HEADER LIPID BINDING PROTEIN 26-MAY-10 SMS20124 TITLE STRUCTURE AND LIPID INTERACTIONS OF AN ANTI-ATHEROGENIC APOLIPOPROTEIN TITLE 2 J PEPTIDE USING SOLUTION NMR COMPND MOL_ID: 1; COMPND 2 MOLECULE: CLUSTERIN BETA CHAIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 135-144; COMPND 5 SYNONYM: APOLIPOPROTEIN J, COMPLEMENT-ASSOCIATED PROTEIN SP-40,40, COMPND 6 COMPLEMENT CYTOLYSIS INHIBITOR, CLI, NA1/NA2, APO-J, APOJALPHA, COMPND 7 COMPLEMENT CYTOLYSIS INHIBITOR A CHAIN; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 4 ORGANISM_COMMON: HUMAN; SOURCE 5 ORGANISM_TAXID: 9606; SOURCE 6 OTHER_DETAILS: CHEMICAL SYNTHESIS KEYWDS APOLIPOPROTEIN J, AMPHIPATHIC HELIX, MICELLES, DODECYLPHOSPHOCHOLINE, KEYWDS 2 LIPID BINDING PROTEIN EXPDTA SOLUTION NMR NUMMDL 101 MDLTYP MINIMIZED AVERAGE AUTHOR V.K.MISHRA JRNL AUTH V.K.MISHRA JRNL TITL STRUCTURE AND LIPID INTERACTIONS OF AN ANTI-ATHEROGENIC JRNL TITL 2 APOLIPOPROTEIN J PEPTIDE USING SOLUTION NMR JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 NULL COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 22-SEP-10. REMARK 100 THE BMRB ID CODE IS SMS20124. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 310 REMARK 210 PH : 5.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 1-2MM APOLIPOPROTEIN J PEPTIDE; REMARK 210 95% H2O/5% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H TOCSY; 2D 1H-1H NOESY; REMARK 210 2D DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : DGSA-DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 200 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 101 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 2 ARG A 5 0.28 SIDE CHAIN REMARK 500 3 ARG A 5 0.20 SIDE CHAIN REMARK 500 4 ARG A 5 0.13 SIDE CHAIN REMARK 500 5 ARG A 5 0.32 SIDE CHAIN REMARK 500 6 ARG A 5 0.11 SIDE CHAIN REMARK 500 7 ARG A 5 0.10 SIDE CHAIN REMARK 500 8 ARG A 5 0.17 SIDE CHAIN REMARK 500 9 ARG A 5 0.20 SIDE CHAIN REMARK 500 10 ARG A 5 0.15 SIDE CHAIN REMARK 500 11 ARG A 5 0.24 SIDE CHAIN REMARK 500 12 ARG A 5 0.30 SIDE CHAIN REMARK 500 13 ARG A 5 0.32 SIDE CHAIN REMARK 500 14 ARG A 5 0.29 SIDE CHAIN REMARK 500 15 ARG A 5 0.13 SIDE CHAIN REMARK 500 16 ARG A 5 0.13 SIDE CHAIN REMARK 500 17 ARG A 5 0.18 SIDE CHAIN REMARK 500 18 ARG A 5 0.26 SIDE CHAIN REMARK 500 19 ARG A 5 0.14 SIDE CHAIN REMARK 500 20 ARG A 5 0.24 SIDE CHAIN REMARK 500 21 ARG A 5 0.31 SIDE CHAIN REMARK 500 22 ARG A 5 0.30 SIDE CHAIN REMARK 500 23 ARG A 5 0.18 SIDE CHAIN REMARK 500 24 ARG A 5 0.22 SIDE CHAIN REMARK 500 25 ARG A 5 0.27 SIDE CHAIN REMARK 500 27 ARG A 5 0.31 SIDE CHAIN REMARK 500 28 ARG A 5 0.11 SIDE CHAIN REMARK 500 29 ARG A 5 0.20 SIDE CHAIN REMARK 500 30 ARG A 5 0.30 SIDE CHAIN REMARK 500 31 ARG A 5 0.18 SIDE CHAIN REMARK 500 32 ARG A 5 0.32 SIDE CHAIN REMARK 500 33 ARG A 5 0.32 SIDE CHAIN REMARK 500 34 ARG A 5 0.32 SIDE CHAIN REMARK 500 35 ARG A 5 0.27 SIDE CHAIN REMARK 500 36 ARG A 5 0.30 SIDE CHAIN REMARK 500 37 ARG A 5 0.23 SIDE CHAIN REMARK 500 38 ARG A 5 0.32 SIDE CHAIN REMARK 500 39 ARG A 5 0.21 SIDE CHAIN REMARK 500 40 ARG A 5 0.22 SIDE CHAIN REMARK 500 41 ARG A 5 0.31 SIDE CHAIN REMARK 500 42 ARG A 5 0.32 SIDE CHAIN REMARK 500 43 ARG A 5 0.19 SIDE CHAIN REMARK 500 44 ARG A 5 0.16 SIDE CHAIN REMARK 500 45 ARG A 5 0.31 SIDE CHAIN REMARK 500 46 ARG A 5 0.28 SIDE CHAIN REMARK 500 47 ARG A 5 0.31 SIDE CHAIN REMARK 500 48 ARG A 5 0.21 SIDE CHAIN REMARK 500 49 ARG A 5 0.32 SIDE CHAIN REMARK 500 50 ARG A 5 0.18 SIDE CHAIN REMARK 500 51 ARG A 5 0.27 SIDE CHAIN REMARK 500 52 ARG A 5 0.29 SIDE CHAIN REMARK 500 REMARK 500 THIS ENTRY HAS 98 PLANE DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 20124 RELATED DB: BMRB DBREF A 2 11 UNP P10909 CLUS_HUMAN 135 144 SEQADV ACE A 1 UNP P10909 ACETYLATION SEQADV NH2 A 12 UNP P10909 AMIDATION SEQRES 1 A 12 ACE LEU VAL GLY ARG GLN LEU GLU GLU PHE LEU NH2 HET ACE A 1 6 HET NH2 A 12 3 HETNAM ACE ACETYL GROUP HETNAM NH2 AMINO GROUP FORMUL 1 ACE C2 H4 O FORMUL 1 NH2 H2 N HELIX 1 1 LEU A 2 LEU A 11 1 10 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1 HETATM 1 C ACE A 1 -0.702 5.587 -4.032 1.00 0.00 C HETATM 2 O ACE A 1 -1.016 5.076 -2.973 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.302 7.062 -4.114 1.00 0.00 C HETATM 4 H1 ACE A 1 -1.135 7.678 -3.809 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.027 7.305 -5.128 1.00 0.00 H HETATM 6 H3 ACE A 1 0.538 7.244 -3.459 1.00 0.00 H ATOM 7 N LEU A 2 -0.691 4.895 -5.138 1.00 0.00 N ATOM 8 CA LEU A 2 -1.072 3.455 -5.115 1.00 0.00 C ATOM 9 C LEU A 2 0.020 2.640 -4.434 1.00 0.00 C ATOM 10 O LEU A 2 -0.245 1.647 -3.789 1.00 0.00 O ATOM 11 CB LEU A 2 -1.215 3.049 -6.582 1.00 0.00 C ATOM 12 CG LEU A 2 -2.693 2.847 -6.910 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.357 4.208 -7.127 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.821 2.003 -8.181 1.00 0.00 C ATOM 15 H LEU A 2 -0.432 5.321 -5.981 1.00 0.00 H ATOM 16 HA LEU A 2 -2.008 3.325 -4.603 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.808 3.826 -7.213 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.680 2.128 -6.755 1.00 0.00 H ATOM 19 HG LEU A 2 -3.177 2.339 -6.087 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.608 4.934 -7.404 1.00 0.00 H ATOM 21 HD12 LEU A 2 -3.841 4.522 -6.213 1.00 0.00 H ATOM 22 HD13 LEU A 2 -4.092 4.128 -7.915 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.790 2.168 -8.627 1.00 0.00 H ATOM 24 HD22 LEU A 2 -2.715 0.957 -7.930 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.048 2.286 -8.880 1.00 0.00 H ATOM 26 N VAL A 3 1.243 3.057 -4.555 1.00 0.00 N ATOM 27 CA VAL A 3 2.339 2.307 -3.889 1.00 0.00 C ATOM 28 C VAL A 3 2.243 2.533 -2.380 1.00 0.00 C ATOM 29 O VAL A 3 2.592 1.682 -1.581 1.00 0.00 O ATOM 30 CB VAL A 3 3.627 2.905 -4.454 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.719 1.836 -4.471 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.372 3.396 -5.882 1.00 0.00 C ATOM 33 H VAL A 3 1.439 3.869 -5.069 1.00 0.00 H ATOM 34 HA VAL A 3 2.279 1.256 -4.122 1.00 0.00 H ATOM 35 HB VAL A 3 3.942 3.734 -3.836 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.448 2.078 -5.231 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.277 0.874 -4.689 1.00 0.00 H ATOM 38 HG13 VAL A 3 5.202 1.799 -3.506 1.00 0.00 H ATOM 39 HG21 VAL A 3 2.640 2.758 -6.354 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.294 3.364 -6.444 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.002 4.410 -5.854 1.00 0.00 H ATOM 42 N GLY A 4 1.743 3.675 -1.990 1.00 0.00 N ATOM 43 CA GLY A 4 1.600 3.972 -0.538 1.00 0.00 C ATOM 44 C GLY A 4 0.406 3.197 0.009 1.00 0.00 C ATOM 45 O GLY A 4 0.458 2.634 1.085 1.00 0.00 O ATOM 46 H GLY A 4 1.448 4.332 -2.656 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.498 3.672 -0.018 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.435 5.030 -0.399 1.00 0.00 H ATOM 49 N ARG A 5 -0.671 3.152 -0.729 1.00 0.00 N ATOM 50 CA ARG A 5 -1.862 2.398 -0.250 1.00 0.00 C ATOM 51 C ARG A 5 -1.568 0.901 -0.296 1.00 0.00 C ATOM 52 O ARG A 5 -1.846 0.175 0.637 1.00 0.00 O ATOM 53 CB ARG A 5 -2.990 2.757 -1.216 1.00 0.00 C ATOM 54 CG ARG A 5 -4.217 3.200 -0.415 1.00 0.00 C ATOM 55 CD ARG A 5 -5.397 3.415 -1.365 1.00 0.00 C ATOM 56 NE ARG A 5 -6.517 3.856 -0.489 1.00 0.00 N ATOM 57 CZ ARG A 5 -7.596 4.364 -1.019 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.662 4.560 -2.308 1.00 0.00 N ATOM 59 NH2 ARG A 5 -8.610 4.675 -0.262 1.00 0.00 N ATOM 60 H ARG A 5 -0.692 3.606 -1.599 1.00 0.00 H ATOM 61 HA ARG A 5 -2.122 2.701 0.752 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.669 3.562 -1.863 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.243 1.893 -1.812 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.468 2.437 0.308 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.997 4.123 0.098 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.159 4.182 -2.090 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.655 2.493 -1.861 1.00 0.00 H ATOM 68 HE ARG A 5 -6.443 3.764 0.484 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.885 4.322 -2.890 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.489 4.948 -2.713 1.00 0.00 H ATOM 71 HH21 ARG A 5 -8.562 4.524 0.727 1.00 0.00 H ATOM 72 HH22 ARG A 5 -9.437 5.063 -0.667 1.00 0.00 H ATOM 73 N GLN A 6 -0.991 0.432 -1.369 1.00 0.00 N ATOM 74 CA GLN A 6 -0.665 -1.016 -1.452 1.00 0.00 C ATOM 75 C GLN A 6 0.240 -1.377 -0.277 1.00 0.00 C ATOM 76 O GLN A 6 0.005 -2.336 0.431 1.00 0.00 O ATOM 77 CB GLN A 6 0.065 -1.201 -2.785 1.00 0.00 C ATOM 78 CG GLN A 6 -0.528 -2.400 -3.530 1.00 0.00 C ATOM 79 CD GLN A 6 0.383 -2.780 -4.699 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.962 -1.924 -5.335 1.00 0.00 O ATOM 81 NE2 GLN A 6 0.537 -4.039 -5.008 1.00 0.00 N ATOM 82 H GLN A 6 -0.760 1.033 -2.107 1.00 0.00 H ATOM 83 HA GLN A 6 -1.567 -1.608 -1.434 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.048 -0.310 -3.385 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.114 -1.380 -2.599 1.00 0.00 H ATOM 86 HG2 GLN A 6 -0.615 -3.237 -2.853 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.506 -2.140 -3.909 1.00 0.00 H ATOM 88 HE21 GLN A 6 0.070 -4.731 -4.495 1.00 0.00 H ATOM 89 HE22 GLN A 6 1.119 -4.293 -5.755 1.00 0.00 H ATOM 90 N LEU A 7 1.268 -0.600 -0.050 1.00 0.00 N ATOM 91 CA LEU A 7 2.174 -0.892 1.097 1.00 0.00 C ATOM 92 C LEU A 7 1.383 -0.856 2.406 1.00 0.00 C ATOM 93 O LEU A 7 1.492 -1.740 3.235 1.00 0.00 O ATOM 94 CB LEU A 7 3.220 0.220 1.071 1.00 0.00 C ATOM 95 CG LEU A 7 4.564 -0.344 1.528 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.426 -0.660 0.304 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.279 0.687 2.402 1.00 0.00 C ATOM 98 H LEU A 7 1.437 0.181 -0.626 1.00 0.00 H ATOM 99 HA LEU A 7 2.649 -1.851 0.968 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.311 0.607 0.067 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.919 1.014 1.738 1.00 0.00 H ATOM 102 HG LEU A 7 4.399 -1.250 2.095 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.996 -1.491 -0.234 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.425 -0.915 0.625 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.464 0.205 -0.341 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.908 1.308 1.784 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.886 0.177 3.136 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.547 1.302 2.905 1.00 0.00 H ATOM 109 N GLU A 8 0.576 0.155 2.598 1.00 0.00 N ATOM 110 CA GLU A 8 -0.230 0.235 3.848 1.00 0.00 C ATOM 111 C GLU A 8 -1.194 -0.946 3.890 1.00 0.00 C ATOM 112 O GLU A 8 -1.607 -1.394 4.941 1.00 0.00 O ATOM 113 CB GLU A 8 -0.993 1.556 3.753 1.00 0.00 C ATOM 114 CG GLU A 8 -1.157 2.151 5.154 1.00 0.00 C ATOM 115 CD GLU A 8 -0.938 3.663 5.096 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.847 4.358 4.673 1.00 0.00 O ATOM 117 OE2 GLU A 8 0.136 4.102 5.476 1.00 0.00 O ATOM 118 H GLU A 8 0.491 0.851 1.915 1.00 0.00 H ATOM 119 HA GLU A 8 0.413 0.235 4.715 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.442 2.246 3.131 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.967 1.380 3.322 1.00 0.00 H ATOM 122 HG2 GLU A 8 -2.153 1.944 5.519 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.432 1.709 5.821 1.00 0.00 H ATOM 124 N GLU A 9 -1.540 -1.460 2.744 1.00 0.00 N ATOM 125 CA GLU A 9 -2.461 -2.629 2.696 1.00 0.00 C ATOM 126 C GLU A 9 -1.651 -3.910 2.886 1.00 0.00 C ATOM 127 O GLU A 9 -2.177 -4.955 3.215 1.00 0.00 O ATOM 128 CB GLU A 9 -3.084 -2.588 1.301 1.00 0.00 C ATOM 129 CG GLU A 9 -4.503 -3.155 1.355 1.00 0.00 C ATOM 130 CD GLU A 9 -5.497 -2.017 1.595 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.065 -0.963 2.031 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.672 -2.219 1.339 1.00 0.00 O ATOM 133 H GLU A 9 -1.179 -1.085 1.912 1.00 0.00 H ATOM 134 HA GLU A 9 -3.226 -2.543 3.450 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.116 -1.566 0.951 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.488 -3.181 0.623 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.732 -3.644 0.419 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.575 -3.869 2.163 1.00 0.00 H ATOM 139 N PHE A 10 -0.364 -3.824 2.687 1.00 0.00 N ATOM 140 CA PHE A 10 0.509 -5.018 2.856 1.00 0.00 C ATOM 141 C PHE A 10 1.106 -5.025 4.266 1.00 0.00 C ATOM 142 O PHE A 10 1.636 -6.017 4.723 1.00 0.00 O ATOM 143 CB PHE A 10 1.609 -4.843 1.808 1.00 0.00 C ATOM 144 CG PHE A 10 1.894 -6.165 1.136 1.00 0.00 C ATOM 145 CD1 PHE A 10 0.950 -6.730 0.270 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.105 -6.823 1.375 1.00 0.00 C ATOM 147 CE1 PHE A 10 1.219 -7.953 -0.357 1.00 0.00 C ATOM 148 CE2 PHE A 10 3.374 -8.046 0.750 1.00 0.00 C ATOM 149 CZ PHE A 10 2.431 -8.611 -0.117 1.00 0.00 C ATOM 150 H PHE A 10 0.031 -2.966 2.428 1.00 0.00 H ATOM 151 HA PHE A 10 -0.043 -5.925 2.670 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.287 -4.127 1.067 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.508 -4.484 2.287 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.015 -6.222 0.085 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.832 -6.387 2.045 1.00 0.00 H ATOM 156 HE1 PHE A 10 0.491 -8.388 -1.027 1.00 0.00 H ATOM 157 HE2 PHE A 10 4.310 -8.553 0.936 1.00 0.00 H ATOM 158 HZ PHE A 10 2.639 -9.554 -0.602 1.00 0.00 H ATOM 159 N LEU A 11 1.022 -3.919 4.957 1.00 0.00 N ATOM 160 CA LEU A 11 1.584 -3.857 6.337 1.00 0.00 C ATOM 161 C LEU A 11 0.456 -3.705 7.362 1.00 0.00 C ATOM 162 O LEU A 11 0.404 -2.736 8.091 1.00 0.00 O ATOM 163 CB LEU A 11 2.485 -2.622 6.343 1.00 0.00 C ATOM 164 CG LEU A 11 3.791 -2.948 7.067 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.963 -2.821 6.093 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.989 -1.967 8.225 1.00 0.00 C ATOM 167 H LEU A 11 0.590 -3.128 4.566 1.00 0.00 H ATOM 168 HA LEU A 11 2.167 -4.740 6.545 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.699 -2.329 5.324 1.00 0.00 H ATOM 170 HB3 LEU A 11 1.984 -1.814 6.854 1.00 0.00 H ATOM 171 HG LEU A 11 3.748 -3.957 7.450 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.720 -2.096 5.330 1.00 0.00 H ATOM 173 HD12 LEU A 11 5.154 -3.778 5.630 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.843 -2.498 6.628 1.00 0.00 H ATOM 175 HD21 LEU A 11 5.025 -1.978 8.531 1.00 0.00 H ATOM 176 HD22 LEU A 11 3.365 -2.259 9.056 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.720 -0.973 7.904 1.00 0.00 H HETATM 178 N NH2 A 12 -0.456 -4.635 7.447 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.415 -5.417 6.859 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -1.182 -4.551 8.101 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 2 HETATM 1 C ACE A 1 -0.451 5.784 -3.938 1.00 0.00 C HETATM 2 O ACE A 1 -0.805 5.212 -2.926 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.105 7.210 -3.892 1.00 0.00 C HETATM 4 H1 ACE A 1 0.231 7.511 -2.862 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.583 7.881 -4.381 1.00 0.00 H HETATM 6 H3 ACE A 1 1.059 7.240 -4.396 1.00 0.00 H ATOM 7 N LEU A 2 -0.522 5.201 -5.104 1.00 0.00 N ATOM 8 CA LEU A 2 -1.046 3.813 -5.202 1.00 0.00 C ATOM 9 C LEU A 2 -0.085 2.870 -4.483 1.00 0.00 C ATOM 10 O LEU A 2 -0.487 1.927 -3.831 1.00 0.00 O ATOM 11 CB LEU A 2 -1.101 3.511 -6.700 1.00 0.00 C ATOM 12 CG LEU A 2 -2.236 4.316 -7.341 1.00 0.00 C ATOM 13 CD1 LEU A 2 -1.671 5.219 -8.440 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.257 3.353 -7.949 1.00 0.00 C ATOM 15 H LEU A 2 -0.222 5.671 -5.908 1.00 0.00 H ATOM 16 HA LEU A 2 -2.032 3.748 -4.770 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.162 3.784 -7.157 1.00 0.00 H ATOM 18 HB3 LEU A 2 -1.282 2.457 -6.848 1.00 0.00 H ATOM 19 HG LEU A 2 -2.716 4.924 -6.589 1.00 0.00 H ATOM 20 HD11 LEU A 2 -1.721 4.705 -9.389 1.00 0.00 H ATOM 21 HD12 LEU A 2 -0.643 5.459 -8.214 1.00 0.00 H ATOM 22 HD13 LEU A 2 -2.251 6.128 -8.492 1.00 0.00 H ATOM 23 HD21 LEU A 2 -2.933 3.063 -8.938 1.00 0.00 H ATOM 24 HD22 LEU A 2 -4.219 3.841 -8.014 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.339 2.475 -7.325 1.00 0.00 H ATOM 26 N VAL A 3 1.186 3.141 -4.579 1.00 0.00 N ATOM 27 CA VAL A 3 2.182 2.284 -3.880 1.00 0.00 C ATOM 28 C VAL A 3 2.027 2.477 -2.374 1.00 0.00 C ATOM 29 O VAL A 3 2.314 1.597 -1.588 1.00 0.00 O ATOM 30 CB VAL A 3 3.547 2.788 -4.352 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.637 4.300 -4.135 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.651 2.091 -3.552 1.00 0.00 C ATOM 33 H VAL A 3 1.482 3.922 -5.094 1.00 0.00 H ATOM 34 HA VAL A 3 2.051 1.248 -4.149 1.00 0.00 H ATOM 35 HB VAL A 3 3.666 2.568 -5.402 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.675 4.591 -4.062 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.124 4.565 -3.222 1.00 0.00 H ATOM 38 HG13 VAL A 3 3.177 4.811 -4.968 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.999 1.225 -4.098 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.261 1.778 -2.595 1.00 0.00 H ATOM 41 HG23 VAL A 3 5.473 2.774 -3.400 1.00 0.00 H ATOM 42 N GLY A 4 1.558 3.626 -1.973 1.00 0.00 N ATOM 43 CA GLY A 4 1.364 3.886 -0.523 1.00 0.00 C ATOM 44 C GLY A 4 0.155 3.088 -0.049 1.00 0.00 C ATOM 45 O GLY A 4 0.192 2.433 0.970 1.00 0.00 O ATOM 46 H GLY A 4 1.320 4.312 -2.630 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.243 3.579 0.023 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.184 4.938 -0.363 1.00 0.00 H ATOM 49 N ARG A 5 -0.916 3.127 -0.792 1.00 0.00 N ATOM 50 CA ARG A 5 -2.126 2.356 -0.392 1.00 0.00 C ATOM 51 C ARG A 5 -1.799 0.861 -0.384 1.00 0.00 C ATOM 52 O ARG A 5 -2.132 0.144 0.539 1.00 0.00 O ATOM 53 CB ARG A 5 -3.172 2.671 -1.462 1.00 0.00 C ATOM 54 CG ARG A 5 -4.022 3.860 -1.012 1.00 0.00 C ATOM 55 CD ARG A 5 -3.127 5.084 -0.820 1.00 0.00 C ATOM 56 NE ARG A 5 -4.070 6.223 -0.657 1.00 0.00 N ATOM 57 CZ ARG A 5 -3.629 7.378 -0.245 1.00 0.00 C ATOM 58 NH1 ARG A 5 -2.762 8.040 -0.961 1.00 0.00 N ATOM 59 NH2 ARG A 5 -4.053 7.871 0.884 1.00 0.00 N ATOM 60 H ARG A 5 -0.919 3.657 -1.621 1.00 0.00 H ATOM 61 HA ARG A 5 -2.477 2.676 0.577 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.676 2.915 -2.390 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.808 1.812 -1.608 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.769 4.074 -1.762 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.508 3.622 -0.077 1.00 0.00 H ATOM 66 HD2 ARG A 5 -2.518 4.967 0.066 1.00 0.00 H ATOM 67 HD3 ARG A 5 -2.507 5.238 -1.689 1.00 0.00 H ATOM 68 HE ARG A 5 -5.021 6.103 -0.859 1.00 0.00 H ATOM 69 HH11 ARG A 5 -2.436 7.662 -1.827 1.00 0.00 H ATOM 70 HH12 ARG A 5 -2.424 8.925 -0.643 1.00 0.00 H ATOM 71 HH21 ARG A 5 -4.716 7.361 1.435 1.00 0.00 H ATOM 72 HH22 ARG A 5 -3.719 8.757 1.202 1.00 0.00 H ATOM 73 N GLN A 6 -1.141 0.392 -1.408 1.00 0.00 N ATOM 74 CA GLN A 6 -0.781 -1.052 -1.468 1.00 0.00 C ATOM 75 C GLN A 6 0.151 -1.413 -0.309 1.00 0.00 C ATOM 76 O GLN A 6 -0.164 -2.248 0.518 1.00 0.00 O ATOM 77 CB GLN A 6 -0.068 -1.221 -2.810 1.00 0.00 C ATOM 78 CG GLN A 6 0.426 -2.660 -2.949 1.00 0.00 C ATOM 79 CD GLN A 6 1.876 -2.658 -3.430 1.00 0.00 C ATOM 80 OE1 GLN A 6 2.280 -1.785 -4.173 1.00 0.00 O ATOM 81 NE2 GLN A 6 2.684 -3.603 -3.035 1.00 0.00 N ATOM 82 H GLN A 6 -0.879 0.992 -2.137 1.00 0.00 H ATOM 83 HA GLN A 6 -1.669 -1.664 -1.444 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.754 -0.995 -3.612 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.775 -0.548 -2.856 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.365 -3.156 -1.990 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.189 -3.184 -3.665 1.00 0.00 H ATOM 88 HE21 GLN A 6 2.359 -4.306 -2.435 1.00 0.00 H ATOM 89 HE22 GLN A 6 3.615 -3.610 -3.340 1.00 0.00 H ATOM 90 N LEU A 7 1.298 -0.791 -0.231 1.00 0.00 N ATOM 91 CA LEU A 7 2.227 -1.115 0.887 1.00 0.00 C ATOM 92 C LEU A 7 1.477 -1.043 2.216 1.00 0.00 C ATOM 93 O LEU A 7 1.647 -1.880 3.081 1.00 0.00 O ATOM 94 CB LEU A 7 3.329 -0.057 0.827 1.00 0.00 C ATOM 95 CG LEU A 7 4.693 -0.743 0.910 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.743 0.118 0.208 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.081 -0.928 2.378 1.00 0.00 C ATOM 98 H LEU A 7 1.542 -0.119 -0.901 1.00 0.00 H ATOM 99 HA LEU A 7 2.649 -2.097 0.749 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.255 0.486 -0.104 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.220 0.626 1.654 1.00 0.00 H ATOM 102 HG LEU A 7 4.638 -1.709 0.426 1.00 0.00 H ATOM 103 HD11 LEU A 7 6.646 0.137 0.799 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.367 1.123 0.092 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.959 -0.299 -0.765 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.703 -0.104 2.692 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.622 -1.854 2.493 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.188 -0.955 2.985 1.00 0.00 H ATOM 109 N GLU A 8 0.632 -0.064 2.381 1.00 0.00 N ATOM 110 CA GLU A 8 -0.138 0.032 3.649 1.00 0.00 C ATOM 111 C GLU A 8 -1.074 -1.167 3.744 1.00 0.00 C ATOM 112 O GLU A 8 -1.406 -1.632 4.816 1.00 0.00 O ATOM 113 CB GLU A 8 -0.929 1.334 3.547 1.00 0.00 C ATOM 114 CG GLU A 8 -1.093 1.942 4.941 1.00 0.00 C ATOM 115 CD GLU A 8 -0.831 3.448 4.874 1.00 0.00 C ATOM 116 OE1 GLU A 8 0.256 3.821 4.462 1.00 0.00 O ATOM 117 OE2 GLU A 8 -1.718 4.203 5.232 1.00 0.00 O ATOM 118 H GLU A 8 0.492 0.594 1.668 1.00 0.00 H ATOM 119 HA GLU A 8 0.527 0.062 4.497 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.398 2.027 2.914 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.903 1.134 3.127 1.00 0.00 H ATOM 122 HG2 GLU A 8 -2.100 1.767 5.294 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.388 1.486 5.619 1.00 0.00 H ATOM 124 N GLU A 9 -1.484 -1.684 2.619 1.00 0.00 N ATOM 125 CA GLU A 9 -2.382 -2.870 2.635 1.00 0.00 C ATOM 126 C GLU A 9 -1.582 -4.086 3.095 1.00 0.00 C ATOM 127 O GLU A 9 -2.109 -5.007 3.687 1.00 0.00 O ATOM 128 CB GLU A 9 -2.856 -3.042 1.191 1.00 0.00 C ATOM 129 CG GLU A 9 -4.324 -2.627 1.085 1.00 0.00 C ATOM 130 CD GLU A 9 -4.444 -1.116 1.288 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.287 -0.676 2.415 1.00 0.00 O ATOM 132 OE2 GLU A 9 -4.693 -0.425 0.315 1.00 0.00 O ATOM 133 H GLU A 9 -1.186 -1.300 1.765 1.00 0.00 H ATOM 134 HA GLU A 9 -3.223 -2.700 3.287 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.257 -2.423 0.539 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.755 -4.077 0.900 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.702 -2.892 0.108 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.898 -3.137 1.844 1.00 0.00 H ATOM 139 N PHE A 10 -0.303 -4.082 2.838 1.00 0.00 N ATOM 140 CA PHE A 10 0.551 -5.223 3.273 1.00 0.00 C ATOM 141 C PHE A 10 1.174 -4.908 4.634 1.00 0.00 C ATOM 142 O PHE A 10 1.742 -5.762 5.285 1.00 0.00 O ATOM 143 CB PHE A 10 1.637 -5.337 2.200 1.00 0.00 C ATOM 144 CG PHE A 10 2.269 -6.706 2.262 1.00 0.00 C ATOM 145 CD1 PHE A 10 3.170 -7.016 3.289 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.960 -7.663 1.289 1.00 0.00 C ATOM 147 CE1 PHE A 10 3.759 -8.285 3.341 1.00 0.00 C ATOM 148 CE2 PHE A 10 2.550 -8.931 1.341 1.00 0.00 C ATOM 149 CZ PHE A 10 3.449 -9.242 2.368 1.00 0.00 C ATOM 150 H PHE A 10 0.100 -3.318 2.368 1.00 0.00 H ATOM 151 HA PHE A 10 -0.025 -6.133 3.318 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.196 -5.188 1.225 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.392 -4.585 2.373 1.00 0.00 H ATOM 154 HD1 PHE A 10 3.409 -6.279 4.039 1.00 0.00 H ATOM 155 HD2 PHE A 10 1.265 -7.422 0.497 1.00 0.00 H ATOM 156 HE1 PHE A 10 4.453 -8.526 4.133 1.00 0.00 H ATOM 157 HE2 PHE A 10 2.310 -9.668 0.590 1.00 0.00 H ATOM 158 HZ PHE A 10 3.903 -10.222 2.409 1.00 0.00 H ATOM 159 N LEU A 11 1.071 -3.680 5.070 1.00 0.00 N ATOM 160 CA LEU A 11 1.657 -3.299 6.388 1.00 0.00 C ATOM 161 C LEU A 11 0.546 -3.155 7.435 1.00 0.00 C ATOM 162 O LEU A 11 -0.453 -3.845 7.381 1.00 0.00 O ATOM 163 CB LEU A 11 2.345 -1.954 6.133 1.00 0.00 C ATOM 164 CG LEU A 11 3.827 -2.049 6.511 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.960 -2.648 7.912 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.559 -2.939 5.500 1.00 0.00 C ATOM 167 H LEU A 11 0.606 -3.006 4.526 1.00 0.00 H ATOM 168 HA LEU A 11 2.382 -4.031 6.704 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.257 -1.698 5.087 1.00 0.00 H ATOM 170 HB3 LEU A 11 1.873 -1.188 6.729 1.00 0.00 H ATOM 171 HG LEU A 11 4.262 -1.060 6.503 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.460 -1.943 8.560 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.536 -3.561 7.860 1.00 0.00 H ATOM 174 HD13 LEU A 11 2.978 -2.863 8.307 1.00 0.00 H ATOM 175 HD21 LEU A 11 5.000 -2.324 4.731 1.00 0.00 H ATOM 176 HD22 LEU A 11 3.858 -3.628 5.052 1.00 0.00 H ATOM 177 HD23 LEU A 11 5.335 -3.495 6.006 1.00 0.00 H HETATM 178 N NH2 A 12 0.679 -2.282 8.396 1.00 0.00 N HETATM 179 HN1 NH2 A 12 1.482 -1.724 8.445 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.027 -2.184 9.069 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 3 HETATM 1 C ACE A 1 -0.623 5.483 -4.082 1.00 0.00 C HETATM 2 O ACE A 1 -1.152 4.919 -3.143 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.263 6.968 -4.016 1.00 0.00 C HETATM 4 H1 ACE A 1 0.456 7.130 -3.225 1.00 0.00 H HETATM 5 H2 ACE A 1 -1.153 7.546 -3.816 1.00 0.00 H HETATM 6 H3 ACE A 1 0.163 7.278 -4.959 1.00 0.00 H ATOM 7 N LEU A 2 -0.336 4.841 -5.182 1.00 0.00 N ATOM 8 CA LEU A 2 -0.659 3.392 -5.301 1.00 0.00 C ATOM 9 C LEU A 2 0.280 2.585 -4.411 1.00 0.00 C ATOM 10 O LEU A 2 -0.118 1.634 -3.767 1.00 0.00 O ATOM 11 CB LEU A 2 -0.434 3.052 -6.775 1.00 0.00 C ATOM 12 CG LEU A 2 -1.748 3.207 -7.542 1.00 0.00 C ATOM 13 CD1 LEU A 2 -1.454 3.340 -9.038 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.625 1.975 -7.305 1.00 0.00 C ATOM 15 H LEU A 2 0.097 5.310 -5.924 1.00 0.00 H ATOM 16 HA LEU A 2 -1.686 3.211 -5.029 1.00 0.00 H ATOM 17 HB2 LEU A 2 0.307 3.720 -7.189 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.088 2.032 -6.861 1.00 0.00 H ATOM 19 HG LEU A 2 -2.264 4.091 -7.197 1.00 0.00 H ATOM 20 HD11 LEU A 2 -1.103 2.394 -9.422 1.00 0.00 H ATOM 21 HD12 LEU A 2 -0.694 4.093 -9.189 1.00 0.00 H ATOM 22 HD13 LEU A 2 -2.355 3.628 -9.558 1.00 0.00 H ATOM 23 HD21 LEU A 2 -2.099 1.090 -7.633 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.544 2.074 -7.863 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.849 1.890 -6.252 1.00 0.00 H ATOM 26 N VAL A 3 1.524 2.967 -4.359 1.00 0.00 N ATOM 27 CA VAL A 3 2.489 2.231 -3.497 1.00 0.00 C ATOM 28 C VAL A 3 2.178 2.519 -2.028 1.00 0.00 C ATOM 29 O VAL A 3 2.500 1.745 -1.147 1.00 0.00 O ATOM 30 CB VAL A 3 3.864 2.781 -3.877 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.932 4.270 -3.531 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.945 2.029 -3.098 1.00 0.00 C ATOM 33 H VAL A 3 1.820 3.743 -4.879 1.00 0.00 H ATOM 34 HA VAL A 3 2.444 1.171 -3.696 1.00 0.00 H ATOM 35 HB VAL A 3 4.023 2.650 -4.937 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.143 4.387 -2.479 1.00 0.00 H ATOM 37 HG12 VAL A 3 2.984 4.736 -3.762 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.714 4.738 -4.110 1.00 0.00 H ATOM 39 HG21 VAL A 3 5.743 1.748 -3.769 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.518 1.141 -2.656 1.00 0.00 H ATOM 41 HG23 VAL A 3 5.337 2.666 -2.320 1.00 0.00 H ATOM 42 N GLY A 4 1.540 3.627 -1.762 1.00 0.00 N ATOM 43 CA GLY A 4 1.194 3.972 -0.355 1.00 0.00 C ATOM 44 C GLY A 4 -0.025 3.159 0.071 1.00 0.00 C ATOM 45 O GLY A 4 -0.051 2.570 1.133 1.00 0.00 O ATOM 46 H GLY A 4 1.280 4.229 -2.492 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.030 3.740 0.289 1.00 0.00 H ATOM 48 HA3 GLY A 4 0.965 5.024 -0.287 1.00 0.00 H ATOM 49 N ARG A 5 -1.035 3.115 -0.755 1.00 0.00 N ATOM 50 CA ARG A 5 -2.248 2.327 -0.397 1.00 0.00 C ATOM 51 C ARG A 5 -1.908 0.835 -0.390 1.00 0.00 C ATOM 52 O ARG A 5 -2.255 0.111 0.522 1.00 0.00 O ATOM 53 CB ARG A 5 -3.266 2.644 -1.494 1.00 0.00 C ATOM 54 CG ARG A 5 -3.735 4.093 -1.351 1.00 0.00 C ATOM 55 CD ARG A 5 -5.028 4.294 -2.147 1.00 0.00 C ATOM 56 NE ARG A 5 -5.385 5.725 -1.943 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.598 6.050 -1.585 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.620 5.431 -2.110 1.00 0.00 N ATOM 59 NH2 ARG A 5 -6.787 6.994 -0.705 1.00 0.00 N ATOM 60 H ARG A 5 -0.992 3.593 -1.612 1.00 0.00 H ATOM 61 HA ARG A 5 -2.630 2.634 0.564 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.806 2.507 -2.462 1.00 0.00 H ATOM 63 HB3 ARG A 5 -4.114 1.982 -1.400 1.00 0.00 H ATOM 64 HG2 ARG A 5 -3.916 4.312 -0.309 1.00 0.00 H ATOM 65 HG3 ARG A 5 -2.974 4.758 -1.732 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.857 4.091 -3.196 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.810 3.658 -1.761 1.00 0.00 H ATOM 68 HE ARG A 5 -4.710 6.423 -2.076 1.00 0.00 H ATOM 69 HH11 ARG A 5 -7.475 4.707 -2.785 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.549 5.680 -1.837 1.00 0.00 H ATOM 71 HH21 ARG A 5 -6.003 7.468 -0.303 1.00 0.00 H ATOM 72 HH22 ARG A 5 -7.716 7.244 -0.432 1.00 0.00 H ATOM 73 N GLN A 6 -1.224 0.373 -1.402 1.00 0.00 N ATOM 74 CA GLN A 6 -0.854 -1.069 -1.458 1.00 0.00 C ATOM 75 C GLN A 6 0.127 -1.403 -0.330 1.00 0.00 C ATOM 76 O GLN A 6 -0.057 -2.354 0.403 1.00 0.00 O ATOM 77 CB GLN A 6 -0.188 -1.254 -2.821 1.00 0.00 C ATOM 78 CG GLN A 6 -0.499 -2.652 -3.356 1.00 0.00 C ATOM 79 CD GLN A 6 0.637 -3.113 -4.272 1.00 0.00 C ATOM 80 OE1 GLN A 6 1.576 -2.380 -4.510 1.00 0.00 O ATOM 81 NE2 GLN A 6 0.590 -4.304 -4.800 1.00 0.00 N ATOM 82 H GLN A 6 -0.952 0.977 -2.124 1.00 0.00 H ATOM 83 HA GLN A 6 -1.733 -1.687 -1.389 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.567 -0.512 -3.510 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.880 -1.139 -2.720 1.00 0.00 H ATOM 86 HG2 GLN A 6 -0.596 -3.341 -2.528 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.422 -2.628 -3.914 1.00 0.00 H ATOM 88 HE21 GLN A 6 -0.168 -4.896 -4.609 1.00 0.00 H ATOM 89 HE22 GLN A 6 1.312 -4.609 -5.389 1.00 0.00 H ATOM 90 N LEU A 7 1.168 -0.627 -0.181 1.00 0.00 N ATOM 91 CA LEU A 7 2.152 -0.907 0.903 1.00 0.00 C ATOM 92 C LEU A 7 1.470 -0.798 2.270 1.00 0.00 C ATOM 93 O LEU A 7 1.625 -1.651 3.124 1.00 0.00 O ATOM 94 CB LEU A 7 3.229 0.168 0.750 1.00 0.00 C ATOM 95 CG LEU A 7 4.296 -0.022 1.830 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.672 0.325 1.256 1.00 0.00 C ATOM 97 CD2 LEU A 7 3.991 0.901 3.013 1.00 0.00 C ATOM 98 H LEU A 7 1.302 0.139 -0.780 1.00 0.00 H ATOM 99 HA LEU A 7 2.585 -1.886 0.776 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.684 0.085 -0.225 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.782 1.144 0.857 1.00 0.00 H ATOM 102 HG LEU A 7 4.294 -1.050 2.162 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.802 -0.176 0.308 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.439 0.002 1.943 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.742 1.393 1.111 1.00 0.00 H ATOM 106 HD21 LEU A 7 2.955 0.791 3.296 1.00 0.00 H ATOM 107 HD22 LEU A 7 4.182 1.925 2.728 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.623 0.635 3.848 1.00 0.00 H ATOM 109 N GLU A 8 0.705 0.239 2.479 1.00 0.00 N ATOM 110 CA GLU A 8 0.006 0.393 3.783 1.00 0.00 C ATOM 111 C GLU A 8 -1.016 -0.729 3.941 1.00 0.00 C ATOM 112 O GLU A 8 -1.388 -1.100 5.037 1.00 0.00 O ATOM 113 CB GLU A 8 -0.691 1.753 3.707 1.00 0.00 C ATOM 114 CG GLU A 8 -1.094 2.199 5.113 1.00 0.00 C ATOM 115 CD GLU A 8 -2.343 1.433 5.553 1.00 0.00 C ATOM 116 OE1 GLU A 8 -3.172 1.155 4.703 1.00 0.00 O ATOM 117 OE2 GLU A 8 -2.449 1.139 6.732 1.00 0.00 O ATOM 118 H GLU A 8 0.584 0.908 1.774 1.00 0.00 H ATOM 119 HA GLU A 8 0.714 0.381 4.597 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.015 2.479 3.277 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.573 1.672 3.090 1.00 0.00 H ATOM 122 HG2 GLU A 8 -0.285 1.997 5.801 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.307 3.257 5.108 1.00 0.00 H ATOM 124 N GLU A 9 -1.463 -1.279 2.846 1.00 0.00 N ATOM 125 CA GLU A 9 -2.454 -2.388 2.922 1.00 0.00 C ATOM 126 C GLU A 9 -1.721 -3.725 3.025 1.00 0.00 C ATOM 127 O GLU A 9 -2.291 -4.734 3.392 1.00 0.00 O ATOM 128 CB GLU A 9 -3.249 -2.304 1.619 1.00 0.00 C ATOM 129 CG GLU A 9 -4.218 -1.123 1.687 1.00 0.00 C ATOM 130 CD GLU A 9 -5.378 -1.468 2.622 1.00 0.00 C ATOM 131 OE1 GLU A 9 -6.163 -2.332 2.266 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.462 -0.862 3.678 1.00 0.00 O ATOM 133 H GLU A 9 -1.140 -0.965 1.973 1.00 0.00 H ATOM 134 HA GLU A 9 -3.109 -2.251 3.767 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.568 -2.166 0.791 1.00 0.00 H ATOM 136 HB3 GLU A 9 -3.807 -3.218 1.478 1.00 0.00 H ATOM 137 HG2 GLU A 9 -3.699 -0.253 2.062 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.603 -0.915 0.700 1.00 0.00 H ATOM 139 N PHE A 10 -0.455 -3.736 2.713 1.00 0.00 N ATOM 140 CA PHE A 10 0.326 -5.002 2.800 1.00 0.00 C ATOM 141 C PHE A 10 1.094 -5.043 4.121 1.00 0.00 C ATOM 142 O PHE A 10 1.595 -6.072 4.530 1.00 0.00 O ATOM 143 CB PHE A 10 1.292 -4.956 1.616 1.00 0.00 C ATOM 144 CG PHE A 10 0.798 -5.877 0.526 1.00 0.00 C ATOM 145 CD1 PHE A 10 -0.453 -5.657 -0.063 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.592 -6.950 0.105 1.00 0.00 C ATOM 147 CE1 PHE A 10 -0.909 -6.512 -1.073 1.00 0.00 C ATOM 148 CE2 PHE A 10 1.135 -7.805 -0.905 1.00 0.00 C ATOM 149 CZ PHE A 10 -0.116 -7.586 -1.494 1.00 0.00 C ATOM 150 H PHE A 10 -0.014 -2.909 2.427 1.00 0.00 H ATOM 151 HA PHE A 10 -0.327 -5.857 2.713 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.347 -3.945 1.237 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.272 -5.273 1.938 1.00 0.00 H ATOM 154 HD1 PHE A 10 -1.064 -4.830 0.261 1.00 0.00 H ATOM 155 HD2 PHE A 10 2.557 -7.119 0.559 1.00 0.00 H ATOM 156 HE1 PHE A 10 -1.875 -6.343 -1.528 1.00 0.00 H ATOM 157 HE2 PHE A 10 1.748 -8.634 -1.230 1.00 0.00 H ATOM 158 HZ PHE A 10 -0.468 -8.245 -2.273 1.00 0.00 H ATOM 159 N LEU A 11 1.190 -3.927 4.793 1.00 0.00 N ATOM 160 CA LEU A 11 1.925 -3.898 6.090 1.00 0.00 C ATOM 161 C LEU A 11 1.135 -3.098 7.128 1.00 0.00 C ATOM 162 O LEU A 11 1.663 -2.207 7.764 1.00 0.00 O ATOM 163 CB LEU A 11 3.253 -3.206 5.778 1.00 0.00 C ATOM 164 CG LEU A 11 4.312 -4.258 5.446 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.461 -4.372 3.927 1.00 0.00 C ATOM 166 CD2 LEU A 11 5.651 -3.844 6.059 1.00 0.00 C ATOM 167 H LEU A 11 0.777 -3.107 4.443 1.00 0.00 H ATOM 168 HA LEU A 11 2.107 -4.901 6.443 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.124 -2.545 4.934 1.00 0.00 H ATOM 170 HB3 LEU A 11 3.573 -2.637 6.637 1.00 0.00 H ATOM 171 HG LEU A 11 4.009 -5.214 5.850 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.692 -3.401 3.515 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.537 -4.733 3.500 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.259 -5.062 3.695 1.00 0.00 H ATOM 175 HD21 LEU A 11 5.856 -2.812 5.813 1.00 0.00 H ATOM 176 HD22 LEU A 11 6.438 -4.470 5.665 1.00 0.00 H ATOM 177 HD23 LEU A 11 5.605 -3.956 7.132 1.00 0.00 H HETATM 178 N NH2 A 12 -0.123 -3.381 7.330 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.551 -4.100 6.819 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.639 -2.876 7.993 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 4 HETATM 1 C ACE A 1 -0.837 5.420 -4.045 1.00 0.00 C HETATM 2 O ACE A 1 -1.188 4.880 -3.012 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.566 6.925 -4.100 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.980 7.331 -5.013 1.00 0.00 H HETATM 5 H2 ACE A 1 0.499 7.101 -4.078 1.00 0.00 H HETATM 6 H3 ACE A 1 -1.028 7.406 -3.252 1.00 0.00 H ATOM 7 N LEU A 2 -0.672 4.736 -5.146 1.00 0.00 N ATOM 8 CA LEU A 2 -0.917 3.266 -5.153 1.00 0.00 C ATOM 9 C LEU A 2 0.165 2.560 -4.345 1.00 0.00 C ATOM 10 O LEU A 2 -0.084 1.577 -3.678 1.00 0.00 O ATOM 11 CB LEU A 2 -0.840 2.851 -6.622 1.00 0.00 C ATOM 12 CG LEU A 2 -2.250 2.707 -7.200 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.950 1.506 -6.561 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.053 3.976 -6.912 1.00 0.00 C ATOM 15 H LEU A 2 -0.383 5.188 -5.964 1.00 0.00 H ATOM 16 HA LEU A 2 -1.891 3.044 -4.752 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.298 3.601 -7.179 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.325 1.905 -6.700 1.00 0.00 H ATOM 19 HG LEU A 2 -2.184 2.557 -8.268 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.379 0.611 -6.756 1.00 0.00 H ATOM 21 HD12 LEU A 2 -3.939 1.401 -6.983 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.027 1.660 -5.496 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.461 3.924 -5.913 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.858 4.061 -7.626 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.407 4.837 -6.993 1.00 0.00 H ATOM 26 N VAL A 3 1.366 3.059 -4.396 1.00 0.00 N ATOM 27 CA VAL A 3 2.465 2.421 -3.621 1.00 0.00 C ATOM 28 C VAL A 3 2.237 2.666 -2.129 1.00 0.00 C ATOM 29 O VAL A 3 2.642 1.886 -1.286 1.00 0.00 O ATOM 30 CB VAL A 3 3.740 3.123 -4.098 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.856 2.929 -3.067 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.179 2.525 -5.437 1.00 0.00 C ATOM 33 H VAL A 3 1.543 3.858 -4.938 1.00 0.00 H ATOM 34 HA VAL A 3 2.519 1.365 -3.831 1.00 0.00 H ATOM 35 HB VAL A 3 3.546 4.178 -4.220 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.045 1.874 -2.935 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.555 3.363 -2.126 1.00 0.00 H ATOM 38 HG13 VAL A 3 5.757 3.414 -3.415 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.812 3.231 -5.954 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.308 2.313 -6.039 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.728 1.612 -5.261 1.00 0.00 H ATOM 42 N GLY A 4 1.573 3.743 -1.803 1.00 0.00 N ATOM 43 CA GLY A 4 1.303 4.051 -0.374 1.00 0.00 C ATOM 44 C GLY A 4 0.173 3.158 0.120 1.00 0.00 C ATOM 45 O GLY A 4 0.280 2.510 1.141 1.00 0.00 O ATOM 46 H GLY A 4 1.241 4.344 -2.504 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.194 3.869 0.211 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.010 5.086 -0.275 1.00 0.00 H ATOM 49 N ARG A 5 -0.907 3.108 -0.606 1.00 0.00 N ATOM 50 CA ARG A 5 -2.038 2.239 -0.183 1.00 0.00 C ATOM 51 C ARG A 5 -1.639 0.774 -0.350 1.00 0.00 C ATOM 52 O ARG A 5 -2.049 -0.083 0.402 1.00 0.00 O ATOM 53 CB ARG A 5 -3.191 2.598 -1.119 1.00 0.00 C ATOM 54 CG ARG A 5 -4.501 2.063 -0.540 1.00 0.00 C ATOM 55 CD ARG A 5 -5.120 1.064 -1.522 1.00 0.00 C ATOM 56 NE ARG A 5 -6.591 1.266 -1.400 1.00 0.00 N ATOM 57 CZ ARG A 5 -7.273 0.574 -0.526 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.684 0.109 0.541 1.00 0.00 N ATOM 59 NH2 ARG A 5 -8.544 0.347 -0.721 1.00 0.00 N ATOM 60 H ARG A 5 -0.968 3.632 -1.435 1.00 0.00 H ATOM 61 HA ARG A 5 -2.311 2.445 0.841 1.00 0.00 H ATOM 62 HB2 ARG A 5 -3.251 3.672 -1.221 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.020 2.153 -2.088 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.301 1.570 0.401 1.00 0.00 H ATOM 65 HG3 ARG A 5 -5.184 2.882 -0.381 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.791 1.278 -2.531 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.861 0.055 -1.245 1.00 0.00 H ATOM 68 HE ARG A 5 -7.047 1.916 -1.973 1.00 0.00 H ATOM 69 HH11 ARG A 5 -5.711 0.282 0.690 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.205 -0.421 1.209 1.00 0.00 H ATOM 71 HH21 ARG A 5 -8.995 0.702 -1.538 1.00 0.00 H ATOM 72 HH22 ARG A 5 -9.065 -0.184 -0.052 1.00 0.00 H ATOM 73 N GLN A 6 -0.830 0.488 -1.332 1.00 0.00 N ATOM 74 CA GLN A 6 -0.387 -0.915 -1.555 1.00 0.00 C ATOM 75 C GLN A 6 0.468 -1.382 -0.374 1.00 0.00 C ATOM 76 O GLN A 6 0.121 -2.316 0.326 1.00 0.00 O ATOM 77 CB GLN A 6 0.440 -0.862 -2.841 1.00 0.00 C ATOM 78 CG GLN A 6 1.019 -2.244 -3.143 1.00 0.00 C ATOM 79 CD GLN A 6 2.401 -2.373 -2.498 1.00 0.00 C ATOM 80 OE1 GLN A 6 2.519 -2.807 -1.371 1.00 0.00 O ATOM 81 NE2 GLN A 6 3.458 -2.011 -3.173 1.00 0.00 N ATOM 82 H GLN A 6 -0.507 1.201 -1.919 1.00 0.00 H ATOM 83 HA GLN A 6 -1.239 -1.565 -1.688 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.191 -0.550 -3.661 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.247 -0.155 -2.719 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.362 -3.005 -2.744 1.00 0.00 H ATOM 87 HG3 GLN A 6 1.109 -2.371 -4.212 1.00 0.00 H ATOM 88 HE21 GLN A 6 3.364 -1.661 -4.083 1.00 0.00 H ATOM 89 HE22 GLN A 6 4.348 -2.091 -2.770 1.00 0.00 H ATOM 90 N LEU A 7 1.578 -0.734 -0.135 1.00 0.00 N ATOM 91 CA LEU A 7 2.436 -1.148 1.012 1.00 0.00 C ATOM 92 C LEU A 7 1.677 -0.947 2.325 1.00 0.00 C ATOM 93 O LEU A 7 1.769 -1.746 3.238 1.00 0.00 O ATOM 94 CB LEU A 7 3.662 -0.238 0.953 1.00 0.00 C ATOM 95 CG LEU A 7 4.893 -1.018 1.415 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.816 -1.271 0.221 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.645 -0.207 2.473 1.00 0.00 C ATOM 98 H LEU A 7 1.843 0.028 -0.701 1.00 0.00 H ATOM 99 HA LEU A 7 2.734 -2.179 0.905 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.809 0.102 -0.063 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.511 0.612 1.601 1.00 0.00 H ATOM 102 HG LEU A 7 4.583 -1.963 1.837 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.269 -1.113 -0.696 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.177 -2.289 0.255 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.652 -0.590 0.263 1.00 0.00 H ATOM 106 HD21 LEU A 7 6.294 0.504 1.986 1.00 0.00 H ATOM 107 HD22 LEU A 7 6.235 -0.873 3.084 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.935 0.319 3.094 1.00 0.00 H ATOM 109 N GLU A 8 0.918 0.110 2.423 1.00 0.00 N ATOM 110 CA GLU A 8 0.149 0.359 3.672 1.00 0.00 C ATOM 111 C GLU A 8 -0.991 -0.654 3.790 1.00 0.00 C ATOM 112 O GLU A 8 -1.482 -0.928 4.868 1.00 0.00 O ATOM 113 CB GLU A 8 -0.398 1.779 3.527 1.00 0.00 C ATOM 114 CG GLU A 8 -1.231 2.135 4.761 1.00 0.00 C ATOM 115 CD GLU A 8 -2.438 2.972 4.335 1.00 0.00 C ATOM 116 OE1 GLU A 8 -2.924 2.759 3.237 1.00 0.00 O ATOM 117 OE2 GLU A 8 -2.856 3.812 5.115 1.00 0.00 O ATOM 118 H GLU A 8 0.852 0.736 1.673 1.00 0.00 H ATOM 119 HA GLU A 8 0.797 0.297 4.531 1.00 0.00 H ATOM 120 HB2 GLU A 8 0.424 2.473 3.433 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.021 1.835 2.647 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.571 1.228 5.239 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.626 2.703 5.452 1.00 0.00 H ATOM 124 N GLU A 9 -1.405 -1.221 2.692 1.00 0.00 N ATOM 125 CA GLU A 9 -2.504 -2.227 2.749 1.00 0.00 C ATOM 126 C GLU A 9 -1.906 -3.614 2.968 1.00 0.00 C ATOM 127 O GLU A 9 -2.579 -4.535 3.389 1.00 0.00 O ATOM 128 CB GLU A 9 -3.205 -2.144 1.391 1.00 0.00 C ATOM 129 CG GLU A 9 -4.334 -3.175 1.329 1.00 0.00 C ATOM 130 CD GLU A 9 -5.682 -2.456 1.415 1.00 0.00 C ATOM 131 OE1 GLU A 9 -6.052 -2.061 2.508 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.321 -2.312 0.385 1.00 0.00 O ATOM 133 H GLU A 9 -0.989 -0.993 1.833 1.00 0.00 H ATOM 134 HA GLU A 9 -3.193 -1.986 3.541 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.618 -1.154 1.261 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.493 -2.345 0.604 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.274 -3.721 0.400 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.242 -3.861 2.157 1.00 0.00 H ATOM 139 N PHE A 10 -0.639 -3.765 2.696 1.00 0.00 N ATOM 140 CA PHE A 10 0.014 -5.088 2.901 1.00 0.00 C ATOM 141 C PHE A 10 0.758 -5.089 4.238 1.00 0.00 C ATOM 142 O PHE A 10 1.160 -6.121 4.737 1.00 0.00 O ATOM 143 CB PHE A 10 0.997 -5.231 1.738 1.00 0.00 C ATOM 144 CG PHE A 10 0.794 -6.567 1.067 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.312 -7.730 1.650 1.00 0.00 C ATOM 146 CD2 PHE A 10 0.092 -6.643 -0.141 1.00 0.00 C ATOM 147 CE1 PHE A 10 1.126 -8.968 1.026 1.00 0.00 C ATOM 148 CE2 PHE A 10 -0.094 -7.881 -0.767 1.00 0.00 C ATOM 149 CZ PHE A 10 0.423 -9.044 -0.183 1.00 0.00 C ATOM 150 H PHE A 10 -0.115 -3.002 2.366 1.00 0.00 H ATOM 151 HA PHE A 10 -0.717 -5.881 2.872 1.00 0.00 H ATOM 152 HB2 PHE A 10 0.828 -4.439 1.024 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.007 -5.167 2.112 1.00 0.00 H ATOM 154 HD1 PHE A 10 1.854 -7.670 2.582 1.00 0.00 H ATOM 155 HD2 PHE A 10 -0.307 -5.746 -0.592 1.00 0.00 H ATOM 156 HE1 PHE A 10 1.524 -9.865 1.476 1.00 0.00 H ATOM 157 HE2 PHE A 10 -0.635 -7.939 -1.700 1.00 0.00 H ATOM 158 HZ PHE A 10 0.279 -9.999 -0.666 1.00 0.00 H ATOM 159 N LEU A 11 0.941 -3.934 4.820 1.00 0.00 N ATOM 160 CA LEU A 11 1.658 -3.863 6.127 1.00 0.00 C ATOM 161 C LEU A 11 0.935 -4.710 7.176 1.00 0.00 C ATOM 162 O LEU A 11 1.487 -5.024 8.212 1.00 0.00 O ATOM 163 CB LEU A 11 1.628 -2.385 6.515 1.00 0.00 C ATOM 164 CG LEU A 11 3.031 -1.943 6.933 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.961 -1.986 5.719 1.00 0.00 C ATOM 166 CD2 LEU A 11 2.974 -0.516 7.484 1.00 0.00 C ATOM 167 H LEU A 11 0.605 -3.113 4.397 1.00 0.00 H ATOM 168 HA LEU A 11 2.679 -4.193 6.013 1.00 0.00 H ATOM 169 HB2 LEU A 11 1.300 -1.798 5.670 1.00 0.00 H ATOM 170 HB3 LEU A 11 0.947 -2.243 7.340 1.00 0.00 H ATOM 171 HG LEU A 11 3.405 -2.611 7.695 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.985 -2.067 6.052 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.841 -1.082 5.140 1.00 0.00 H ATOM 174 HD13 LEU A 11 3.714 -2.842 5.106 1.00 0.00 H ATOM 175 HD21 LEU A 11 2.017 -0.350 7.955 1.00 0.00 H ATOM 176 HD22 LEU A 11 3.105 0.188 6.676 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.761 -0.380 8.212 1.00 0.00 H HETATM 178 N NH2 A 12 -0.291 -5.095 6.950 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.737 -4.842 6.116 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.764 -5.637 7.614 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 5 HETATM 1 C ACE A 1 -0.829 5.661 -3.875 1.00 0.00 C HETATM 2 O ACE A 1 -1.426 5.002 -3.047 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.418 7.108 -3.591 1.00 0.00 C HETATM 4 H1 ACE A 1 -1.079 7.529 -2.846 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.484 7.687 -4.500 1.00 0.00 H HETATM 6 H3 ACE A 1 0.598 7.128 -3.223 1.00 0.00 H ATOM 7 N LEU A 2 -0.504 5.156 -5.034 1.00 0.00 N ATOM 8 CA LEU A 2 -0.873 3.749 -5.356 1.00 0.00 C ATOM 9 C LEU A 2 0.085 2.800 -4.642 1.00 0.00 C ATOM 10 O LEU A 2 -0.325 1.867 -3.979 1.00 0.00 O ATOM 11 CB LEU A 2 -0.731 3.630 -6.875 1.00 0.00 C ATOM 12 CG LEU A 2 -1.928 4.297 -7.553 1.00 0.00 C ATOM 13 CD1 LEU A 2 -1.539 5.706 -8.003 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.349 3.472 -8.771 1.00 0.00 C ATOM 15 H LEU A 2 -0.014 5.696 -5.687 1.00 0.00 H ATOM 16 HA LEU A 2 -1.889 3.549 -5.060 1.00 0.00 H ATOM 17 HB2 LEU A 2 0.181 4.118 -7.191 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.697 2.587 -7.153 1.00 0.00 H ATOM 19 HG LEU A 2 -2.751 4.357 -6.854 1.00 0.00 H ATOM 20 HD11 LEU A 2 -0.963 5.646 -8.915 1.00 0.00 H ATOM 21 HD12 LEU A 2 -0.946 6.177 -7.234 1.00 0.00 H ATOM 22 HD13 LEU A 2 -2.431 6.287 -8.178 1.00 0.00 H ATOM 23 HD21 LEU A 2 -2.887 2.594 -8.442 1.00 0.00 H ATOM 24 HD22 LEU A 2 -1.470 3.170 -9.323 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.988 4.067 -9.407 1.00 0.00 H ATOM 26 N VAL A 3 1.359 3.049 -4.751 1.00 0.00 N ATOM 27 CA VAL A 3 2.343 2.177 -4.058 1.00 0.00 C ATOM 28 C VAL A 3 2.170 2.341 -2.549 1.00 0.00 C ATOM 29 O VAL A 3 2.470 1.455 -1.770 1.00 0.00 O ATOM 30 CB VAL A 3 3.715 2.685 -4.503 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.787 2.691 -6.032 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.926 4.107 -3.979 1.00 0.00 C ATOM 33 H VAL A 3 1.665 3.820 -5.275 1.00 0.00 H ATOM 34 HA VAL A 3 2.212 1.146 -4.347 1.00 0.00 H ATOM 35 HB VAL A 3 4.484 2.036 -4.110 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.442 3.485 -6.358 1.00 0.00 H ATOM 37 HG12 VAL A 3 2.799 2.851 -6.438 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.170 1.743 -6.379 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.416 4.068 -3.018 1.00 0.00 H ATOM 40 HG22 VAL A 3 2.969 4.599 -3.875 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.540 4.660 -4.675 1.00 0.00 H ATOM 42 N GLY A 4 1.666 3.473 -2.136 1.00 0.00 N ATOM 43 CA GLY A 4 1.448 3.712 -0.683 1.00 0.00 C ATOM 44 C GLY A 4 0.217 2.932 -0.238 1.00 0.00 C ATOM 45 O GLY A 4 0.221 2.271 0.779 1.00 0.00 O ATOM 46 H GLY A 4 1.416 4.163 -2.790 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.313 3.378 -0.127 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.288 4.764 -0.508 1.00 0.00 H ATOM 49 N ARG A 5 -0.837 2.991 -1.002 1.00 0.00 N ATOM 50 CA ARG A 5 -2.064 2.237 -0.629 1.00 0.00 C ATOM 51 C ARG A 5 -1.725 0.751 -0.501 1.00 0.00 C ATOM 52 O ARG A 5 -2.130 0.084 0.433 1.00 0.00 O ATOM 53 CB ARG A 5 -3.038 2.473 -1.786 1.00 0.00 C ATOM 54 CG ARG A 5 -4.393 2.925 -1.237 1.00 0.00 C ATOM 55 CD ARG A 5 -4.248 4.295 -0.569 1.00 0.00 C ATOM 56 NE ARG A 5 -5.626 4.663 -0.144 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.340 5.473 -0.877 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.226 6.763 -0.723 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.167 4.991 -1.765 1.00 0.00 N ATOM 60 H ARG A 5 -0.818 3.524 -1.827 1.00 0.00 H ATOM 61 HA ARG A 5 -2.479 2.616 0.290 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.641 3.239 -2.438 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.164 1.558 -2.343 1.00 0.00 H ATOM 64 HG2 ARG A 5 -5.104 2.994 -2.048 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.744 2.208 -0.510 1.00 0.00 H ATOM 66 HD2 ARG A 5 -3.593 4.227 0.289 1.00 0.00 H ATOM 67 HD3 ARG A 5 -3.873 5.020 -1.275 1.00 0.00 H ATOM 68 HE ARG A 5 -5.998 4.297 0.686 1.00 0.00 H ATOM 69 HH11 ARG A 5 -5.593 7.131 -0.041 1.00 0.00 H ATOM 70 HH12 ARG A 5 -6.772 7.384 -1.285 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.253 4.001 -1.883 1.00 0.00 H ATOM 72 HH22 ARG A 5 -7.713 5.612 -2.327 1.00 0.00 H ATOM 73 N GLN A 6 -0.972 0.230 -1.432 1.00 0.00 N ATOM 74 CA GLN A 6 -0.592 -1.209 -1.372 1.00 0.00 C ATOM 75 C GLN A 6 0.313 -1.465 -0.165 1.00 0.00 C ATOM 76 O GLN A 6 0.105 -2.392 0.593 1.00 0.00 O ATOM 77 CB GLN A 6 0.166 -1.470 -2.675 1.00 0.00 C ATOM 78 CG GLN A 6 -0.252 -2.822 -3.251 1.00 0.00 C ATOM 79 CD GLN A 6 0.935 -3.451 -3.984 1.00 0.00 C ATOM 80 OE1 GLN A 6 1.481 -4.442 -3.542 1.00 0.00 O ATOM 81 NE2 GLN A 6 1.362 -2.909 -5.091 1.00 0.00 N ATOM 82 H GLN A 6 -0.652 0.791 -2.172 1.00 0.00 H ATOM 83 HA GLN A 6 -1.472 -1.831 -1.325 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.063 -0.689 -3.385 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.228 -1.477 -2.478 1.00 0.00 H ATOM 86 HG2 GLN A 6 -0.568 -3.474 -2.449 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.066 -2.682 -3.946 1.00 0.00 H ATOM 88 HE21 GLN A 6 0.921 -2.110 -5.447 1.00 0.00 H ATOM 89 HE22 GLN A 6 2.124 -3.301 -5.568 1.00 0.00 H ATOM 90 N LEU A 7 1.321 -0.653 0.022 1.00 0.00 N ATOM 91 CA LEU A 7 2.234 -0.863 1.184 1.00 0.00 C ATOM 92 C LEU A 7 1.446 -0.795 2.493 1.00 0.00 C ATOM 93 O LEU A 7 1.497 -1.697 3.307 1.00 0.00 O ATOM 94 CB LEU A 7 3.252 0.275 1.105 1.00 0.00 C ATOM 95 CG LEU A 7 4.520 -0.117 1.869 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.022 -1.474 1.372 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.605 0.938 1.633 1.00 0.00 C ATOM 98 H LEU A 7 1.478 0.090 -0.600 1.00 0.00 H ATOM 99 HA LEU A 7 2.735 -1.813 1.097 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.497 0.468 0.070 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.828 1.165 1.546 1.00 0.00 H ATOM 102 HG LEU A 7 4.299 -0.180 2.924 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.535 -1.719 0.439 1.00 0.00 H ATOM 104 HD12 LEU A 7 4.794 -2.233 2.106 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.090 -1.429 1.219 1.00 0.00 H ATOM 106 HD21 LEU A 7 6.577 0.491 1.782 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.473 1.753 2.329 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.531 1.310 0.623 1.00 0.00 H ATOM 109 N GLU A 8 0.706 0.259 2.700 1.00 0.00 N ATOM 110 CA GLU A 8 -0.093 0.366 3.952 1.00 0.00 C ATOM 111 C GLU A 8 -1.093 -0.783 3.990 1.00 0.00 C ATOM 112 O GLU A 8 -1.523 -1.221 5.039 1.00 0.00 O ATOM 113 CB GLU A 8 -0.817 1.711 3.858 1.00 0.00 C ATOM 114 CG GLU A 8 -1.518 2.008 5.185 1.00 0.00 C ATOM 115 CD GLU A 8 -0.707 3.038 5.974 1.00 0.00 C ATOM 116 OE1 GLU A 8 0.207 2.633 6.674 1.00 0.00 O ATOM 117 OE2 GLU A 8 -1.014 4.214 5.865 1.00 0.00 O ATOM 118 H GLU A 8 0.665 0.968 2.031 1.00 0.00 H ATOM 119 HA GLU A 8 0.549 0.344 4.818 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.101 2.492 3.644 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.551 1.670 3.067 1.00 0.00 H ATOM 122 HG2 GLU A 8 -2.506 2.399 4.990 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.598 1.098 5.761 1.00 0.00 H ATOM 124 N GLU A 9 -1.453 -1.278 2.840 1.00 0.00 N ATOM 125 CA GLU A 9 -2.415 -2.412 2.780 1.00 0.00 C ATOM 126 C GLU A 9 -1.657 -3.730 2.950 1.00 0.00 C ATOM 127 O GLU A 9 -2.228 -4.750 3.281 1.00 0.00 O ATOM 128 CB GLU A 9 -3.043 -2.316 1.389 1.00 0.00 C ATOM 129 CG GLU A 9 -3.849 -3.582 1.090 1.00 0.00 C ATOM 130 CD GLU A 9 -5.262 -3.435 1.658 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.437 -2.632 2.559 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.146 -4.128 1.181 1.00 0.00 O ATOM 133 H GLU A 9 -1.080 -0.906 2.010 1.00 0.00 H ATOM 134 HA GLU A 9 -3.171 -2.308 3.541 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.697 -1.455 1.351 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.265 -2.205 0.649 1.00 0.00 H ATOM 137 HG2 GLU A 9 -3.905 -3.726 0.021 1.00 0.00 H ATOM 138 HG3 GLU A 9 -3.368 -4.434 1.543 1.00 0.00 H ATOM 139 N PHE A 10 -0.371 -3.711 2.731 1.00 0.00 N ATOM 140 CA PHE A 10 0.430 -4.958 2.885 1.00 0.00 C ATOM 141 C PHE A 10 1.052 -5.006 4.283 1.00 0.00 C ATOM 142 O PHE A 10 1.546 -6.027 4.720 1.00 0.00 O ATOM 143 CB PHE A 10 1.518 -4.864 1.815 1.00 0.00 C ATOM 144 CG PHE A 10 1.451 -6.078 0.923 1.00 0.00 C ATOM 145 CD1 PHE A 10 0.480 -6.158 -0.083 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.359 -7.128 1.103 1.00 0.00 C ATOM 147 CE1 PHE A 10 0.418 -7.287 -0.907 1.00 0.00 C ATOM 148 CE2 PHE A 10 2.296 -8.258 0.279 1.00 0.00 C ATOM 149 CZ PHE A 10 1.326 -8.337 -0.728 1.00 0.00 C ATOM 150 H PHE A 10 0.070 -2.874 2.470 1.00 0.00 H ATOM 151 HA PHE A 10 -0.185 -5.826 2.713 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.365 -3.974 1.223 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.487 -4.820 2.289 1.00 0.00 H ATOM 154 HD1 PHE A 10 -0.220 -5.347 -0.222 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.109 -7.066 1.878 1.00 0.00 H ATOM 156 HE1 PHE A 10 -0.332 -7.348 -1.684 1.00 0.00 H ATOM 157 HE2 PHE A 10 2.997 -9.067 0.418 1.00 0.00 H ATOM 158 HZ PHE A 10 1.277 -9.209 -1.363 1.00 0.00 H ATOM 159 N LEU A 11 1.027 -3.908 4.989 1.00 0.00 N ATOM 160 CA LEU A 11 1.611 -3.886 6.361 1.00 0.00 C ATOM 161 C LEU A 11 1.125 -2.648 7.121 1.00 0.00 C ATOM 162 O LEU A 11 0.943 -1.595 6.546 1.00 0.00 O ATOM 163 CB LEU A 11 3.125 -3.822 6.152 1.00 0.00 C ATOM 164 CG LEU A 11 3.832 -4.451 7.354 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.410 -5.916 7.486 1.00 0.00 C ATOM 166 CD2 LEU A 11 5.348 -4.374 7.156 1.00 0.00 C ATOM 167 H LEU A 11 0.620 -3.097 4.616 1.00 0.00 H ATOM 168 HA LEU A 11 1.351 -4.784 6.896 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.388 -4.365 5.255 1.00 0.00 H ATOM 170 HB3 LEU A 11 3.433 -2.792 6.053 1.00 0.00 H ATOM 171 HG LEU A 11 3.556 -3.917 8.252 1.00 0.00 H ATOM 172 HD11 LEU A 11 2.873 -6.052 8.412 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.288 -6.544 7.482 1.00 0.00 H ATOM 174 HD13 LEU A 11 2.772 -6.182 6.656 1.00 0.00 H ATOM 175 HD21 LEU A 11 5.810 -5.259 7.568 1.00 0.00 H ATOM 176 HD22 LEU A 11 5.732 -3.499 7.660 1.00 0.00 H ATOM 177 HD23 LEU A 11 5.571 -4.309 6.101 1.00 0.00 H HETATM 178 N NH2 A 12 0.905 -2.733 8.406 1.00 0.00 N HETATM 179 HN1 NH2 A 12 1.052 -3.582 8.874 1.00 0.00 H HETATM 180 HN2 NH2 A 12 0.595 -1.947 8.902 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 6 HETATM 1 C ACE A 1 -0.763 5.790 -3.771 1.00 0.00 C HETATM 2 O ACE A 1 -0.977 5.243 -2.706 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.291 7.245 -3.835 1.00 0.00 C HETATM 4 H1 ACE A 1 0.578 7.369 -3.206 1.00 0.00 H HETATM 5 H2 ACE A 1 -1.081 7.897 -3.491 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.036 7.495 -4.855 1.00 0.00 H ATOM 7 N LEU A 2 -0.922 5.156 -4.902 1.00 0.00 N ATOM 8 CA LEU A 2 -1.377 3.738 -4.898 1.00 0.00 C ATOM 9 C LEU A 2 -0.251 2.842 -4.389 1.00 0.00 C ATOM 10 O LEU A 2 -0.483 1.849 -3.731 1.00 0.00 O ATOM 11 CB LEU A 2 -1.721 3.419 -6.353 1.00 0.00 C ATOM 12 CG LEU A 2 -3.182 2.969 -6.446 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.967 3.956 -7.314 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.244 1.576 -7.077 1.00 0.00 C ATOM 15 H LEU A 2 -0.739 5.611 -5.750 1.00 0.00 H ATOM 16 HA LEU A 2 -2.249 3.629 -4.276 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.577 4.302 -6.958 1.00 0.00 H ATOM 18 HB3 LEU A 2 -1.079 2.628 -6.709 1.00 0.00 H ATOM 19 HG LEU A 2 -3.613 2.938 -5.456 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.323 4.773 -7.603 1.00 0.00 H ATOM 21 HD12 LEU A 2 -4.805 4.340 -6.752 1.00 0.00 H ATOM 22 HD13 LEU A 2 -4.328 3.451 -8.198 1.00 0.00 H ATOM 23 HD21 LEU A 2 -2.308 1.361 -7.569 1.00 0.00 H ATOM 24 HD22 LEU A 2 -4.047 1.544 -7.801 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.425 0.839 -6.308 1.00 0.00 H ATOM 26 N VAL A 3 0.973 3.196 -4.668 1.00 0.00 N ATOM 27 CA VAL A 3 2.105 2.370 -4.170 1.00 0.00 C ATOM 28 C VAL A 3 2.123 2.458 -2.644 1.00 0.00 C ATOM 29 O VAL A 3 2.454 1.513 -1.949 1.00 0.00 O ATOM 30 CB VAL A 3 3.361 3.005 -4.770 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.604 2.297 -4.225 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.322 2.862 -6.293 1.00 0.00 C ATOM 33 H VAL A 3 1.144 4.012 -5.185 1.00 0.00 H ATOM 34 HA VAL A 3 2.006 1.347 -4.495 1.00 0.00 H ATOM 35 HB VAL A 3 3.397 4.051 -4.505 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.696 2.497 -3.167 1.00 0.00 H ATOM 37 HG12 VAL A 3 5.481 2.663 -4.738 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.512 1.233 -4.384 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.326 1.815 -6.557 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.186 3.345 -6.722 1.00 0.00 H ATOM 41 HG23 VAL A 3 2.423 3.325 -6.675 1.00 0.00 H ATOM 42 N GLY A 4 1.733 3.591 -2.124 1.00 0.00 N ATOM 43 CA GLY A 4 1.689 3.760 -0.648 1.00 0.00 C ATOM 44 C GLY A 4 0.505 2.961 -0.117 1.00 0.00 C ATOM 45 O GLY A 4 0.598 2.287 0.888 1.00 0.00 O ATOM 46 H GLY A 4 1.447 4.325 -2.710 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.607 3.391 -0.211 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.558 4.801 -0.403 1.00 0.00 H ATOM 49 N ARG A 5 -0.605 3.014 -0.803 1.00 0.00 N ATOM 50 CA ARG A 5 -1.788 2.235 -0.352 1.00 0.00 C ATOM 51 C ARG A 5 -1.462 0.746 -0.454 1.00 0.00 C ATOM 52 O ARG A 5 -1.916 -0.059 0.334 1.00 0.00 O ATOM 53 CB ARG A 5 -2.912 2.610 -1.318 1.00 0.00 C ATOM 54 CG ARG A 5 -4.207 1.927 -0.879 1.00 0.00 C ATOM 55 CD ARG A 5 -4.670 2.517 0.455 1.00 0.00 C ATOM 56 NE ARG A 5 -5.121 1.346 1.257 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.149 1.456 2.053 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.524 2.633 2.473 1.00 0.00 N ATOM 59 NH2 ARG A 5 -6.800 0.389 2.426 1.00 0.00 N ATOM 60 H ARG A 5 -0.653 3.553 -1.623 1.00 0.00 H ATOM 61 HA ARG A 5 -2.056 2.500 0.658 1.00 0.00 H ATOM 62 HB2 ARG A 5 -3.048 3.682 -1.311 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.655 2.285 -2.316 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.970 2.086 -1.629 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.034 0.868 -0.761 1.00 0.00 H ATOM 66 HD2 ARG A 5 -3.849 3.020 0.947 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.492 3.198 0.301 1.00 0.00 H ATOM 68 HE ARG A 5 -4.644 0.492 1.188 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.024 3.450 2.186 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.314 2.719 3.081 1.00 0.00 H ATOM 71 HH21 ARG A 5 -6.511 -0.512 2.102 1.00 0.00 H ATOM 72 HH22 ARG A 5 -7.587 0.471 3.038 1.00 0.00 H ATOM 73 N GLN A 6 -0.656 0.382 -1.417 1.00 0.00 N ATOM 74 CA GLN A 6 -0.273 -1.048 -1.569 1.00 0.00 C ATOM 75 C GLN A 6 0.544 -1.478 -0.350 1.00 0.00 C ATOM 76 O GLN A 6 0.183 -2.399 0.361 1.00 0.00 O ATOM 77 CB GLN A 6 0.577 -1.099 -2.840 1.00 0.00 C ATOM 78 CG GLN A 6 1.350 -2.417 -2.885 1.00 0.00 C ATOM 79 CD GLN A 6 1.846 -2.673 -4.310 1.00 0.00 C ATOM 80 OE1 GLN A 6 1.113 -2.494 -5.262 1.00 0.00 O ATOM 81 NE2 GLN A 6 3.070 -3.083 -4.498 1.00 0.00 N ATOM 82 H GLN A 6 -0.292 1.053 -2.030 1.00 0.00 H ATOM 83 HA GLN A 6 -1.149 -1.667 -1.680 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.066 -1.029 -3.706 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.274 -0.275 -2.843 1.00 0.00 H ATOM 86 HG2 GLN A 6 2.194 -2.361 -2.213 1.00 0.00 H ATOM 87 HG3 GLN A 6 0.701 -3.224 -2.581 1.00 0.00 H ATOM 88 HE21 GLN A 6 3.662 -3.227 -3.730 1.00 0.00 H ATOM 89 HE22 GLN A 6 3.397 -3.249 -5.407 1.00 0.00 H ATOM 90 N LEU A 7 1.632 -0.804 -0.085 1.00 0.00 N ATOM 91 CA LEU A 7 2.448 -1.172 1.106 1.00 0.00 C ATOM 92 C LEU A 7 1.598 -0.995 2.366 1.00 0.00 C ATOM 93 O LEU A 7 1.720 -1.736 3.324 1.00 0.00 O ATOM 94 CB LEU A 7 3.631 -0.202 1.101 1.00 0.00 C ATOM 95 CG LEU A 7 4.605 -0.580 2.219 1.00 0.00 C ATOM 96 CD1 LEU A 7 6.028 -0.645 1.662 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.542 0.474 3.327 1.00 0.00 C ATOM 98 H LEU A 7 1.901 -0.051 -0.660 1.00 0.00 H ATOM 99 HA LEU A 7 2.796 -2.188 1.025 1.00 0.00 H ATOM 100 HB2 LEU A 7 4.136 -0.258 0.148 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.274 0.804 1.263 1.00 0.00 H ATOM 102 HG LEU A 7 4.333 -1.545 2.622 1.00 0.00 H ATOM 103 HD11 LEU A 7 6.143 -1.543 1.073 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.735 -0.658 2.478 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.211 0.218 1.040 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.109 0.132 4.181 1.00 0.00 H ATOM 107 HD22 LEU A 7 3.514 0.630 3.618 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.959 1.402 2.967 1.00 0.00 H ATOM 109 N GLU A 8 0.719 -0.029 2.358 1.00 0.00 N ATOM 110 CA GLU A 8 -0.162 0.190 3.539 1.00 0.00 C ATOM 111 C GLU A 8 -1.163 -0.960 3.634 1.00 0.00 C ATOM 112 O GLU A 8 -1.626 -1.312 4.700 1.00 0.00 O ATOM 113 CB GLU A 8 -0.878 1.514 3.265 1.00 0.00 C ATOM 114 CG GLU A 8 -2.077 1.657 4.205 1.00 0.00 C ATOM 115 CD GLU A 8 -2.417 3.139 4.379 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.994 3.924 3.547 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.094 3.463 5.340 1.00 0.00 O ATOM 118 H GLU A 8 0.629 0.542 1.568 1.00 0.00 H ATOM 119 HA GLU A 8 0.422 0.260 4.442 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.193 2.333 3.427 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.223 1.531 2.243 1.00 0.00 H ATOM 122 HG2 GLU A 8 -2.927 1.138 3.785 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.834 1.231 5.167 1.00 0.00 H ATOM 124 N GLU A 9 -1.481 -1.563 2.521 1.00 0.00 N ATOM 125 CA GLU A 9 -2.429 -2.707 2.541 1.00 0.00 C ATOM 126 C GLU A 9 -1.669 -3.957 2.978 1.00 0.00 C ATOM 127 O GLU A 9 -2.235 -4.897 3.501 1.00 0.00 O ATOM 128 CB GLU A 9 -2.933 -2.840 1.103 1.00 0.00 C ATOM 129 CG GLU A 9 -3.814 -4.084 0.978 1.00 0.00 C ATOM 130 CD GLU A 9 -2.931 -5.324 0.837 1.00 0.00 C ATOM 131 OE1 GLU A 9 -1.888 -5.216 0.213 1.00 0.00 O ATOM 132 OE2 GLU A 9 -3.311 -6.361 1.355 1.00 0.00 O ATOM 133 H GLU A 9 -1.080 -1.272 1.674 1.00 0.00 H ATOM 134 HA GLU A 9 -3.249 -2.508 3.211 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.509 -1.964 0.843 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.091 -2.929 0.433 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.432 -4.178 1.859 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.444 -3.993 0.106 1.00 0.00 H ATOM 139 N PHE A 10 -0.378 -3.957 2.782 1.00 0.00 N ATOM 140 CA PHE A 10 0.442 -5.127 3.202 1.00 0.00 C ATOM 141 C PHE A 10 0.885 -4.938 4.657 1.00 0.00 C ATOM 142 O PHE A 10 1.266 -5.875 5.330 1.00 0.00 O ATOM 143 CB PHE A 10 1.656 -5.125 2.270 1.00 0.00 C ATOM 144 CG PHE A 10 1.351 -5.934 1.032 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.085 -7.306 1.135 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.342 -5.313 -0.222 1.00 0.00 C ATOM 147 CE1 PHE A 10 0.809 -8.054 -0.016 1.00 0.00 C ATOM 148 CE2 PHE A 10 1.067 -6.061 -1.372 1.00 0.00 C ATOM 149 CZ PHE A 10 0.800 -7.431 -1.269 1.00 0.00 C ATOM 150 H PHE A 10 0.053 -3.176 2.369 1.00 0.00 H ATOM 151 HA PHE A 10 -0.115 -6.044 3.089 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.888 -4.109 1.987 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.502 -5.558 2.782 1.00 0.00 H ATOM 154 HD1 PHE A 10 1.093 -7.787 2.102 1.00 0.00 H ATOM 155 HD2 PHE A 10 1.546 -4.256 -0.302 1.00 0.00 H ATOM 156 HE1 PHE A 10 0.603 -9.112 0.064 1.00 0.00 H ATOM 157 HE2 PHE A 10 1.060 -5.580 -2.340 1.00 0.00 H ATOM 158 HZ PHE A 10 0.589 -8.009 -2.157 1.00 0.00 H ATOM 159 N LEU A 11 0.835 -3.725 5.145 1.00 0.00 N ATOM 160 CA LEU A 11 1.248 -3.464 6.557 1.00 0.00 C ATOM 161 C LEU A 11 0.208 -2.589 7.263 1.00 0.00 C ATOM 162 O LEU A 11 0.526 -1.537 7.780 1.00 0.00 O ATOM 163 CB LEU A 11 2.582 -2.720 6.455 1.00 0.00 C ATOM 164 CG LEU A 11 3.735 -3.712 6.606 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.231 -4.127 5.221 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.878 -3.050 7.380 1.00 0.00 C ATOM 167 H LEU A 11 0.521 -2.983 4.582 1.00 0.00 H ATOM 168 HA LEU A 11 1.384 -4.392 7.089 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.649 -2.235 5.492 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.642 -1.979 7.238 1.00 0.00 H ATOM 171 HG LEU A 11 3.392 -4.585 7.143 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.062 -5.184 5.079 1.00 0.00 H ATOM 173 HD12 LEU A 11 5.288 -3.916 5.140 1.00 0.00 H ATOM 174 HD13 LEU A 11 3.694 -3.572 4.466 1.00 0.00 H ATOM 175 HD21 LEU A 11 4.861 -3.386 8.406 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.760 -1.977 7.350 1.00 0.00 H ATOM 177 HD23 LEU A 11 5.821 -3.321 6.929 1.00 0.00 H HETATM 178 N NH2 A 12 -1.035 -2.984 7.306 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -1.295 -3.832 6.890 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -1.709 -2.432 7.754 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 7 HETATM 1 C ACE A 1 -0.604 5.794 -3.884 1.00 0.00 C HETATM 2 O ACE A 1 -1.117 5.174 -2.970 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.099 7.225 -3.691 1.00 0.00 C HETATM 4 H1 ACE A 1 0.938 7.284 -3.987 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.193 7.503 -2.651 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.685 7.898 -4.298 1.00 0.00 H ATOM 7 N LEU A 2 -0.457 5.258 -5.066 1.00 0.00 N ATOM 8 CA LEU A 2 -0.925 3.866 -5.315 1.00 0.00 C ATOM 9 C LEU A 2 0.003 2.883 -4.612 1.00 0.00 C ATOM 10 O LEU A 2 -0.434 1.938 -3.984 1.00 0.00 O ATOM 11 CB LEU A 2 -0.861 3.688 -6.832 1.00 0.00 C ATOM 12 CG LEU A 2 -2.208 4.069 -7.447 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.047 4.241 -8.958 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.227 2.962 -7.165 1.00 0.00 C ATOM 15 H LEU A 2 -0.034 5.767 -5.787 1.00 0.00 H ATOM 16 HA LEU A 2 -1.938 3.742 -4.969 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.087 4.325 -7.236 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.639 2.658 -7.065 1.00 0.00 H ATOM 19 HG LEU A 2 -2.552 4.997 -7.015 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.154 3.281 -9.443 1.00 0.00 H ATOM 21 HD12 LEU A 2 -1.069 4.646 -9.172 1.00 0.00 H ATOM 22 HD13 LEU A 2 -2.805 4.917 -9.327 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.017 2.516 -6.205 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.160 2.207 -7.934 1.00 0.00 H ATOM 25 HD23 LEU A 2 -4.222 3.381 -7.158 1.00 0.00 H ATOM 26 N VAL A 3 1.283 3.107 -4.697 1.00 0.00 N ATOM 27 CA VAL A 3 2.239 2.194 -4.013 1.00 0.00 C ATOM 28 C VAL A 3 2.102 2.374 -2.501 1.00 0.00 C ATOM 29 O VAL A 3 2.401 1.488 -1.723 1.00 0.00 O ATOM 30 CB VAL A 3 3.626 2.629 -4.491 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.024 3.935 -3.799 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.645 1.540 -4.145 1.00 0.00 C ATOM 33 H VAL A 3 1.612 3.886 -5.196 1.00 0.00 H ATOM 34 HA VAL A 3 2.051 1.169 -4.292 1.00 0.00 H ATOM 35 HB VAL A 3 3.606 2.780 -5.559 1.00 0.00 H ATOM 36 HG11 VAL A 3 3.134 4.464 -3.491 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.588 4.548 -4.484 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.628 3.713 -2.932 1.00 0.00 H ATOM 39 HG21 VAL A 3 5.592 1.774 -4.609 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.292 0.588 -4.510 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.771 1.491 -3.074 1.00 0.00 H ATOM 42 N GLY A 4 1.634 3.520 -2.086 1.00 0.00 N ATOM 43 CA GLY A 4 1.456 3.773 -0.630 1.00 0.00 C ATOM 44 C GLY A 4 0.230 3.007 -0.147 1.00 0.00 C ATOM 45 O GLY A 4 0.250 2.374 0.888 1.00 0.00 O ATOM 46 H GLY A 4 1.386 4.211 -2.736 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.333 3.437 -0.094 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.309 4.828 -0.461 1.00 0.00 H ATOM 49 N ARG A 5 -0.838 3.048 -0.896 1.00 0.00 N ATOM 50 CA ARG A 5 -2.060 2.305 -0.480 1.00 0.00 C ATOM 51 C ARG A 5 -1.756 0.805 -0.450 1.00 0.00 C ATOM 52 O ARG A 5 -2.109 0.106 0.479 1.00 0.00 O ATOM 53 CB ARG A 5 -3.106 2.625 -1.547 1.00 0.00 C ATOM 54 CG ARG A 5 -3.638 4.042 -1.326 1.00 0.00 C ATOM 55 CD ARG A 5 -3.918 4.703 -2.677 1.00 0.00 C ATOM 56 NE ARG A 5 -5.391 4.920 -2.699 1.00 0.00 N ATOM 57 CZ ARG A 5 -5.943 5.561 -3.691 1.00 0.00 C ATOM 58 NH1 ARG A 5 -5.297 5.708 -4.815 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.143 6.057 -3.559 1.00 0.00 N ATOM 60 H ARG A 5 -0.832 3.559 -1.736 1.00 0.00 H ATOM 61 HA ARG A 5 -2.398 2.643 0.487 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.655 2.557 -2.527 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.922 1.922 -1.476 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.551 3.998 -0.750 1.00 0.00 H ATOM 65 HG3 ARG A 5 -2.903 4.623 -0.789 1.00 0.00 H ATOM 66 HD2 ARG A 5 -3.394 5.647 -2.749 1.00 0.00 H ATOM 67 HD3 ARG A 5 -3.628 4.048 -3.484 1.00 0.00 H ATOM 68 HE ARG A 5 -5.947 4.579 -1.966 1.00 0.00 H ATOM 69 HH11 ARG A 5 -4.378 5.327 -4.916 1.00 0.00 H ATOM 70 HH12 ARG A 5 -5.721 6.199 -5.575 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.638 5.943 -2.698 1.00 0.00 H ATOM 72 HH22 ARG A 5 -7.567 6.550 -4.318 1.00 0.00 H ATOM 73 N GLN A 6 -1.088 0.310 -1.457 1.00 0.00 N ATOM 74 CA GLN A 6 -0.747 -1.141 -1.482 1.00 0.00 C ATOM 75 C GLN A 6 0.156 -1.476 -0.293 1.00 0.00 C ATOM 76 O GLN A 6 -0.115 -2.381 0.472 1.00 0.00 O ATOM 77 CB GLN A 6 -0.002 -1.352 -2.801 1.00 0.00 C ATOM 78 CG GLN A 6 -0.335 -2.735 -3.363 1.00 0.00 C ATOM 79 CD GLN A 6 0.731 -3.738 -2.917 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.641 -4.300 -1.844 1.00 0.00 O ATOM 81 NE2 GLN A 6 1.744 -3.988 -3.701 1.00 0.00 N ATOM 82 H GLN A 6 -0.803 0.894 -2.192 1.00 0.00 H ATOM 83 HA GLN A 6 -1.642 -1.742 -1.461 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.302 -0.593 -3.509 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.062 -1.282 -2.629 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.302 -3.049 -2.997 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.355 -2.691 -4.442 1.00 0.00 H ATOM 88 HE21 GLN A 6 1.816 -3.535 -4.567 1.00 0.00 H ATOM 89 HE22 GLN A 6 2.432 -4.627 -3.424 1.00 0.00 H ATOM 90 N LEU A 7 1.228 -0.746 -0.127 1.00 0.00 N ATOM 91 CA LEU A 7 2.141 -1.021 1.017 1.00 0.00 C ATOM 92 C LEU A 7 1.369 -0.914 2.334 1.00 0.00 C ATOM 93 O LEU A 7 1.520 -1.731 3.221 1.00 0.00 O ATOM 94 CB LEU A 7 3.223 0.058 0.933 1.00 0.00 C ATOM 95 CG LEU A 7 4.503 -0.548 0.353 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.014 -1.648 1.283 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.205 -1.143 -1.025 1.00 0.00 C ATOM 98 H LEU A 7 1.428 -0.016 -0.752 1.00 0.00 H ATOM 99 HA LEU A 7 2.584 -1.998 0.919 1.00 0.00 H ATOM 100 HB2 LEU A 7 2.881 0.860 0.294 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.424 0.444 1.921 1.00 0.00 H ATOM 102 HG LEU A 7 5.255 0.224 0.259 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.929 -1.322 2.309 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.050 -1.858 1.058 1.00 0.00 H ATOM 105 HD13 LEU A 7 4.426 -2.543 1.140 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.726 -0.578 -1.782 1.00 0.00 H ATOM 107 HD22 LEU A 7 3.142 -1.102 -1.213 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.535 -2.171 -1.051 1.00 0.00 H ATOM 109 N GLU A 8 0.526 0.074 2.463 1.00 0.00 N ATOM 110 CA GLU A 8 -0.266 0.212 3.717 1.00 0.00 C ATOM 111 C GLU A 8 -1.181 -1.000 3.856 1.00 0.00 C ATOM 112 O GLU A 8 -1.527 -1.415 4.944 1.00 0.00 O ATOM 113 CB GLU A 8 -1.084 1.493 3.542 1.00 0.00 C ATOM 114 CG GLU A 8 -0.621 2.539 4.559 1.00 0.00 C ATOM 115 CD GLU A 8 -0.468 3.893 3.866 1.00 0.00 C ATOM 116 OE1 GLU A 8 0.583 4.128 3.292 1.00 0.00 O ATOM 117 OE2 GLU A 8 -1.404 4.674 3.920 1.00 0.00 O ATOM 118 H GLU A 8 0.403 0.713 1.733 1.00 0.00 H ATOM 119 HA GLU A 8 0.386 0.298 4.571 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.945 1.875 2.542 1.00 0.00 H ATOM 121 HB3 GLU A 8 -2.129 1.276 3.702 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.352 2.618 5.350 1.00 0.00 H ATOM 123 HG3 GLU A 8 0.330 2.240 4.974 1.00 0.00 H ATOM 124 N GLU A 9 -1.558 -1.579 2.751 1.00 0.00 N ATOM 125 CA GLU A 9 -2.435 -2.781 2.800 1.00 0.00 C ATOM 126 C GLU A 9 -1.580 -4.011 3.106 1.00 0.00 C ATOM 127 O GLU A 9 -2.065 -5.020 3.579 1.00 0.00 O ATOM 128 CB GLU A 9 -3.050 -2.885 1.403 1.00 0.00 C ATOM 129 CG GLU A 9 -4.523 -2.478 1.460 1.00 0.00 C ATOM 130 CD GLU A 9 -5.396 -3.728 1.585 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.952 -4.676 2.210 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.493 -3.715 1.053 1.00 0.00 O ATOM 133 H GLU A 9 -1.249 -1.228 1.886 1.00 0.00 H ATOM 134 HA GLU A 9 -3.207 -2.659 3.542 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.520 -2.229 0.727 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.974 -3.903 1.051 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.687 -1.836 2.313 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.785 -1.948 0.556 1.00 0.00 H ATOM 139 N PHE A 10 -0.305 -3.924 2.841 1.00 0.00 N ATOM 140 CA PHE A 10 0.602 -5.074 3.114 1.00 0.00 C ATOM 141 C PHE A 10 1.232 -4.919 4.502 1.00 0.00 C ATOM 142 O PHE A 10 1.815 -5.840 5.037 1.00 0.00 O ATOM 143 CB PHE A 10 1.673 -4.992 2.025 1.00 0.00 C ATOM 144 CG PHE A 10 2.252 -6.362 1.779 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.407 -7.473 1.674 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.637 -6.522 1.649 1.00 0.00 C ATOM 147 CE1 PHE A 10 1.947 -8.744 1.442 1.00 0.00 C ATOM 148 CE2 PHE A 10 4.177 -7.792 1.416 1.00 0.00 C ATOM 149 CZ PHE A 10 3.331 -8.903 1.312 1.00 0.00 C ATOM 150 H PHE A 10 0.058 -3.095 2.462 1.00 0.00 H ATOM 151 HA PHE A 10 0.067 -6.006 3.042 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.228 -4.620 1.113 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.457 -4.322 2.342 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.340 -7.351 1.774 1.00 0.00 H ATOM 155 HD2 PHE A 10 4.289 -5.665 1.729 1.00 0.00 H ATOM 156 HE1 PHE A 10 1.294 -9.601 1.362 1.00 0.00 H ATOM 157 HE2 PHE A 10 5.245 -7.914 1.315 1.00 0.00 H ATOM 158 HZ PHE A 10 3.748 -9.883 1.132 1.00 0.00 H ATOM 159 N LEU A 11 1.117 -3.757 5.085 1.00 0.00 N ATOM 160 CA LEU A 11 1.707 -3.538 6.437 1.00 0.00 C ATOM 161 C LEU A 11 0.602 -3.503 7.495 1.00 0.00 C ATOM 162 O LEU A 11 0.089 -2.454 7.827 1.00 0.00 O ATOM 163 CB LEU A 11 2.406 -2.180 6.349 1.00 0.00 C ATOM 164 CG LEU A 11 3.908 -2.361 6.586 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.594 -0.994 6.589 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.130 -3.045 7.937 1.00 0.00 C ATOM 167 H LEU A 11 0.641 -3.027 4.635 1.00 0.00 H ATOM 168 HA LEU A 11 2.426 -4.309 6.665 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.244 -1.755 5.369 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.003 -1.519 7.101 1.00 0.00 H ATOM 171 HG LEU A 11 4.325 -2.971 5.797 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.850 -0.217 6.502 1.00 0.00 H ATOM 173 HD12 LEU A 11 5.279 -0.932 5.756 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.140 -0.868 7.513 1.00 0.00 H ATOM 175 HD21 LEU A 11 5.059 -2.702 8.366 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.173 -4.115 7.795 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.315 -2.803 8.601 1.00 0.00 H HETATM 178 N NH2 A 12 0.206 -4.620 8.041 1.00 0.00 N HETATM 179 HN1 NH2 A 12 0.619 -5.469 7.774 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.505 -4.612 8.714 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 8 HETATM 1 C ACE A 1 -0.662 5.720 -4.057 1.00 0.00 C HETATM 2 O ACE A 1 -1.020 5.193 -3.021 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.201 7.179 -4.087 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.098 7.503 -5.111 1.00 0.00 H HETATM 5 H2 ACE A 1 0.752 7.266 -3.584 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.929 7.798 -3.585 1.00 0.00 H ATOM 7 N LEU A 2 -0.652 5.061 -5.183 1.00 0.00 N ATOM 8 CA LEU A 2 -1.087 3.637 -5.212 1.00 0.00 C ATOM 9 C LEU A 2 -0.038 2.763 -4.529 1.00 0.00 C ATOM 10 O LEU A 2 -0.356 1.796 -3.867 1.00 0.00 O ATOM 11 CB LEU A 2 -1.208 3.283 -6.695 1.00 0.00 C ATOM 12 CG LEU A 2 -2.112 2.058 -6.854 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.569 2.467 -6.633 1.00 0.00 C ATOM 14 CD2 LEU A 2 -1.951 1.486 -8.264 1.00 0.00 C ATOM 15 H LEU A 2 -0.354 5.500 -6.006 1.00 0.00 H ATOM 16 HA LEU A 2 -2.041 3.527 -4.725 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.634 4.118 -7.231 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.230 3.059 -7.093 1.00 0.00 H ATOM 19 HG LEU A 2 -1.834 1.310 -6.125 1.00 0.00 H ATOM 20 HD11 LEU A 2 -4.132 2.296 -7.539 1.00 0.00 H ATOM 21 HD12 LEU A 2 -3.615 3.514 -6.373 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.991 1.878 -5.832 1.00 0.00 H ATOM 23 HD21 LEU A 2 -1.122 1.971 -8.756 1.00 0.00 H ATOM 24 HD22 LEU A 2 -2.856 1.660 -8.828 1.00 0.00 H ATOM 25 HD23 LEU A 2 -1.764 0.425 -8.202 1.00 0.00 H ATOM 26 N VAL A 3 1.211 3.107 -4.672 1.00 0.00 N ATOM 27 CA VAL A 3 2.277 2.303 -4.013 1.00 0.00 C ATOM 28 C VAL A 3 2.168 2.474 -2.499 1.00 0.00 C ATOM 29 O VAL A 3 2.510 1.595 -1.731 1.00 0.00 O ATOM 30 CB VAL A 3 3.593 2.883 -4.531 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.745 2.409 -3.644 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.829 2.410 -5.968 1.00 0.00 C ATOM 33 H VAL A 3 1.445 3.899 -5.199 1.00 0.00 H ATOM 34 HA VAL A 3 2.194 1.263 -4.287 1.00 0.00 H ATOM 35 HB VAL A 3 3.543 3.962 -4.510 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.794 1.330 -3.665 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.581 2.742 -2.631 1.00 0.00 H ATOM 38 HG13 VAL A 3 5.675 2.818 -4.012 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.103 1.651 -6.220 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.824 1.999 -6.053 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.724 3.245 -6.644 1.00 0.00 H ATOM 42 N GLY A 4 1.672 3.604 -2.068 1.00 0.00 N ATOM 43 CA GLY A 4 1.519 3.842 -0.607 1.00 0.00 C ATOM 44 C GLY A 4 0.301 3.068 -0.113 1.00 0.00 C ATOM 45 O GLY A 4 0.354 2.372 0.881 1.00 0.00 O ATOM 46 H GLY A 4 1.387 4.289 -2.710 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.404 3.500 -0.089 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.373 4.896 -0.423 1.00 0.00 H ATOM 49 N ARG A 5 -0.796 3.172 -0.812 1.00 0.00 N ATOM 50 CA ARG A 5 -2.013 2.426 -0.392 1.00 0.00 C ATOM 51 C ARG A 5 -1.688 0.933 -0.319 1.00 0.00 C ATOM 52 O ARG A 5 -2.012 0.261 0.639 1.00 0.00 O ATOM 53 CB ARG A 5 -3.047 2.700 -1.483 1.00 0.00 C ATOM 54 CG ARG A 5 -3.815 3.981 -1.150 1.00 0.00 C ATOM 55 CD ARG A 5 -4.747 4.335 -2.311 1.00 0.00 C ATOM 56 NE ARG A 5 -6.112 3.994 -1.824 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.934 4.944 -1.470 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.476 6.025 -0.902 1.00 0.00 N ATOM 59 NH2 ARG A 5 -8.215 4.811 -1.685 1.00 0.00 N ATOM 60 H ARG A 5 -0.814 3.731 -1.620 1.00 0.00 H ATOM 61 HA ARG A 5 -2.370 2.785 0.561 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.545 2.817 -2.433 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.739 1.873 -1.541 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.397 3.829 -0.253 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.116 4.789 -0.993 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.679 5.390 -2.538 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.507 3.744 -3.181 1.00 0.00 H ATOM 68 HE ARG A 5 -6.393 3.056 -1.769 1.00 0.00 H ATOM 69 HH11 ARG A 5 -5.495 6.126 -0.737 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.106 6.753 -0.630 1.00 0.00 H ATOM 71 HH21 ARG A 5 -8.566 3.982 -2.121 1.00 0.00 H ATOM 72 HH22 ARG A 5 -8.845 5.539 -1.414 1.00 0.00 H ATOM 73 N GLN A 6 -1.037 0.416 -1.327 1.00 0.00 N ATOM 74 CA GLN A 6 -0.676 -1.029 -1.318 1.00 0.00 C ATOM 75 C GLN A 6 0.265 -1.320 -0.147 1.00 0.00 C ATOM 76 O GLN A 6 0.033 -2.216 0.640 1.00 0.00 O ATOM 77 CB GLN A 6 0.031 -1.272 -2.652 1.00 0.00 C ATOM 78 CG GLN A 6 -0.995 -1.236 -3.787 1.00 0.00 C ATOM 79 CD GLN A 6 -0.618 -2.270 -4.851 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.076 -1.959 -5.798 1.00 0.00 O ATOM 81 NE2 GLN A 6 -1.051 -3.496 -4.733 1.00 0.00 N ATOM 82 H GLN A 6 -0.778 0.981 -2.085 1.00 0.00 H ATOM 83 HA GLN A 6 -1.563 -1.640 -1.251 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.773 -0.503 -2.811 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.512 -2.238 -2.635 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.975 -1.463 -3.394 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.004 -0.253 -4.233 1.00 0.00 H ATOM 88 HE21 GLN A 6 -1.612 -3.747 -3.969 1.00 0.00 H ATOM 89 HE22 GLN A 6 -0.815 -4.166 -5.408 1.00 0.00 H ATOM 90 N LEU A 7 1.324 -0.565 -0.018 1.00 0.00 N ATOM 91 CA LEU A 7 2.267 -0.801 1.113 1.00 0.00 C ATOM 92 C LEU A 7 1.492 -0.847 2.432 1.00 0.00 C ATOM 93 O LEU A 7 1.630 -1.765 3.218 1.00 0.00 O ATOM 94 CB LEU A 7 3.222 0.393 1.089 1.00 0.00 C ATOM 95 CG LEU A 7 4.646 -0.082 1.385 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.345 -0.449 0.074 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.422 1.041 2.078 1.00 0.00 C ATOM 98 H LEU A 7 1.495 0.160 -0.659 1.00 0.00 H ATOM 99 HA LEU A 7 2.813 -1.718 0.964 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.193 0.857 0.114 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.921 1.110 1.838 1.00 0.00 H ATOM 102 HG LEU A 7 4.610 -0.949 2.029 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.978 0.368 -0.237 1.00 0.00 H ATOM 104 HD12 LEU A 7 4.603 -0.640 -0.688 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.945 -1.334 0.222 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.731 1.690 2.596 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.968 1.610 1.341 1.00 0.00 H ATOM 108 HD23 LEU A 7 6.114 0.614 2.789 1.00 0.00 H ATOM 109 N GLU A 8 0.663 0.132 2.673 1.00 0.00 N ATOM 110 CA GLU A 8 -0.129 0.137 3.931 1.00 0.00 C ATOM 111 C GLU A 8 -1.099 -1.040 3.913 1.00 0.00 C ATOM 112 O GLU A 8 -1.534 -1.521 4.941 1.00 0.00 O ATOM 113 CB GLU A 8 -0.886 1.466 3.925 1.00 0.00 C ATOM 114 CG GLU A 8 -0.484 2.287 5.152 1.00 0.00 C ATOM 115 CD GLU A 8 -1.521 3.386 5.394 1.00 0.00 C ATOM 116 OE1 GLU A 8 -2.395 3.542 4.558 1.00 0.00 O ATOM 117 OE2 GLU A 8 -1.422 4.051 6.412 1.00 0.00 O ATOM 118 H GLU A 8 0.555 0.854 2.021 1.00 0.00 H ATOM 119 HA GLU A 8 0.521 0.081 4.789 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.642 2.015 3.027 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.948 1.277 3.954 1.00 0.00 H ATOM 122 HG2 GLU A 8 -0.433 1.641 6.016 1.00 0.00 H ATOM 123 HG3 GLU A 8 0.482 2.739 4.981 1.00 0.00 H ATOM 124 N GLU A 9 -1.428 -1.517 2.745 1.00 0.00 N ATOM 125 CA GLU A 9 -2.356 -2.678 2.655 1.00 0.00 C ATOM 126 C GLU A 9 -1.582 -3.965 2.930 1.00 0.00 C ATOM 127 O GLU A 9 -2.136 -4.962 3.347 1.00 0.00 O ATOM 128 CB GLU A 9 -2.891 -2.660 1.222 1.00 0.00 C ATOM 129 CG GLU A 9 -4.421 -2.678 1.247 1.00 0.00 C ATOM 130 CD GLU A 9 -4.955 -1.313 0.807 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.244 -0.337 0.977 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.068 -1.269 0.308 1.00 0.00 O ATOM 133 H GLU A 9 -1.053 -1.120 1.929 1.00 0.00 H ATOM 134 HA GLU A 9 -3.165 -2.567 3.357 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.547 -1.767 0.720 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.533 -3.531 0.694 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.782 -3.441 0.573 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.763 -2.889 2.249 1.00 0.00 H ATOM 139 N PHE A 10 -0.296 -3.941 2.711 1.00 0.00 N ATOM 140 CA PHE A 10 0.528 -5.152 2.974 1.00 0.00 C ATOM 141 C PHE A 10 1.041 -5.111 4.413 1.00 0.00 C ATOM 142 O PHE A 10 1.463 -6.108 4.964 1.00 0.00 O ATOM 143 CB PHE A 10 1.691 -5.067 1.984 1.00 0.00 C ATOM 144 CG PHE A 10 2.690 -6.160 2.285 1.00 0.00 C ATOM 145 CD1 PHE A 10 3.639 -5.981 3.299 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.667 -7.351 1.550 1.00 0.00 C ATOM 147 CE1 PHE A 10 4.565 -6.994 3.578 1.00 0.00 C ATOM 148 CE2 PHE A 10 3.593 -8.364 1.828 1.00 0.00 C ATOM 149 CZ PHE A 10 4.542 -8.186 2.843 1.00 0.00 C ATOM 150 H PHE A 10 0.131 -3.119 2.386 1.00 0.00 H ATOM 151 HA PHE A 10 -0.046 -6.048 2.799 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.318 -5.189 0.978 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.174 -4.106 2.076 1.00 0.00 H ATOM 154 HD1 PHE A 10 3.657 -5.063 3.867 1.00 0.00 H ATOM 155 HD2 PHE A 10 1.936 -7.487 0.767 1.00 0.00 H ATOM 156 HE1 PHE A 10 5.296 -6.858 4.360 1.00 0.00 H ATOM 157 HE2 PHE A 10 3.575 -9.282 1.261 1.00 0.00 H ATOM 158 HZ PHE A 10 5.256 -8.967 3.057 1.00 0.00 H ATOM 159 N LEU A 11 1.004 -3.958 5.024 1.00 0.00 N ATOM 160 CA LEU A 11 1.485 -3.843 6.431 1.00 0.00 C ATOM 161 C LEU A 11 0.415 -4.356 7.398 1.00 0.00 C ATOM 162 O LEU A 11 -0.681 -4.694 6.995 1.00 0.00 O ATOM 163 CB LEU A 11 1.728 -2.349 6.644 1.00 0.00 C ATOM 164 CG LEU A 11 2.893 -2.155 7.616 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.217 -2.315 6.866 1.00 0.00 C ATOM 166 CD2 LEU A 11 2.817 -0.753 8.224 1.00 0.00 C ATOM 167 H LEU A 11 0.656 -3.165 4.556 1.00 0.00 H ATOM 168 HA LEU A 11 2.406 -4.389 6.560 1.00 0.00 H ATOM 169 HB2 LEU A 11 1.966 -1.884 5.699 1.00 0.00 H ATOM 170 HB3 LEU A 11 0.839 -1.895 7.056 1.00 0.00 H ATOM 171 HG LEU A 11 2.832 -2.894 8.402 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.064 -2.937 5.996 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.945 -2.777 7.516 1.00 0.00 H ATOM 174 HD13 LEU A 11 4.575 -1.345 6.556 1.00 0.00 H ATOM 175 HD21 LEU A 11 3.333 -0.744 9.173 1.00 0.00 H ATOM 176 HD22 LEU A 11 1.782 -0.482 8.375 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.281 -0.045 7.554 1.00 0.00 H HETATM 178 N NH2 A 12 0.690 -4.429 8.672 1.00 0.00 N HETATM 179 HN1 NH2 A 12 1.573 -4.158 9.000 1.00 0.00 H HETATM 180 HN2 NH2 A 12 0.013 -4.756 9.302 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 9 HETATM 1 C ACE A 1 -0.704 5.458 -4.236 1.00 0.00 C HETATM 2 O ACE A 1 -1.016 5.066 -3.126 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.329 6.922 -4.484 1.00 0.00 C HETATM 4 H1 ACE A 1 0.644 7.120 -4.061 1.00 0.00 H HETATM 5 H2 ACE A 1 -1.062 7.564 -4.019 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.306 7.113 -5.547 1.00 0.00 H ATOM 7 N LEU A 2 -0.676 4.645 -5.258 1.00 0.00 N ATOM 8 CA LEU A 2 -1.031 3.209 -5.073 1.00 0.00 C ATOM 9 C LEU A 2 0.100 2.477 -4.352 1.00 0.00 C ATOM 10 O LEU A 2 -0.122 1.507 -3.657 1.00 0.00 O ATOM 11 CB LEU A 2 -1.219 2.650 -6.484 1.00 0.00 C ATOM 12 CG LEU A 2 -2.346 1.614 -6.475 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.677 2.311 -6.188 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.413 0.923 -7.839 1.00 0.00 C ATOM 15 H LEU A 2 -0.421 4.978 -6.144 1.00 0.00 H ATOM 16 HA LEU A 2 -1.949 3.120 -4.516 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.472 3.452 -7.160 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.304 2.178 -6.810 1.00 0.00 H ATOM 19 HG LEU A 2 -2.152 0.880 -5.705 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.497 3.210 -5.618 1.00 0.00 H ATOM 21 HD12 LEU A 2 -4.316 1.647 -5.623 1.00 0.00 H ATOM 22 HD13 LEU A 2 -4.158 2.566 -7.122 1.00 0.00 H ATOM 23 HD21 LEU A 2 -2.983 0.009 -7.751 1.00 0.00 H ATOM 24 HD22 LEU A 2 -1.413 0.692 -8.175 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.892 1.578 -8.552 1.00 0.00 H ATOM 26 N VAL A 3 1.309 2.938 -4.501 1.00 0.00 N ATOM 27 CA VAL A 3 2.442 2.268 -3.805 1.00 0.00 C ATOM 28 C VAL A 3 2.301 2.491 -2.301 1.00 0.00 C ATOM 29 O VAL A 3 2.674 1.660 -1.494 1.00 0.00 O ATOM 30 CB VAL A 3 3.704 2.943 -4.345 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.615 4.455 -4.132 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.929 2.398 -3.607 1.00 0.00 C ATOM 33 H VAL A 3 1.470 3.728 -5.058 1.00 0.00 H ATOM 34 HA VAL A 3 2.455 1.214 -4.033 1.00 0.00 H ATOM 35 HB VAL A 3 3.797 2.735 -5.401 1.00 0.00 H ATOM 36 HG11 VAL A 3 2.585 4.737 -3.967 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.990 4.964 -5.008 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.206 4.733 -3.274 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.629 1.588 -2.959 1.00 0.00 H ATOM 40 HG22 VAL A 3 5.373 3.187 -3.017 1.00 0.00 H ATOM 41 HG23 VAL A 3 5.650 2.037 -4.325 1.00 0.00 H ATOM 42 N GLY A 4 1.734 3.604 -1.922 1.00 0.00 N ATOM 43 CA GLY A 4 1.540 3.882 -0.475 1.00 0.00 C ATOM 44 C GLY A 4 0.303 3.129 -0.006 1.00 0.00 C ATOM 45 O GLY A 4 0.348 2.365 0.938 1.00 0.00 O ATOM 46 H GLY A 4 1.418 4.246 -2.592 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.406 3.546 0.079 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.396 4.941 -0.322 1.00 0.00 H ATOM 49 N ARG A 5 -0.803 3.319 -0.671 1.00 0.00 N ATOM 50 CA ARG A 5 -2.036 2.590 -0.271 1.00 0.00 C ATOM 51 C ARG A 5 -1.730 1.092 -0.222 1.00 0.00 C ATOM 52 O ARG A 5 -2.110 0.395 0.698 1.00 0.00 O ATOM 53 CB ARG A 5 -3.057 2.897 -1.368 1.00 0.00 C ATOM 54 CG ARG A 5 -4.360 2.151 -1.078 1.00 0.00 C ATOM 55 CD ARG A 5 -5.550 3.038 -1.445 1.00 0.00 C ATOM 56 NE ARG A 5 -5.760 2.815 -2.902 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.856 3.231 -3.474 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.999 3.119 -2.852 1.00 0.00 N ATOM 59 NH2 ARG A 5 -6.809 3.758 -4.667 1.00 0.00 N ATOM 60 H ARG A 5 -0.815 3.929 -1.443 1.00 0.00 H ATOM 61 HA ARG A 5 -2.394 2.939 0.685 1.00 0.00 H ATOM 62 HB2 ARG A 5 -3.249 3.960 -1.393 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.667 2.579 -2.323 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.392 1.242 -1.662 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.408 1.906 -0.028 1.00 0.00 H ATOM 66 HD2 ARG A 5 -6.426 2.739 -0.886 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.319 4.075 -1.259 1.00 0.00 H ATOM 68 HE ARG A 5 -5.074 2.358 -3.431 1.00 0.00 H ATOM 69 HH11 ARG A 5 -8.033 2.716 -1.938 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.840 3.436 -3.291 1.00 0.00 H ATOM 71 HH21 ARG A 5 -5.933 3.843 -5.142 1.00 0.00 H ATOM 72 HH22 ARG A 5 -7.649 4.076 -5.106 1.00 0.00 H ATOM 73 N GLN A 6 -1.026 0.602 -1.206 1.00 0.00 N ATOM 74 CA GLN A 6 -0.669 -0.843 -1.227 1.00 0.00 C ATOM 75 C GLN A 6 0.243 -1.165 -0.043 1.00 0.00 C ATOM 76 O GLN A 6 0.034 -2.128 0.667 1.00 0.00 O ATOM 77 CB GLN A 6 0.072 -1.049 -2.549 1.00 0.00 C ATOM 78 CG GLN A 6 0.488 -2.517 -2.682 1.00 0.00 C ATOM 79 CD GLN A 6 0.491 -2.917 -4.159 1.00 0.00 C ATOM 80 OE1 GLN A 6 -0.543 -2.931 -4.797 1.00 0.00 O ATOM 81 NE2 GLN A 6 1.616 -3.241 -4.734 1.00 0.00 N ATOM 82 H GLN A 6 -0.724 1.190 -1.926 1.00 0.00 H ATOM 83 HA GLN A 6 -1.558 -1.454 -1.201 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.578 -0.783 -3.370 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.954 -0.424 -2.571 1.00 0.00 H ATOM 86 HG2 GLN A 6 1.479 -2.649 -2.270 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.212 -3.139 -2.145 1.00 0.00 H ATOM 88 HE21 GLN A 6 2.451 -3.228 -4.220 1.00 0.00 H ATOM 89 HE22 GLN A 6 1.626 -3.500 -5.678 1.00 0.00 H ATOM 90 N LEU A 7 1.254 -0.366 0.179 1.00 0.00 N ATOM 91 CA LEU A 7 2.172 -0.632 1.325 1.00 0.00 C ATOM 92 C LEU A 7 1.370 -0.720 2.626 1.00 0.00 C ATOM 93 O LEU A 7 1.436 -1.702 3.341 1.00 0.00 O ATOM 94 CB LEU A 7 3.130 0.559 1.358 1.00 0.00 C ATOM 95 CG LEU A 7 4.537 0.087 0.985 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.351 1.270 0.457 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.223 -0.492 2.224 1.00 0.00 C ATOM 98 H LEU A 7 1.409 0.410 -0.405 1.00 0.00 H ATOM 99 HA LEU A 7 2.721 -1.544 1.160 1.00 0.00 H ATOM 100 HB2 LEU A 7 2.801 1.308 0.652 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.146 0.982 2.351 1.00 0.00 H ATOM 102 HG LEU A 7 4.469 -0.673 0.219 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.415 1.211 -0.619 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.345 1.239 0.878 1.00 0.00 H ATOM 105 HD13 LEU A 7 4.870 2.194 0.740 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.490 -0.643 3.003 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.980 0.195 2.571 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.682 -1.437 1.972 1.00 0.00 H ATOM 109 N GLU A 8 0.599 0.290 2.936 1.00 0.00 N ATOM 110 CA GLU A 8 -0.212 0.242 4.184 1.00 0.00 C ATOM 111 C GLU A 8 -1.185 -0.929 4.085 1.00 0.00 C ATOM 112 O GLU A 8 -1.625 -1.480 5.074 1.00 0.00 O ATOM 113 CB GLU A 8 -0.968 1.572 4.232 1.00 0.00 C ATOM 114 CG GLU A 8 -0.116 2.622 4.950 1.00 0.00 C ATOM 115 CD GLU A 8 -0.933 3.904 5.131 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.992 3.828 5.732 1.00 0.00 O ATOM 117 OE2 GLU A 8 -0.487 4.938 4.662 1.00 0.00 O ATOM 118 H GLU A 8 0.544 1.067 2.342 1.00 0.00 H ATOM 119 HA GLU A 8 0.424 0.138 5.048 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.174 1.904 3.225 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.895 1.439 4.766 1.00 0.00 H ATOM 122 HG2 GLU A 8 0.181 2.245 5.918 1.00 0.00 H ATOM 123 HG3 GLU A 8 0.763 2.839 4.363 1.00 0.00 H ATOM 124 N GLU A 9 -1.507 -1.316 2.883 1.00 0.00 N ATOM 125 CA GLU A 9 -2.435 -2.463 2.682 1.00 0.00 C ATOM 126 C GLU A 9 -1.630 -3.764 2.668 1.00 0.00 C ATOM 127 O GLU A 9 -2.166 -4.848 2.792 1.00 0.00 O ATOM 128 CB GLU A 9 -3.081 -2.201 1.318 1.00 0.00 C ATOM 129 CG GLU A 9 -3.942 -3.395 0.905 1.00 0.00 C ATOM 130 CD GLU A 9 -5.392 -3.151 1.323 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.941 -2.137 0.922 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.930 -3.982 2.036 1.00 0.00 O ATOM 133 H GLU A 9 -1.122 -0.855 2.104 1.00 0.00 H ATOM 134 HA GLU A 9 -3.186 -2.486 3.454 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.701 -1.316 1.379 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.309 -2.045 0.579 1.00 0.00 H ATOM 137 HG2 GLU A 9 -3.893 -3.520 -0.168 1.00 0.00 H ATOM 138 HG3 GLU A 9 -3.577 -4.288 1.386 1.00 0.00 H ATOM 139 N PHE A 10 -0.338 -3.657 2.526 1.00 0.00 N ATOM 140 CA PHE A 10 0.521 -4.875 2.505 1.00 0.00 C ATOM 141 C PHE A 10 1.140 -5.107 3.886 1.00 0.00 C ATOM 142 O PHE A 10 1.684 -6.157 4.162 1.00 0.00 O ATOM 143 CB PHE A 10 1.609 -4.567 1.476 1.00 0.00 C ATOM 144 CG PHE A 10 2.632 -5.677 1.478 1.00 0.00 C ATOM 145 CD1 PHE A 10 2.217 -7.012 1.417 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.996 -5.369 1.542 1.00 0.00 C ATOM 147 CE1 PHE A 10 3.168 -8.040 1.420 1.00 0.00 C ATOM 148 CE2 PHE A 10 4.946 -6.396 1.544 1.00 0.00 C ATOM 149 CZ PHE A 10 4.532 -7.731 1.483 1.00 0.00 C ATOM 150 H PHE A 10 0.072 -2.772 2.435 1.00 0.00 H ATOM 151 HA PHE A 10 -0.049 -5.736 2.195 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.164 -4.488 0.496 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.089 -3.634 1.730 1.00 0.00 H ATOM 154 HD1 PHE A 10 1.165 -7.248 1.370 1.00 0.00 H ATOM 155 HD2 PHE A 10 4.316 -4.338 1.589 1.00 0.00 H ATOM 156 HE1 PHE A 10 2.849 -9.070 1.372 1.00 0.00 H ATOM 157 HE2 PHE A 10 5.998 -6.158 1.592 1.00 0.00 H ATOM 158 HZ PHE A 10 5.265 -8.524 1.485 1.00 0.00 H ATOM 159 N LEU A 11 1.064 -4.128 4.749 1.00 0.00 N ATOM 160 CA LEU A 11 1.651 -4.280 6.114 1.00 0.00 C ATOM 161 C LEU A 11 1.398 -5.689 6.656 1.00 0.00 C ATOM 162 O LEU A 11 2.213 -6.236 7.373 1.00 0.00 O ATOM 163 CB LEU A 11 0.929 -3.240 6.970 1.00 0.00 C ATOM 164 CG LEU A 11 1.432 -3.327 8.411 1.00 0.00 C ATOM 165 CD1 LEU A 11 2.899 -2.892 8.468 1.00 0.00 C ATOM 166 CD2 LEU A 11 0.592 -2.406 9.299 1.00 0.00 C ATOM 167 H LEU A 11 0.623 -3.289 4.497 1.00 0.00 H ATOM 168 HA LEU A 11 2.708 -4.069 6.093 1.00 0.00 H ATOM 169 HB2 LEU A 11 1.124 -2.253 6.579 1.00 0.00 H ATOM 170 HB3 LEU A 11 -0.134 -3.433 6.950 1.00 0.00 H ATOM 171 HG LEU A 11 1.347 -4.346 8.763 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.471 -3.625 9.018 1.00 0.00 H ATOM 173 HD12 LEU A 11 2.971 -1.934 8.962 1.00 0.00 H ATOM 174 HD13 LEU A 11 3.289 -2.810 7.464 1.00 0.00 H ATOM 175 HD21 LEU A 11 1.164 -1.524 9.546 1.00 0.00 H ATOM 176 HD22 LEU A 11 0.323 -2.926 10.206 1.00 0.00 H ATOM 177 HD23 LEU A 11 -0.305 -2.117 8.770 1.00 0.00 H HETATM 178 N NH2 A 12 0.295 -6.309 6.337 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.364 -5.869 5.759 1.00 0.00 H HETATM 180 HN2 NH2 A 12 0.126 -7.213 6.674 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 10 HETATM 1 C ACE A 1 -0.440 5.620 -4.087 1.00 0.00 C HETATM 2 O ACE A 1 -1.008 5.086 -3.152 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.173 7.018 -3.953 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.380 7.713 -4.567 1.00 0.00 H HETATM 5 H2 ACE A 1 1.202 6.992 -4.276 1.00 0.00 H HETATM 6 H3 ACE A 1 0.126 7.334 -2.921 1.00 0.00 H ATOM 7 N LEU A 2 -0.319 5.020 -5.240 1.00 0.00 N ATOM 8 CA LEU A 2 -0.884 3.657 -5.432 1.00 0.00 C ATOM 9 C LEU A 2 -0.074 2.663 -4.611 1.00 0.00 C ATOM 10 O LEU A 2 -0.612 1.830 -3.907 1.00 0.00 O ATOM 11 CB LEU A 2 -0.732 3.372 -6.926 1.00 0.00 C ATOM 12 CG LEU A 2 -2.108 3.316 -7.582 1.00 0.00 C ATOM 13 CD1 LEU A 2 -1.942 3.186 -9.097 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.873 2.104 -7.050 1.00 0.00 C ATOM 15 H LEU A 2 0.153 5.459 -5.976 1.00 0.00 H ATOM 16 HA LEU A 2 -1.924 3.630 -5.146 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.147 4.157 -7.381 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.231 2.426 -7.061 1.00 0.00 H ATOM 19 HG LEU A 2 -2.655 4.219 -7.355 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.338 4.067 -9.579 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.475 2.314 -9.444 1.00 0.00 H ATOM 22 HD13 LEU A 2 -0.893 3.086 -9.334 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.214 2.306 -6.046 1.00 0.00 H ATOM 24 HD22 LEU A 2 -2.222 1.242 -7.044 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.725 1.908 -7.686 1.00 0.00 H ATOM 26 N VAL A 3 1.223 2.757 -4.683 1.00 0.00 N ATOM 27 CA VAL A 3 2.071 1.831 -3.888 1.00 0.00 C ATOM 28 C VAL A 3 1.956 2.205 -2.409 1.00 0.00 C ATOM 29 O VAL A 3 2.248 1.417 -1.531 1.00 0.00 O ATOM 30 CB VAL A 3 3.498 2.024 -4.414 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.161 3.229 -3.739 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.315 0.766 -4.119 1.00 0.00 C ATOM 33 H VAL A 3 1.634 3.449 -5.246 1.00 0.00 H ATOM 34 HA VAL A 3 1.754 0.810 -4.040 1.00 0.00 H ATOM 35 HB VAL A 3 3.467 2.185 -5.481 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.753 3.767 -4.465 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.800 2.888 -2.939 1.00 0.00 H ATOM 38 HG13 VAL A 3 3.400 3.883 -3.338 1.00 0.00 H ATOM 39 HG21 VAL A 3 5.169 0.729 -4.778 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.700 -0.107 -4.277 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.653 0.788 -3.093 1.00 0.00 H ATOM 42 N GLY A 4 1.498 3.400 -2.135 1.00 0.00 N ATOM 43 CA GLY A 4 1.327 3.826 -0.722 1.00 0.00 C ATOM 44 C GLY A 4 0.129 3.075 -0.159 1.00 0.00 C ATOM 45 O GLY A 4 0.205 2.449 0.881 1.00 0.00 O ATOM 46 H GLY A 4 1.244 4.005 -2.862 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.215 3.583 -0.156 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.141 4.888 -0.677 1.00 0.00 H ATOM 49 N ARG A 5 -0.972 3.104 -0.861 1.00 0.00 N ATOM 50 CA ARG A 5 -2.167 2.356 -0.381 1.00 0.00 C ATOM 51 C ARG A 5 -1.802 0.876 -0.295 1.00 0.00 C ATOM 52 O ARG A 5 -2.185 0.177 0.625 1.00 0.00 O ATOM 53 CB ARG A 5 -3.244 2.592 -1.440 1.00 0.00 C ATOM 54 CG ARG A 5 -3.725 4.042 -1.358 1.00 0.00 C ATOM 55 CD ARG A 5 -5.140 4.148 -1.936 1.00 0.00 C ATOM 56 NE ARG A 5 -5.027 5.097 -3.080 1.00 0.00 N ATOM 57 CZ ARG A 5 -4.446 6.254 -2.919 1.00 0.00 C ATOM 58 NH1 ARG A 5 -4.476 6.842 -1.754 1.00 0.00 N ATOM 59 NH2 ARG A 5 -3.831 6.820 -3.922 1.00 0.00 N ATOM 60 H ARG A 5 -1.002 3.597 -1.716 1.00 0.00 H ATOM 61 HA ARG A 5 -2.493 2.728 0.577 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.833 2.402 -2.422 1.00 0.00 H ATOM 63 HB3 ARG A 5 -4.076 1.928 -1.261 1.00 0.00 H ATOM 64 HG2 ARG A 5 -3.735 4.358 -0.326 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.058 4.677 -1.922 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.476 3.180 -2.281 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.820 4.543 -1.195 1.00 0.00 H ATOM 68 HE ARG A 5 -5.394 4.852 -3.955 1.00 0.00 H ATOM 69 HH11 ARG A 5 -4.944 6.406 -0.987 1.00 0.00 H ATOM 70 HH12 ARG A 5 -4.030 7.729 -1.629 1.00 0.00 H ATOM 71 HH21 ARG A 5 -3.807 6.366 -4.814 1.00 0.00 H ATOM 72 HH22 ARG A 5 -3.386 7.706 -3.800 1.00 0.00 H ATOM 73 N GLN A 6 -1.039 0.402 -1.244 1.00 0.00 N ATOM 74 CA GLN A 6 -0.612 -1.024 -1.224 1.00 0.00 C ATOM 75 C GLN A 6 0.314 -1.263 -0.026 1.00 0.00 C ATOM 76 O GLN A 6 0.303 -2.316 0.578 1.00 0.00 O ATOM 77 CB GLN A 6 0.145 -1.234 -2.542 1.00 0.00 C ATOM 78 CG GLN A 6 -0.837 -1.624 -3.649 1.00 0.00 C ATOM 79 CD GLN A 6 -0.076 -2.309 -4.786 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.851 -1.748 -5.338 1.00 0.00 O ATOM 81 NE2 GLN A 6 -0.432 -3.508 -5.165 1.00 0.00 N ATOM 82 H GLN A 6 -0.733 0.994 -1.964 1.00 0.00 H ATOM 83 HA GLN A 6 -1.470 -1.679 -1.180 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.648 -0.318 -2.815 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.874 -2.022 -2.417 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.578 -2.301 -3.250 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.325 -0.738 -4.029 1.00 0.00 H ATOM 88 HE21 GLN A 6 -1.181 -3.959 -4.723 1.00 0.00 H ATOM 89 HE22 GLN A 6 0.048 -3.955 -5.894 1.00 0.00 H ATOM 90 N LEU A 7 1.113 -0.288 0.328 1.00 0.00 N ATOM 91 CA LEU A 7 2.032 -0.466 1.493 1.00 0.00 C ATOM 92 C LEU A 7 1.219 -0.583 2.781 1.00 0.00 C ATOM 93 O LEU A 7 1.371 -1.517 3.542 1.00 0.00 O ATOM 94 CB LEU A 7 2.903 0.792 1.524 1.00 0.00 C ATOM 95 CG LEU A 7 4.305 0.458 1.008 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.938 1.708 0.392 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.173 -0.031 2.171 1.00 0.00 C ATOM 98 H LEU A 7 1.107 0.557 -0.168 1.00 0.00 H ATOM 99 HA LEU A 7 2.645 -1.339 1.357 1.00 0.00 H ATOM 100 HB2 LEU A 7 2.459 1.553 0.898 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.973 1.156 2.538 1.00 0.00 H ATOM 102 HG LEU A 7 4.237 -0.316 0.259 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.386 2.581 0.702 1.00 0.00 H ATOM 104 HD12 LEU A 7 4.913 1.631 -0.686 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.963 1.791 0.722 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.877 -1.034 2.446 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.045 0.626 3.018 1.00 0.00 H ATOM 108 HD23 LEU A 7 6.210 -0.033 1.871 1.00 0.00 H ATOM 109 N GLU A 8 0.343 0.351 3.021 1.00 0.00 N ATOM 110 CA GLU A 8 -0.492 0.281 4.250 1.00 0.00 C ATOM 111 C GLU A 8 -1.359 -0.971 4.174 1.00 0.00 C ATOM 112 O GLU A 8 -1.749 -1.538 5.177 1.00 0.00 O ATOM 113 CB GLU A 8 -1.352 1.546 4.215 1.00 0.00 C ATOM 114 CG GLU A 8 -2.134 1.673 5.524 1.00 0.00 C ATOM 115 CD GLU A 8 -3.336 0.726 5.492 1.00 0.00 C ATOM 116 OE1 GLU A 8 -3.790 0.414 4.404 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.783 0.329 6.555 1.00 0.00 O ATOM 118 H GLU A 8 0.226 1.088 2.389 1.00 0.00 H ATOM 119 HA GLU A 8 0.127 0.266 5.133 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.715 2.411 4.090 1.00 0.00 H ATOM 121 HB3 GLU A 8 -2.045 1.487 3.390 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.493 1.415 6.356 1.00 0.00 H ATOM 123 HG3 GLU A 8 -2.483 2.688 5.639 1.00 0.00 H ATOM 124 N GLU A 9 -1.642 -1.415 2.980 1.00 0.00 N ATOM 125 CA GLU A 9 -2.466 -2.644 2.816 1.00 0.00 C ATOM 126 C GLU A 9 -1.546 -3.862 2.741 1.00 0.00 C ATOM 127 O GLU A 9 -1.978 -4.992 2.855 1.00 0.00 O ATOM 128 CB GLU A 9 -3.220 -2.452 1.498 1.00 0.00 C ATOM 129 CG GLU A 9 -4.078 -3.687 1.219 1.00 0.00 C ATOM 130 CD GLU A 9 -5.556 -3.332 1.391 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.894 -2.766 2.419 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.325 -3.635 0.493 1.00 0.00 O ATOM 133 H GLU A 9 -1.298 -0.944 2.190 1.00 0.00 H ATOM 134 HA GLU A 9 -3.162 -2.744 3.632 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.853 -1.580 1.569 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.512 -2.318 0.693 1.00 0.00 H ATOM 137 HG2 GLU A 9 -3.903 -4.029 0.209 1.00 0.00 H ATOM 138 HG3 GLU A 9 -3.817 -4.472 1.914 1.00 0.00 H ATOM 139 N PHE A 10 -0.274 -3.637 2.561 1.00 0.00 N ATOM 140 CA PHE A 10 0.685 -4.772 2.488 1.00 0.00 C ATOM 141 C PHE A 10 1.388 -4.934 3.838 1.00 0.00 C ATOM 142 O PHE A 10 2.019 -5.937 4.108 1.00 0.00 O ATOM 143 CB PHE A 10 1.688 -4.378 1.401 1.00 0.00 C ATOM 144 CG PHE A 10 2.771 -5.427 1.295 1.00 0.00 C ATOM 145 CD1 PHE A 10 2.426 -6.774 1.145 1.00 0.00 C ATOM 146 CD2 PHE A 10 4.119 -5.049 1.350 1.00 0.00 C ATOM 147 CE1 PHE A 10 3.429 -7.747 1.045 1.00 0.00 C ATOM 148 CE2 PHE A 10 5.123 -6.023 1.252 1.00 0.00 C ATOM 149 CZ PHE A 10 4.778 -7.372 1.101 1.00 0.00 C ATOM 150 H PHE A 10 0.051 -2.718 2.476 1.00 0.00 H ATOM 151 HA PHE A 10 0.177 -5.682 2.212 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.175 -4.295 0.452 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.133 -3.426 1.650 1.00 0.00 H ATOM 154 HD1 PHE A 10 1.387 -7.064 1.102 1.00 0.00 H ATOM 155 HD2 PHE A 10 4.386 -4.009 1.468 1.00 0.00 H ATOM 156 HE1 PHE A 10 3.163 -8.787 0.929 1.00 0.00 H ATOM 157 HE2 PHE A 10 6.164 -5.733 1.292 1.00 0.00 H ATOM 158 HZ PHE A 10 5.551 -8.123 1.025 1.00 0.00 H ATOM 159 N LEU A 11 1.282 -3.949 4.692 1.00 0.00 N ATOM 160 CA LEU A 11 1.945 -4.042 6.026 1.00 0.00 C ATOM 161 C LEU A 11 0.905 -4.247 7.129 1.00 0.00 C ATOM 162 O LEU A 11 0.630 -3.349 7.900 1.00 0.00 O ATOM 163 CB LEU A 11 2.655 -2.701 6.206 1.00 0.00 C ATOM 164 CG LEU A 11 3.995 -2.921 6.907 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.962 -3.623 5.952 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.579 -1.570 7.324 1.00 0.00 C ATOM 167 H LEU A 11 0.765 -3.147 4.455 1.00 0.00 H ATOM 168 HA LEU A 11 2.667 -4.843 6.034 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.821 -2.248 5.239 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.040 -2.047 6.808 1.00 0.00 H ATOM 171 HG LEU A 11 3.845 -3.537 7.782 1.00 0.00 H ATOM 172 HD11 LEU A 11 5.875 -3.863 6.476 1.00 0.00 H ATOM 173 HD12 LEU A 11 5.185 -2.970 5.121 1.00 0.00 H ATOM 174 HD13 LEU A 11 4.508 -4.532 5.583 1.00 0.00 H ATOM 175 HD21 LEU A 11 4.020 -0.775 6.853 1.00 0.00 H ATOM 176 HD22 LEU A 11 5.613 -1.514 7.016 1.00 0.00 H ATOM 177 HD23 LEU A 11 4.517 -1.466 8.396 1.00 0.00 H HETATM 178 N NH2 A 12 0.314 -5.404 7.243 1.00 0.00 N HETATM 179 HN1 NH2 A 12 0.533 -6.131 6.623 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.350 -5.547 7.951 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 11 HETATM 1 C ACE A 1 -0.668 5.555 -4.088 1.00 0.00 C HETATM 2 O ACE A 1 -1.135 5.020 -3.100 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.273 7.034 -4.077 1.00 0.00 C HETATM 4 H1 ACE A 1 -1.091 7.622 -3.688 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.047 7.354 -5.083 1.00 0.00 H HETATM 6 H3 ACE A 1 0.597 7.169 -3.451 1.00 0.00 H ATOM 7 N LEU A 2 -0.480 4.889 -5.195 1.00 0.00 N ATOM 8 CA LEU A 2 -0.841 3.446 -5.263 1.00 0.00 C ATOM 9 C LEU A 2 0.150 2.630 -4.438 1.00 0.00 C ATOM 10 O LEU A 2 -0.212 1.685 -3.765 1.00 0.00 O ATOM 11 CB LEU A 2 -0.744 3.079 -6.743 1.00 0.00 C ATOM 12 CG LEU A 2 -1.811 3.840 -7.530 1.00 0.00 C ATOM 13 CD1 LEU A 2 -1.258 4.217 -8.906 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.046 2.955 -7.704 1.00 0.00 C ATOM 15 H LEU A 2 -0.096 5.336 -5.977 1.00 0.00 H ATOM 16 HA LEU A 2 -1.846 3.292 -4.906 1.00 0.00 H ATOM 17 HB2 LEU A 2 0.236 3.341 -7.115 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.902 2.017 -6.861 1.00 0.00 H ATOM 19 HG LEU A 2 -2.081 4.739 -6.993 1.00 0.00 H ATOM 20 HD11 LEU A 2 -1.700 5.148 -9.228 1.00 0.00 H ATOM 21 HD12 LEU A 2 -1.499 3.439 -9.616 1.00 0.00 H ATOM 22 HD13 LEU A 2 -0.186 4.329 -8.845 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.063 2.552 -8.707 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.937 3.541 -7.537 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.011 2.144 -6.992 1.00 0.00 H ATOM 26 N VAL A 3 1.399 2.998 -4.473 1.00 0.00 N ATOM 27 CA VAL A 3 2.414 2.253 -3.679 1.00 0.00 C ATOM 28 C VAL A 3 2.190 2.525 -2.192 1.00 0.00 C ATOM 29 O VAL A 3 2.541 1.730 -1.341 1.00 0.00 O ATOM 30 CB VAL A 3 3.764 2.808 -4.133 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.889 1.938 -3.572 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.828 2.800 -5.662 1.00 0.00 C ATOM 33 H VAL A 3 1.668 3.772 -5.015 1.00 0.00 H ATOM 34 HA VAL A 3 2.356 1.196 -3.886 1.00 0.00 H ATOM 35 HB VAL A 3 3.876 3.819 -3.771 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.751 2.002 -4.220 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.557 0.911 -3.516 1.00 0.00 H ATOM 38 HG13 VAL A 3 5.154 2.284 -2.584 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.450 3.737 -6.043 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.227 1.988 -6.044 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.853 2.669 -5.979 1.00 0.00 H ATOM 42 N GLY A 4 1.591 3.642 -1.876 1.00 0.00 N ATOM 43 CA GLY A 4 1.328 3.970 -0.448 1.00 0.00 C ATOM 44 C GLY A 4 0.116 3.172 0.025 1.00 0.00 C ATOM 45 O GLY A 4 0.140 2.542 1.064 1.00 0.00 O ATOM 46 H GLY A 4 1.305 4.260 -2.581 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.191 3.710 0.149 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.122 5.024 -0.350 1.00 0.00 H ATOM 49 N ARG A 5 -0.942 3.183 -0.739 1.00 0.00 N ATOM 50 CA ARG A 5 -2.152 2.410 -0.338 1.00 0.00 C ATOM 51 C ARG A 5 -1.826 0.916 -0.339 1.00 0.00 C ATOM 52 O ARG A 5 -2.177 0.190 0.571 1.00 0.00 O ATOM 53 CB ARG A 5 -3.203 2.735 -1.401 1.00 0.00 C ATOM 54 CG ARG A 5 -4.592 2.370 -0.875 1.00 0.00 C ATOM 55 CD ARG A 5 -5.186 1.250 -1.732 1.00 0.00 C ATOM 56 NE ARG A 5 -6.599 1.655 -1.968 1.00 0.00 N ATOM 57 CZ ARG A 5 -7.549 1.181 -1.208 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.633 -0.104 -0.991 1.00 0.00 N ATOM 59 NH2 ARG A 5 -8.417 1.991 -0.666 1.00 0.00 N ATOM 60 H ARG A 5 -0.937 3.690 -1.579 1.00 0.00 H ATOM 61 HA ARG A 5 -2.497 2.724 0.634 1.00 0.00 H ATOM 62 HB2 ARG A 5 -3.168 3.790 -1.630 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.997 2.165 -2.296 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.512 2.036 0.150 1.00 0.00 H ATOM 65 HG3 ARG A 5 -5.234 3.236 -0.923 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.652 1.173 -2.670 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.153 0.311 -1.201 1.00 0.00 H ATOM 68 HE ARG A 5 -6.816 2.277 -2.692 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.967 -0.725 -1.406 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.360 -0.467 -0.409 1.00 0.00 H ATOM 71 HH21 ARG A 5 -8.354 2.975 -0.834 1.00 0.00 H ATOM 72 HH22 ARG A 5 -9.145 1.628 -0.085 1.00 0.00 H ATOM 73 N GLN A 6 -1.147 0.453 -1.353 1.00 0.00 N ATOM 74 CA GLN A 6 -0.787 -0.992 -1.416 1.00 0.00 C ATOM 75 C GLN A 6 0.174 -1.339 -0.276 1.00 0.00 C ATOM 76 O GLN A 6 -0.059 -2.256 0.487 1.00 0.00 O ATOM 77 CB GLN A 6 -0.102 -1.173 -2.770 1.00 0.00 C ATOM 78 CG GLN A 6 0.357 -2.623 -2.923 1.00 0.00 C ATOM 79 CD GLN A 6 0.951 -2.828 -4.317 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.665 -2.076 -5.228 1.00 0.00 O ATOM 81 NE2 GLN A 6 1.773 -3.820 -4.524 1.00 0.00 N ATOM 82 H GLN A 6 -0.868 1.058 -2.074 1.00 0.00 H ATOM 83 HA GLN A 6 -1.673 -1.605 -1.364 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.798 -0.929 -3.561 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.755 -0.518 -2.831 1.00 0.00 H ATOM 86 HG2 GLN A 6 1.106 -2.845 -2.175 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.487 -3.284 -2.793 1.00 0.00 H ATOM 88 HE21 GLN A 6 2.003 -4.427 -3.789 1.00 0.00 H ATOM 89 HE22 GLN A 6 2.158 -3.960 -5.414 1.00 0.00 H ATOM 90 N LEU A 7 1.250 -0.610 -0.148 1.00 0.00 N ATOM 91 CA LEU A 7 2.215 -0.900 0.950 1.00 0.00 C ATOM 92 C LEU A 7 1.494 -0.858 2.299 1.00 0.00 C ATOM 93 O LEU A 7 1.610 -1.758 3.109 1.00 0.00 O ATOM 94 CB LEU A 7 3.261 0.213 0.863 1.00 0.00 C ATOM 95 CG LEU A 7 4.429 -0.109 1.795 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.092 -1.415 1.354 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.455 1.026 1.738 1.00 0.00 C ATOM 98 H LEU A 7 1.420 0.130 -0.769 1.00 0.00 H ATOM 99 HA LEU A 7 2.681 -1.860 0.800 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.620 0.290 -0.153 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.815 1.150 1.159 1.00 0.00 H ATOM 102 HG LEU A 7 4.064 -0.215 2.806 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.940 -1.556 0.294 1.00 0.00 H ATOM 104 HD12 LEU A 7 4.653 -2.243 1.893 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.151 -1.371 1.563 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.545 1.377 0.721 1.00 0.00 H ATOM 107 HD22 LEU A 7 6.412 0.664 2.080 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.128 1.837 2.372 1.00 0.00 H ATOM 109 N GLU A 8 0.736 0.177 2.538 1.00 0.00 N ATOM 110 CA GLU A 8 -0.004 0.272 3.825 1.00 0.00 C ATOM 111 C GLU A 8 -1.011 -0.871 3.904 1.00 0.00 C ATOM 112 O GLU A 8 -1.404 -1.300 4.971 1.00 0.00 O ATOM 113 CB GLU A 8 -0.720 1.621 3.774 1.00 0.00 C ATOM 114 CG GLU A 8 -1.170 2.016 5.181 1.00 0.00 C ATOM 115 CD GLU A 8 -2.398 2.925 5.089 1.00 0.00 C ATOM 116 OE1 GLU A 8 -2.557 3.568 4.063 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.156 2.963 6.043 1.00 0.00 O ATOM 118 H GLU A 8 0.645 0.884 1.867 1.00 0.00 H ATOM 119 HA GLU A 8 0.677 0.240 4.660 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.046 2.372 3.386 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.584 1.547 3.130 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.420 1.127 5.742 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.371 2.544 5.681 1.00 0.00 H ATOM 124 N GLU A 9 -1.422 -1.372 2.773 1.00 0.00 N ATOM 125 CA GLU A 9 -2.395 -2.499 2.769 1.00 0.00 C ATOM 126 C GLU A 9 -1.653 -3.820 2.962 1.00 0.00 C ATOM 127 O GLU A 9 -2.229 -4.817 3.352 1.00 0.00 O ATOM 128 CB GLU A 9 -3.061 -2.448 1.393 1.00 0.00 C ATOM 129 CG GLU A 9 -4.424 -1.762 1.507 1.00 0.00 C ATOM 130 CD GLU A 9 -5.400 -2.399 0.516 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.937 -3.047 -0.408 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.594 -2.227 0.698 1.00 0.00 O ATOM 133 H GLU A 9 -1.081 -1.011 1.926 1.00 0.00 H ATOM 134 HA GLU A 9 -3.131 -2.363 3.543 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.433 -1.892 0.710 1.00 0.00 H ATOM 136 HB3 GLU A 9 -3.196 -3.452 1.021 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.802 -1.879 2.512 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.319 -0.712 1.281 1.00 0.00 H ATOM 139 N PHE A 10 -0.376 -3.830 2.700 1.00 0.00 N ATOM 140 CA PHE A 10 0.411 -5.082 2.877 1.00 0.00 C ATOM 141 C PHE A 10 1.049 -5.090 4.268 1.00 0.00 C ATOM 142 O PHE A 10 1.492 -6.112 4.754 1.00 0.00 O ATOM 143 CB PHE A 10 1.486 -5.034 1.791 1.00 0.00 C ATOM 144 CG PHE A 10 2.238 -6.345 1.767 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.646 -7.480 1.201 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.526 -6.423 2.310 1.00 0.00 C ATOM 147 CE1 PHE A 10 2.343 -8.694 1.177 1.00 0.00 C ATOM 148 CE2 PHE A 10 4.222 -7.638 2.287 1.00 0.00 C ATOM 149 CZ PHE A 10 3.631 -8.773 1.720 1.00 0.00 C ATOM 150 H PHE A 10 0.068 -3.012 2.394 1.00 0.00 H ATOM 151 HA PHE A 10 -0.218 -5.948 2.742 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.020 -4.868 0.831 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.175 -4.230 2.002 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.652 -7.420 0.781 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.982 -5.548 2.747 1.00 0.00 H ATOM 156 HE1 PHE A 10 1.886 -9.571 0.741 1.00 0.00 H ATOM 157 HE2 PHE A 10 5.215 -7.699 2.705 1.00 0.00 H ATOM 158 HZ PHE A 10 4.167 -9.710 1.702 1.00 0.00 H ATOM 159 N LEU A 11 1.093 -3.955 4.911 1.00 0.00 N ATOM 160 CA LEU A 11 1.698 -3.892 6.273 1.00 0.00 C ATOM 161 C LEU A 11 0.784 -3.112 7.222 1.00 0.00 C ATOM 162 O LEU A 11 -0.171 -2.492 6.799 1.00 0.00 O ATOM 163 CB LEU A 11 3.026 -3.158 6.085 1.00 0.00 C ATOM 164 CG LEU A 11 2.757 -1.679 5.807 1.00 0.00 C ATOM 165 CD1 LEU A 11 2.679 -0.916 7.130 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.894 -1.108 4.958 1.00 0.00 C ATOM 167 H LEU A 11 0.725 -3.143 4.498 1.00 0.00 H ATOM 168 HA LEU A 11 1.877 -4.886 6.652 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.620 -3.256 6.982 1.00 0.00 H ATOM 170 HB3 LEU A 11 3.560 -3.588 5.250 1.00 0.00 H ATOM 171 HG LEU A 11 1.822 -1.577 5.276 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.354 -1.363 7.845 1.00 0.00 H ATOM 173 HD12 LEU A 11 1.669 -0.959 7.512 1.00 0.00 H ATOM 174 HD13 LEU A 11 2.958 0.115 6.968 1.00 0.00 H ATOM 175 HD21 LEU A 11 4.011 -1.704 4.066 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.812 -1.126 5.526 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.660 -0.090 4.683 1.00 0.00 H HETATM 178 N NH2 A 12 1.040 -3.118 8.502 1.00 0.00 N HETATM 179 HN1 NH2 A 12 1.809 -3.619 8.845 1.00 0.00 H HETATM 180 HN2 NH2 A 12 0.462 -2.623 9.119 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 12 HETATM 1 C ACE A 1 -0.491 5.664 -4.048 1.00 0.00 C HETATM 2 O ACE A 1 -0.938 5.151 -3.039 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.107 7.074 -4.026 1.00 0.00 C HETATM 4 H1 ACE A 1 1.136 7.034 -4.353 1.00 0.00 H HETATM 5 H2 ACE A 1 0.064 7.467 -3.021 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.456 7.715 -4.689 1.00 0.00 H ATOM 7 N LEU A 2 -0.494 5.030 -5.189 1.00 0.00 N ATOM 8 CA LEU A 2 -1.054 3.653 -5.271 1.00 0.00 C ATOM 9 C LEU A 2 -0.137 2.689 -4.522 1.00 0.00 C ATOM 10 O LEU A 2 -0.585 1.819 -3.803 1.00 0.00 O ATOM 11 CB LEU A 2 -1.086 3.325 -6.765 1.00 0.00 C ATOM 12 CG LEU A 2 -2.277 4.031 -7.417 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.282 3.744 -8.921 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.576 3.514 -6.796 1.00 0.00 C ATOM 15 H LEU A 2 -0.119 5.453 -5.989 1.00 0.00 H ATOM 16 HA LEU A 2 -2.051 3.626 -4.860 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.170 3.662 -7.227 1.00 0.00 H ATOM 18 HB3 LEU A 2 -1.185 2.258 -6.898 1.00 0.00 H ATOM 19 HG LEU A 2 -2.196 5.096 -7.255 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.554 4.642 -9.458 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.997 2.965 -9.137 1.00 0.00 H ATOM 22 HD13 LEU A 2 -1.297 3.426 -9.231 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.974 4.260 -6.123 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.376 2.604 -6.250 1.00 0.00 H ATOM 25 HD23 LEU A 2 -4.294 3.314 -7.578 1.00 0.00 H ATOM 26 N VAL A 3 1.148 2.855 -4.675 1.00 0.00 N ATOM 27 CA VAL A 3 2.098 1.962 -3.954 1.00 0.00 C ATOM 28 C VAL A 3 2.067 2.311 -2.462 1.00 0.00 C ATOM 29 O VAL A 3 2.448 1.524 -1.617 1.00 0.00 O ATOM 30 CB VAL A 3 3.474 2.244 -4.587 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.577 2.216 -3.523 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.773 1.171 -5.638 1.00 0.00 C ATOM 33 H VAL A 3 1.485 3.577 -5.248 1.00 0.00 H ATOM 34 HA VAL A 3 1.827 0.929 -4.104 1.00 0.00 H ATOM 35 HB VAL A 3 3.458 3.215 -5.061 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.540 2.144 -4.005 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.433 1.362 -2.878 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.535 3.122 -2.936 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.465 1.522 -6.611 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.233 0.268 -5.393 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.833 0.964 -5.649 1.00 0.00 H ATOM 42 N GLY A 4 1.594 3.485 -2.137 1.00 0.00 N ATOM 43 CA GLY A 4 1.515 3.884 -0.709 1.00 0.00 C ATOM 44 C GLY A 4 0.327 3.167 -0.075 1.00 0.00 C ATOM 45 O GLY A 4 0.451 2.528 0.953 1.00 0.00 O ATOM 46 H GLY A 4 1.277 4.096 -2.833 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.427 3.600 -0.202 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.372 4.951 -0.635 1.00 0.00 H ATOM 49 N ARG A 5 -0.824 3.244 -0.691 1.00 0.00 N ATOM 50 CA ARG A 5 -2.003 2.536 -0.119 1.00 0.00 C ATOM 51 C ARG A 5 -1.749 1.029 -0.181 1.00 0.00 C ATOM 52 O ARG A 5 -2.204 0.270 0.655 1.00 0.00 O ATOM 53 CB ARG A 5 -3.199 2.943 -0.989 1.00 0.00 C ATOM 54 CG ARG A 5 -2.975 2.513 -2.441 1.00 0.00 C ATOM 55 CD ARG A 5 -4.317 2.122 -3.065 1.00 0.00 C ATOM 56 NE ARG A 5 -4.684 3.266 -3.943 1.00 0.00 N ATOM 57 CZ ARG A 5 -5.886 3.341 -4.446 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.260 2.497 -5.370 1.00 0.00 N ATOM 59 NH2 ARG A 5 -6.713 4.257 -4.025 1.00 0.00 N ATOM 60 H ARG A 5 -0.902 3.749 -1.534 1.00 0.00 H ATOM 61 HA ARG A 5 -2.166 2.847 0.902 1.00 0.00 H ATOM 62 HB2 ARG A 5 -4.093 2.470 -0.610 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.319 4.015 -0.951 1.00 0.00 H ATOM 64 HG2 ARG A 5 -2.544 3.332 -2.996 1.00 0.00 H ATOM 65 HG3 ARG A 5 -2.311 1.668 -2.472 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.211 1.216 -3.646 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.065 1.991 -2.298 1.00 0.00 H ATOM 68 HE ARG A 5 -4.025 3.962 -4.142 1.00 0.00 H ATOM 69 HH11 ARG A 5 -5.626 1.794 -5.691 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.182 2.554 -5.755 1.00 0.00 H ATOM 71 HH21 ARG A 5 -6.426 4.901 -3.315 1.00 0.00 H ATOM 72 HH22 ARG A 5 -7.635 4.316 -4.410 1.00 0.00 H ATOM 73 N GLN A 6 -0.992 0.597 -1.156 1.00 0.00 N ATOM 74 CA GLN A 6 -0.670 -0.850 -1.270 1.00 0.00 C ATOM 75 C GLN A 6 0.235 -1.245 -0.107 1.00 0.00 C ATOM 76 O GLN A 6 0.037 -2.257 0.534 1.00 0.00 O ATOM 77 CB GLN A 6 0.065 -0.988 -2.605 1.00 0.00 C ATOM 78 CG GLN A 6 0.594 -2.416 -2.762 1.00 0.00 C ATOM 79 CD GLN A 6 2.064 -2.464 -2.340 1.00 0.00 C ATOM 80 OE1 GLN A 6 2.461 -3.320 -1.574 1.00 0.00 O ATOM 81 NE2 GLN A 6 2.895 -1.574 -2.809 1.00 0.00 N ATOM 82 H GLN A 6 -0.619 1.231 -1.802 1.00 0.00 H ATOM 83 HA GLN A 6 -1.571 -1.444 -1.272 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.618 -0.765 -3.413 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.892 -0.295 -2.632 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.017 -3.085 -2.140 1.00 0.00 H ATOM 87 HG3 GLN A 6 0.509 -2.719 -3.794 1.00 0.00 H ATOM 88 HE21 GLN A 6 2.575 -0.883 -3.428 1.00 0.00 H ATOM 89 HE22 GLN A 6 3.837 -1.595 -2.544 1.00 0.00 H ATOM 90 N LEU A 7 1.220 -0.435 0.185 1.00 0.00 N ATOM 91 CA LEU A 7 2.122 -0.752 1.324 1.00 0.00 C ATOM 92 C LEU A 7 1.293 -0.843 2.605 1.00 0.00 C ATOM 93 O LEU A 7 1.474 -1.734 3.410 1.00 0.00 O ATOM 94 CB LEU A 7 3.111 0.410 1.391 1.00 0.00 C ATOM 95 CG LEU A 7 4.393 -0.046 2.090 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.577 0.117 1.137 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.624 0.808 3.337 1.00 0.00 C ATOM 98 H LEU A 7 1.354 0.387 -0.334 1.00 0.00 H ATOM 99 HA LEU A 7 2.642 -1.679 1.146 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.346 0.740 0.389 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.672 1.226 1.944 1.00 0.00 H ATOM 102 HG LEU A 7 4.299 -1.084 2.373 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.561 -0.675 0.402 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.499 0.071 1.698 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.508 1.073 0.638 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.500 1.851 3.087 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.625 0.642 3.707 1.00 0.00 H ATOM 108 HD23 LEU A 7 3.909 0.534 4.100 1.00 0.00 H ATOM 109 N GLU A 8 0.367 0.058 2.788 1.00 0.00 N ATOM 110 CA GLU A 8 -0.488 -0.007 4.004 1.00 0.00 C ATOM 111 C GLU A 8 -1.351 -1.263 3.922 1.00 0.00 C ATOM 112 O GLU A 8 -1.720 -1.848 4.919 1.00 0.00 O ATOM 113 CB GLU A 8 -1.358 1.252 3.955 1.00 0.00 C ATOM 114 CG GLU A 8 -1.349 1.936 5.324 1.00 0.00 C ATOM 115 CD GLU A 8 -2.375 3.070 5.332 1.00 0.00 C ATOM 116 OE1 GLU A 8 -3.290 3.021 4.525 1.00 0.00 O ATOM 117 OE2 GLU A 8 -2.229 3.970 6.144 1.00 0.00 O ATOM 118 H GLU A 8 0.221 0.760 2.119 1.00 0.00 H ATOM 119 HA GLU A 8 0.116 -0.018 4.899 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.967 1.930 3.211 1.00 0.00 H ATOM 121 HB3 GLU A 8 -2.371 0.979 3.699 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.601 1.215 6.089 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.367 2.340 5.519 1.00 0.00 H ATOM 124 N GLU A 9 -1.649 -1.694 2.725 1.00 0.00 N ATOM 125 CA GLU A 9 -2.460 -2.931 2.562 1.00 0.00 C ATOM 126 C GLU A 9 -1.551 -4.138 2.779 1.00 0.00 C ATOM 127 O GLU A 9 -1.989 -5.215 3.131 1.00 0.00 O ATOM 128 CB GLU A 9 -2.980 -2.889 1.125 1.00 0.00 C ATOM 129 CG GLU A 9 -4.168 -3.842 0.982 1.00 0.00 C ATOM 130 CD GLU A 9 -3.683 -5.184 0.429 1.00 0.00 C ATOM 131 OE1 GLU A 9 -2.508 -5.284 0.117 1.00 0.00 O ATOM 132 OE2 GLU A 9 -4.494 -6.090 0.328 1.00 0.00 O ATOM 133 H GLU A 9 -1.318 -1.215 1.933 1.00 0.00 H ATOM 134 HA GLU A 9 -3.281 -2.942 3.260 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.293 -1.883 0.885 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.195 -3.194 0.448 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.626 -3.994 1.949 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.892 -3.417 0.303 1.00 0.00 H ATOM 139 N PHE A 10 -0.276 -3.944 2.587 1.00 0.00 N ATOM 140 CA PHE A 10 0.698 -5.048 2.797 1.00 0.00 C ATOM 141 C PHE A 10 1.364 -4.873 4.166 1.00 0.00 C ATOM 142 O PHE A 10 2.071 -5.739 4.642 1.00 0.00 O ATOM 143 CB PHE A 10 1.720 -4.886 1.670 1.00 0.00 C ATOM 144 CG PHE A 10 2.524 -6.154 1.521 1.00 0.00 C ATOM 145 CD1 PHE A 10 3.697 -6.330 2.264 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.099 -7.153 0.635 1.00 0.00 C ATOM 147 CE1 PHE A 10 4.446 -7.505 2.122 1.00 0.00 C ATOM 148 CE2 PHE A 10 2.848 -8.328 0.494 1.00 0.00 C ATOM 149 CZ PHE A 10 4.021 -8.504 1.237 1.00 0.00 C ATOM 150 H PHE A 10 0.045 -3.058 2.317 1.00 0.00 H ATOM 151 HA PHE A 10 0.210 -6.008 2.727 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.204 -4.677 0.745 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.385 -4.066 1.904 1.00 0.00 H ATOM 154 HD1 PHE A 10 4.024 -5.560 2.947 1.00 0.00 H ATOM 155 HD2 PHE A 10 1.194 -7.016 0.062 1.00 0.00 H ATOM 156 HE1 PHE A 10 5.351 -7.640 2.695 1.00 0.00 H ATOM 157 HE2 PHE A 10 2.520 -9.099 -0.189 1.00 0.00 H ATOM 158 HZ PHE A 10 4.599 -9.409 1.128 1.00 0.00 H ATOM 159 N LEU A 11 1.138 -3.751 4.799 1.00 0.00 N ATOM 160 CA LEU A 11 1.749 -3.500 6.136 1.00 0.00 C ATOM 161 C LEU A 11 3.200 -3.991 6.158 1.00 0.00 C ATOM 162 O LEU A 11 3.463 -5.147 6.423 1.00 0.00 O ATOM 163 CB LEU A 11 0.890 -4.293 7.119 1.00 0.00 C ATOM 164 CG LEU A 11 1.428 -4.102 8.539 1.00 0.00 C ATOM 165 CD1 LEU A 11 1.430 -2.613 8.886 1.00 0.00 C ATOM 166 CD2 LEU A 11 0.535 -4.851 9.527 1.00 0.00 C ATOM 167 H LEU A 11 0.563 -3.069 4.392 1.00 0.00 H ATOM 168 HA LEU A 11 1.705 -2.450 6.376 1.00 0.00 H ATOM 169 HB2 LEU A 11 -0.130 -3.939 7.069 1.00 0.00 H ATOM 170 HB3 LEU A 11 0.922 -5.340 6.862 1.00 0.00 H ATOM 171 HG LEU A 11 2.437 -4.486 8.596 1.00 0.00 H ATOM 172 HD11 LEU A 11 0.495 -2.169 8.576 1.00 0.00 H ATOM 173 HD12 LEU A 11 2.247 -2.124 8.376 1.00 0.00 H ATOM 174 HD13 LEU A 11 1.549 -2.493 9.954 1.00 0.00 H ATOM 175 HD21 LEU A 11 0.404 -4.255 10.419 1.00 0.00 H ATOM 176 HD22 LEU A 11 0.999 -5.793 9.789 1.00 0.00 H ATOM 177 HD23 LEU A 11 -0.427 -5.038 9.074 1.00 0.00 H HETATM 178 N NH2 A 12 4.160 -3.149 5.889 1.00 0.00 N HETATM 179 HN1 NH2 A 12 3.947 -2.216 5.674 1.00 0.00 H HETATM 180 HN2 NH2 A 12 5.094 -3.449 5.902 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 13 HETATM 1 C ACE A 1 -0.555 5.473 -4.140 1.00 0.00 C HETATM 2 O ACE A 1 -0.962 4.946 -3.121 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.167 6.952 -4.168 1.00 0.00 C HETATM 4 H1 ACE A 1 0.049 7.288 -3.164 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.984 7.531 -4.574 1.00 0.00 H HETATM 6 H3 ACE A 1 0.708 7.083 -4.787 1.00 0.00 H ATOM 7 N LEU A 2 -0.430 4.795 -5.249 1.00 0.00 N ATOM 8 CA LEU A 2 -0.790 3.349 -5.276 1.00 0.00 C ATOM 9 C LEU A 2 0.216 2.553 -4.449 1.00 0.00 C ATOM 10 O LEU A 2 -0.101 1.522 -3.889 1.00 0.00 O ATOM 11 CB LEU A 2 -0.729 2.941 -6.751 1.00 0.00 C ATOM 12 CG LEU A 2 0.583 3.428 -7.369 1.00 0.00 C ATOM 13 CD1 LEU A 2 1.331 2.241 -7.980 1.00 0.00 C ATOM 14 CD2 LEU A 2 0.281 4.454 -8.462 1.00 0.00 C ATOM 15 H LEU A 2 -0.096 5.234 -6.057 1.00 0.00 H ATOM 16 HA LEU A 2 -1.787 3.205 -4.893 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.786 1.865 -6.827 1.00 0.00 H ATOM 18 HB3 LEU A 2 -1.558 3.384 -7.280 1.00 0.00 H ATOM 19 HG LEU A 2 1.195 3.882 -6.604 1.00 0.00 H ATOM 20 HD11 LEU A 2 0.789 1.330 -7.774 1.00 0.00 H ATOM 21 HD12 LEU A 2 2.319 2.177 -7.548 1.00 0.00 H ATOM 22 HD13 LEU A 2 1.413 2.379 -9.048 1.00 0.00 H ATOM 23 HD21 LEU A 2 1.032 4.392 -9.233 1.00 0.00 H ATOM 24 HD22 LEU A 2 0.285 5.446 -8.034 1.00 0.00 H ATOM 25 HD23 LEU A 2 -0.691 4.252 -8.888 1.00 0.00 H ATOM 26 N VAL A 3 1.422 3.035 -4.353 1.00 0.00 N ATOM 27 CA VAL A 3 2.444 2.316 -3.544 1.00 0.00 C ATOM 28 C VAL A 3 2.177 2.572 -2.061 1.00 0.00 C ATOM 29 O VAL A 3 2.524 1.779 -1.207 1.00 0.00 O ATOM 30 CB VAL A 3 3.785 2.917 -3.965 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.922 2.166 -3.272 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.943 2.793 -5.483 1.00 0.00 C ATOM 33 H VAL A 3 1.652 3.876 -4.802 1.00 0.00 H ATOM 34 HA VAL A 3 2.424 1.259 -3.759 1.00 0.00 H ATOM 35 HB VAL A 3 3.816 3.959 -3.682 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.779 1.103 -3.396 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.925 2.408 -2.220 1.00 0.00 H ATOM 38 HG13 VAL A 3 5.865 2.456 -3.710 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.972 2.979 -5.753 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.306 3.514 -5.971 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.664 1.796 -5.793 1.00 0.00 H ATOM 42 N GLY A 4 1.547 3.674 -1.755 1.00 0.00 N ATOM 43 CA GLY A 4 1.240 3.991 -0.333 1.00 0.00 C ATOM 44 C GLY A 4 0.026 3.177 0.105 1.00 0.00 C ATOM 45 O GLY A 4 0.024 2.559 1.151 1.00 0.00 O ATOM 46 H GLY A 4 1.266 4.290 -2.465 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.091 3.738 0.285 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.020 5.043 -0.235 1.00 0.00 H ATOM 49 N ARG A 5 -1.005 3.161 -0.694 1.00 0.00 N ATOM 50 CA ARG A 5 -2.213 2.372 -0.327 1.00 0.00 C ATOM 51 C ARG A 5 -1.873 0.881 -0.337 1.00 0.00 C ATOM 52 O ARG A 5 -2.227 0.142 0.562 1.00 0.00 O ATOM 53 CB ARG A 5 -3.245 2.696 -1.407 1.00 0.00 C ATOM 54 CG ARG A 5 -3.965 3.999 -1.052 1.00 0.00 C ATOM 55 CD ARG A 5 -5.064 4.274 -2.081 1.00 0.00 C ATOM 56 NE ARG A 5 -5.815 5.441 -1.540 1.00 0.00 N ATOM 57 CZ ARG A 5 -5.305 6.639 -1.621 1.00 0.00 C ATOM 58 NH1 ARG A 5 -5.475 7.349 -2.703 1.00 0.00 N ATOM 59 NH2 ARG A 5 -4.627 7.128 -0.619 1.00 0.00 N ATOM 60 H ARG A 5 -0.981 3.661 -1.539 1.00 0.00 H ATOM 61 HA ARG A 5 -2.583 2.671 0.642 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.746 2.809 -2.360 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.966 1.895 -1.470 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.405 3.911 -0.070 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.257 4.815 -1.058 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.627 4.516 -3.041 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.718 3.421 -2.169 1.00 0.00 H ATOM 68 HE ARG A 5 -6.692 5.308 -1.124 1.00 0.00 H ATOM 69 HH11 ARG A 5 -5.996 6.975 -3.469 1.00 0.00 H ATOM 70 HH12 ARG A 5 -5.084 8.268 -2.764 1.00 0.00 H ATOM 71 HH21 ARG A 5 -4.497 6.584 0.210 1.00 0.00 H ATOM 72 HH22 ARG A 5 -4.236 8.046 -0.680 1.00 0.00 H ATOM 73 N GLN A 6 -1.177 0.434 -1.348 1.00 0.00 N ATOM 74 CA GLN A 6 -0.802 -1.006 -1.418 1.00 0.00 C ATOM 75 C GLN A 6 0.160 -1.353 -0.280 1.00 0.00 C ATOM 76 O GLN A 6 -0.048 -2.300 0.452 1.00 0.00 O ATOM 77 CB GLN A 6 -0.113 -1.170 -2.774 1.00 0.00 C ATOM 78 CG GLN A 6 -1.172 -1.332 -3.867 1.00 0.00 C ATOM 79 CD GLN A 6 -0.670 -2.318 -4.924 1.00 0.00 C ATOM 80 OE1 GLN A 6 -1.445 -3.050 -5.506 1.00 0.00 O ATOM 81 NE2 GLN A 6 0.605 -2.368 -5.198 1.00 0.00 N ATOM 82 H GLN A 6 -0.897 1.049 -2.059 1.00 0.00 H ATOM 83 HA GLN A 6 -1.682 -1.628 -1.374 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.487 -0.296 -2.980 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.517 -2.046 -2.755 1.00 0.00 H ATOM 86 HG2 GLN A 6 -2.086 -1.706 -3.429 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.360 -0.376 -4.331 1.00 0.00 H ATOM 88 HE21 GLN A 6 1.231 -1.778 -4.731 1.00 0.00 H ATOM 89 HE22 GLN A 6 0.936 -2.997 -5.874 1.00 0.00 H ATOM 90 N LEU A 7 1.210 -0.592 -0.120 1.00 0.00 N ATOM 91 CA LEU A 7 2.176 -0.882 0.977 1.00 0.00 C ATOM 92 C LEU A 7 1.465 -0.811 2.331 1.00 0.00 C ATOM 93 O LEU A 7 1.619 -1.676 3.172 1.00 0.00 O ATOM 94 CB LEU A 7 3.241 0.210 0.870 1.00 0.00 C ATOM 95 CG LEU A 7 4.372 -0.081 1.856 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.699 -0.169 1.102 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.447 1.046 2.890 1.00 0.00 C ATOM 98 H LEU A 7 1.361 0.172 -0.718 1.00 0.00 H ATOM 99 HA LEU A 7 2.624 -1.853 0.838 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.635 0.229 -0.137 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.800 1.167 1.102 1.00 0.00 H ATOM 102 HG LEU A 7 4.181 -1.019 2.358 1.00 0.00 H ATOM 103 HD11 LEU A 7 6.514 -0.207 1.809 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.812 0.699 0.470 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.709 -1.061 0.495 1.00 0.00 H ATOM 106 HD21 LEU A 7 3.712 0.876 3.662 1.00 0.00 H ATOM 107 HD22 LEU A 7 4.249 1.992 2.406 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.434 1.067 3.328 1.00 0.00 H ATOM 109 N GLU A 8 0.679 0.209 2.542 1.00 0.00 N ATOM 110 CA GLU A 8 -0.049 0.329 3.834 1.00 0.00 C ATOM 111 C GLU A 8 -1.067 -0.803 3.946 1.00 0.00 C ATOM 112 O GLU A 8 -1.466 -1.195 5.026 1.00 0.00 O ATOM 113 CB GLU A 8 -0.753 1.686 3.773 1.00 0.00 C ATOM 114 CG GLU A 8 0.262 2.800 4.039 1.00 0.00 C ATOM 115 CD GLU A 8 0.332 3.078 5.542 1.00 0.00 C ATOM 116 OE1 GLU A 8 -0.581 2.674 6.242 1.00 0.00 O ATOM 117 OE2 GLU A 8 1.298 3.690 5.966 1.00 0.00 O ATOM 118 H GLU A 8 0.560 0.888 1.848 1.00 0.00 H ATOM 119 HA GLU A 8 0.641 0.303 4.663 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.188 1.820 2.793 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.529 1.722 4.522 1.00 0.00 H ATOM 122 HG2 GLU A 8 1.235 2.493 3.683 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.044 3.697 3.523 1.00 0.00 H ATOM 124 N GLU A 9 -1.482 -1.337 2.832 1.00 0.00 N ATOM 125 CA GLU A 9 -2.468 -2.454 2.863 1.00 0.00 C ATOM 126 C GLU A 9 -1.730 -3.787 2.979 1.00 0.00 C ATOM 127 O GLU A 9 -2.302 -4.800 3.329 1.00 0.00 O ATOM 128 CB GLU A 9 -3.215 -2.364 1.532 1.00 0.00 C ATOM 129 CG GLU A 9 -4.433 -3.288 1.568 1.00 0.00 C ATOM 130 CD GLU A 9 -4.207 -4.469 0.622 1.00 0.00 C ATOM 131 OE1 GLU A 9 -3.075 -4.664 0.209 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.169 -5.158 0.326 1.00 0.00 O ATOM 133 H GLU A 9 -1.139 -1.006 1.973 1.00 0.00 H ATOM 134 HA GLU A 9 -3.154 -2.329 3.684 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.539 -1.346 1.369 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.560 -2.667 0.729 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.577 -3.655 2.574 1.00 0.00 H ATOM 138 HG3 GLU A 9 -5.309 -2.742 1.254 1.00 0.00 H ATOM 139 N PHE A 10 -0.457 -3.790 2.694 1.00 0.00 N ATOM 140 CA PHE A 10 0.329 -5.051 2.793 1.00 0.00 C ATOM 141 C PHE A 10 1.109 -5.069 4.109 1.00 0.00 C ATOM 142 O PHE A 10 1.648 -6.080 4.512 1.00 0.00 O ATOM 143 CB PHE A 10 1.285 -5.019 1.601 1.00 0.00 C ATOM 144 CG PHE A 10 1.215 -6.333 0.862 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.552 -7.524 1.516 1.00 0.00 C ATOM 146 CD2 PHE A 10 0.816 -6.361 -0.480 1.00 0.00 C ATOM 147 CE1 PHE A 10 1.488 -8.743 0.830 1.00 0.00 C ATOM 148 CE2 PHE A 10 0.751 -7.579 -1.167 1.00 0.00 C ATOM 149 CZ PHE A 10 1.088 -8.770 -0.511 1.00 0.00 C ATOM 150 H PHE A 10 -0.015 -2.959 2.420 1.00 0.00 H ATOM 151 HA PHE A 10 -0.320 -5.909 2.725 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.004 -4.215 0.936 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.294 -4.858 1.953 1.00 0.00 H ATOM 154 HD1 PHE A 10 1.860 -7.503 2.551 1.00 0.00 H ATOM 155 HD2 PHE A 10 0.556 -5.442 -0.985 1.00 0.00 H ATOM 156 HE1 PHE A 10 1.747 -9.662 1.335 1.00 0.00 H ATOM 157 HE2 PHE A 10 0.443 -7.600 -2.200 1.00 0.00 H ATOM 158 HZ PHE A 10 1.039 -9.710 -1.041 1.00 0.00 H ATOM 159 N LEU A 11 1.171 -3.950 4.781 1.00 0.00 N ATOM 160 CA LEU A 11 1.913 -3.896 6.073 1.00 0.00 C ATOM 161 C LEU A 11 0.984 -3.430 7.197 1.00 0.00 C ATOM 162 O LEU A 11 1.206 -2.399 7.802 1.00 0.00 O ATOM 163 CB LEU A 11 3.031 -2.878 5.844 1.00 0.00 C ATOM 164 CG LEU A 11 4.285 -3.316 6.602 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.974 -3.404 8.097 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.733 -4.688 6.094 1.00 0.00 C ATOM 167 H LEU A 11 0.727 -3.146 4.435 1.00 0.00 H ATOM 168 HA LEU A 11 2.335 -4.860 6.308 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.251 -2.817 4.787 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.716 -1.910 6.202 1.00 0.00 H ATOM 171 HG LEU A 11 5.073 -2.595 6.440 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.718 -2.424 8.469 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.841 -3.775 8.623 1.00 0.00 H ATOM 174 HD13 LEU A 11 3.144 -4.077 8.252 1.00 0.00 H ATOM 175 HD21 LEU A 11 4.218 -5.462 6.644 1.00 0.00 H ATOM 176 HD22 LEU A 11 5.798 -4.794 6.235 1.00 0.00 H ATOM 177 HD23 LEU A 11 4.499 -4.777 5.043 1.00 0.00 H HETATM 178 N NH2 A 12 -0.059 -4.152 7.504 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.239 -4.983 7.017 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.661 -3.862 8.221 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 14 HETATM 1 C ACE A 1 -0.649 5.616 -4.017 1.00 0.00 C HETATM 2 O ACE A 1 -1.026 5.049 -3.007 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.184 7.073 -3.981 1.00 0.00 C HETATM 4 H1 ACE A 1 0.264 7.284 -3.021 1.00 0.00 H HETATM 5 H2 ACE A 1 -1.031 7.725 -4.135 1.00 0.00 H HETATM 6 H3 ACE A 1 0.544 7.239 -4.762 1.00 0.00 H ATOM 7 N LEU A 2 -0.626 5.000 -5.170 1.00 0.00 N ATOM 8 CA LEU A 2 -1.069 3.581 -5.252 1.00 0.00 C ATOM 9 C LEU A 2 -0.047 2.682 -4.559 1.00 0.00 C ATOM 10 O LEU A 2 -0.378 1.634 -4.040 1.00 0.00 O ATOM 11 CB LEU A 2 -1.167 3.258 -6.747 1.00 0.00 C ATOM 12 CG LEU A 2 0.150 3.596 -7.445 1.00 0.00 C ATOM 13 CD1 LEU A 2 0.528 2.454 -8.393 1.00 0.00 C ATOM 14 CD2 LEU A 2 -0.020 4.889 -8.248 1.00 0.00 C ATOM 15 H LEU A 2 -0.315 5.468 -5.972 1.00 0.00 H ATOM 16 HA LEU A 2 -2.034 3.469 -4.787 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.381 2.208 -6.873 1.00 0.00 H ATOM 18 HB3 LEU A 2 -1.962 3.841 -7.187 1.00 0.00 H ATOM 19 HG LEU A 2 0.928 3.726 -6.708 1.00 0.00 H ATOM 20 HD11 LEU A 2 1.600 2.325 -8.393 1.00 0.00 H ATOM 21 HD12 LEU A 2 0.195 2.691 -9.393 1.00 0.00 H ATOM 22 HD13 LEU A 2 0.055 1.542 -8.063 1.00 0.00 H ATOM 23 HD21 LEU A 2 0.915 5.430 -8.262 1.00 0.00 H ATOM 24 HD22 LEU A 2 -0.784 5.500 -7.789 1.00 0.00 H ATOM 25 HD23 LEU A 2 -0.311 4.649 -9.260 1.00 0.00 H ATOM 26 N VAL A 3 1.189 3.096 -4.520 1.00 0.00 N ATOM 27 CA VAL A 3 2.221 2.275 -3.830 1.00 0.00 C ATOM 28 C VAL A 3 2.109 2.516 -2.325 1.00 0.00 C ATOM 29 O VAL A 3 2.475 1.682 -1.517 1.00 0.00 O ATOM 30 CB VAL A 3 3.564 2.777 -4.358 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.541 2.785 -5.886 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.815 4.194 -3.842 1.00 0.00 C ATOM 33 H VAL A 3 1.433 3.957 -4.925 1.00 0.00 H ATOM 34 HA VAL A 3 2.092 1.229 -4.060 1.00 0.00 H ATOM 35 HB VAL A 3 4.350 2.122 -4.014 1.00 0.00 H ATOM 36 HG11 VAL A 3 3.435 3.800 -6.239 1.00 0.00 H ATOM 37 HG12 VAL A 3 2.709 2.193 -6.238 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.464 2.367 -6.263 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.949 4.170 -2.771 1.00 0.00 H ATOM 40 HG22 VAL A 3 2.970 4.821 -4.085 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.705 4.593 -4.306 1.00 0.00 H ATOM 42 N GLY A 4 1.583 3.652 -1.949 1.00 0.00 N ATOM 43 CA GLY A 4 1.418 3.961 -0.502 1.00 0.00 C ATOM 44 C GLY A 4 0.251 3.138 0.031 1.00 0.00 C ATOM 45 O GLY A 4 0.334 2.518 1.072 1.00 0.00 O ATOM 46 H GLY A 4 1.282 4.296 -2.624 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.322 3.703 0.032 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.206 5.011 -0.374 1.00 0.00 H ATOM 49 N ARG A 5 -0.838 3.112 -0.692 1.00 0.00 N ATOM 50 CA ARG A 5 -2.007 2.309 -0.242 1.00 0.00 C ATOM 51 C ARG A 5 -1.648 0.823 -0.301 1.00 0.00 C ATOM 52 O ARG A 5 -1.958 0.060 0.593 1.00 0.00 O ATOM 53 CB ARG A 5 -3.120 2.634 -1.238 1.00 0.00 C ATOM 54 CG ARG A 5 -4.255 3.363 -0.519 1.00 0.00 C ATOM 55 CD ARG A 5 -4.967 4.290 -1.508 1.00 0.00 C ATOM 56 NE ARG A 5 -6.346 3.742 -1.620 1.00 0.00 N ATOM 57 CZ ARG A 5 -7.371 4.501 -1.348 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.624 5.544 -2.089 1.00 0.00 N ATOM 59 NH2 ARG A 5 -8.142 4.219 -0.333 1.00 0.00 N ATOM 60 H ARG A 5 -0.878 3.611 -1.538 1.00 0.00 H ATOM 61 HA ARG A 5 -2.304 2.591 0.756 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.727 3.266 -2.022 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.498 1.720 -1.668 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.958 2.640 -0.130 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.851 3.948 0.293 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.990 5.301 -1.124 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.479 4.261 -2.468 1.00 0.00 H ATOM 68 HE ARG A 5 -6.484 2.813 -1.903 1.00 0.00 H ATOM 69 HH11 ARG A 5 -7.031 5.759 -2.865 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.409 6.125 -1.883 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.948 3.421 0.237 1.00 0.00 H ATOM 72 HH22 ARG A 5 -8.926 4.804 -0.124 1.00 0.00 H ATOM 73 N GLN A 6 -0.986 0.412 -1.351 1.00 0.00 N ATOM 74 CA GLN A 6 -0.592 -1.020 -1.472 1.00 0.00 C ATOM 75 C GLN A 6 0.312 -1.405 -0.299 1.00 0.00 C ATOM 76 O GLN A 6 0.018 -2.316 0.449 1.00 0.00 O ATOM 77 CB GLN A 6 0.170 -1.112 -2.796 1.00 0.00 C ATOM 78 CG GLN A 6 0.192 -2.566 -3.273 1.00 0.00 C ATOM 79 CD GLN A 6 -0.468 -2.666 -4.650 1.00 0.00 C ATOM 80 OE1 GLN A 6 -0.046 -2.021 -5.589 1.00 0.00 O ATOM 81 NE2 GLN A 6 -1.494 -3.455 -4.811 1.00 0.00 N ATOM 82 H GLN A 6 -0.742 1.048 -2.056 1.00 0.00 H ATOM 83 HA GLN A 6 -1.465 -1.652 -1.502 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.322 -0.497 -3.537 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.182 -0.765 -2.655 1.00 0.00 H ATOM 86 HG2 GLN A 6 1.216 -2.907 -3.339 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.349 -3.184 -2.571 1.00 0.00 H ATOM 88 HE21 GLN A 6 -1.833 -3.976 -4.053 1.00 0.00 H ATOM 89 HE22 GLN A 6 -1.924 -3.527 -5.688 1.00 0.00 H ATOM 90 N LEU A 7 1.403 -0.709 -0.122 1.00 0.00 N ATOM 91 CA LEU A 7 2.308 -1.032 1.017 1.00 0.00 C ATOM 92 C LEU A 7 1.534 -0.913 2.330 1.00 0.00 C ATOM 93 O LEU A 7 1.646 -1.744 3.212 1.00 0.00 O ATOM 94 CB LEU A 7 3.426 0.011 0.950 1.00 0.00 C ATOM 95 CG LEU A 7 4.648 -0.592 0.253 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.810 0.401 0.307 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.050 -1.887 0.962 1.00 0.00 C ATOM 98 H LEU A 7 1.620 0.031 -0.728 1.00 0.00 H ATOM 99 HA LEU A 7 2.717 -2.024 0.905 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.080 0.871 0.394 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.697 0.313 1.950 1.00 0.00 H ATOM 102 HG LEU A 7 4.404 -0.804 -0.778 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.533 1.310 -0.208 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.677 -0.031 -0.168 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.042 0.629 1.338 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.503 -1.976 1.889 1.00 0.00 H ATOM 107 HD22 LEU A 7 6.110 -1.870 1.171 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.823 -2.731 0.327 1.00 0.00 H ATOM 109 N GLU A 8 0.728 0.107 2.458 1.00 0.00 N ATOM 110 CA GLU A 8 -0.072 0.269 3.701 1.00 0.00 C ATOM 111 C GLU A 8 -1.069 -0.882 3.799 1.00 0.00 C ATOM 112 O GLU A 8 -1.481 -1.279 4.871 1.00 0.00 O ATOM 113 CB GLU A 8 -0.799 1.605 3.539 1.00 0.00 C ATOM 114 CG GLU A 8 -1.627 1.887 4.793 1.00 0.00 C ATOM 115 CD GLU A 8 -1.536 3.373 5.144 1.00 0.00 C ATOM 116 OE1 GLU A 8 -0.455 3.926 5.018 1.00 0.00 O ATOM 117 OE2 GLU A 8 -2.548 3.933 5.534 1.00 0.00 O ATOM 118 H GLU A 8 0.638 0.756 1.728 1.00 0.00 H ATOM 119 HA GLU A 8 0.571 0.294 4.566 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.075 2.395 3.398 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.453 1.559 2.681 1.00 0.00 H ATOM 122 HG2 GLU A 8 -2.658 1.622 4.609 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.245 1.300 5.616 1.00 0.00 H ATOM 124 N GLU A 9 -1.444 -1.430 2.676 1.00 0.00 N ATOM 125 CA GLU A 9 -2.398 -2.573 2.682 1.00 0.00 C ATOM 126 C GLU A 9 -1.630 -3.866 2.952 1.00 0.00 C ATOM 127 O GLU A 9 -2.186 -4.859 3.377 1.00 0.00 O ATOM 128 CB GLU A 9 -3.004 -2.592 1.276 1.00 0.00 C ATOM 129 CG GLU A 9 -4.378 -1.918 1.298 1.00 0.00 C ATOM 130 CD GLU A 9 -5.188 -2.375 0.083 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.674 -3.181 -0.676 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.306 -1.913 -0.067 1.00 0.00 O ATOM 133 H GLU A 9 -1.084 -1.097 1.827 1.00 0.00 H ATOM 134 HA GLU A 9 -3.168 -2.423 3.420 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.354 -2.061 0.597 1.00 0.00 H ATOM 136 HB3 GLU A 9 -3.113 -3.614 0.945 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.900 -2.194 2.204 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.254 -0.846 1.264 1.00 0.00 H ATOM 139 N PHE A 10 -0.346 -3.851 2.714 1.00 0.00 N ATOM 140 CA PHE A 10 0.480 -5.065 2.959 1.00 0.00 C ATOM 141 C PHE A 10 1.020 -5.028 4.389 1.00 0.00 C ATOM 142 O PHE A 10 1.452 -6.027 4.930 1.00 0.00 O ATOM 143 CB PHE A 10 1.629 -4.974 1.954 1.00 0.00 C ATOM 144 CG PHE A 10 1.181 -5.508 0.614 1.00 0.00 C ATOM 145 CD1 PHE A 10 -0.110 -5.236 0.142 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.061 -6.271 -0.162 1.00 0.00 C ATOM 147 CE1 PHE A 10 -0.520 -5.730 -1.101 1.00 0.00 C ATOM 148 CE2 PHE A 10 1.651 -6.765 -1.405 1.00 0.00 C ATOM 149 CZ PHE A 10 0.361 -6.493 -1.875 1.00 0.00 C ATOM 150 H PHE A 10 0.077 -3.033 2.378 1.00 0.00 H ATOM 151 HA PHE A 10 -0.097 -5.960 2.791 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.931 -3.942 1.846 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.465 -5.558 2.310 1.00 0.00 H ATOM 154 HD1 PHE A 10 -0.789 -4.646 0.737 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.057 -6.482 0.202 1.00 0.00 H ATOM 156 HE1 PHE A 10 -1.515 -5.520 -1.466 1.00 0.00 H ATOM 157 HE2 PHE A 10 2.331 -7.354 -2.004 1.00 0.00 H ATOM 158 HZ PHE A 10 0.045 -6.873 -2.835 1.00 0.00 H ATOM 159 N LEU A 11 0.998 -3.876 4.999 1.00 0.00 N ATOM 160 CA LEU A 11 1.508 -3.756 6.395 1.00 0.00 C ATOM 161 C LEU A 11 1.057 -4.956 7.231 1.00 0.00 C ATOM 162 O LEU A 11 -0.102 -5.077 7.575 1.00 0.00 O ATOM 163 CB LEU A 11 0.885 -2.464 6.928 1.00 0.00 C ATOM 164 CG LEU A 11 1.993 -1.481 7.315 1.00 0.00 C ATOM 165 CD1 LEU A 11 2.809 -2.060 8.472 1.00 0.00 C ATOM 166 CD2 LEU A 11 2.909 -1.244 6.111 1.00 0.00 C ATOM 167 H LEU A 11 0.644 -3.085 4.537 1.00 0.00 H ATOM 168 HA LEU A 11 2.583 -3.674 6.398 1.00 0.00 H ATOM 169 HB2 LEU A 11 0.262 -2.023 6.164 1.00 0.00 H ATOM 170 HB3 LEU A 11 0.285 -2.688 7.797 1.00 0.00 H ATOM 171 HG LEU A 11 1.550 -0.544 7.623 1.00 0.00 H ATOM 172 HD11 LEU A 11 2.167 -2.211 9.327 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.602 -1.375 8.734 1.00 0.00 H ATOM 174 HD13 LEU A 11 3.235 -3.007 8.173 1.00 0.00 H ATOM 175 HD21 LEU A 11 2.308 -1.046 5.236 1.00 0.00 H ATOM 176 HD22 LEU A 11 3.515 -2.121 5.942 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.549 -0.396 6.307 1.00 0.00 H HETATM 178 N NH2 A 12 1.934 -5.857 7.580 1.00 0.00 N HETATM 179 HN1 NH2 A 12 2.870 -5.763 7.303 1.00 0.00 H HETATM 180 HN2 NH2 A 12 1.658 -6.628 8.120 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 15 HETATM 1 C ACE A 1 -0.977 5.664 -3.886 1.00 0.00 C HETATM 2 O ACE A 1 -1.409 5.093 -2.903 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.597 7.145 -3.840 1.00 0.00 C HETATM 4 H1 ACE A 1 -1.384 7.703 -3.353 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.465 7.513 -4.846 1.00 0.00 H HETATM 6 H3 ACE A 1 0.323 7.264 -3.289 1.00 0.00 H ATOM 7 N LEU A 2 -0.817 5.033 -5.017 1.00 0.00 N ATOM 8 CA LEU A 2 -1.171 3.590 -5.117 1.00 0.00 C ATOM 9 C LEU A 2 -0.072 2.736 -4.491 1.00 0.00 C ATOM 10 O LEU A 2 -0.339 1.801 -3.764 1.00 0.00 O ATOM 11 CB LEU A 2 -1.286 3.308 -6.614 1.00 0.00 C ATOM 12 CG LEU A 2 -2.229 2.126 -6.841 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.604 2.445 -6.251 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.369 1.874 -8.343 1.00 0.00 C ATOM 15 H LEU A 2 -0.465 5.508 -5.798 1.00 0.00 H ATOM 16 HA LEU A 2 -2.113 3.402 -4.631 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.674 4.183 -7.115 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.310 3.069 -7.010 1.00 0.00 H ATOM 19 HG LEU A 2 -1.826 1.246 -6.362 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.576 2.306 -5.180 1.00 0.00 H ATOM 21 HD12 LEU A 2 -4.342 1.783 -6.681 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.864 3.469 -6.475 1.00 0.00 H ATOM 23 HD21 LEU A 2 -1.465 2.186 -8.846 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.208 2.436 -8.726 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.533 0.821 -8.518 1.00 0.00 H ATOM 26 N VAL A 3 1.162 3.057 -4.753 1.00 0.00 N ATOM 27 CA VAL A 3 2.269 2.267 -4.151 1.00 0.00 C ATOM 28 C VAL A 3 2.211 2.430 -2.633 1.00 0.00 C ATOM 29 O VAL A 3 2.563 1.540 -1.880 1.00 0.00 O ATOM 30 CB VAL A 3 3.553 2.871 -4.738 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.710 2.733 -3.744 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.906 2.133 -6.032 1.00 0.00 C ATOM 33 H VAL A 3 1.360 3.823 -5.330 1.00 0.00 H ATOM 34 HA VAL A 3 2.185 1.226 -4.427 1.00 0.00 H ATOM 35 HB VAL A 3 3.389 3.917 -4.956 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.638 2.994 -4.232 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.764 1.713 -3.392 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.545 3.394 -2.906 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.521 1.276 -5.800 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.446 2.796 -6.691 1.00 0.00 H ATOM 41 HG23 VAL A 3 2.999 1.803 -6.517 1.00 0.00 H ATOM 42 N GLY A 4 1.745 3.561 -2.183 1.00 0.00 N ATOM 43 CA GLY A 4 1.639 3.791 -0.717 1.00 0.00 C ATOM 44 C GLY A 4 0.453 2.991 -0.194 1.00 0.00 C ATOM 45 O GLY A 4 0.548 2.277 0.786 1.00 0.00 O ATOM 46 H GLY A 4 1.446 4.255 -2.814 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.549 3.460 -0.232 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.481 4.839 -0.521 1.00 0.00 H ATOM 49 N ARG A 5 -0.664 3.094 -0.858 1.00 0.00 N ATOM 50 CA ARG A 5 -1.862 2.329 -0.421 1.00 0.00 C ATOM 51 C ARG A 5 -1.531 0.837 -0.405 1.00 0.00 C ATOM 52 O ARG A 5 -1.988 0.095 0.442 1.00 0.00 O ATOM 53 CB ARG A 5 -2.926 2.632 -1.474 1.00 0.00 C ATOM 54 CG ARG A 5 -4.311 2.565 -0.832 1.00 0.00 C ATOM 55 CD ARG A 5 -4.737 3.967 -0.392 1.00 0.00 C ATOM 56 NE ARG A 5 -6.107 3.793 0.162 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.424 4.343 1.302 1.00 0.00 C ATOM 58 NH1 ARG A 5 -5.786 5.406 1.711 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.376 3.832 2.032 1.00 0.00 N ATOM 60 H ARG A 5 -0.710 3.666 -1.654 1.00 0.00 H ATOM 61 HA ARG A 5 -2.192 2.659 0.551 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.762 3.621 -1.877 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.865 1.904 -2.269 1.00 0.00 H ATOM 64 HG2 ARG A 5 -5.022 2.178 -1.548 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.277 1.915 0.029 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.065 4.341 0.369 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.761 4.636 -1.237 1.00 0.00 H ATOM 68 HE ARG A 5 -6.772 3.266 -0.328 1.00 0.00 H ATOM 69 HH11 ARG A 5 -5.055 5.796 1.150 1.00 0.00 H ATOM 70 HH12 ARG A 5 -6.026 5.828 2.584 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.865 3.018 1.719 1.00 0.00 H ATOM 72 HH22 ARG A 5 -7.617 4.254 2.906 1.00 0.00 H ATOM 73 N GLN A 6 -0.726 0.397 -1.333 1.00 0.00 N ATOM 74 CA GLN A 6 -0.349 -1.041 -1.372 1.00 0.00 C ATOM 75 C GLN A 6 0.545 -1.371 -0.176 1.00 0.00 C ATOM 76 O GLN A 6 0.305 -2.318 0.545 1.00 0.00 O ATOM 77 CB GLN A 6 0.420 -1.220 -2.682 1.00 0.00 C ATOM 78 CG GLN A 6 1.079 -2.599 -2.698 1.00 0.00 C ATOM 79 CD GLN A 6 1.664 -2.871 -4.085 1.00 0.00 C ATOM 80 OE1 GLN A 6 1.635 -2.017 -4.949 1.00 0.00 O ATOM 81 NE2 GLN A 6 2.200 -4.035 -4.337 1.00 0.00 N ATOM 82 H GLN A 6 -0.362 1.017 -2.000 1.00 0.00 H ATOM 83 HA GLN A 6 -1.230 -1.662 -1.371 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.263 -1.135 -3.514 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.181 -0.458 -2.760 1.00 0.00 H ATOM 86 HG2 GLN A 6 1.869 -2.628 -1.961 1.00 0.00 H ATOM 87 HG3 GLN A 6 0.342 -3.351 -2.466 1.00 0.00 H ATOM 88 HE21 GLN A 6 2.224 -4.724 -3.640 1.00 0.00 H ATOM 89 HE22 GLN A 6 2.578 -4.218 -5.223 1.00 0.00 H ATOM 90 N LEU A 7 1.571 -0.594 0.046 1.00 0.00 N ATOM 91 CA LEU A 7 2.467 -0.873 1.206 1.00 0.00 C ATOM 92 C LEU A 7 1.651 -0.893 2.499 1.00 0.00 C ATOM 93 O LEU A 7 1.708 -1.833 3.267 1.00 0.00 O ATOM 94 CB LEU A 7 3.480 0.276 1.218 1.00 0.00 C ATOM 95 CG LEU A 7 4.781 -0.167 0.538 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.458 -0.976 -0.721 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.595 1.071 0.148 1.00 0.00 C ATOM 98 H LEU A 7 1.751 0.172 -0.545 1.00 0.00 H ATOM 99 HA LEU A 7 2.975 -1.812 1.069 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.068 1.123 0.690 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.690 0.557 2.239 1.00 0.00 H ATOM 102 HG LEU A 7 5.355 -0.777 1.220 1.00 0.00 H ATOM 103 HD11 LEU A 7 3.499 -0.667 -1.110 1.00 0.00 H ATOM 104 HD12 LEU A 7 4.425 -2.027 -0.474 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.221 -0.805 -1.466 1.00 0.00 H ATOM 106 HD21 LEU A 7 6.412 1.199 0.844 1.00 0.00 H ATOM 107 HD22 LEU A 7 4.958 1.943 0.176 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.988 0.944 -0.849 1.00 0.00 H ATOM 109 N GLU A 8 0.876 0.130 2.740 1.00 0.00 N ATOM 110 CA GLU A 8 0.049 0.152 3.977 1.00 0.00 C ATOM 111 C GLU A 8 -1.015 -0.935 3.880 1.00 0.00 C ATOM 112 O GLU A 8 -1.535 -1.407 4.873 1.00 0.00 O ATOM 113 CB GLU A 8 -0.590 1.542 4.011 1.00 0.00 C ATOM 114 CG GLU A 8 -0.237 2.238 5.327 1.00 0.00 C ATOM 115 CD GLU A 8 1.284 2.301 5.484 1.00 0.00 C ATOM 116 OE1 GLU A 8 1.929 2.849 4.606 1.00 0.00 O ATOM 117 OE2 GLU A 8 1.778 1.800 6.481 1.00 0.00 O ATOM 118 H GLU A 8 0.830 0.873 2.104 1.00 0.00 H ATOM 119 HA GLU A 8 0.664 -0.001 4.850 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.220 2.127 3.183 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.663 1.447 3.935 1.00 0.00 H ATOM 122 HG2 GLU A 8 -0.641 3.240 5.322 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.660 1.684 6.153 1.00 0.00 H ATOM 124 N GLU A 9 -1.327 -1.353 2.684 1.00 0.00 N ATOM 125 CA GLU A 9 -2.339 -2.430 2.516 1.00 0.00 C ATOM 126 C GLU A 9 -1.684 -3.768 2.835 1.00 0.00 C ATOM 127 O GLU A 9 -2.325 -4.705 3.269 1.00 0.00 O ATOM 128 CB GLU A 9 -2.759 -2.365 1.048 1.00 0.00 C ATOM 129 CG GLU A 9 -3.532 -3.634 0.681 1.00 0.00 C ATOM 130 CD GLU A 9 -2.759 -4.413 -0.385 1.00 0.00 C ATOM 131 OE1 GLU A 9 -1.994 -3.794 -1.105 1.00 0.00 O ATOM 132 OE2 GLU A 9 -2.946 -5.616 -0.462 1.00 0.00 O ATOM 133 H GLU A 9 -0.881 -0.968 1.899 1.00 0.00 H ATOM 134 HA GLU A 9 -3.186 -2.259 3.160 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.388 -1.500 0.891 1.00 0.00 H ATOM 136 HB3 GLU A 9 -1.880 -2.289 0.427 1.00 0.00 H ATOM 137 HG2 GLU A 9 -3.654 -4.248 1.562 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.503 -3.364 0.293 1.00 0.00 H ATOM 139 N PHE A 10 -0.397 -3.851 2.641 1.00 0.00 N ATOM 140 CA PHE A 10 0.326 -5.113 2.950 1.00 0.00 C ATOM 141 C PHE A 10 0.750 -5.091 4.419 1.00 0.00 C ATOM 142 O PHE A 10 1.033 -6.113 5.010 1.00 0.00 O ATOM 143 CB PHE A 10 1.549 -5.105 2.032 1.00 0.00 C ATOM 144 CG PHE A 10 1.806 -6.498 1.509 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.138 -6.953 0.366 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.717 -7.334 2.166 1.00 0.00 C ATOM 147 CE1 PHE A 10 1.379 -8.245 -0.121 1.00 0.00 C ATOM 148 CE2 PHE A 10 2.958 -8.625 1.680 1.00 0.00 C ATOM 149 CZ PHE A 10 2.290 -9.081 0.537 1.00 0.00 C ATOM 150 H PHE A 10 0.098 -3.072 2.306 1.00 0.00 H ATOM 151 HA PHE A 10 -0.295 -5.970 2.743 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.370 -4.438 1.201 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.412 -4.766 2.585 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.435 -6.308 -0.141 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.233 -6.985 3.047 1.00 0.00 H ATOM 156 HE1 PHE A 10 0.864 -8.595 -1.002 1.00 0.00 H ATOM 157 HE2 PHE A 10 3.660 -9.271 2.187 1.00 0.00 H ATOM 158 HZ PHE A 10 2.476 -10.076 0.163 1.00 0.00 H ATOM 159 N LEU A 11 0.784 -3.919 5.007 1.00 0.00 N ATOM 160 CA LEU A 11 1.180 -3.796 6.444 1.00 0.00 C ATOM 161 C LEU A 11 2.279 -4.806 6.787 1.00 0.00 C ATOM 162 O LEU A 11 2.003 -5.935 7.136 1.00 0.00 O ATOM 163 CB LEU A 11 -0.100 -4.098 7.227 1.00 0.00 C ATOM 164 CG LEU A 11 0.007 -3.527 8.645 1.00 0.00 C ATOM 165 CD1 LEU A 11 1.334 -3.954 9.276 1.00 0.00 C ATOM 166 CD2 LEU A 11 -0.058 -2.000 8.585 1.00 0.00 C ATOM 167 H LEU A 11 0.540 -3.114 4.499 1.00 0.00 H ATOM 168 HA LEU A 11 1.511 -2.792 6.657 1.00 0.00 H ATOM 169 HB2 LEU A 11 -0.942 -3.647 6.721 1.00 0.00 H ATOM 170 HB3 LEU A 11 -0.243 -5.165 7.281 1.00 0.00 H ATOM 171 HG LEU A 11 -0.811 -3.900 9.244 1.00 0.00 H ATOM 172 HD11 LEU A 11 2.140 -3.386 8.836 1.00 0.00 H ATOM 173 HD12 LEU A 11 1.495 -5.006 9.097 1.00 0.00 H ATOM 174 HD13 LEU A 11 1.302 -3.769 10.340 1.00 0.00 H ATOM 175 HD21 LEU A 11 0.790 -1.583 9.108 1.00 0.00 H ATOM 176 HD22 LEU A 11 -0.972 -1.660 9.050 1.00 0.00 H ATOM 177 HD23 LEU A 11 -0.038 -1.681 7.553 1.00 0.00 H HETATM 178 N NH2 A 12 3.530 -4.443 6.697 1.00 0.00 N HETATM 179 HN1 NH2 A 12 3.755 -3.531 6.416 1.00 0.00 H HETATM 180 HN2 NH2 A 12 4.241 -5.080 6.909 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 16 HETATM 1 C ACE A 1 -0.564 5.873 -3.935 1.00 0.00 C HETATM 2 O ACE A 1 -0.916 5.298 -2.921 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.013 7.301 -3.889 1.00 0.00 C HETATM 4 H1 ACE A 1 1.047 7.283 -4.096 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.182 7.721 -2.908 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.516 7.906 -4.630 1.00 0.00 H ATOM 7 N LEU A 2 -0.634 5.292 -5.102 1.00 0.00 N ATOM 8 CA LEU A 2 -1.155 3.902 -5.210 1.00 0.00 C ATOM 9 C LEU A 2 -0.156 2.935 -4.582 1.00 0.00 C ATOM 10 O LEU A 2 -0.524 1.967 -3.947 1.00 0.00 O ATOM 11 CB LEU A 2 -1.292 3.641 -6.711 1.00 0.00 C ATOM 12 CG LEU A 2 -2.340 2.553 -6.948 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.735 3.125 -6.696 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.242 2.062 -8.394 1.00 0.00 C ATOM 15 H LEU A 2 -0.338 5.768 -5.904 1.00 0.00 H ATOM 16 HA LEU A 2 -2.115 3.821 -4.728 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.597 4.551 -7.207 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.341 3.316 -7.107 1.00 0.00 H ATOM 19 HG LEU A 2 -2.161 1.728 -6.273 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.915 3.182 -5.633 1.00 0.00 H ATOM 21 HD12 LEU A 2 -4.476 2.485 -7.153 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.801 4.114 -7.126 1.00 0.00 H ATOM 23 HD21 LEU A 2 -1.900 2.868 -9.026 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.215 1.732 -8.729 1.00 0.00 H ATOM 25 HD23 LEU A 2 -1.544 1.240 -8.449 1.00 0.00 H ATOM 26 N VAL A 3 1.110 3.204 -4.742 1.00 0.00 N ATOM 27 CA VAL A 3 2.138 2.313 -4.140 1.00 0.00 C ATOM 28 C VAL A 3 2.061 2.426 -2.619 1.00 0.00 C ATOM 29 O VAL A 3 2.359 1.493 -1.892 1.00 0.00 O ATOM 30 CB VAL A 3 3.477 2.842 -4.659 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.416 2.970 -6.181 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.756 4.215 -4.045 1.00 0.00 C ATOM 33 H VAL A 3 1.381 3.999 -5.247 1.00 0.00 H ATOM 34 HA VAL A 3 1.991 1.292 -4.455 1.00 0.00 H ATOM 35 HB VAL A 3 4.265 2.155 -4.386 1.00 0.00 H ATOM 36 HG11 VAL A 3 2.863 3.858 -6.447 1.00 0.00 H ATOM 37 HG12 VAL A 3 2.924 2.102 -6.596 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.419 3.038 -6.576 1.00 0.00 H ATOM 39 HG21 VAL A 3 2.826 4.749 -3.916 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.406 4.777 -4.700 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.235 4.088 -3.085 1.00 0.00 H ATOM 42 N GLY A 4 1.634 3.561 -2.136 1.00 0.00 N ATOM 43 CA GLY A 4 1.506 3.746 -0.665 1.00 0.00 C ATOM 44 C GLY A 4 0.288 2.965 -0.192 1.00 0.00 C ATOM 45 O GLY A 4 0.339 2.245 0.783 1.00 0.00 O ATOM 46 H GLY A 4 1.379 4.286 -2.745 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.395 3.375 -0.175 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.373 4.792 -0.440 1.00 0.00 H ATOM 49 N ARG A 5 -0.806 3.085 -0.890 1.00 0.00 N ATOM 50 CA ARG A 5 -2.023 2.327 -0.492 1.00 0.00 C ATOM 51 C ARG A 5 -1.680 0.838 -0.414 1.00 0.00 C ATOM 52 O ARG A 5 -2.031 0.152 0.527 1.00 0.00 O ATOM 53 CB ARG A 5 -3.033 2.583 -1.612 1.00 0.00 C ATOM 54 CG ARG A 5 -3.729 3.923 -1.382 1.00 0.00 C ATOM 55 CD ARG A 5 -5.061 3.688 -0.667 1.00 0.00 C ATOM 56 NE ARG A 5 -4.781 3.980 0.763 1.00 0.00 N ATOM 57 CZ ARG A 5 -4.378 5.169 1.116 1.00 0.00 C ATOM 58 NH1 ARG A 5 -4.666 6.201 0.372 1.00 0.00 N ATOM 59 NH2 ARG A 5 -3.688 5.327 2.212 1.00 0.00 N ATOM 60 H ARG A 5 -0.824 3.662 -1.685 1.00 0.00 H ATOM 61 HA ARG A 5 -2.407 2.684 0.450 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.519 2.601 -2.562 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.769 1.793 -1.618 1.00 0.00 H ATOM 64 HG2 ARG A 5 -3.099 4.557 -0.773 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.912 4.403 -2.331 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.816 4.361 -1.052 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.374 2.663 -0.783 1.00 0.00 H ATOM 68 HE ARG A 5 -4.897 3.280 1.439 1.00 0.00 H ATOM 69 HH11 ARG A 5 -5.196 6.079 -0.467 1.00 0.00 H ATOM 70 HH12 ARG A 5 -4.357 7.113 0.640 1.00 0.00 H ATOM 71 HH21 ARG A 5 -3.467 4.536 2.782 1.00 0.00 H ATOM 72 HH22 ARG A 5 -3.377 6.239 2.481 1.00 0.00 H ATOM 73 N GLN A 6 -0.985 0.338 -1.401 1.00 0.00 N ATOM 74 CA GLN A 6 -0.604 -1.101 -1.396 1.00 0.00 C ATOM 75 C GLN A 6 0.261 -1.405 -0.172 1.00 0.00 C ATOM 76 O GLN A 6 -0.093 -2.217 0.660 1.00 0.00 O ATOM 77 CB GLN A 6 0.190 -1.308 -2.688 1.00 0.00 C ATOM 78 CG GLN A 6 -0.627 -2.166 -3.657 1.00 0.00 C ATOM 79 CD GLN A 6 0.311 -2.852 -4.654 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.990 -3.801 -4.314 1.00 0.00 O ATOM 81 NE2 GLN A 6 0.377 -2.412 -5.881 1.00 0.00 N ATOM 82 H GLN A 6 -0.709 0.914 -2.144 1.00 0.00 H ATOM 83 HA GLN A 6 -1.485 -1.724 -1.400 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.396 -0.348 -3.140 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.120 -1.808 -2.462 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.172 -2.915 -3.101 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.322 -1.539 -4.195 1.00 0.00 H ATOM 88 HE21 GLN A 6 -0.171 -1.649 -6.158 1.00 0.00 H ATOM 89 HE22 GLN A 6 0.976 -2.846 -6.526 1.00 0.00 H ATOM 90 N LEU A 7 1.389 -0.757 -0.048 1.00 0.00 N ATOM 91 CA LEU A 7 2.258 -1.018 1.136 1.00 0.00 C ATOM 92 C LEU A 7 1.423 -0.945 2.416 1.00 0.00 C ATOM 93 O LEU A 7 1.532 -1.781 3.292 1.00 0.00 O ATOM 94 CB LEU A 7 3.311 0.091 1.117 1.00 0.00 C ATOM 95 CG LEU A 7 4.688 -0.512 1.400 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.634 -1.317 2.700 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.084 -1.435 0.246 1.00 0.00 C ATOM 98 H LEU A 7 1.659 -0.098 -0.727 1.00 0.00 H ATOM 99 HA LEU A 7 2.734 -1.982 1.050 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.315 0.568 0.147 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.077 0.821 1.877 1.00 0.00 H ATOM 102 HG LEU A 7 5.416 0.282 1.497 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.549 -1.167 3.255 1.00 0.00 H ATOM 104 HD12 LEU A 7 4.524 -2.366 2.466 1.00 0.00 H ATOM 105 HD13 LEU A 7 3.793 -0.990 3.292 1.00 0.00 H ATOM 106 HD21 LEU A 7 6.105 -1.761 0.379 1.00 0.00 H ATOM 107 HD22 LEU A 7 4.997 -0.903 -0.690 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.432 -2.296 0.233 1.00 0.00 H ATOM 109 N GLU A 8 0.578 0.043 2.522 1.00 0.00 N ATOM 110 CA GLU A 8 -0.273 0.162 3.736 1.00 0.00 C ATOM 111 C GLU A 8 -1.196 -1.049 3.811 1.00 0.00 C ATOM 112 O GLU A 8 -1.619 -1.461 4.872 1.00 0.00 O ATOM 113 CB GLU A 8 -1.080 1.447 3.537 1.00 0.00 C ATOM 114 CG GLU A 8 -1.435 2.044 4.901 1.00 0.00 C ATOM 115 CD GLU A 8 -2.940 1.915 5.138 1.00 0.00 C ATOM 116 OE1 GLU A 8 -3.680 1.983 4.170 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.328 1.748 6.282 1.00 0.00 O ATOM 118 H GLU A 8 0.496 0.696 1.801 1.00 0.00 H ATOM 119 HA GLU A 8 0.336 0.234 4.623 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.490 2.157 2.975 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.986 1.223 2.998 1.00 0.00 H ATOM 122 HG2 GLU A 8 -0.900 1.515 5.677 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.158 3.087 4.921 1.00 0.00 H ATOM 124 N GLU A 9 -1.497 -1.627 2.683 1.00 0.00 N ATOM 125 CA GLU A 9 -2.381 -2.825 2.675 1.00 0.00 C ATOM 126 C GLU A 9 -1.562 -4.070 3.023 1.00 0.00 C ATOM 127 O GLU A 9 -2.092 -5.078 3.445 1.00 0.00 O ATOM 128 CB GLU A 9 -2.922 -2.916 1.248 1.00 0.00 C ATOM 129 CG GLU A 9 -4.210 -3.740 1.244 1.00 0.00 C ATOM 130 CD GLU A 9 -5.373 -2.869 1.720 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.725 -1.946 1.005 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.888 -3.139 2.792 1.00 0.00 O ATOM 133 H GLU A 9 -1.134 -1.276 1.840 1.00 0.00 H ATOM 134 HA GLU A 9 -3.192 -2.700 3.372 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.127 -1.922 0.878 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.189 -3.392 0.615 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.408 -4.093 0.243 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.099 -4.583 1.909 1.00 0.00 H ATOM 139 N PHE A 10 -0.270 -3.999 2.855 1.00 0.00 N ATOM 140 CA PHE A 10 0.590 -5.170 3.184 1.00 0.00 C ATOM 141 C PHE A 10 1.160 -5.009 4.594 1.00 0.00 C ATOM 142 O PHE A 10 1.701 -5.934 5.167 1.00 0.00 O ATOM 143 CB PHE A 10 1.708 -5.145 2.143 1.00 0.00 C ATOM 144 CG PHE A 10 1.111 -5.283 0.763 1.00 0.00 C ATOM 145 CD1 PHE A 10 0.311 -6.391 0.454 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.354 -4.303 -0.205 1.00 0.00 C ATOM 147 CE1 PHE A 10 -0.245 -6.517 -0.825 1.00 0.00 C ATOM 148 CE2 PHE A 10 0.797 -4.429 -1.484 1.00 0.00 C ATOM 149 CZ PHE A 10 -0.002 -5.536 -1.793 1.00 0.00 C ATOM 150 H PHE A 10 0.137 -3.173 2.519 1.00 0.00 H ATOM 151 HA PHE A 10 0.029 -6.087 3.104 1.00 0.00 H ATOM 152 HB2 PHE A 10 2.243 -4.210 2.212 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.388 -5.964 2.324 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.123 -7.147 1.202 1.00 0.00 H ATOM 155 HD2 PHE A 10 1.970 -3.450 0.033 1.00 0.00 H ATOM 156 HE1 PHE A 10 -0.862 -7.371 -1.063 1.00 0.00 H ATOM 157 HE2 PHE A 10 0.984 -3.673 -2.230 1.00 0.00 H ATOM 158 HZ PHE A 10 -0.432 -5.633 -2.779 1.00 0.00 H ATOM 159 N LEU A 11 1.039 -3.838 5.160 1.00 0.00 N ATOM 160 CA LEU A 11 1.570 -3.617 6.537 1.00 0.00 C ATOM 161 C LEU A 11 0.443 -3.179 7.476 1.00 0.00 C ATOM 162 O LEU A 11 0.628 -3.092 8.673 1.00 0.00 O ATOM 163 CB LEU A 11 2.606 -2.503 6.393 1.00 0.00 C ATOM 164 CG LEU A 11 3.939 -2.967 6.984 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.761 -3.279 8.471 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.408 -4.227 6.253 1.00 0.00 C ATOM 167 H LEU A 11 0.596 -3.104 4.681 1.00 0.00 H ATOM 168 HA LEU A 11 2.042 -4.514 6.906 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.738 -2.266 5.347 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.268 -1.625 6.921 1.00 0.00 H ATOM 171 HG LEU A 11 4.676 -2.185 6.867 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.540 -3.954 8.792 1.00 0.00 H ATOM 173 HD12 LEU A 11 2.797 -3.740 8.630 1.00 0.00 H ATOM 174 HD13 LEU A 11 3.821 -2.363 9.041 1.00 0.00 H ATOM 175 HD21 LEU A 11 5.215 -3.974 5.580 1.00 0.00 H ATOM 176 HD22 LEU A 11 3.586 -4.643 5.689 1.00 0.00 H ATOM 177 HD23 LEU A 11 4.754 -4.953 6.974 1.00 0.00 H HETATM 178 N NH2 A 12 -0.728 -2.892 6.979 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.881 -2.961 6.013 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -1.455 -2.605 7.570 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 17 HETATM 1 C ACE A 1 -0.825 5.580 -3.895 1.00 0.00 C HETATM 2 O ACE A 1 -1.401 4.965 -3.019 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.453 7.053 -3.720 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.727 7.601 -4.609 1.00 0.00 H HETATM 5 H2 ACE A 1 0.610 7.139 -3.556 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.983 7.458 -2.871 1.00 0.00 H ATOM 7 N LEU A 2 -0.497 5.006 -5.021 1.00 0.00 N ATOM 8 CA LEU A 2 -0.833 3.572 -5.245 1.00 0.00 C ATOM 9 C LEU A 2 0.152 2.690 -4.482 1.00 0.00 C ATOM 10 O LEU A 2 -0.234 1.786 -3.767 1.00 0.00 O ATOM 11 CB LEU A 2 -0.694 3.360 -6.755 1.00 0.00 C ATOM 12 CG LEU A 2 -1.520 2.146 -7.181 1.00 0.00 C ATOM 13 CD1 LEU A 2 -1.246 1.838 -8.654 1.00 0.00 C ATOM 14 CD2 LEU A 2 -1.127 0.938 -6.328 1.00 0.00 C ATOM 15 H LEU A 2 -0.027 5.513 -5.714 1.00 0.00 H ATOM 16 HA LEU A 2 -1.842 3.369 -4.932 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.050 4.238 -7.274 1.00 0.00 H ATOM 18 HB3 LEU A 2 0.343 3.191 -7.000 1.00 0.00 H ATOM 19 HG LEU A 2 -2.571 2.358 -7.047 1.00 0.00 H ATOM 20 HD11 LEU A 2 -0.559 1.008 -8.726 1.00 0.00 H ATOM 21 HD12 LEU A 2 -0.810 2.707 -9.126 1.00 0.00 H ATOM 22 HD13 LEU A 2 -2.172 1.585 -9.149 1.00 0.00 H ATOM 23 HD21 LEU A 2 -1.584 0.047 -6.732 1.00 0.00 H ATOM 24 HD22 LEU A 2 -1.465 1.088 -5.314 1.00 0.00 H ATOM 25 HD23 LEU A 2 -0.052 0.825 -6.335 1.00 0.00 H ATOM 26 N VAL A 3 1.422 2.955 -4.614 1.00 0.00 N ATOM 27 CA VAL A 3 2.423 2.137 -3.875 1.00 0.00 C ATOM 28 C VAL A 3 2.257 2.384 -2.377 1.00 0.00 C ATOM 29 O VAL A 3 2.585 1.553 -1.552 1.00 0.00 O ATOM 30 CB VAL A 3 3.790 2.622 -4.365 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.012 4.074 -3.931 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.887 1.741 -3.763 1.00 0.00 C ATOM 33 H VAL A 3 1.711 3.700 -5.182 1.00 0.00 H ATOM 34 HA VAL A 3 2.296 1.089 -4.104 1.00 0.00 H ATOM 35 HB VAL A 3 3.829 2.560 -5.443 1.00 0.00 H ATOM 36 HG11 VAL A 3 3.558 4.236 -2.966 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.565 4.738 -4.656 1.00 0.00 H ATOM 38 HG13 VAL A 3 5.072 4.272 -3.867 1.00 0.00 H ATOM 39 HG21 VAL A 3 5.845 2.224 -3.883 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.901 0.786 -4.269 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.691 1.588 -2.712 1.00 0.00 H ATOM 42 N GLY A 4 1.721 3.523 -2.027 1.00 0.00 N ATOM 43 CA GLY A 4 1.503 3.836 -0.588 1.00 0.00 C ATOM 44 C GLY A 4 0.274 3.069 -0.110 1.00 0.00 C ATOM 45 O GLY A 4 0.261 2.501 0.963 1.00 0.00 O ATOM 46 H GLY A 4 1.446 4.165 -2.715 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.369 3.536 -0.015 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.334 4.895 -0.467 1.00 0.00 H ATOM 49 N ARG A 5 -0.756 3.035 -0.909 1.00 0.00 N ATOM 50 CA ARG A 5 -1.981 2.287 -0.512 1.00 0.00 C ATOM 51 C ARG A 5 -1.653 0.797 -0.422 1.00 0.00 C ATOM 52 O ARG A 5 -1.992 0.130 0.535 1.00 0.00 O ATOM 53 CB ARG A 5 -2.988 2.547 -1.632 1.00 0.00 C ATOM 54 CG ARG A 5 -4.331 2.960 -1.027 1.00 0.00 C ATOM 55 CD ARG A 5 -4.857 1.834 -0.134 1.00 0.00 C ATOM 56 NE ARG A 5 -4.858 2.405 1.240 1.00 0.00 N ATOM 57 CZ ARG A 5 -4.415 1.696 2.243 1.00 0.00 C ATOM 58 NH1 ARG A 5 -4.604 0.406 2.265 1.00 0.00 N ATOM 59 NH2 ARG A 5 -3.778 2.279 3.222 1.00 0.00 N ATOM 60 H ARG A 5 -0.721 3.494 -1.777 1.00 0.00 H ATOM 61 HA ARG A 5 -2.362 2.652 0.428 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.621 3.339 -2.269 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.119 1.649 -2.215 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.201 3.857 -0.438 1.00 0.00 H ATOM 65 HG3 ARG A 5 -5.039 3.150 -1.820 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.859 1.559 -0.431 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.200 0.980 -0.180 1.00 0.00 H ATOM 68 HE ARG A 5 -5.192 3.313 1.394 1.00 0.00 H ATOM 69 HH11 ARG A 5 -5.092 -0.041 1.515 1.00 0.00 H ATOM 70 HH12 ARG A 5 -4.263 -0.136 3.034 1.00 0.00 H ATOM 71 HH21 ARG A 5 -3.631 3.268 3.204 1.00 0.00 H ATOM 72 HH22 ARG A 5 -3.438 1.736 3.991 1.00 0.00 H ATOM 73 N GLN A 6 -0.980 0.273 -1.410 1.00 0.00 N ATOM 74 CA GLN A 6 -0.617 -1.170 -1.381 1.00 0.00 C ATOM 75 C GLN A 6 0.308 -1.439 -0.193 1.00 0.00 C ATOM 76 O GLN A 6 0.134 -2.392 0.539 1.00 0.00 O ATOM 77 CB GLN A 6 0.114 -1.423 -2.700 1.00 0.00 C ATOM 78 CG GLN A 6 -0.106 -2.874 -3.134 1.00 0.00 C ATOM 79 CD GLN A 6 -0.417 -2.917 -4.631 1.00 0.00 C ATOM 80 OE1 GLN A 6 -1.516 -3.252 -5.026 1.00 0.00 O ATOM 81 NE2 GLN A 6 0.511 -2.588 -5.487 1.00 0.00 N ATOM 82 H GLN A 6 -0.708 0.832 -2.169 1.00 0.00 H ATOM 83 HA GLN A 6 -1.502 -1.783 -1.321 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.273 -0.758 -3.458 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.170 -1.246 -2.568 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.787 -3.448 -2.933 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.935 -3.292 -2.583 1.00 0.00 H ATOM 88 HE21 GLN A 6 1.398 -2.317 -5.170 1.00 0.00 H ATOM 89 HE22 GLN A 6 0.323 -2.613 -6.449 1.00 0.00 H ATOM 90 N LEU A 7 1.285 -0.595 0.009 1.00 0.00 N ATOM 91 CA LEU A 7 2.212 -0.795 1.157 1.00 0.00 C ATOM 92 C LEU A 7 1.436 -0.712 2.473 1.00 0.00 C ATOM 93 O LEU A 7 1.624 -1.513 3.368 1.00 0.00 O ATOM 94 CB LEU A 7 3.220 0.351 1.055 1.00 0.00 C ATOM 95 CG LEU A 7 4.420 0.059 1.958 1.00 0.00 C ATOM 96 CD1 LEU A 7 3.971 0.056 3.419 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.001 -1.310 1.602 1.00 0.00 C ATOM 98 H LEU A 7 1.404 0.173 -0.591 1.00 0.00 H ATOM 99 HA LEU A 7 2.716 -1.743 1.076 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.553 0.448 0.032 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.752 1.271 1.370 1.00 0.00 H ATOM 102 HG LEU A 7 5.171 0.822 1.813 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.796 0.350 4.050 1.00 0.00 H ATOM 104 HD12 LEU A 7 3.644 -0.937 3.694 1.00 0.00 H ATOM 105 HD13 LEU A 7 3.155 0.752 3.547 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.698 -2.033 2.344 1.00 0.00 H ATOM 107 HD22 LEU A 7 6.078 -1.248 1.579 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.636 -1.614 0.632 1.00 0.00 H ATOM 109 N GLU A 8 0.561 0.248 2.595 1.00 0.00 N ATOM 110 CA GLU A 8 -0.229 0.374 3.850 1.00 0.00 C ATOM 111 C GLU A 8 -1.238 -0.767 3.937 1.00 0.00 C ATOM 112 O GLU A 8 -1.708 -1.117 5.001 1.00 0.00 O ATOM 113 CB GLU A 8 -0.950 1.718 3.742 1.00 0.00 C ATOM 114 CG GLU A 8 0.079 2.849 3.686 1.00 0.00 C ATOM 115 CD GLU A 8 0.006 3.669 4.976 1.00 0.00 C ATOM 116 OE1 GLU A 8 -0.624 3.208 5.914 1.00 0.00 O ATOM 117 OE2 GLU A 8 0.583 4.744 5.006 1.00 0.00 O ATOM 118 H GLU A 8 0.420 0.877 1.860 1.00 0.00 H ATOM 119 HA GLU A 8 0.423 0.370 4.708 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.551 1.732 2.844 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.586 1.855 4.603 1.00 0.00 H ATOM 122 HG2 GLU A 8 1.069 2.430 3.580 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.134 3.490 2.843 1.00 0.00 H ATOM 124 N GLU A 9 -1.566 -1.356 2.822 1.00 0.00 N ATOM 125 CA GLU A 9 -2.538 -2.483 2.837 1.00 0.00 C ATOM 126 C GLU A 9 -1.783 -3.801 2.972 1.00 0.00 C ATOM 127 O GLU A 9 -2.344 -4.822 3.318 1.00 0.00 O ATOM 128 CB GLU A 9 -3.265 -2.402 1.494 1.00 0.00 C ATOM 129 CG GLU A 9 -4.454 -3.364 1.498 1.00 0.00 C ATOM 130 CD GLU A 9 -5.295 -3.132 2.755 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.535 -1.980 3.078 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.683 -4.108 3.374 1.00 0.00 O ATOM 133 H GLU A 9 -1.166 -1.061 1.975 1.00 0.00 H ATOM 134 HA GLU A 9 -3.239 -2.365 3.648 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.618 -1.392 1.338 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.587 -2.673 0.699 1.00 0.00 H ATOM 137 HG2 GLU A 9 -5.060 -3.189 0.621 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.093 -4.382 1.491 1.00 0.00 H ATOM 139 N PHE A 10 -0.506 -3.779 2.714 1.00 0.00 N ATOM 140 CA PHE A 10 0.303 -5.020 2.838 1.00 0.00 C ATOM 141 C PHE A 10 1.062 -4.998 4.165 1.00 0.00 C ATOM 142 O PHE A 10 1.604 -5.995 4.602 1.00 0.00 O ATOM 143 CB PHE A 10 1.273 -4.984 1.659 1.00 0.00 C ATOM 144 CG PHE A 10 2.168 -6.197 1.710 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.610 -7.470 1.883 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.554 -6.051 1.586 1.00 0.00 C ATOM 147 CE1 PHE A 10 2.440 -8.596 1.932 1.00 0.00 C ATOM 148 CE2 PHE A 10 4.383 -7.177 1.635 1.00 0.00 C ATOM 149 CZ PHE A 10 3.826 -8.450 1.808 1.00 0.00 C ATOM 150 H PHE A 10 -0.076 -2.938 2.447 1.00 0.00 H ATOM 151 HA PHE A 10 -0.327 -5.892 2.776 1.00 0.00 H ATOM 152 HB2 PHE A 10 0.715 -4.985 0.734 1.00 0.00 H ATOM 153 HB3 PHE A 10 1.877 -4.089 1.714 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.540 -7.581 1.978 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.984 -5.069 1.452 1.00 0.00 H ATOM 156 HE1 PHE A 10 2.009 -9.579 2.067 1.00 0.00 H ATOM 157 HE2 PHE A 10 5.453 -7.066 1.539 1.00 0.00 H ATOM 158 HZ PHE A 10 4.467 -9.319 1.847 1.00 0.00 H ATOM 159 N LEU A 11 1.101 -3.865 4.812 1.00 0.00 N ATOM 160 CA LEU A 11 1.821 -3.773 6.114 1.00 0.00 C ATOM 161 C LEU A 11 1.158 -2.721 7.010 1.00 0.00 C ATOM 162 O LEU A 11 0.092 -2.946 7.547 1.00 0.00 O ATOM 163 CB LEU A 11 3.248 -3.359 5.753 1.00 0.00 C ATOM 164 CG LEU A 11 4.112 -3.379 7.013 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.933 -4.669 7.045 1.00 0.00 C ATOM 166 CD2 LEU A 11 5.054 -2.171 7.006 1.00 0.00 C ATOM 167 H LEU A 11 0.655 -3.073 4.442 1.00 0.00 H ATOM 168 HA LEU A 11 1.831 -4.732 6.605 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.649 -4.051 5.027 1.00 0.00 H ATOM 170 HB3 LEU A 11 3.242 -2.363 5.336 1.00 0.00 H ATOM 171 HG LEU A 11 3.476 -3.337 7.885 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.304 -5.486 7.363 1.00 0.00 H ATOM 173 HD12 LEU A 11 5.755 -4.557 7.735 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.317 -4.874 6.056 1.00 0.00 H ATOM 175 HD21 LEU A 11 5.603 -2.137 7.936 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.476 -1.265 6.895 1.00 0.00 H ATOM 177 HD23 LEU A 11 5.747 -2.259 6.183 1.00 0.00 H HETATM 178 N NH2 A 12 1.743 -1.568 7.196 1.00 0.00 N HETATM 179 HN1 NH2 A 12 2.603 -1.377 6.768 1.00 0.00 H HETATM 180 HN2 NH2 A 12 1.319 -0.891 7.764 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 18 HETATM 1 C ACE A 1 -0.838 5.663 -4.003 1.00 0.00 C HETATM 2 O ACE A 1 -1.246 5.118 -2.994 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.412 7.132 -3.996 1.00 0.00 C HETATM 4 H1 ACE A 1 -1.284 7.758 -3.877 1.00 0.00 H HETATM 5 H2 ACE A 1 0.076 7.368 -4.930 1.00 0.00 H HETATM 6 H3 ACE A 1 0.271 7.305 -3.178 1.00 0.00 H ATOM 7 N LEU A 2 -0.741 5.015 -5.131 1.00 0.00 N ATOM 8 CA LEU A 2 -1.138 3.582 -5.197 1.00 0.00 C ATOM 9 C LEU A 2 -0.075 2.720 -4.516 1.00 0.00 C ATOM 10 O LEU A 2 -0.382 1.776 -3.815 1.00 0.00 O ATOM 11 CB LEU A 2 -1.234 3.261 -6.689 1.00 0.00 C ATOM 12 CG LEU A 2 -2.479 2.413 -6.951 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.395 1.120 -6.140 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.726 3.195 -6.532 1.00 0.00 C ATOM 15 H LEU A 2 -0.405 5.467 -5.931 1.00 0.00 H ATOM 16 HA LEU A 2 -2.095 3.438 -4.724 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.299 4.182 -7.250 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.355 2.713 -6.996 1.00 0.00 H ATOM 19 HG LEU A 2 -2.538 2.175 -8.004 1.00 0.00 H ATOM 20 HD11 LEU A 2 -1.524 1.152 -5.500 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.318 0.277 -6.810 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.282 1.017 -5.533 1.00 0.00 H ATOM 23 HD21 LEU A 2 -4.117 2.784 -5.612 1.00 0.00 H ATOM 24 HD22 LEU A 2 -4.477 3.119 -7.306 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.469 4.232 -6.382 1.00 0.00 H ATOM 26 N VAL A 3 1.173 3.048 -4.703 1.00 0.00 N ATOM 27 CA VAL A 3 2.250 2.257 -4.046 1.00 0.00 C ATOM 28 C VAL A 3 2.181 2.484 -2.536 1.00 0.00 C ATOM 29 O VAL A 3 2.545 1.632 -1.744 1.00 0.00 O ATOM 30 CB VAL A 3 3.559 2.801 -4.623 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.568 4.329 -4.553 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.739 2.249 -3.821 1.00 0.00 C ATOM 33 H VAL A 3 1.399 3.822 -5.261 1.00 0.00 H ATOM 34 HA VAL A 3 2.148 1.209 -4.275 1.00 0.00 H ATOM 35 HB VAL A 3 3.647 2.492 -5.652 1.00 0.00 H ATOM 36 HG11 VAL A 3 2.726 4.668 -3.970 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.500 4.735 -5.551 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.484 4.663 -4.090 1.00 0.00 H ATOM 39 HG21 VAL A 3 5.622 2.237 -4.442 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.514 1.244 -3.494 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.912 2.877 -2.959 1.00 0.00 H ATOM 42 N GLY A 4 1.688 3.625 -2.136 1.00 0.00 N ATOM 43 CA GLY A 4 1.562 3.915 -0.683 1.00 0.00 C ATOM 44 C GLY A 4 0.404 3.093 -0.136 1.00 0.00 C ATOM 45 O GLY A 4 0.517 2.433 0.877 1.00 0.00 O ATOM 46 H GLY A 4 1.379 4.280 -2.797 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.478 3.642 -0.177 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.361 4.965 -0.535 1.00 0.00 H ATOM 49 N ARG A 5 -0.710 3.109 -0.816 1.00 0.00 N ATOM 50 CA ARG A 5 -1.870 2.304 -0.349 1.00 0.00 C ATOM 51 C ARG A 5 -1.487 0.826 -0.373 1.00 0.00 C ATOM 52 O ARG A 5 -1.844 0.066 0.504 1.00 0.00 O ATOM 53 CB ARG A 5 -2.987 2.588 -1.354 1.00 0.00 C ATOM 54 CG ARG A 5 -3.786 3.807 -0.896 1.00 0.00 C ATOM 55 CD ARG A 5 -5.104 3.877 -1.672 1.00 0.00 C ATOM 56 NE ARG A 5 -4.788 4.672 -2.891 1.00 0.00 N ATOM 57 CZ ARG A 5 -5.744 5.264 -3.550 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.752 4.570 -4.003 1.00 0.00 N ATOM 59 NH2 ARG A 5 -5.695 6.552 -3.755 1.00 0.00 N ATOM 60 H ARG A 5 -0.775 3.638 -1.644 1.00 0.00 H ATOM 61 HA ARG A 5 -2.171 2.606 0.641 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.555 2.783 -2.326 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.642 1.732 -1.416 1.00 0.00 H ATOM 64 HG2 ARG A 5 -3.994 3.724 0.161 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.214 4.703 -1.083 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.433 2.883 -1.942 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.858 4.381 -1.087 1.00 0.00 H ATOM 68 HE ARG A 5 -3.860 4.751 -3.198 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.791 3.583 -3.845 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.485 5.023 -4.511 1.00 0.00 H ATOM 71 HH21 ARG A 5 -4.924 7.085 -3.407 1.00 0.00 H ATOM 72 HH22 ARG A 5 -6.429 7.006 -4.260 1.00 0.00 H ATOM 73 N GLN A 6 -0.748 0.420 -1.370 1.00 0.00 N ATOM 74 CA GLN A 6 -0.323 -1.004 -1.457 1.00 0.00 C ATOM 75 C GLN A 6 0.506 -1.371 -0.225 1.00 0.00 C ATOM 76 O GLN A 6 0.238 -2.346 0.448 1.00 0.00 O ATOM 77 CB GLN A 6 0.532 -1.089 -2.724 1.00 0.00 C ATOM 78 CG GLN A 6 -0.064 -2.123 -3.683 1.00 0.00 C ATOM 79 CD GLN A 6 0.630 -2.021 -5.043 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.135 -1.370 -5.943 1.00 0.00 O ATOM 81 NE2 GLN A 6 1.765 -2.636 -5.233 1.00 0.00 N ATOM 82 H GLN A 6 -0.466 1.057 -2.058 1.00 0.00 H ATOM 83 HA GLN A 6 -1.180 -1.651 -1.544 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.556 -0.122 -3.207 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.537 -1.384 -2.461 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.081 -3.115 -3.277 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.120 -1.933 -3.804 1.00 0.00 H ATOM 88 HE21 GLN A 6 2.167 -3.159 -4.508 1.00 0.00 H ATOM 89 HE22 GLN A 6 2.215 -2.577 -6.102 1.00 0.00 H ATOM 90 N LEU A 7 1.510 -0.592 0.080 1.00 0.00 N ATOM 91 CA LEU A 7 2.350 -0.900 1.274 1.00 0.00 C ATOM 92 C LEU A 7 1.511 -0.793 2.551 1.00 0.00 C ATOM 93 O LEU A 7 1.633 -1.598 3.457 1.00 0.00 O ATOM 94 CB LEU A 7 3.458 0.154 1.267 1.00 0.00 C ATOM 95 CG LEU A 7 4.823 -0.537 1.241 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.086 -1.097 -0.157 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.913 0.476 1.597 1.00 0.00 C ATOM 98 H LEU A 7 1.712 0.195 -0.477 1.00 0.00 H ATOM 99 HA LEU A 7 2.777 -1.886 1.187 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.354 0.779 0.391 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.382 0.763 2.155 1.00 0.00 H ATOM 102 HG LEU A 7 4.830 -1.344 1.959 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.557 -0.338 -0.765 1.00 0.00 H ATOM 104 HD12 LEU A 7 4.151 -1.391 -0.609 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.737 -1.956 -0.085 1.00 0.00 H ATOM 106 HD21 LEU A 7 6.657 0.000 2.220 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.475 1.305 2.131 1.00 0.00 H ATOM 108 HD23 LEU A 7 6.379 0.836 0.692 1.00 0.00 H ATOM 109 N GLU A 8 0.656 0.189 2.633 1.00 0.00 N ATOM 110 CA GLU A 8 -0.185 0.338 3.852 1.00 0.00 C ATOM 111 C GLU A 8 -1.195 -0.805 3.924 1.00 0.00 C ATOM 112 O GLU A 8 -1.665 -1.166 4.983 1.00 0.00 O ATOM 113 CB GLU A 8 -0.893 1.684 3.693 1.00 0.00 C ATOM 114 CG GLU A 8 -0.831 2.446 5.017 1.00 0.00 C ATOM 115 CD GLU A 8 -1.466 3.827 4.843 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.800 4.167 3.720 1.00 0.00 O ATOM 117 OE2 GLU A 8 -1.608 4.520 5.837 1.00 0.00 O ATOM 118 H GLU A 8 0.565 0.824 1.893 1.00 0.00 H ATOM 119 HA GLU A 8 0.433 0.346 4.735 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.404 2.259 2.921 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.925 1.520 3.422 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.368 1.894 5.775 1.00 0.00 H ATOM 123 HG3 GLU A 8 0.199 2.561 5.317 1.00 0.00 H ATOM 124 N GLU A 9 -1.515 -1.391 2.805 1.00 0.00 N ATOM 125 CA GLU A 9 -2.476 -2.529 2.820 1.00 0.00 C ATOM 126 C GLU A 9 -1.701 -3.832 2.968 1.00 0.00 C ATOM 127 O GLU A 9 -2.246 -4.861 3.313 1.00 0.00 O ATOM 128 CB GLU A 9 -3.196 -2.479 1.471 1.00 0.00 C ATOM 129 CG GLU A 9 -4.621 -1.962 1.672 1.00 0.00 C ATOM 130 CD GLU A 9 -5.473 -3.051 2.327 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.162 -4.216 2.132 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.421 -2.704 3.011 1.00 0.00 O ATOM 133 H GLU A 9 -1.109 -1.096 1.962 1.00 0.00 H ATOM 134 HA GLU A 9 -3.183 -2.415 3.627 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.663 -1.822 0.802 1.00 0.00 H ATOM 136 HB3 GLU A 9 -3.232 -3.472 1.048 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.601 -1.089 2.306 1.00 0.00 H ATOM 138 HG3 GLU A 9 -5.047 -1.702 0.715 1.00 0.00 H ATOM 139 N PHE A 10 -0.421 -3.786 2.718 1.00 0.00 N ATOM 140 CA PHE A 10 0.412 -5.008 2.851 1.00 0.00 C ATOM 141 C PHE A 10 0.919 -5.120 4.290 1.00 0.00 C ATOM 142 O PHE A 10 1.262 -6.188 4.757 1.00 0.00 O ATOM 143 CB PHE A 10 1.577 -4.799 1.883 1.00 0.00 C ATOM 144 CG PHE A 10 2.586 -5.909 2.054 1.00 0.00 C ATOM 145 CD1 PHE A 10 3.481 -5.881 3.130 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.628 -6.965 1.135 1.00 0.00 C ATOM 147 CE1 PHE A 10 4.417 -6.910 3.287 1.00 0.00 C ATOM 148 CE2 PHE A 10 3.564 -7.993 1.293 1.00 0.00 C ATOM 149 CZ PHE A 10 4.459 -7.966 2.369 1.00 0.00 C ATOM 150 H PHE A 10 -0.007 -2.939 2.451 1.00 0.00 H ATOM 151 HA PHE A 10 -0.150 -5.886 2.575 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.205 -4.804 0.868 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.049 -3.849 2.088 1.00 0.00 H ATOM 154 HD1 PHE A 10 3.449 -5.067 3.838 1.00 0.00 H ATOM 155 HD2 PHE A 10 1.938 -6.986 0.305 1.00 0.00 H ATOM 156 HE1 PHE A 10 5.107 -6.890 4.118 1.00 0.00 H ATOM 157 HE2 PHE A 10 3.596 -8.808 0.584 1.00 0.00 H ATOM 158 HZ PHE A 10 5.181 -8.759 2.490 1.00 0.00 H ATOM 159 N LEU A 11 0.963 -4.022 4.995 1.00 0.00 N ATOM 160 CA LEU A 11 1.444 -4.066 6.406 1.00 0.00 C ATOM 161 C LEU A 11 0.507 -4.932 7.256 1.00 0.00 C ATOM 162 O LEU A 11 0.933 -5.570 8.197 1.00 0.00 O ATOM 163 CB LEU A 11 1.416 -2.614 6.885 1.00 0.00 C ATOM 164 CG LEU A 11 2.721 -2.296 7.616 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.855 -2.160 6.599 1.00 0.00 C ATOM 166 CD2 LEU A 11 2.569 -0.983 8.387 1.00 0.00 C ATOM 167 H LEU A 11 0.677 -3.168 4.598 1.00 0.00 H ATOM 168 HA LEU A 11 2.451 -4.449 6.448 1.00 0.00 H ATOM 169 HB2 LEU A 11 1.308 -1.956 6.035 1.00 0.00 H ATOM 170 HB3 LEU A 11 0.585 -2.473 7.559 1.00 0.00 H ATOM 171 HG LEU A 11 2.951 -3.096 8.306 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.642 -1.340 5.929 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.941 -3.075 6.032 1.00 0.00 H ATOM 174 HD13 LEU A 11 4.785 -1.969 7.117 1.00 0.00 H ATOM 175 HD21 LEU A 11 3.505 -0.445 8.370 1.00 0.00 H ATOM 176 HD22 LEU A 11 2.294 -1.196 9.409 1.00 0.00 H ATOM 177 HD23 LEU A 11 1.800 -0.382 7.925 1.00 0.00 H HETATM 178 N NH2 A 12 -0.762 -4.980 6.958 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -1.108 -4.465 6.200 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -1.371 -5.531 7.494 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 19 HETATM 1 C ACE A 1 -0.292 5.609 -4.215 1.00 0.00 C HETATM 2 O ACE A 1 -0.524 5.114 -3.126 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.349 6.991 -4.343 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.092 7.661 -3.619 1.00 0.00 H HETATM 5 H2 ACE A 1 0.183 7.374 -5.338 1.00 0.00 H HETATM 6 H3 ACE A 1 1.412 6.913 -4.161 1.00 0.00 H ATOM 7 N LEU A 2 -0.566 4.971 -5.321 1.00 0.00 N ATOM 8 CA LEU A 2 -1.178 3.617 -5.259 1.00 0.00 C ATOM 9 C LEU A 2 -0.211 2.677 -4.551 1.00 0.00 C ATOM 10 O LEU A 2 -0.605 1.722 -3.912 1.00 0.00 O ATOM 11 CB LEU A 2 -1.394 3.204 -6.716 1.00 0.00 C ATOM 12 CG LEU A 2 -2.577 3.987 -7.292 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.237 4.468 -8.703 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.809 3.079 -7.348 1.00 0.00 C ATOM 15 H LEU A 2 -0.359 5.378 -6.186 1.00 0.00 H ATOM 16 HA LEU A 2 -2.121 3.652 -4.736 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.504 3.421 -7.289 1.00 0.00 H ATOM 18 HB3 LEU A 2 -1.607 2.147 -6.764 1.00 0.00 H ATOM 19 HG LEU A 2 -2.785 4.840 -6.661 1.00 0.00 H ATOM 20 HD11 LEU A 2 -1.493 5.249 -8.646 1.00 0.00 H ATOM 21 HD12 LEU A 2 -3.127 4.852 -9.176 1.00 0.00 H ATOM 22 HD13 LEU A 2 -1.849 3.642 -9.280 1.00 0.00 H ATOM 23 HD21 LEU A 2 -4.549 3.519 -7.999 1.00 0.00 H ATOM 24 HD22 LEU A 2 -4.221 2.970 -6.356 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.525 2.110 -7.728 1.00 0.00 H ATOM 26 N VAL A 3 1.058 2.966 -4.636 1.00 0.00 N ATOM 27 CA VAL A 3 2.058 2.114 -3.937 1.00 0.00 C ATOM 28 C VAL A 3 1.961 2.388 -2.438 1.00 0.00 C ATOM 29 O VAL A 3 2.212 1.528 -1.613 1.00 0.00 O ATOM 30 CB VAL A 3 3.415 2.557 -4.482 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.529 1.822 -3.736 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.495 2.225 -5.973 1.00 0.00 C ATOM 33 H VAL A 3 1.346 3.759 -5.138 1.00 0.00 H ATOM 34 HA VAL A 3 1.888 1.070 -4.150 1.00 0.00 H ATOM 35 HB VAL A 3 3.528 3.622 -4.342 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.393 1.733 -4.378 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.186 0.838 -3.454 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.795 2.378 -2.849 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.056 2.994 -6.484 1.00 0.00 H ATOM 40 HG22 VAL A 3 2.499 2.172 -6.384 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.989 1.274 -6.104 1.00 0.00 H ATOM 42 N GLY A 4 1.566 3.581 -2.082 1.00 0.00 N ATOM 43 CA GLY A 4 1.417 3.920 -0.643 1.00 0.00 C ATOM 44 C GLY A 4 0.220 3.150 -0.105 1.00 0.00 C ATOM 45 O GLY A 4 0.285 2.522 0.935 1.00 0.00 O ATOM 46 H GLY A 4 1.345 4.246 -2.767 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.311 3.636 -0.106 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.242 4.980 -0.532 1.00 0.00 H ATOM 49 N ARG A 5 -0.868 3.168 -0.825 1.00 0.00 N ATOM 50 CA ARG A 5 -2.062 2.405 -0.371 1.00 0.00 C ATOM 51 C ARG A 5 -1.682 0.929 -0.263 1.00 0.00 C ATOM 52 O ARG A 5 -1.975 0.263 0.710 1.00 0.00 O ATOM 53 CB ARG A 5 -3.112 2.611 -1.464 1.00 0.00 C ATOM 54 CG ARG A 5 -4.144 3.641 -0.999 1.00 0.00 C ATOM 55 CD ARG A 5 -5.481 3.370 -1.693 1.00 0.00 C ATOM 56 NE ARG A 5 -5.765 1.932 -1.430 1.00 0.00 N ATOM 57 CZ ARG A 5 -5.742 1.071 -2.411 1.00 0.00 C ATOM 58 NH1 ARG A 5 -4.993 1.292 -3.457 1.00 0.00 N ATOM 59 NH2 ARG A 5 -6.465 -0.013 -2.344 1.00 0.00 N ATOM 60 H ARG A 5 -0.888 3.664 -1.676 1.00 0.00 H ATOM 61 HA ARG A 5 -2.421 2.780 0.574 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.629 2.966 -2.363 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.607 1.675 -1.667 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.271 3.567 0.071 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.803 4.634 -1.254 1.00 0.00 H ATOM 66 HD2 ARG A 5 -6.257 3.994 -1.269 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.397 3.542 -2.754 1.00 0.00 H ATOM 68 HE ARG A 5 -5.965 1.631 -0.518 1.00 0.00 H ATOM 69 HH11 ARG A 5 -4.436 2.121 -3.508 1.00 0.00 H ATOM 70 HH12 ARG A 5 -4.976 0.631 -4.208 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.036 -0.184 -1.542 1.00 0.00 H ATOM 72 HH22 ARG A 5 -6.448 -0.673 -3.095 1.00 0.00 H ATOM 73 N GLN A 6 -1.006 0.424 -1.261 1.00 0.00 N ATOM 74 CA GLN A 6 -0.572 -0.998 -1.232 1.00 0.00 C ATOM 75 C GLN A 6 0.348 -1.220 -0.028 1.00 0.00 C ATOM 76 O GLN A 6 0.361 -2.276 0.574 1.00 0.00 O ATOM 77 CB GLN A 6 0.179 -1.196 -2.556 1.00 0.00 C ATOM 78 CG GLN A 6 1.166 -2.362 -2.437 1.00 0.00 C ATOM 79 CD GLN A 6 0.400 -3.676 -2.259 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.820 -4.539 -1.516 1.00 0.00 O ATOM 81 NE2 GLN A 6 -0.712 -3.867 -2.916 1.00 0.00 N ATOM 82 H GLN A 6 -0.769 0.991 -2.025 1.00 0.00 H ATOM 83 HA GLN A 6 -1.425 -1.656 -1.186 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.530 -1.405 -3.342 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.722 -0.294 -2.797 1.00 0.00 H ATOM 86 HG2 GLN A 6 1.768 -2.415 -3.332 1.00 0.00 H ATOM 87 HG3 GLN A 6 1.807 -2.204 -1.583 1.00 0.00 H ATOM 88 HE21 GLN A 6 -1.053 -3.175 -3.518 1.00 0.00 H ATOM 89 HE22 GLN A 6 -1.205 -4.708 -2.808 1.00 0.00 H ATOM 90 N LEU A 7 1.114 -0.223 0.329 1.00 0.00 N ATOM 91 CA LEU A 7 2.032 -0.361 1.498 1.00 0.00 C ATOM 92 C LEU A 7 1.223 -0.565 2.784 1.00 0.00 C ATOM 93 O LEU A 7 1.433 -1.514 3.517 1.00 0.00 O ATOM 94 CB LEU A 7 2.801 0.962 1.553 1.00 0.00 C ATOM 95 CG LEU A 7 4.284 0.688 1.814 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.963 0.271 0.510 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.948 1.962 2.348 1.00 0.00 C ATOM 98 H LEU A 7 1.085 0.621 -0.172 1.00 0.00 H ATOM 99 HA LEU A 7 2.713 -1.181 1.347 1.00 0.00 H ATOM 100 HB2 LEU A 7 2.691 1.480 0.611 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.405 1.575 2.349 1.00 0.00 H ATOM 102 HG LEU A 7 4.382 -0.105 2.543 1.00 0.00 H ATOM 103 HD11 LEU A 7 6.033 0.226 0.659 1.00 0.00 H ATOM 104 HD12 LEU A 7 4.737 0.991 -0.261 1.00 0.00 H ATOM 105 HD13 LEU A 7 4.602 -0.702 0.211 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.296 2.432 3.069 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.130 2.643 1.530 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.884 1.708 2.822 1.00 0.00 H ATOM 109 N GLU A 8 0.297 0.312 3.061 1.00 0.00 N ATOM 110 CA GLU A 8 -0.524 0.160 4.295 1.00 0.00 C ATOM 111 C GLU A 8 -1.395 -1.088 4.176 1.00 0.00 C ATOM 112 O GLU A 8 -1.844 -1.645 5.159 1.00 0.00 O ATOM 113 CB GLU A 8 -1.389 1.420 4.361 1.00 0.00 C ATOM 114 CG GLU A 8 -2.429 1.267 5.473 1.00 0.00 C ATOM 115 CD GLU A 8 -3.368 2.474 5.465 1.00 0.00 C ATOM 116 OE1 GLU A 8 -3.584 3.024 4.398 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.854 2.830 6.526 1.00 0.00 O ATOM 118 H GLU A 8 0.136 1.065 2.456 1.00 0.00 H ATOM 119 HA GLU A 8 0.110 0.098 5.167 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.762 2.275 4.567 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.892 1.560 3.416 1.00 0.00 H ATOM 122 HG2 GLU A 8 -3.000 0.365 5.309 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.929 1.208 6.429 1.00 0.00 H ATOM 124 N GLU A 9 -1.626 -1.537 2.974 1.00 0.00 N ATOM 125 CA GLU A 9 -2.459 -2.758 2.786 1.00 0.00 C ATOM 126 C GLU A 9 -1.559 -3.992 2.769 1.00 0.00 C ATOM 127 O GLU A 9 -2.011 -5.111 2.910 1.00 0.00 O ATOM 128 CB GLU A 9 -3.147 -2.572 1.433 1.00 0.00 C ATOM 129 CG GLU A 9 -4.657 -2.431 1.642 1.00 0.00 C ATOM 130 CD GLU A 9 -5.367 -3.666 1.083 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.382 -4.676 1.766 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.883 -3.579 -0.020 1.00 0.00 O ATOM 133 H GLU A 9 -1.243 -1.073 2.196 1.00 0.00 H ATOM 134 HA GLU A 9 -3.193 -2.839 3.570 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.765 -1.682 0.953 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.952 -3.431 0.808 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.867 -2.342 2.699 1.00 0.00 H ATOM 138 HG3 GLU A 9 -5.011 -1.551 1.128 1.00 0.00 H ATOM 139 N PHE A 10 -0.283 -3.789 2.599 1.00 0.00 N ATOM 140 CA PHE A 10 0.663 -4.939 2.575 1.00 0.00 C ATOM 141 C PHE A 10 1.356 -5.067 3.934 1.00 0.00 C ATOM 142 O PHE A 10 1.984 -6.064 4.231 1.00 0.00 O ATOM 143 CB PHE A 10 1.670 -4.588 1.477 1.00 0.00 C ATOM 144 CG PHE A 10 2.607 -5.750 1.238 1.00 0.00 C ATOM 145 CD1 PHE A 10 2.160 -7.066 1.411 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.926 -5.507 0.838 1.00 0.00 C ATOM 147 CE1 PHE A 10 3.033 -8.137 1.183 1.00 0.00 C ATOM 148 CE2 PHE A 10 4.798 -6.577 0.610 1.00 0.00 C ATOM 149 CZ PHE A 10 4.352 -7.893 0.783 1.00 0.00 C ATOM 150 H PHE A 10 0.057 -2.876 2.491 1.00 0.00 H ATOM 151 HA PHE A 10 0.142 -5.848 2.328 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.138 -4.365 0.563 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.241 -3.723 1.778 1.00 0.00 H ATOM 154 HD1 PHE A 10 1.144 -7.258 1.719 1.00 0.00 H ATOM 155 HD2 PHE A 10 4.271 -4.491 0.704 1.00 0.00 H ATOM 156 HE1 PHE A 10 2.689 -9.152 1.317 1.00 0.00 H ATOM 157 HE2 PHE A 10 5.816 -6.389 0.300 1.00 0.00 H ATOM 158 HZ PHE A 10 5.024 -8.719 0.607 1.00 0.00 H ATOM 159 N LEU A 11 1.240 -4.065 4.764 1.00 0.00 N ATOM 160 CA LEU A 11 1.889 -4.131 6.106 1.00 0.00 C ATOM 161 C LEU A 11 0.827 -4.083 7.208 1.00 0.00 C ATOM 162 O LEU A 11 1.002 -4.651 8.268 1.00 0.00 O ATOM 163 CB LEU A 11 2.790 -2.898 6.178 1.00 0.00 C ATOM 164 CG LEU A 11 4.234 -3.334 6.436 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.290 -4.193 7.701 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.739 -4.151 5.244 1.00 0.00 C ATOM 167 H LEU A 11 0.724 -3.269 4.505 1.00 0.00 H ATOM 168 HA LEU A 11 2.483 -5.026 6.195 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.737 -2.358 5.244 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.461 -2.258 6.984 1.00 0.00 H ATOM 171 HG LEU A 11 4.857 -2.461 6.567 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.581 -5.199 7.441 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.315 -4.210 8.169 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.012 -3.776 8.388 1.00 0.00 H ATOM 175 HD21 LEU A 11 4.373 -5.164 5.321 1.00 0.00 H ATOM 176 HD22 LEU A 11 5.820 -4.158 5.244 1.00 0.00 H ATOM 177 HD23 LEU A 11 4.382 -3.708 4.326 1.00 0.00 H HETATM 178 N NH2 A 12 -0.278 -3.422 6.999 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.421 -2.963 6.146 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.967 -3.384 7.696 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 20 HETATM 1 C ACE A 1 -0.514 5.790 -4.011 1.00 0.00 C HETATM 2 O ACE A 1 -0.854 5.218 -2.991 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.082 7.199 -3.975 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.626 7.901 -4.391 1.00 0.00 H HETATM 5 H2 ACE A 1 0.992 7.219 -4.556 1.00 0.00 H HETATM 6 H3 ACE A 1 0.301 7.471 -2.953 1.00 0.00 H ATOM 7 N LEU A 2 -0.630 5.217 -5.178 1.00 0.00 N ATOM 8 CA LEU A 2 -1.190 3.842 -5.275 1.00 0.00 C ATOM 9 C LEU A 2 -0.231 2.874 -4.594 1.00 0.00 C ATOM 10 O LEU A 2 -0.636 1.964 -3.898 1.00 0.00 O ATOM 11 CB LEU A 2 -1.291 3.552 -6.774 1.00 0.00 C ATOM 12 CG LEU A 2 -2.172 4.612 -7.437 1.00 0.00 C ATOM 13 CD1 LEU A 2 -1.296 5.572 -8.241 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.176 3.932 -8.373 1.00 0.00 C ATOM 15 H LEU A 2 -0.337 5.683 -5.987 1.00 0.00 H ATOM 16 HA LEU A 2 -2.164 3.797 -4.816 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.304 3.579 -7.212 1.00 0.00 H ATOM 18 HB3 LEU A 2 -1.728 2.576 -6.925 1.00 0.00 H ATOM 19 HG LEU A 2 -2.705 5.163 -6.676 1.00 0.00 H ATOM 20 HD11 LEU A 2 -1.476 5.426 -9.296 1.00 0.00 H ATOM 21 HD12 LEU A 2 -0.256 5.378 -8.023 1.00 0.00 H ATOM 22 HD13 LEU A 2 -1.537 6.589 -7.971 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.152 4.417 -9.338 1.00 0.00 H ATOM 24 HD22 LEU A 2 -4.168 4.012 -7.955 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.915 2.891 -8.486 1.00 0.00 H ATOM 26 N VAL A 3 1.043 3.085 -4.769 1.00 0.00 N ATOM 27 CA VAL A 3 2.036 2.196 -4.106 1.00 0.00 C ATOM 28 C VAL A 3 1.968 2.430 -2.598 1.00 0.00 C ATOM 29 O VAL A 3 2.237 1.552 -1.800 1.00 0.00 O ATOM 30 CB VAL A 3 3.396 2.622 -4.665 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.373 2.535 -6.192 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.692 4.062 -4.240 1.00 0.00 C ATOM 33 H VAL A 3 1.343 3.841 -5.318 1.00 0.00 H ATOM 34 HA VAL A 3 1.840 1.162 -4.342 1.00 0.00 H ATOM 35 HB VAL A 3 4.164 1.966 -4.279 1.00 0.00 H ATOM 36 HG11 VAL A 3 3.725 3.467 -6.610 1.00 0.00 H ATOM 37 HG12 VAL A 3 2.365 2.350 -6.528 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.015 1.730 -6.518 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.360 4.519 -4.957 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.155 4.063 -3.265 1.00 0.00 H ATOM 41 HG23 VAL A 3 2.769 4.622 -4.201 1.00 0.00 H ATOM 42 N GLY A 4 1.574 3.614 -2.207 1.00 0.00 N ATOM 43 CA GLY A 4 1.450 3.915 -0.757 1.00 0.00 C ATOM 44 C GLY A 4 0.302 3.081 -0.210 1.00 0.00 C ATOM 45 O GLY A 4 0.400 2.467 0.834 1.00 0.00 O ATOM 46 H GLY A 4 1.335 4.295 -2.870 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.370 3.656 -0.251 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.233 4.963 -0.617 1.00 0.00 H ATOM 49 N ARG A 5 -0.785 3.038 -0.928 1.00 0.00 N ATOM 50 CA ARG A 5 -1.943 2.222 -0.471 1.00 0.00 C ATOM 51 C ARG A 5 -1.525 0.751 -0.395 1.00 0.00 C ATOM 52 O ARG A 5 -1.867 0.043 0.530 1.00 0.00 O ATOM 53 CB ARG A 5 -3.021 2.421 -1.537 1.00 0.00 C ATOM 54 CG ARG A 5 -4.284 2.993 -0.888 1.00 0.00 C ATOM 55 CD ARG A 5 -5.498 2.679 -1.766 1.00 0.00 C ATOM 56 NE ARG A 5 -6.108 1.467 -1.154 1.00 0.00 N ATOM 57 CZ ARG A 5 -7.383 1.447 -0.878 1.00 0.00 C ATOM 58 NH1 ARG A 5 -8.252 1.806 -1.784 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.790 1.070 0.304 1.00 0.00 N ATOM 60 H ARG A 5 -0.833 3.533 -1.779 1.00 0.00 H ATOM 61 HA ARG A 5 -2.296 2.567 0.487 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.659 3.107 -2.291 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.254 1.473 -1.996 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.419 2.550 0.088 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.183 4.063 -0.787 1.00 0.00 H ATOM 66 HD2 ARG A 5 -6.196 3.505 -1.749 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.188 2.467 -2.777 1.00 0.00 H ATOM 68 HE ARG A 5 -5.552 0.683 -0.957 1.00 0.00 H ATOM 69 HH11 ARG A 5 -7.939 2.095 -2.690 1.00 0.00 H ATOM 70 HH12 ARG A 5 -9.230 1.791 -1.575 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.124 0.797 0.997 1.00 0.00 H ATOM 72 HH22 ARG A 5 -8.767 1.055 0.515 1.00 0.00 H ATOM 73 N GLN A 6 -0.776 0.293 -1.364 1.00 0.00 N ATOM 74 CA GLN A 6 -0.324 -1.129 -1.354 1.00 0.00 C ATOM 75 C GLN A 6 0.514 -1.406 -0.103 1.00 0.00 C ATOM 76 O GLN A 6 0.359 -2.422 0.545 1.00 0.00 O ATOM 77 CB GLN A 6 0.525 -1.285 -2.621 1.00 0.00 C ATOM 78 CG GLN A 6 1.423 -2.522 -2.497 1.00 0.00 C ATOM 79 CD GLN A 6 2.176 -2.744 -3.810 1.00 0.00 C ATOM 80 OE1 GLN A 6 2.032 -3.772 -4.440 1.00 0.00 O ATOM 81 NE2 GLN A 6 2.981 -1.817 -4.253 1.00 0.00 N ATOM 82 H GLN A 6 -0.507 0.886 -2.095 1.00 0.00 H ATOM 83 HA GLN A 6 -1.172 -1.794 -1.396 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.125 -1.396 -3.477 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.142 -0.408 -2.751 1.00 0.00 H ATOM 86 HG2 GLN A 6 2.131 -2.372 -1.695 1.00 0.00 H ATOM 87 HG3 GLN A 6 0.815 -3.388 -2.283 1.00 0.00 H ATOM 88 HE21 GLN A 6 3.097 -0.986 -3.747 1.00 0.00 H ATOM 89 HE22 GLN A 6 3.468 -1.952 -5.093 1.00 0.00 H ATOM 90 N LEU A 7 1.406 -0.515 0.239 1.00 0.00 N ATOM 91 CA LEU A 7 2.251 -0.741 1.449 1.00 0.00 C ATOM 92 C LEU A 7 1.388 -0.753 2.712 1.00 0.00 C ATOM 93 O LEU A 7 1.570 -1.572 3.590 1.00 0.00 O ATOM 94 CB LEU A 7 3.228 0.436 1.481 1.00 0.00 C ATOM 95 CG LEU A 7 4.529 0.008 2.165 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.208 -0.760 3.450 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.328 -0.893 1.220 1.00 0.00 C ATOM 98 H LEU A 7 1.524 0.299 -0.300 1.00 0.00 H ATOM 99 HA LEU A 7 2.795 -1.667 1.358 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.439 0.755 0.471 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.787 1.253 2.032 1.00 0.00 H ATOM 102 HG LEU A 7 5.113 0.885 2.407 1.00 0.00 H ATOM 103 HD11 LEU A 7 3.637 -0.128 4.113 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.129 -1.052 3.934 1.00 0.00 H ATOM 105 HD13 LEU A 7 3.633 -1.641 3.208 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.202 -1.925 1.514 1.00 0.00 H ATOM 107 HD22 LEU A 7 6.375 -0.630 1.271 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.973 -0.760 0.209 1.00 0.00 H ATOM 109 N GLU A 8 0.452 0.148 2.813 1.00 0.00 N ATOM 110 CA GLU A 8 -0.413 0.181 4.026 1.00 0.00 C ATOM 111 C GLU A 8 -1.377 -1.002 4.010 1.00 0.00 C ATOM 112 O GLU A 8 -1.906 -1.400 5.028 1.00 0.00 O ATOM 113 CB GLU A 8 -1.179 1.502 3.939 1.00 0.00 C ATOM 114 CG GLU A 8 -0.812 2.397 5.126 1.00 0.00 C ATOM 115 CD GLU A 8 -1.420 1.825 6.409 1.00 0.00 C ATOM 116 OE1 GLU A 8 -2.634 1.852 6.529 1.00 0.00 O ATOM 117 OE2 GLU A 8 -0.661 1.372 7.252 1.00 0.00 O ATOM 118 H GLU A 8 0.319 0.802 2.097 1.00 0.00 H ATOM 119 HA GLU A 8 0.193 0.157 4.917 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.923 2.004 3.018 1.00 0.00 H ATOM 121 HB3 GLU A 8 -2.240 1.303 3.958 1.00 0.00 H ATOM 122 HG2 GLU A 8 0.263 2.439 5.224 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.198 3.390 4.960 1.00 0.00 H ATOM 124 N GLU A 9 -1.603 -1.571 2.862 1.00 0.00 N ATOM 125 CA GLU A 9 -2.526 -2.737 2.785 1.00 0.00 C ATOM 126 C GLU A 9 -1.727 -4.024 2.975 1.00 0.00 C ATOM 127 O GLU A 9 -2.261 -5.057 3.330 1.00 0.00 O ATOM 128 CB GLU A 9 -3.134 -2.678 1.385 1.00 0.00 C ATOM 129 CG GLU A 9 -4.654 -2.817 1.484 1.00 0.00 C ATOM 130 CD GLU A 9 -5.309 -1.455 1.250 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.887 -0.501 1.883 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.222 -1.389 0.445 1.00 0.00 O ATOM 133 H GLU A 9 -1.159 -1.239 2.051 1.00 0.00 H ATOM 134 HA GLU A 9 -3.298 -2.658 3.532 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.889 -1.732 0.926 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.740 -3.482 0.784 1.00 0.00 H ATOM 137 HG2 GLU A 9 -5.000 -3.516 0.736 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.919 -3.179 2.466 1.00 0.00 H ATOM 139 N PHE A 10 -0.445 -3.958 2.756 1.00 0.00 N ATOM 140 CA PHE A 10 0.409 -5.163 2.938 1.00 0.00 C ATOM 141 C PHE A 10 1.141 -5.071 4.276 1.00 0.00 C ATOM 142 O PHE A 10 1.755 -6.016 4.730 1.00 0.00 O ATOM 143 CB PHE A 10 1.406 -5.123 1.780 1.00 0.00 C ATOM 144 CG PHE A 10 2.471 -6.170 1.999 1.00 0.00 C ATOM 145 CD1 PHE A 10 2.110 -7.461 2.402 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.819 -5.849 1.803 1.00 0.00 C ATOM 147 CE1 PHE A 10 3.098 -8.431 2.608 1.00 0.00 C ATOM 148 CE2 PHE A 10 4.807 -6.820 2.009 1.00 0.00 C ATOM 149 CZ PHE A 10 4.446 -8.111 2.412 1.00 0.00 C ATOM 150 H PHE A 10 -0.040 -3.105 2.485 1.00 0.00 H ATOM 151 HA PHE A 10 -0.184 -6.063 2.887 1.00 0.00 H ATOM 152 HB2 PHE A 10 0.889 -5.324 0.852 1.00 0.00 H ATOM 153 HB3 PHE A 10 1.867 -4.148 1.733 1.00 0.00 H ATOM 154 HD1 PHE A 10 1.070 -7.709 2.554 1.00 0.00 H ATOM 155 HD2 PHE A 10 4.098 -4.853 1.494 1.00 0.00 H ATOM 156 HE1 PHE A 10 2.818 -9.428 2.920 1.00 0.00 H ATOM 157 HE2 PHE A 10 5.847 -6.572 1.858 1.00 0.00 H ATOM 158 HZ PHE A 10 5.208 -8.860 2.573 1.00 0.00 H ATOM 159 N LEU A 11 1.083 -3.930 4.910 1.00 0.00 N ATOM 160 CA LEU A 11 1.780 -3.764 6.216 1.00 0.00 C ATOM 161 C LEU A 11 1.494 -2.377 6.795 1.00 0.00 C ATOM 162 O LEU A 11 2.386 -1.564 6.934 1.00 0.00 O ATOM 163 CB LEU A 11 3.264 -3.906 5.883 1.00 0.00 C ATOM 164 CG LEU A 11 3.812 -5.187 6.512 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.736 -5.892 5.516 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.598 -4.835 7.777 1.00 0.00 C ATOM 167 H LEU A 11 0.584 -3.179 4.522 1.00 0.00 H ATOM 168 HA LEU A 11 1.479 -4.536 6.907 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.388 -3.949 4.810 1.00 0.00 H ATOM 170 HB3 LEU A 11 3.803 -3.055 6.273 1.00 0.00 H ATOM 171 HG LEU A 11 2.991 -5.841 6.765 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.863 -5.271 4.642 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.299 -6.837 5.226 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.697 -6.066 5.978 1.00 0.00 H ATOM 175 HD21 LEU A 11 4.172 -3.953 8.232 1.00 0.00 H ATOM 176 HD22 LEU A 11 5.629 -4.644 7.517 1.00 0.00 H ATOM 177 HD23 LEU A 11 4.549 -5.659 8.473 1.00 0.00 H HETATM 178 N NH2 A 12 0.274 -2.065 7.135 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.449 -2.717 7.024 1.00 0.00 H HETATM 180 HN2 NH2 A 12 0.079 -1.175 7.499 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 21 HETATM 1 C ACE A 1 -0.622 5.559 -4.100 1.00 0.00 C HETATM 2 O ACE A 1 -1.126 5.095 -3.097 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.093 6.995 -4.130 1.00 0.00 C HETATM 4 H1 ACE A 1 0.987 6.980 -4.157 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.424 7.518 -3.246 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.469 7.500 -5.008 1.00 0.00 H ATOM 7 N LEU A 2 -0.507 4.849 -5.190 1.00 0.00 N ATOM 8 CA LEU A 2 -1.000 3.444 -5.213 1.00 0.00 C ATOM 9 C LEU A 2 -0.029 2.547 -4.454 1.00 0.00 C ATOM 10 O LEU A 2 -0.428 1.668 -3.717 1.00 0.00 O ATOM 11 CB LEU A 2 -1.045 3.054 -6.690 1.00 0.00 C ATOM 12 CG LEU A 2 -2.498 2.881 -7.131 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.587 3.021 -8.651 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.995 1.494 -6.715 1.00 0.00 C ATOM 15 H LEU A 2 -0.092 5.237 -5.989 1.00 0.00 H ATOM 16 HA LEU A 2 -1.987 3.383 -4.781 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.577 3.827 -7.280 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.516 2.123 -6.831 1.00 0.00 H ATOM 19 HG LEU A 2 -3.108 3.640 -6.663 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.599 4.068 -8.916 1.00 0.00 H ATOM 21 HD12 LEU A 2 -3.492 2.550 -9.005 1.00 0.00 H ATOM 22 HD13 LEU A 2 -1.731 2.545 -9.107 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.943 1.590 -6.207 1.00 0.00 H ATOM 24 HD22 LEU A 2 -2.275 1.038 -6.050 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.118 0.876 -7.591 1.00 0.00 H ATOM 26 N VAL A 3 1.244 2.767 -4.616 1.00 0.00 N ATOM 27 CA VAL A 3 2.233 1.931 -3.884 1.00 0.00 C ATOM 28 C VAL A 3 2.185 2.297 -2.402 1.00 0.00 C ATOM 29 O VAL A 3 2.514 1.506 -1.540 1.00 0.00 O ATOM 30 CB VAL A 3 3.591 2.281 -4.492 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.529 2.118 -6.013 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.949 3.728 -4.149 1.00 0.00 C ATOM 33 H VAL A 3 1.548 3.488 -5.207 1.00 0.00 H ATOM 34 HA VAL A 3 2.019 0.883 -4.026 1.00 0.00 H ATOM 35 HB VAL A 3 4.343 1.617 -4.091 1.00 0.00 H ATOM 36 HG11 VAL A 3 3.160 1.132 -6.255 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.518 2.245 -6.430 1.00 0.00 H ATOM 38 HG13 VAL A 3 2.866 2.862 -6.428 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.632 4.115 -4.890 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.417 3.761 -3.175 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.051 4.327 -4.137 1.00 0.00 H ATOM 42 N GLY A 4 1.748 3.492 -2.102 1.00 0.00 N ATOM 43 CA GLY A 4 1.646 3.913 -0.680 1.00 0.00 C ATOM 44 C GLY A 4 0.435 3.219 -0.075 1.00 0.00 C ATOM 45 O GLY A 4 0.528 2.543 0.931 1.00 0.00 O ATOM 46 H GLY A 4 1.464 4.103 -2.814 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.543 3.626 -0.149 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.514 4.982 -0.625 1.00 0.00 H ATOM 49 N ARG A 5 -0.701 3.359 -0.700 1.00 0.00 N ATOM 50 CA ARG A 5 -1.921 2.681 -0.183 1.00 0.00 C ATOM 51 C ARG A 5 -1.664 1.176 -0.155 1.00 0.00 C ATOM 52 O ARG A 5 -1.945 0.498 0.815 1.00 0.00 O ATOM 53 CB ARG A 5 -3.023 3.032 -1.186 1.00 0.00 C ATOM 54 CG ARG A 5 -4.294 2.248 -0.853 1.00 0.00 C ATOM 55 CD ARG A 5 -5.327 3.192 -0.231 1.00 0.00 C ATOM 56 NE ARG A 5 -6.647 2.676 -0.689 1.00 0.00 N ATOM 57 CZ ARG A 5 -7.335 3.333 -1.583 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.999 3.270 -2.842 1.00 0.00 N ATOM 59 NH2 ARG A 5 -8.361 4.051 -1.219 1.00 0.00 N ATOM 60 H ARG A 5 -0.743 3.892 -1.526 1.00 0.00 H ATOM 61 HA ARG A 5 -2.174 3.047 0.800 1.00 0.00 H ATOM 62 HB2 ARG A 5 -3.231 4.092 -1.134 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.696 2.779 -2.182 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.698 1.817 -1.758 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.061 1.460 -0.152 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.261 3.161 0.847 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.180 4.199 -0.590 1.00 0.00 H ATOM 68 HE ARG A 5 -7.001 1.840 -0.318 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.214 2.719 -3.122 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.526 3.774 -3.526 1.00 0.00 H ATOM 71 HH21 ARG A 5 -8.623 4.099 -0.255 1.00 0.00 H ATOM 72 HH22 ARG A 5 -8.888 4.554 -1.905 1.00 0.00 H ATOM 73 N GLN A 6 -1.099 0.655 -1.211 1.00 0.00 N ATOM 74 CA GLN A 6 -0.787 -0.797 -1.253 1.00 0.00 C ATOM 75 C GLN A 6 0.149 -1.133 -0.093 1.00 0.00 C ATOM 76 O GLN A 6 0.020 -2.155 0.550 1.00 0.00 O ATOM 77 CB GLN A 6 -0.088 -1.013 -2.597 1.00 0.00 C ATOM 78 CG GLN A 6 0.264 -2.491 -2.765 1.00 0.00 C ATOM 79 CD GLN A 6 -0.976 -3.345 -2.499 1.00 0.00 C ATOM 80 OE1 GLN A 6 -1.291 -3.643 -1.364 1.00 0.00 O ATOM 81 NE2 GLN A 6 -1.701 -3.757 -3.505 1.00 0.00 N ATOM 82 H GLN A 6 -0.864 1.227 -1.969 1.00 0.00 H ATOM 83 HA GLN A 6 -1.690 -1.385 -1.199 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.746 -0.705 -3.396 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.816 -0.424 -2.630 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.613 -2.664 -3.774 1.00 0.00 H ATOM 87 HG3 GLN A 6 1.041 -2.760 -2.064 1.00 0.00 H ATOM 88 HE21 GLN A 6 -1.449 -3.518 -4.421 1.00 0.00 H ATOM 89 HE22 GLN A 6 -2.496 -4.307 -3.343 1.00 0.00 H ATOM 90 N LEU A 7 1.084 -0.264 0.187 1.00 0.00 N ATOM 91 CA LEU A 7 2.018 -0.520 1.317 1.00 0.00 C ATOM 92 C LEU A 7 1.215 -0.684 2.607 1.00 0.00 C ATOM 93 O LEU A 7 1.416 -1.614 3.362 1.00 0.00 O ATOM 94 CB LEU A 7 2.909 0.722 1.388 1.00 0.00 C ATOM 95 CG LEU A 7 4.305 0.377 0.867 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.017 -0.524 1.877 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.179 -0.355 -0.471 1.00 0.00 C ATOM 98 H LEU A 7 1.163 0.560 -0.341 1.00 0.00 H ATOM 99 HA LEU A 7 2.613 -1.397 1.126 1.00 0.00 H ATOM 100 HB2 LEU A 7 2.483 1.508 0.782 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.983 1.056 2.412 1.00 0.00 H ATOM 102 HG LEU A 7 4.873 1.286 0.732 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.812 -0.173 2.880 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.081 -0.496 1.698 1.00 0.00 H ATOM 105 HD13 LEU A 7 4.660 -1.537 1.771 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.588 -1.350 -0.377 1.00 0.00 H ATOM 107 HD22 LEU A 7 4.723 0.188 -1.230 1.00 0.00 H ATOM 108 HD23 LEU A 7 3.138 -0.419 -0.749 1.00 0.00 H ATOM 109 N GLU A 8 0.290 0.205 2.855 1.00 0.00 N ATOM 110 CA GLU A 8 -0.542 0.086 4.084 1.00 0.00 C ATOM 111 C GLU A 8 -1.384 -1.184 3.989 1.00 0.00 C ATOM 112 O GLU A 8 -1.780 -1.764 4.981 1.00 0.00 O ATOM 113 CB GLU A 8 -1.434 1.328 4.083 1.00 0.00 C ATOM 114 CG GLU A 8 -1.376 1.999 5.457 1.00 0.00 C ATOM 115 CD GLU A 8 -2.741 2.605 5.790 1.00 0.00 C ATOM 116 OE1 GLU A 8 -3.016 3.695 5.317 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.489 1.968 6.515 1.00 0.00 O ATOM 118 H GLU A 8 0.132 0.937 2.225 1.00 0.00 H ATOM 119 HA GLU A 8 0.079 0.069 4.966 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.088 2.019 3.328 1.00 0.00 H ATOM 121 HB3 GLU A 8 -2.451 1.040 3.868 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.118 1.262 6.204 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.632 2.780 5.446 1.00 0.00 H ATOM 124 N GLU A 9 -1.646 -1.624 2.788 1.00 0.00 N ATOM 125 CA GLU A 9 -2.448 -2.865 2.602 1.00 0.00 C ATOM 126 C GLU A 9 -1.528 -4.082 2.714 1.00 0.00 C ATOM 127 O GLU A 9 -1.964 -5.193 2.946 1.00 0.00 O ATOM 128 CB GLU A 9 -3.030 -2.753 1.192 1.00 0.00 C ATOM 129 CG GLU A 9 -4.330 -3.557 1.109 1.00 0.00 C ATOM 130 CD GLU A 9 -4.490 -4.120 -0.304 1.00 0.00 C ATOM 131 OE1 GLU A 9 -3.722 -4.998 -0.660 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.380 -3.666 -1.005 1.00 0.00 O ATOM 133 H GLU A 9 -1.302 -1.140 2.005 1.00 0.00 H ATOM 134 HA GLU A 9 -3.241 -2.919 3.332 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.234 -1.715 0.969 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.322 -3.143 0.477 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.296 -4.370 1.819 1.00 0.00 H ATOM 138 HG3 GLU A 9 -5.167 -2.914 1.335 1.00 0.00 H ATOM 139 N PHE A 10 -0.250 -3.868 2.559 1.00 0.00 N ATOM 140 CA PHE A 10 0.722 -4.994 2.663 1.00 0.00 C ATOM 141 C PHE A 10 1.380 -4.983 4.043 1.00 0.00 C ATOM 142 O PHE A 10 2.081 -5.903 4.418 1.00 0.00 O ATOM 143 CB PHE A 10 1.762 -4.714 1.577 1.00 0.00 C ATOM 144 CG PHE A 10 2.127 -6.003 0.882 1.00 0.00 C ATOM 145 CD1 PHE A 10 2.389 -7.155 1.633 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.204 -6.045 -0.515 1.00 0.00 C ATOM 147 CE1 PHE A 10 2.728 -8.349 0.987 1.00 0.00 C ATOM 148 CE2 PHE A 10 2.543 -7.240 -1.162 1.00 0.00 C ATOM 149 CZ PHE A 10 2.805 -8.391 -0.410 1.00 0.00 C ATOM 150 H PHE A 10 0.074 -2.961 2.381 1.00 0.00 H ATOM 151 HA PHE A 10 0.234 -5.937 2.477 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.355 -4.020 0.858 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.645 -4.288 2.028 1.00 0.00 H ATOM 154 HD1 PHE A 10 2.329 -7.121 2.711 1.00 0.00 H ATOM 155 HD2 PHE A 10 2.003 -5.156 -1.094 1.00 0.00 H ATOM 156 HE1 PHE A 10 2.931 -9.238 1.567 1.00 0.00 H ATOM 157 HE2 PHE A 10 2.603 -7.274 -2.240 1.00 0.00 H ATOM 158 HZ PHE A 10 3.065 -9.313 -0.909 1.00 0.00 H ATOM 159 N LEU A 11 1.166 -3.939 4.799 1.00 0.00 N ATOM 160 CA LEU A 11 1.785 -3.854 6.153 1.00 0.00 C ATOM 161 C LEU A 11 0.911 -3.004 7.080 1.00 0.00 C ATOM 162 O LEU A 11 0.279 -2.061 6.649 1.00 0.00 O ATOM 163 CB LEU A 11 3.135 -3.175 5.916 1.00 0.00 C ATOM 164 CG LEU A 11 4.151 -3.660 6.952 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.286 -5.181 6.868 1.00 0.00 C ATOM 166 CD2 LEU A 11 5.509 -3.015 6.669 1.00 0.00 C ATOM 167 H LEU A 11 0.602 -3.206 4.472 1.00 0.00 H ATOM 168 HA LEU A 11 1.933 -4.838 6.566 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.489 -3.416 4.924 1.00 0.00 H ATOM 170 HB3 LEU A 11 3.018 -2.104 6.005 1.00 0.00 H ATOM 171 HG LEU A 11 3.818 -3.382 7.940 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.779 -5.540 5.985 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.842 -5.630 7.746 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.331 -5.448 6.818 1.00 0.00 H ATOM 175 HD21 LEU A 11 5.549 -2.040 7.132 1.00 0.00 H ATOM 176 HD22 LEU A 11 5.644 -2.913 5.601 1.00 0.00 H ATOM 177 HD23 LEU A 11 6.295 -3.637 7.072 1.00 0.00 H HETATM 178 N NH2 A 12 0.850 -3.299 8.349 1.00 0.00 N HETATM 179 HN1 NH2 A 12 1.358 -4.059 8.700 1.00 0.00 H HETATM 180 HN2 NH2 A 12 0.296 -2.759 8.952 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 22 HETATM 1 C ACE A 1 -0.963 5.477 -4.108 1.00 0.00 C HETATM 2 O ACE A 1 -1.524 4.915 -3.187 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.642 6.973 -4.049 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.842 7.345 -3.056 1.00 0.00 H HETATM 5 H2 ACE A 1 -1.255 7.501 -4.764 1.00 0.00 H HETATM 6 H3 ACE A 1 0.401 7.125 -4.287 1.00 0.00 H ATOM 7 N LEU A 2 -0.605 4.825 -5.181 1.00 0.00 N ATOM 8 CA LEU A 2 -0.884 3.367 -5.296 1.00 0.00 C ATOM 9 C LEU A 2 0.158 2.580 -4.502 1.00 0.00 C ATOM 10 O LEU A 2 -0.168 1.697 -3.734 1.00 0.00 O ATOM 11 CB LEU A 2 -0.783 3.071 -6.795 1.00 0.00 C ATOM 12 CG LEU A 2 -0.711 1.562 -7.032 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.043 1.072 -7.601 1.00 0.00 C ATOM 14 CD2 LEU A 2 0.409 1.261 -8.030 1.00 0.00 C ATOM 15 H LEU A 2 -0.146 5.295 -5.908 1.00 0.00 H ATOM 16 HA LEU A 2 -1.876 3.144 -4.939 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.652 3.471 -7.298 1.00 0.00 H ATOM 18 HB3 LEU A 2 0.106 3.537 -7.193 1.00 0.00 H ATOM 19 HG LEU A 2 -0.512 1.055 -6.100 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.067 1.254 -8.666 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.855 1.602 -7.126 1.00 0.00 H ATOM 22 HD13 LEU A 2 -2.146 0.013 -7.416 1.00 0.00 H ATOM 23 HD21 LEU A 2 1.366 1.459 -7.567 1.00 0.00 H ATOM 24 HD22 LEU A 2 0.293 1.890 -8.900 1.00 0.00 H ATOM 25 HD23 LEU A 2 0.360 0.223 -8.325 1.00 0.00 H ATOM 26 N VAL A 3 1.410 2.904 -4.664 1.00 0.00 N ATOM 27 CA VAL A 3 2.460 2.180 -3.895 1.00 0.00 C ATOM 28 C VAL A 3 2.286 2.483 -2.409 1.00 0.00 C ATOM 29 O VAL A 3 2.652 1.700 -1.552 1.00 0.00 O ATOM 30 CB VAL A 3 3.792 2.728 -4.407 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.836 2.621 -5.932 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.938 4.195 -3.996 1.00 0.00 C ATOM 33 H VAL A 3 1.656 3.630 -5.274 1.00 0.00 H ATOM 34 HA VAL A 3 2.399 1.118 -4.077 1.00 0.00 H ATOM 35 HB VAL A 3 4.604 2.153 -3.984 1.00 0.00 H ATOM 36 HG11 VAL A 3 3.252 1.771 -6.249 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.859 2.495 -6.254 1.00 0.00 H ATOM 38 HG13 VAL A 3 3.429 3.521 -6.367 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.128 4.771 -4.420 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.880 4.578 -4.359 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.909 4.272 -2.919 1.00 0.00 H ATOM 42 N GLY A 4 1.708 3.612 -2.102 1.00 0.00 N ATOM 43 CA GLY A 4 1.489 3.972 -0.676 1.00 0.00 C ATOM 44 C GLY A 4 0.300 3.173 -0.156 1.00 0.00 C ATOM 45 O GLY A 4 0.376 2.509 0.859 1.00 0.00 O ATOM 46 H GLY A 4 1.404 4.215 -2.814 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.371 3.732 -0.101 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.276 5.026 -0.595 1.00 0.00 H ATOM 49 N ARG A 5 -0.797 3.219 -0.859 1.00 0.00 N ATOM 50 CA ARG A 5 -1.992 2.446 -0.420 1.00 0.00 C ATOM 51 C ARG A 5 -1.613 0.972 -0.290 1.00 0.00 C ATOM 52 O ARG A 5 -1.914 0.329 0.694 1.00 0.00 O ATOM 53 CB ARG A 5 -3.027 2.658 -1.537 1.00 0.00 C ATOM 54 CG ARG A 5 -4.084 1.540 -1.525 1.00 0.00 C ATOM 55 CD ARG A 5 -5.320 2.005 -0.751 1.00 0.00 C ATOM 56 NE ARG A 5 -6.193 2.648 -1.773 1.00 0.00 N ATOM 57 CZ ARG A 5 -7.144 1.962 -2.349 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.851 1.074 -3.263 1.00 0.00 N ATOM 59 NH2 ARG A 5 -8.390 2.165 -2.016 1.00 0.00 N ATOM 60 H ARG A 5 -0.828 3.751 -1.684 1.00 0.00 H ATOM 61 HA ARG A 5 -2.367 2.828 0.516 1.00 0.00 H ATOM 62 HB2 ARG A 5 -3.515 3.610 -1.391 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.522 2.662 -2.492 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.367 1.309 -2.541 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.686 0.656 -1.060 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.822 1.156 -0.303 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.045 2.722 0.005 1.00 0.00 H ATOM 68 HE ARG A 5 -6.054 3.587 -2.013 1.00 0.00 H ATOM 69 HH11 ARG A 5 -5.898 0.919 -3.522 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.581 0.550 -3.703 1.00 0.00 H ATOM 71 HH21 ARG A 5 -8.615 2.847 -1.319 1.00 0.00 H ATOM 72 HH22 ARG A 5 -9.118 1.642 -2.456 1.00 0.00 H ATOM 73 N GLN A 6 -0.958 0.433 -1.281 1.00 0.00 N ATOM 74 CA GLN A 6 -0.562 -1.002 -1.222 1.00 0.00 C ATOM 75 C GLN A 6 0.400 -1.240 -0.056 1.00 0.00 C ATOM 76 O GLN A 6 0.259 -2.188 0.688 1.00 0.00 O ATOM 77 CB GLN A 6 0.124 -1.280 -2.558 1.00 0.00 C ATOM 78 CG GLN A 6 -0.688 -2.319 -3.333 1.00 0.00 C ATOM 79 CD GLN A 6 -1.943 -1.661 -3.906 1.00 0.00 C ATOM 80 OE1 GLN A 6 -2.825 -1.261 -3.172 1.00 0.00 O ATOM 81 NE2 GLN A 6 -2.063 -1.533 -5.199 1.00 0.00 N ATOM 82 H GLN A 6 -0.727 0.972 -2.067 1.00 0.00 H ATOM 83 HA GLN A 6 -1.436 -1.627 -1.121 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.180 -0.365 -3.131 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.119 -1.659 -2.383 1.00 0.00 H ATOM 86 HG2 GLN A 6 -0.088 -2.718 -4.138 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.976 -3.120 -2.667 1.00 0.00 H ATOM 88 HE21 GLN A 6 -1.353 -1.856 -5.792 1.00 0.00 H ATOM 89 HE22 GLN A 6 -2.861 -1.108 -5.578 1.00 0.00 H ATOM 90 N LEU A 7 1.374 -0.388 0.115 1.00 0.00 N ATOM 91 CA LEU A 7 2.333 -0.578 1.242 1.00 0.00 C ATOM 92 C LEU A 7 1.570 -0.702 2.568 1.00 0.00 C ATOM 93 O LEU A 7 1.659 -1.698 3.264 1.00 0.00 O ATOM 94 CB LEU A 7 3.198 0.683 1.238 1.00 0.00 C ATOM 95 CG LEU A 7 4.158 0.650 2.428 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.563 0.296 1.938 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.185 2.024 3.104 1.00 0.00 C ATOM 98 H LEU A 7 1.475 0.376 -0.494 1.00 0.00 H ATOM 99 HA LEU A 7 2.944 -1.448 1.076 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.764 0.730 0.318 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.565 1.554 1.315 1.00 0.00 H ATOM 102 HG LEU A 7 3.827 -0.095 3.135 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.513 -0.043 0.914 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.973 -0.488 2.557 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.196 1.170 1.997 1.00 0.00 H ATOM 106 HD21 LEU A 7 3.430 2.657 2.662 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.157 2.474 2.968 1.00 0.00 H ATOM 108 HD23 LEU A 7 3.985 1.910 4.159 1.00 0.00 H ATOM 109 N GLU A 8 0.815 0.303 2.916 1.00 0.00 N ATOM 110 CA GLU A 8 0.040 0.250 4.188 1.00 0.00 C ATOM 111 C GLU A 8 -1.029 -0.835 4.091 1.00 0.00 C ATOM 112 O GLU A 8 -1.546 -1.304 5.086 1.00 0.00 O ATOM 113 CB GLU A 8 -0.604 1.630 4.324 1.00 0.00 C ATOM 114 CG GLU A 8 0.393 2.601 4.958 1.00 0.00 C ATOM 115 CD GLU A 8 -0.144 3.078 6.309 1.00 0.00 C ATOM 116 OE1 GLU A 8 -0.802 2.293 6.973 1.00 0.00 O ATOM 117 OE2 GLU A 8 0.111 4.220 6.657 1.00 0.00 O ATOM 118 H GLU A 8 0.749 1.087 2.336 1.00 0.00 H ATOM 119 HA GLU A 8 0.696 0.063 5.024 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.889 1.993 3.347 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.480 1.559 4.951 1.00 0.00 H ATOM 122 HG2 GLU A 8 1.339 2.100 5.103 1.00 0.00 H ATOM 123 HG3 GLU A 8 0.530 3.451 4.307 1.00 0.00 H ATOM 124 N GLU A 9 -1.354 -1.241 2.897 1.00 0.00 N ATOM 125 CA GLU A 9 -2.382 -2.306 2.733 1.00 0.00 C ATOM 126 C GLU A 9 -1.718 -3.674 2.801 1.00 0.00 C ATOM 127 O GLU A 9 -2.354 -4.679 3.048 1.00 0.00 O ATOM 128 CB GLU A 9 -2.996 -2.073 1.353 1.00 0.00 C ATOM 129 CG GLU A 9 -4.114 -1.035 1.460 1.00 0.00 C ATOM 130 CD GLU A 9 -5.314 -1.658 2.176 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.133 -2.690 2.802 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.392 -1.097 2.083 1.00 0.00 O ATOM 133 H GLU A 9 -0.914 -0.852 2.110 1.00 0.00 H ATOM 134 HA GLU A 9 -3.136 -2.217 3.496 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.235 -1.722 0.674 1.00 0.00 H ATOM 136 HB3 GLU A 9 -3.406 -3.001 0.984 1.00 0.00 H ATOM 137 HG2 GLU A 9 -3.761 -0.182 2.023 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.409 -0.718 0.472 1.00 0.00 H ATOM 139 N PHE A 10 -0.435 -3.714 2.596 1.00 0.00 N ATOM 140 CA PHE A 10 0.288 -5.010 2.660 1.00 0.00 C ATOM 141 C PHE A 10 0.827 -5.214 4.073 1.00 0.00 C ATOM 142 O PHE A 10 1.130 -6.316 4.486 1.00 0.00 O ATOM 143 CB PHE A 10 1.435 -4.870 1.661 1.00 0.00 C ATOM 144 CG PHE A 10 2.066 -6.220 1.431 1.00 0.00 C ATOM 145 CD1 PHE A 10 3.053 -6.689 2.306 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.667 -7.000 0.341 1.00 0.00 C ATOM 147 CE1 PHE A 10 3.641 -7.940 2.090 1.00 0.00 C ATOM 148 CE2 PHE A 10 2.255 -8.252 0.126 1.00 0.00 C ATOM 149 CZ PHE A 10 3.242 -8.722 1.000 1.00 0.00 C ATOM 150 H PHE A 10 0.057 -2.886 2.410 1.00 0.00 H ATOM 151 HA PHE A 10 -0.360 -5.823 2.374 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.053 -4.485 0.726 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.175 -4.189 2.055 1.00 0.00 H ATOM 154 HD1 PHE A 10 3.360 -6.084 3.148 1.00 0.00 H ATOM 155 HD2 PHE A 10 0.905 -6.638 -0.333 1.00 0.00 H ATOM 156 HE1 PHE A 10 4.402 -8.303 2.766 1.00 0.00 H ATOM 157 HE2 PHE A 10 1.948 -8.855 -0.716 1.00 0.00 H ATOM 158 HZ PHE A 10 3.697 -9.687 0.833 1.00 0.00 H ATOM 159 N LEU A 11 0.946 -4.151 4.818 1.00 0.00 N ATOM 160 CA LEU A 11 1.465 -4.271 6.210 1.00 0.00 C ATOM 161 C LEU A 11 0.411 -3.786 7.207 1.00 0.00 C ATOM 162 O LEU A 11 0.232 -2.599 7.398 1.00 0.00 O ATOM 163 CB LEU A 11 2.697 -3.372 6.250 1.00 0.00 C ATOM 164 CG LEU A 11 3.806 -4.060 7.047 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.157 -3.777 6.386 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.812 -3.517 8.477 1.00 0.00 C ATOM 167 H LEU A 11 0.691 -3.267 4.460 1.00 0.00 H ATOM 168 HA LEU A 11 1.744 -5.291 6.421 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.038 -3.184 5.243 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.442 -2.436 6.725 1.00 0.00 H ATOM 171 HG LEU A 11 3.630 -5.125 7.063 1.00 0.00 H ATOM 172 HD11 LEU A 11 5.758 -3.166 7.043 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.999 -3.255 5.454 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.668 -4.708 6.194 1.00 0.00 H ATOM 175 HD21 LEU A 11 3.645 -4.327 9.170 1.00 0.00 H ATOM 176 HD22 LEU A 11 3.028 -2.782 8.586 1.00 0.00 H ATOM 177 HD23 LEU A 11 4.767 -3.057 8.683 1.00 0.00 H HETATM 178 N NH2 A 12 -0.303 -4.663 7.857 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.161 -5.621 7.705 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.983 -4.365 8.497 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 23 HETATM 1 C ACE A 1 -0.526 5.739 -4.079 1.00 0.00 C HETATM 2 O ACE A 1 -0.910 5.176 -3.071 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.010 7.180 -4.038 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.507 7.717 -3.244 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.215 7.663 -4.982 1.00 0.00 H HETATM 6 H3 ACE A 1 1.055 7.176 -3.859 1.00 0.00 H ATOM 7 N LEU A 2 -0.530 5.135 -5.236 1.00 0.00 N ATOM 8 CA LEU A 2 -1.014 3.732 -5.338 1.00 0.00 C ATOM 9 C LEU A 2 -0.052 2.810 -4.596 1.00 0.00 C ATOM 10 O LEU A 2 -0.455 1.872 -3.938 1.00 0.00 O ATOM 11 CB LEU A 2 -1.022 3.421 -6.835 1.00 0.00 C ATOM 12 CG LEU A 2 -2.394 3.761 -7.420 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.336 5.131 -8.098 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.783 2.699 -8.450 1.00 0.00 C ATOM 15 H LEU A 2 -0.207 5.600 -6.034 1.00 0.00 H ATOM 16 HA LEU A 2 -2.011 3.645 -4.934 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.264 4.012 -7.328 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.817 2.373 -6.987 1.00 0.00 H ATOM 19 HG LEU A 2 -3.128 3.782 -6.627 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.236 5.286 -8.673 1.00 0.00 H ATOM 21 HD12 LEU A 2 -1.478 5.172 -8.753 1.00 0.00 H ATOM 22 HD13 LEU A 2 -2.251 5.901 -7.346 1.00 0.00 H ATOM 23 HD21 LEU A 2 -2.158 1.828 -8.324 1.00 0.00 H ATOM 24 HD22 LEU A 2 -2.648 3.097 -9.445 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.817 2.424 -8.311 1.00 0.00 H ATOM 26 N VAL A 3 1.219 3.083 -4.685 1.00 0.00 N ATOM 27 CA VAL A 3 2.210 2.235 -3.968 1.00 0.00 C ATOM 28 C VAL A 3 2.063 2.464 -2.462 1.00 0.00 C ATOM 29 O VAL A 3 2.379 1.609 -1.656 1.00 0.00 O ATOM 30 CB VAL A 3 3.580 2.700 -4.478 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.656 2.425 -3.423 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.929 1.936 -5.758 1.00 0.00 C ATOM 33 H VAL A 3 1.518 3.857 -5.212 1.00 0.00 H ATOM 34 HA VAL A 3 2.058 1.194 -4.208 1.00 0.00 H ATOM 35 HB VAL A 3 3.545 3.759 -4.688 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.404 1.528 -2.877 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.712 3.260 -2.739 1.00 0.00 H ATOM 38 HG13 VAL A 3 5.612 2.295 -3.909 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.939 2.619 -6.594 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.191 1.167 -5.931 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.903 1.482 -5.652 1.00 0.00 H ATOM 42 N GLY A 4 1.565 3.609 -2.082 1.00 0.00 N ATOM 43 CA GLY A 4 1.374 3.895 -0.634 1.00 0.00 C ATOM 44 C GLY A 4 0.175 3.089 -0.144 1.00 0.00 C ATOM 45 O GLY A 4 0.223 2.447 0.886 1.00 0.00 O ATOM 46 H GLY A 4 1.302 4.275 -2.750 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.260 3.604 -0.087 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.184 4.947 -0.490 1.00 0.00 H ATOM 49 N ARG A 5 -0.897 3.105 -0.888 1.00 0.00 N ATOM 50 CA ARG A 5 -2.094 2.319 -0.477 1.00 0.00 C ATOM 51 C ARG A 5 -1.713 0.840 -0.374 1.00 0.00 C ATOM 52 O ARG A 5 -2.021 0.173 0.593 1.00 0.00 O ATOM 53 CB ARG A 5 -3.121 2.541 -1.590 1.00 0.00 C ATOM 54 CG ARG A 5 -4.529 2.594 -0.990 1.00 0.00 C ATOM 55 CD ARG A 5 -4.858 1.253 -0.327 1.00 0.00 C ATOM 56 NE ARG A 5 -4.993 0.287 -1.455 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.177 -0.088 -1.863 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.149 -0.243 -1.004 1.00 0.00 N ATOM 59 NH2 ARG A 5 -6.387 -0.315 -3.131 1.00 0.00 N ATOM 60 H ARG A 5 -0.908 3.621 -1.725 1.00 0.00 H ATOM 61 HA ARG A 5 -2.479 2.680 0.465 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.910 3.473 -2.093 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.066 1.730 -2.299 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.575 3.382 -0.251 1.00 0.00 H ATOM 65 HG3 ARG A 5 -5.247 2.792 -1.772 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.054 0.956 0.333 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.787 1.321 0.216 1.00 0.00 H ATOM 68 HE ARG A 5 -4.191 -0.070 -1.890 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.990 -0.073 -0.032 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.053 -0.530 -1.320 1.00 0.00 H ATOM 71 HH21 ARG A 5 -5.643 -0.201 -3.789 1.00 0.00 H ATOM 72 HH22 ARG A 5 -7.292 -0.602 -3.444 1.00 0.00 H ATOM 73 N GLN A 6 -1.032 0.327 -1.366 1.00 0.00 N ATOM 74 CA GLN A 6 -0.617 -1.105 -1.327 1.00 0.00 C ATOM 75 C GLN A 6 0.278 -1.358 -0.112 1.00 0.00 C ATOM 76 O GLN A 6 0.063 -2.279 0.653 1.00 0.00 O ATOM 77 CB GLN A 6 0.170 -1.327 -2.621 1.00 0.00 C ATOM 78 CG GLN A 6 -0.640 -2.208 -3.574 1.00 0.00 C ATOM 79 CD GLN A 6 0.264 -2.706 -4.704 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.483 -2.008 -5.676 1.00 0.00 O ATOM 81 NE2 GLN A 6 0.801 -3.893 -4.619 1.00 0.00 N ATOM 82 H GLN A 6 -0.785 0.889 -2.132 1.00 0.00 H ATOM 83 HA GLN A 6 -1.480 -1.751 -1.304 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.366 -0.373 -3.090 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.107 -1.815 -2.393 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.040 -3.052 -3.033 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.453 -1.633 -3.994 1.00 0.00 H ATOM 88 HE21 GLN A 6 0.623 -4.456 -3.838 1.00 0.00 H ATOM 89 HE22 GLN A 6 1.383 -4.221 -5.337 1.00 0.00 H ATOM 90 N LEU A 7 1.287 -0.548 0.068 1.00 0.00 N ATOM 91 CA LEU A 7 2.205 -0.738 1.229 1.00 0.00 C ATOM 92 C LEU A 7 1.414 -0.797 2.538 1.00 0.00 C ATOM 93 O LEU A 7 1.561 -1.716 3.321 1.00 0.00 O ATOM 94 CB LEU A 7 3.121 0.487 1.211 1.00 0.00 C ATOM 95 CG LEU A 7 4.582 0.034 1.157 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.915 -0.774 2.414 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.797 -0.840 -0.080 1.00 0.00 C ATOM 98 H LEU A 7 1.444 0.184 -0.565 1.00 0.00 H ATOM 99 HA LEU A 7 2.787 -1.635 1.101 1.00 0.00 H ATOM 100 HB2 LEU A 7 2.899 1.090 0.342 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.960 1.070 2.105 1.00 0.00 H ATOM 102 HG LEU A 7 5.226 0.901 1.106 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.391 -0.356 3.261 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.980 -0.733 2.596 1.00 0.00 H ATOM 105 HD13 LEU A 7 4.613 -1.801 2.274 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.697 -1.879 0.190 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.786 -0.664 -0.478 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.060 -0.590 -0.829 1.00 0.00 H ATOM 109 N GLU A 8 0.573 0.171 2.786 1.00 0.00 N ATOM 110 CA GLU A 8 -0.218 0.154 4.047 1.00 0.00 C ATOM 111 C GLU A 8 -1.192 -1.019 4.019 1.00 0.00 C ATOM 112 O GLU A 8 -1.645 -1.490 5.044 1.00 0.00 O ATOM 113 CB GLU A 8 -0.970 1.487 4.075 1.00 0.00 C ATOM 114 CG GLU A 8 -1.954 1.552 2.907 1.00 0.00 C ATOM 115 CD GLU A 8 -2.853 2.780 3.069 1.00 0.00 C ATOM 116 OE1 GLU A 8 -2.433 3.854 2.669 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.945 2.627 3.590 1.00 0.00 O ATOM 118 H GLU A 8 0.460 0.900 2.144 1.00 0.00 H ATOM 119 HA GLU A 8 0.436 0.081 4.901 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.510 1.573 5.006 1.00 0.00 H ATOM 121 HB3 GLU A 8 -0.262 2.299 3.994 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.406 1.626 1.979 1.00 0.00 H ATOM 123 HG3 GLU A 8 -2.563 0.661 2.897 1.00 0.00 H ATOM 124 N GLU A 9 -1.506 -1.505 2.850 1.00 0.00 N ATOM 125 CA GLU A 9 -2.441 -2.662 2.759 1.00 0.00 C ATOM 126 C GLU A 9 -1.665 -3.962 2.962 1.00 0.00 C ATOM 127 O GLU A 9 -2.222 -4.986 3.308 1.00 0.00 O ATOM 128 CB GLU A 9 -3.034 -2.603 1.351 1.00 0.00 C ATOM 129 CG GLU A 9 -4.459 -3.159 1.374 1.00 0.00 C ATOM 130 CD GLU A 9 -4.761 -3.843 0.039 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.030 -3.137 -0.918 1.00 0.00 O ATOM 132 OE2 GLU A 9 -4.718 -5.062 -0.003 1.00 0.00 O ATOM 133 H GLU A 9 -1.117 -1.115 2.035 1.00 0.00 H ATOM 134 HA GLU A 9 -3.221 -2.572 3.496 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.054 -1.579 1.011 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.430 -3.195 0.679 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.551 -3.877 2.176 1.00 0.00 H ATOM 138 HG3 GLU A 9 -5.158 -2.353 1.530 1.00 0.00 H ATOM 139 N PHE A 10 -0.378 -3.924 2.756 1.00 0.00 N ATOM 140 CA PHE A 10 0.447 -5.149 2.943 1.00 0.00 C ATOM 141 C PHE A 10 1.146 -5.093 4.301 1.00 0.00 C ATOM 142 O PHE A 10 1.722 -6.061 4.756 1.00 0.00 O ATOM 143 CB PHE A 10 1.474 -5.109 1.811 1.00 0.00 C ATOM 144 CG PHE A 10 1.517 -6.450 1.116 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.615 -7.628 1.867 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.459 -6.513 -0.281 1.00 0.00 C ATOM 147 CE1 PHE A 10 1.660 -8.868 1.219 1.00 0.00 C ATOM 148 CE2 PHE A 10 1.503 -7.753 -0.928 1.00 0.00 C ATOM 149 CZ PHE A 10 1.603 -8.931 -0.179 1.00 0.00 C ATOM 150 H PHE A 10 0.049 -3.084 2.483 1.00 0.00 H ATOM 151 HA PHE A 10 -0.163 -6.034 2.864 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.195 -4.344 1.101 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.449 -4.886 2.217 1.00 0.00 H ATOM 154 HD1 PHE A 10 1.659 -7.580 2.945 1.00 0.00 H ATOM 155 HD2 PHE A 10 1.382 -5.605 -0.860 1.00 0.00 H ATOM 156 HE1 PHE A 10 1.737 -9.777 1.798 1.00 0.00 H ATOM 157 HE2 PHE A 10 1.460 -7.801 -2.006 1.00 0.00 H ATOM 158 HZ PHE A 10 1.638 -9.889 -0.679 1.00 0.00 H ATOM 159 N LEU A 11 1.104 -3.961 4.951 1.00 0.00 N ATOM 160 CA LEU A 11 1.771 -3.839 6.278 1.00 0.00 C ATOM 161 C LEU A 11 0.821 -3.205 7.299 1.00 0.00 C ATOM 162 O LEU A 11 0.969 -3.396 8.490 1.00 0.00 O ATOM 163 CB LEU A 11 2.975 -2.932 6.030 1.00 0.00 C ATOM 164 CG LEU A 11 4.257 -3.664 6.429 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.079 -4.287 7.815 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.554 -4.767 5.408 1.00 0.00 C ATOM 167 H LEU A 11 0.634 -3.189 4.562 1.00 0.00 H ATOM 168 HA LEU A 11 2.103 -4.805 6.622 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.020 -2.671 4.982 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.877 -2.034 6.621 1.00 0.00 H ATOM 171 HG LEU A 11 5.079 -2.962 6.453 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.882 -3.964 8.461 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.095 -5.364 7.731 1.00 0.00 H ATOM 174 HD13 LEU A 11 3.133 -3.972 8.232 1.00 0.00 H ATOM 175 HD21 LEU A 11 3.625 -5.181 5.042 1.00 0.00 H ATOM 176 HD22 LEU A 11 5.133 -5.547 5.880 1.00 0.00 H ATOM 177 HD23 LEU A 11 5.113 -4.352 4.582 1.00 0.00 H HETATM 178 N NH2 A 12 -0.161 -2.454 6.879 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.283 -2.297 5.921 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.776 -2.047 7.526 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 24 HETATM 1 C ACE A 1 -0.640 5.660 -4.043 1.00 0.00 C HETATM 2 O ACE A 1 -1.101 5.080 -3.078 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.159 7.111 -3.943 1.00 0.00 C HETATM 4 H1 ACE A 1 0.729 7.237 -4.543 1.00 0.00 H HETATM 5 H2 ACE A 1 0.064 7.345 -2.914 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.934 7.771 -4.303 1.00 0.00 H ATOM 7 N LEU A 2 -0.530 5.065 -5.200 1.00 0.00 N ATOM 8 CA LEU A 2 -0.978 3.653 -5.351 1.00 0.00 C ATOM 9 C LEU A 2 -0.017 2.734 -4.604 1.00 0.00 C ATOM 10 O LEU A 2 -0.419 1.795 -3.947 1.00 0.00 O ATOM 11 CB LEU A 2 -0.931 3.376 -6.854 1.00 0.00 C ATOM 12 CG LEU A 2 -2.006 2.349 -7.217 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.369 3.038 -7.291 1.00 0.00 C ATOM 14 CD2 LEU A 2 -1.677 1.728 -8.577 1.00 0.00 C ATOM 15 H LEU A 2 -0.148 5.543 -5.964 1.00 0.00 H ATOM 16 HA LEU A 2 -1.981 3.532 -4.981 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.109 4.293 -7.395 1.00 0.00 H ATOM 18 HB3 LEU A 2 0.041 2.984 -7.118 1.00 0.00 H ATOM 19 HG LEU A 2 -2.035 1.576 -6.463 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.440 3.600 -8.211 1.00 0.00 H ATOM 21 HD12 LEU A 2 -3.481 3.708 -6.451 1.00 0.00 H ATOM 22 HD13 LEU A 2 -4.151 2.293 -7.264 1.00 0.00 H ATOM 23 HD21 LEU A 2 -2.382 2.082 -9.315 1.00 0.00 H ATOM 24 HD22 LEU A 2 -1.739 0.652 -8.506 1.00 0.00 H ATOM 25 HD23 LEU A 2 -0.677 2.012 -8.870 1.00 0.00 H ATOM 26 N VAL A 3 1.252 3.011 -4.688 1.00 0.00 N ATOM 27 CA VAL A 3 2.242 2.167 -3.969 1.00 0.00 C ATOM 28 C VAL A 3 2.081 2.376 -2.463 1.00 0.00 C ATOM 29 O VAL A 3 2.404 1.519 -1.664 1.00 0.00 O ATOM 30 CB VAL A 3 3.606 2.659 -4.447 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.794 2.280 -5.916 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.677 4.181 -4.303 1.00 0.00 C ATOM 33 H VAL A 3 1.552 3.784 -5.213 1.00 0.00 H ATOM 34 HA VAL A 3 2.110 1.126 -4.223 1.00 0.00 H ATOM 35 HB VAL A 3 4.384 2.202 -3.854 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.485 1.453 -5.990 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.188 3.127 -6.460 1.00 0.00 H ATOM 38 HG13 VAL A 3 2.842 1.992 -6.338 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.531 4.641 -5.268 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.645 4.460 -3.913 1.00 0.00 H ATOM 41 HG23 VAL A 3 2.906 4.515 -3.624 1.00 0.00 H ATOM 42 N GLY A 4 1.561 3.510 -2.075 1.00 0.00 N ATOM 43 CA GLY A 4 1.355 3.779 -0.627 1.00 0.00 C ATOM 44 C GLY A 4 0.143 2.982 -0.153 1.00 0.00 C ATOM 45 O GLY A 4 0.181 2.321 0.866 1.00 0.00 O ATOM 46 H GLY A 4 1.293 4.177 -2.740 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.232 3.474 -0.073 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.173 4.831 -0.475 1.00 0.00 H ATOM 49 N ARG A 5 -0.929 3.023 -0.896 1.00 0.00 N ATOM 50 CA ARG A 5 -2.140 2.250 -0.498 1.00 0.00 C ATOM 51 C ARG A 5 -1.788 0.763 -0.418 1.00 0.00 C ATOM 52 O ARG A 5 -2.158 0.071 0.511 1.00 0.00 O ATOM 53 CB ARG A 5 -3.158 2.504 -1.609 1.00 0.00 C ATOM 54 CG ARG A 5 -3.563 3.979 -1.604 1.00 0.00 C ATOM 55 CD ARG A 5 -5.068 4.092 -1.348 1.00 0.00 C ATOM 56 NE ARG A 5 -5.207 4.106 0.135 1.00 0.00 N ATOM 57 CZ ARG A 5 -5.984 4.982 0.711 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.181 5.204 0.239 1.00 0.00 N ATOM 59 NH2 ARG A 5 -5.564 5.637 1.760 1.00 0.00 N ATOM 60 H ARG A 5 -0.934 3.555 -1.723 1.00 0.00 H ATOM 61 HA ARG A 5 -2.522 2.603 0.447 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.718 2.254 -2.564 1.00 0.00 H ATOM 63 HB3 ARG A 5 -4.032 1.893 -1.443 1.00 0.00 H ATOM 64 HG2 ARG A 5 -3.024 4.497 -0.824 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.328 4.421 -2.559 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.453 5.009 -1.775 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.584 3.239 -1.761 1.00 0.00 H ATOM 68 HE ARG A 5 -4.715 3.455 0.678 1.00 0.00 H ATOM 69 HH11 ARG A 5 -7.503 4.701 -0.563 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.777 5.873 0.681 1.00 0.00 H ATOM 71 HH21 ARG A 5 -4.649 5.468 2.122 1.00 0.00 H ATOM 72 HH22 ARG A 5 -6.160 6.310 2.201 1.00 0.00 H ATOM 73 N GLN A 6 -1.064 0.271 -1.384 1.00 0.00 N ATOM 74 CA GLN A 6 -0.674 -1.166 -1.364 1.00 0.00 C ATOM 75 C GLN A 6 0.300 -1.419 -0.211 1.00 0.00 C ATOM 76 O GLN A 6 0.231 -2.430 0.459 1.00 0.00 O ATOM 77 CB GLN A 6 0.004 -1.412 -2.712 1.00 0.00 C ATOM 78 CG GLN A 6 0.611 -2.817 -2.734 1.00 0.00 C ATOM 79 CD GLN A 6 0.947 -3.203 -4.175 1.00 0.00 C ATOM 80 OE1 GLN A 6 2.103 -3.304 -4.535 1.00 0.00 O ATOM 81 NE2 GLN A 6 -0.021 -3.420 -5.023 1.00 0.00 N ATOM 82 H GLN A 6 -0.770 0.848 -2.120 1.00 0.00 H ATOM 83 HA GLN A 6 -1.547 -1.794 -1.268 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.725 -1.322 -3.504 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.787 -0.683 -2.858 1.00 0.00 H ATOM 86 HG2 GLN A 6 1.510 -2.831 -2.135 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.102 -3.523 -2.331 1.00 0.00 H ATOM 88 HE21 GLN A 6 -0.953 -3.335 -4.733 1.00 0.00 H ATOM 89 HE22 GLN A 6 0.184 -3.667 -5.948 1.00 0.00 H ATOM 90 N LEU A 7 1.202 -0.505 0.029 1.00 0.00 N ATOM 91 CA LEU A 7 2.174 -0.693 1.145 1.00 0.00 C ATOM 92 C LEU A 7 1.433 -0.713 2.485 1.00 0.00 C ATOM 93 O LEU A 7 1.468 -1.690 3.210 1.00 0.00 O ATOM 94 CB LEU A 7 3.113 0.510 1.069 1.00 0.00 C ATOM 95 CG LEU A 7 4.407 0.193 1.820 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.414 -0.437 0.857 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.992 1.486 2.392 1.00 0.00 C ATOM 98 H LEU A 7 1.238 0.306 -0.522 1.00 0.00 H ATOM 99 HA LEU A 7 2.730 -1.607 1.009 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.340 0.725 0.035 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.638 1.368 1.521 1.00 0.00 H ATOM 102 HG LEU A 7 4.197 -0.498 2.624 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.887 -0.893 0.032 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.988 -1.188 1.378 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.078 0.327 0.480 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.127 2.203 1.597 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.945 1.275 2.855 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.316 1.890 3.131 1.00 0.00 H ATOM 109 N GLU A 8 0.749 0.350 2.815 1.00 0.00 N ATOM 110 CA GLU A 8 0.001 0.366 4.100 1.00 0.00 C ATOM 111 C GLU A 8 -0.952 -0.820 4.108 1.00 0.00 C ATOM 112 O GLU A 8 -1.291 -1.360 5.142 1.00 0.00 O ATOM 113 CB GLU A 8 -0.765 1.691 4.117 1.00 0.00 C ATOM 114 CG GLU A 8 -1.684 1.767 2.897 1.00 0.00 C ATOM 115 CD GLU A 8 -3.118 1.434 3.314 1.00 0.00 C ATOM 116 OE1 GLU A 8 -3.367 0.287 3.648 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.944 2.332 3.292 1.00 0.00 O ATOM 118 H GLU A 8 0.715 1.121 2.216 1.00 0.00 H ATOM 119 HA GLU A 8 0.681 0.312 4.935 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.357 1.753 5.020 1.00 0.00 H ATOM 121 HB3 GLU A 8 -0.065 2.511 4.089 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.650 2.764 2.482 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.352 1.057 2.156 1.00 0.00 H ATOM 124 N GLU A 9 -1.361 -1.243 2.945 1.00 0.00 N ATOM 125 CA GLU A 9 -2.267 -2.420 2.857 1.00 0.00 C ATOM 126 C GLU A 9 -1.430 -3.693 2.955 1.00 0.00 C ATOM 127 O GLU A 9 -1.907 -4.742 3.337 1.00 0.00 O ATOM 128 CB GLU A 9 -2.936 -2.317 1.487 1.00 0.00 C ATOM 129 CG GLU A 9 -3.893 -3.495 1.299 1.00 0.00 C ATOM 130 CD GLU A 9 -4.933 -3.142 0.234 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.823 -2.072 -0.343 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.823 -3.947 0.014 1.00 0.00 O ATOM 133 H GLU A 9 -1.048 -0.797 2.125 1.00 0.00 H ATOM 134 HA GLU A 9 -3.008 -2.390 3.641 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.487 -1.390 1.423 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.182 -2.342 0.715 1.00 0.00 H ATOM 137 HG2 GLU A 9 -3.336 -4.365 0.985 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.393 -3.704 2.232 1.00 0.00 H ATOM 139 N PHE A 10 -0.172 -3.594 2.620 1.00 0.00 N ATOM 140 CA PHE A 10 0.721 -4.783 2.699 1.00 0.00 C ATOM 141 C PHE A 10 1.051 -5.067 4.164 1.00 0.00 C ATOM 142 O PHE A 10 1.321 -6.188 4.549 1.00 0.00 O ATOM 143 CB PHE A 10 1.982 -4.377 1.937 1.00 0.00 C ATOM 144 CG PHE A 10 2.265 -5.387 0.850 1.00 0.00 C ATOM 145 CD1 PHE A 10 2.207 -6.756 1.132 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.586 -4.951 -0.441 1.00 0.00 C ATOM 147 CE1 PHE A 10 2.473 -7.691 0.125 1.00 0.00 C ATOM 148 CE2 PHE A 10 2.850 -5.884 -1.449 1.00 0.00 C ATOM 149 CZ PHE A 10 2.794 -7.254 -1.166 1.00 0.00 C ATOM 150 H PHE A 10 0.189 -2.730 2.327 1.00 0.00 H ATOM 151 HA PHE A 10 0.261 -5.640 2.235 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.839 -3.403 1.495 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.818 -4.344 2.619 1.00 0.00 H ATOM 154 HD1 PHE A 10 1.958 -7.091 2.129 1.00 0.00 H ATOM 155 HD2 PHE A 10 2.630 -3.893 -0.659 1.00 0.00 H ATOM 156 HE1 PHE A 10 2.429 -8.748 0.343 1.00 0.00 H ATOM 157 HE2 PHE A 10 3.098 -5.548 -2.445 1.00 0.00 H ATOM 158 HZ PHE A 10 3.000 -7.974 -1.944 1.00 0.00 H ATOM 159 N LEU A 11 1.029 -4.051 4.980 1.00 0.00 N ATOM 160 CA LEU A 11 1.339 -4.243 6.424 1.00 0.00 C ATOM 161 C LEU A 11 0.156 -3.787 7.283 1.00 0.00 C ATOM 162 O LEU A 11 0.327 -3.383 8.416 1.00 0.00 O ATOM 163 CB LEU A 11 2.561 -3.361 6.679 1.00 0.00 C ATOM 164 CG LEU A 11 3.755 -4.237 7.058 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.481 -4.689 5.791 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.718 -3.434 7.934 1.00 0.00 C ATOM 167 H LEU A 11 0.808 -3.155 4.639 1.00 0.00 H ATOM 168 HA LEU A 11 1.579 -5.274 6.625 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.795 -2.802 5.782 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.349 -2.674 7.485 1.00 0.00 H ATOM 171 HG LEU A 11 3.406 -5.103 7.603 1.00 0.00 H ATOM 172 HD11 LEU A 11 5.480 -4.280 5.784 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.943 -4.337 4.923 1.00 0.00 H ATOM 174 HD13 LEU A 11 4.534 -5.767 5.770 1.00 0.00 H ATOM 175 HD21 LEU A 11 5.604 -3.192 7.366 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.992 -4.021 8.799 1.00 0.00 H ATOM 177 HD23 LEU A 11 4.236 -2.522 8.255 1.00 0.00 H HETATM 178 N NH2 A 12 -1.051 -3.836 6.786 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -1.192 -4.161 5.872 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -1.815 -3.549 7.328 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 25 HETATM 1 C ACE A 1 -0.704 5.469 -4.147 1.00 0.00 C HETATM 2 O ACE A 1 -1.197 4.939 -3.169 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.334 6.955 -4.143 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.535 7.373 -3.168 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.920 7.473 -4.886 1.00 0.00 H HETATM 6 H3 ACE A 1 0.715 7.063 -4.374 1.00 0.00 H ATOM 7 N LEU A 2 -0.468 4.791 -5.236 1.00 0.00 N ATOM 8 CA LEU A 2 -0.803 3.341 -5.297 1.00 0.00 C ATOM 9 C LEU A 2 0.185 2.551 -4.443 1.00 0.00 C ATOM 10 O LEU A 2 -0.179 1.621 -3.751 1.00 0.00 O ATOM 11 CB LEU A 2 -0.671 2.961 -6.772 1.00 0.00 C ATOM 12 CG LEU A 2 -1.887 2.136 -7.197 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.466 2.712 -8.491 1.00 0.00 C ATOM 14 CD2 LEU A 2 -1.460 0.685 -7.434 1.00 0.00 C ATOM 15 H LEU A 2 -0.064 5.234 -6.012 1.00 0.00 H ATOM 16 HA LEU A 2 -1.812 3.174 -4.958 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.615 3.858 -7.372 1.00 0.00 H ATOM 18 HB3 LEU A 2 0.226 2.377 -6.913 1.00 0.00 H ATOM 19 HG LEU A 2 -2.636 2.171 -6.420 1.00 0.00 H ATOM 20 HD11 LEU A 2 -1.867 3.551 -8.812 1.00 0.00 H ATOM 21 HD12 LEU A 2 -3.481 3.039 -8.316 1.00 0.00 H ATOM 22 HD13 LEU A 2 -2.461 1.951 -9.258 1.00 0.00 H ATOM 23 HD21 LEU A 2 -2.337 0.060 -7.511 1.00 0.00 H ATOM 24 HD22 LEU A 2 -0.851 0.350 -6.607 1.00 0.00 H ATOM 25 HD23 LEU A 2 -0.890 0.622 -8.349 1.00 0.00 H ATOM 26 N VAL A 3 1.433 2.923 -4.479 1.00 0.00 N ATOM 27 CA VAL A 3 2.443 2.202 -3.657 1.00 0.00 C ATOM 28 C VAL A 3 2.214 2.520 -2.180 1.00 0.00 C ATOM 29 O VAL A 3 2.574 1.758 -1.302 1.00 0.00 O ATOM 30 CB VAL A 3 3.796 2.742 -4.122 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.947 4.197 -3.673 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.917 1.902 -3.507 1.00 0.00 C ATOM 33 H VAL A 3 1.703 3.683 -5.037 1.00 0.00 H ATOM 34 HA VAL A 3 2.386 1.139 -3.831 1.00 0.00 H ATOM 35 HB VAL A 3 3.853 2.690 -5.200 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.253 4.226 -2.638 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.001 4.708 -3.784 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.692 4.686 -4.283 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.488 1.105 -2.918 1.00 0.00 H ATOM 40 HG22 VAL A 3 5.531 2.527 -2.875 1.00 0.00 H ATOM 41 HG23 VAL A 3 5.525 1.481 -4.295 1.00 0.00 H ATOM 42 N GLY A 4 1.600 3.639 -1.901 1.00 0.00 N ATOM 43 CA GLY A 4 1.332 4.012 -0.485 1.00 0.00 C ATOM 44 C GLY A 4 0.129 3.218 0.014 1.00 0.00 C ATOM 45 O GLY A 4 0.159 2.621 1.072 1.00 0.00 O ATOM 46 H GLY A 4 1.308 4.231 -2.627 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.197 3.781 0.120 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.115 5.067 -0.422 1.00 0.00 H ATOM 49 N ARG A 5 -0.931 3.194 -0.747 1.00 0.00 N ATOM 50 CA ARG A 5 -2.131 2.423 -0.320 1.00 0.00 C ATOM 51 C ARG A 5 -1.795 0.932 -0.290 1.00 0.00 C ATOM 52 O ARG A 5 -2.157 0.218 0.625 1.00 0.00 O ATOM 53 CB ARG A 5 -3.193 2.715 -1.383 1.00 0.00 C ATOM 54 CG ARG A 5 -4.576 2.368 -0.830 1.00 0.00 C ATOM 55 CD ARG A 5 -5.007 0.997 -1.356 1.00 0.00 C ATOM 56 NE ARG A 5 -6.467 0.918 -1.071 1.00 0.00 N ATOM 57 CZ ARG A 5 -7.281 0.432 -1.967 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.138 -0.798 -2.378 1.00 0.00 N ATOM 59 NH2 ARG A 5 -8.238 1.175 -2.452 1.00 0.00 N ATOM 60 H ARG A 5 -0.932 3.676 -1.603 1.00 0.00 H ATOM 61 HA ARG A 5 -2.471 2.756 0.647 1.00 0.00 H ATOM 62 HB2 ARG A 5 -3.160 3.764 -1.644 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.998 2.118 -2.261 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.537 2.345 0.249 1.00 0.00 H ATOM 65 HG3 ARG A 5 -5.289 3.113 -1.149 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.823 0.929 -2.419 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.485 0.212 -0.832 1.00 0.00 H ATOM 68 HE ARG A 5 -6.815 1.233 -0.211 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.405 -1.368 -2.007 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.762 -1.172 -3.065 1.00 0.00 H ATOM 71 HH21 ARG A 5 -8.347 2.118 -2.137 1.00 0.00 H ATOM 72 HH22 ARG A 5 -8.862 0.801 -3.139 1.00 0.00 H ATOM 73 N GLN A 6 -1.092 0.459 -1.284 1.00 0.00 N ATOM 74 CA GLN A 6 -0.718 -0.982 -1.314 1.00 0.00 C ATOM 75 C GLN A 6 0.233 -1.298 -0.157 1.00 0.00 C ATOM 76 O GLN A 6 0.037 -2.244 0.579 1.00 0.00 O ATOM 77 CB GLN A 6 -0.016 -1.181 -2.657 1.00 0.00 C ATOM 78 CG GLN A 6 -0.326 -2.579 -3.196 1.00 0.00 C ATOM 79 CD GLN A 6 0.615 -3.596 -2.547 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.467 -3.926 -1.388 1.00 0.00 O ATOM 81 NE2 GLN A 6 1.584 -4.110 -3.253 1.00 0.00 N ATOM 82 H GLN A 6 -0.804 1.055 -2.007 1.00 0.00 H ATOM 83 HA GLN A 6 -1.598 -1.603 -1.262 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.365 -0.438 -3.360 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.051 -1.078 -2.525 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.350 -2.834 -2.962 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.186 -2.592 -4.265 1.00 0.00 H ATOM 88 HE21 GLN A 6 1.705 -3.844 -4.188 1.00 0.00 H ATOM 89 HE22 GLN A 6 2.193 -4.763 -2.846 1.00 0.00 H ATOM 90 N LEU A 7 1.261 -0.509 0.013 1.00 0.00 N ATOM 91 CA LEU A 7 2.215 -0.766 1.127 1.00 0.00 C ATOM 92 C LEU A 7 1.472 -0.756 2.465 1.00 0.00 C ATOM 93 O LEU A 7 1.594 -1.666 3.262 1.00 0.00 O ATOM 94 CB LEU A 7 3.223 0.382 1.062 1.00 0.00 C ATOM 95 CG LEU A 7 4.331 0.031 0.066 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.239 1.245 -0.138 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.155 -1.135 0.614 1.00 0.00 C ATOM 98 H LEU A 7 1.402 0.253 -0.590 1.00 0.00 H ATOM 99 HA LEU A 7 2.718 -1.708 0.983 1.00 0.00 H ATOM 100 HB2 LEU A 7 2.721 1.283 0.742 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.657 0.538 2.039 1.00 0.00 H ATOM 102 HG LEU A 7 3.889 -0.250 -0.879 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.063 1.963 0.649 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.024 1.698 -1.094 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.272 0.930 -0.112 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.976 -2.015 0.015 1.00 0.00 H ATOM 107 HD22 LEU A 7 4.866 -1.331 1.637 1.00 0.00 H ATOM 108 HD23 LEU A 7 6.204 -0.882 0.580 1.00 0.00 H ATOM 109 N GLU A 8 0.689 0.259 2.710 1.00 0.00 N ATOM 110 CA GLU A 8 -0.069 0.315 3.990 1.00 0.00 C ATOM 111 C GLU A 8 -1.095 -0.816 4.015 1.00 0.00 C ATOM 112 O GLU A 8 -1.537 -1.250 5.060 1.00 0.00 O ATOM 113 CB GLU A 8 -0.765 1.676 3.986 1.00 0.00 C ATOM 114 CG GLU A 8 -0.552 2.363 5.337 1.00 0.00 C ATOM 115 CD GLU A 8 -1.439 1.700 6.392 1.00 0.00 C ATOM 116 OE1 GLU A 8 -2.340 0.971 6.007 1.00 0.00 O ATOM 117 OE2 GLU A 8 -1.203 1.930 7.566 1.00 0.00 O ATOM 118 H GLU A 8 0.594 0.977 2.052 1.00 0.00 H ATOM 119 HA GLU A 8 0.600 0.240 4.832 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.351 2.290 3.200 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.823 1.540 3.817 1.00 0.00 H ATOM 122 HG2 GLU A 8 0.484 2.270 5.628 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.813 3.407 5.255 1.00 0.00 H ATOM 124 N GLU A 9 -1.466 -1.302 2.863 1.00 0.00 N ATOM 125 CA GLU A 9 -2.454 -2.414 2.807 1.00 0.00 C ATOM 126 C GLU A 9 -1.720 -3.755 2.874 1.00 0.00 C ATOM 127 O GLU A 9 -2.303 -4.782 3.157 1.00 0.00 O ATOM 128 CB GLU A 9 -3.162 -2.252 1.461 1.00 0.00 C ATOM 129 CG GLU A 9 -4.261 -3.308 1.333 1.00 0.00 C ATOM 130 CD GLU A 9 -5.212 -2.920 0.200 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.892 -1.990 -0.522 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.244 -3.558 0.073 1.00 0.00 O ATOM 133 H GLU A 9 -1.085 -0.938 2.034 1.00 0.00 H ATOM 134 HA GLU A 9 -3.162 -2.331 3.614 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.600 -1.266 1.404 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.449 -2.378 0.662 1.00 0.00 H ATOM 137 HG2 GLU A 9 -3.814 -4.268 1.116 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.814 -3.369 2.259 1.00 0.00 H ATOM 139 N PHE A 10 -0.441 -3.745 2.624 1.00 0.00 N ATOM 140 CA PHE A 10 0.341 -5.012 2.682 1.00 0.00 C ATOM 141 C PHE A 10 1.059 -5.109 4.028 1.00 0.00 C ATOM 142 O PHE A 10 1.563 -6.150 4.402 1.00 0.00 O ATOM 143 CB PHE A 10 1.353 -4.906 1.539 1.00 0.00 C ATOM 144 CG PHE A 10 1.374 -6.200 0.762 1.00 0.00 C ATOM 145 CD1 PHE A 10 0.174 -6.774 0.327 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.594 -6.825 0.476 1.00 0.00 C ATOM 147 CE1 PHE A 10 0.193 -7.974 -0.395 1.00 0.00 C ATOM 148 CE2 PHE A 10 2.613 -8.025 -0.246 1.00 0.00 C ATOM 149 CZ PHE A 10 1.412 -8.599 -0.681 1.00 0.00 C ATOM 150 H PHE A 10 0.009 -2.902 2.405 1.00 0.00 H ATOM 151 HA PHE A 10 -0.303 -5.863 2.530 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.071 -4.096 0.884 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.336 -4.715 1.946 1.00 0.00 H ATOM 154 HD1 PHE A 10 -0.767 -6.293 0.548 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.519 -6.383 0.811 1.00 0.00 H ATOM 156 HE1 PHE A 10 -0.733 -8.418 -0.730 1.00 0.00 H ATOM 157 HE2 PHE A 10 3.554 -8.507 -0.466 1.00 0.00 H ATOM 158 HZ PHE A 10 1.427 -9.525 -1.238 1.00 0.00 H ATOM 159 N LEU A 11 1.106 -4.029 4.759 1.00 0.00 N ATOM 160 CA LEU A 11 1.789 -4.053 6.085 1.00 0.00 C ATOM 161 C LEU A 11 0.756 -4.157 7.210 1.00 0.00 C ATOM 162 O LEU A 11 0.621 -3.258 8.017 1.00 0.00 O ATOM 163 CB LEU A 11 2.540 -2.723 6.167 1.00 0.00 C ATOM 164 CG LEU A 11 3.861 -2.836 5.406 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.258 -1.461 4.864 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.952 -3.344 6.352 1.00 0.00 C ATOM 167 H LEU A 11 0.691 -3.200 4.436 1.00 0.00 H ATOM 168 HA LEU A 11 2.487 -4.874 6.135 1.00 0.00 H ATOM 169 HB2 LEU A 11 1.936 -1.942 5.729 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.741 -2.486 7.201 1.00 0.00 H ATOM 171 HG LEU A 11 3.745 -3.527 4.583 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.419 -1.023 4.345 1.00 0.00 H ATOM 173 HD12 LEU A 11 5.088 -1.569 4.181 1.00 0.00 H ATOM 174 HD13 LEU A 11 4.548 -0.821 5.684 1.00 0.00 H ATOM 175 HD21 LEU A 11 5.591 -4.038 5.826 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.493 -3.843 7.193 1.00 0.00 H ATOM 177 HD23 LEU A 11 5.539 -2.509 6.705 1.00 0.00 H HETATM 178 N NH2 A 12 0.013 -5.225 7.296 1.00 0.00 N HETATM 179 HN1 NH2 A 12 0.121 -5.951 6.646 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.652 -5.303 8.011 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 26 HETATM 1 C ACE A 1 -0.915 5.757 -3.832 1.00 0.00 C HETATM 2 O ACE A 1 -1.506 5.130 -2.974 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.399 7.173 -3.566 1.00 0.00 C HETATM 4 H1 ACE A 1 0.549 7.120 -3.052 1.00 0.00 H HETATM 5 H2 ACE A 1 -1.111 7.706 -2.953 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.272 7.693 -4.503 1.00 0.00 H ATOM 7 N LEU A 2 -0.687 5.241 -5.009 1.00 0.00 N ATOM 8 CA LEU A 2 -1.160 3.864 -5.317 1.00 0.00 C ATOM 9 C LEU A 2 -0.212 2.856 -4.681 1.00 0.00 C ATOM 10 O LEU A 2 -0.620 1.980 -3.944 1.00 0.00 O ATOM 11 CB LEU A 2 -1.127 3.759 -6.841 1.00 0.00 C ATOM 12 CG LEU A 2 -2.553 3.807 -7.388 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.267 5.051 -6.855 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.506 3.862 -8.917 1.00 0.00 C ATOM 15 H LEU A 2 -0.198 5.753 -5.686 1.00 0.00 H ATOM 16 HA LEU A 2 -2.163 3.720 -4.952 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.556 4.582 -7.247 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.664 2.825 -7.126 1.00 0.00 H ATOM 19 HG LEU A 2 -3.089 2.922 -7.075 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.541 5.827 -6.662 1.00 0.00 H ATOM 21 HD12 LEU A 2 -3.783 4.805 -5.939 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.979 5.398 -7.587 1.00 0.00 H ATOM 23 HD21 LEU A 2 -1.543 4.233 -9.234 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.282 4.521 -9.277 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.661 2.871 -9.318 1.00 0.00 H ATOM 26 N VAL A 3 1.057 2.989 -4.939 1.00 0.00 N ATOM 27 CA VAL A 3 2.032 2.052 -4.324 1.00 0.00 C ATOM 28 C VAL A 3 2.062 2.302 -2.818 1.00 0.00 C ATOM 29 O VAL A 3 2.386 1.432 -2.030 1.00 0.00 O ATOM 30 CB VAL A 3 3.378 2.397 -4.958 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.691 3.877 -4.725 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.473 1.535 -4.325 1.00 0.00 C ATOM 33 H VAL A 3 1.365 3.717 -5.520 1.00 0.00 H ATOM 34 HA VAL A 3 1.766 1.029 -4.537 1.00 0.00 H ATOM 35 HB VAL A 3 3.333 2.203 -6.020 1.00 0.00 H ATOM 36 HG11 VAL A 3 3.362 4.162 -3.737 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.175 4.474 -5.463 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.755 4.038 -4.812 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.209 0.492 -4.421 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.569 1.787 -3.279 1.00 0.00 H ATOM 41 HG23 VAL A 3 5.410 1.718 -4.827 1.00 0.00 H ATOM 42 N GLY A 4 1.698 3.491 -2.418 1.00 0.00 N ATOM 43 CA GLY A 4 1.677 3.816 -0.968 1.00 0.00 C ATOM 44 C GLY A 4 0.500 3.087 -0.339 1.00 0.00 C ATOM 45 O GLY A 4 0.623 2.449 0.688 1.00 0.00 O ATOM 46 H GLY A 4 1.420 4.164 -3.075 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.600 3.490 -0.507 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.557 4.879 -0.833 1.00 0.00 H ATOM 49 N ARG A 5 -0.644 3.155 -0.962 1.00 0.00 N ATOM 50 CA ARG A 5 -1.823 2.437 -0.408 1.00 0.00 C ATOM 51 C ARG A 5 -1.517 0.940 -0.393 1.00 0.00 C ATOM 52 O ARG A 5 -1.945 0.212 0.482 1.00 0.00 O ATOM 53 CB ARG A 5 -2.974 2.751 -1.363 1.00 0.00 C ATOM 54 CG ARG A 5 -4.081 3.482 -0.601 1.00 0.00 C ATOM 55 CD ARG A 5 -4.053 4.970 -0.955 1.00 0.00 C ATOM 56 NE ARG A 5 -2.816 5.496 -0.313 1.00 0.00 N ATOM 57 CZ ARG A 5 -2.731 5.559 0.989 1.00 0.00 C ATOM 58 NH1 ARG A 5 -3.799 5.397 1.722 1.00 0.00 N ATOM 59 NH2 ARG A 5 -1.578 5.783 1.558 1.00 0.00 N ATOM 60 H ARG A 5 -0.721 3.660 -1.801 1.00 0.00 H ATOM 61 HA ARG A 5 -2.051 2.791 0.586 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.613 3.377 -2.167 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.365 1.830 -1.770 1.00 0.00 H ATOM 64 HG2 ARG A 5 -5.040 3.064 -0.871 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.923 3.364 0.461 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.007 5.098 -2.029 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.920 5.470 -0.553 1.00 0.00 H ATOM 68 HE ARG A 5 -2.065 5.795 -0.868 1.00 0.00 H ATOM 69 HH11 ARG A 5 -4.683 5.226 1.287 1.00 0.00 H ATOM 70 HH12 ARG A 5 -3.733 5.445 2.718 1.00 0.00 H ATOM 71 HH21 ARG A 5 -0.759 5.908 0.999 1.00 0.00 H ATOM 72 HH22 ARG A 5 -1.514 5.830 2.555 1.00 0.00 H ATOM 73 N GLN A 6 -0.754 0.482 -1.351 1.00 0.00 N ATOM 74 CA GLN A 6 -0.392 -0.962 -1.392 1.00 0.00 C ATOM 75 C GLN A 6 0.422 -1.313 -0.147 1.00 0.00 C ATOM 76 O GLN A 6 0.039 -2.158 0.638 1.00 0.00 O ATOM 77 CB GLN A 6 0.457 -1.125 -2.654 1.00 0.00 C ATOM 78 CG GLN A 6 1.103 -2.512 -2.663 1.00 0.00 C ATOM 79 CD GLN A 6 2.478 -2.440 -1.995 1.00 0.00 C ATOM 80 OE1 GLN A 6 2.692 -3.030 -0.954 1.00 0.00 O ATOM 81 NE2 GLN A 6 3.427 -1.738 -2.552 1.00 0.00 N ATOM 82 H GLN A 6 -0.408 1.093 -2.035 1.00 0.00 H ATOM 83 HA GLN A 6 -1.277 -1.574 -1.454 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.172 -1.015 -3.527 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.229 -0.371 -2.670 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.474 -3.205 -2.122 1.00 0.00 H ATOM 87 HG3 GLN A 6 1.218 -2.850 -3.683 1.00 0.00 H ATOM 88 HE21 GLN A 6 3.256 -1.262 -3.392 1.00 0.00 H ATOM 89 HE22 GLN A 6 4.310 -1.686 -2.131 1.00 0.00 H ATOM 90 N LEU A 7 1.538 -0.662 0.050 1.00 0.00 N ATOM 91 CA LEU A 7 2.358 -0.960 1.258 1.00 0.00 C ATOM 92 C LEU A 7 1.479 -0.863 2.505 1.00 0.00 C ATOM 93 O LEU A 7 1.526 -1.703 3.385 1.00 0.00 O ATOM 94 CB LEU A 7 3.448 0.114 1.281 1.00 0.00 C ATOM 95 CG LEU A 7 4.619 -0.330 0.404 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.267 0.897 -0.244 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.654 -1.056 1.265 1.00 0.00 C ATOM 98 H LEU A 7 1.830 0.027 -0.590 1.00 0.00 H ATOM 99 HA LEU A 7 2.802 -1.940 1.182 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.046 1.043 0.907 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.793 0.251 2.294 1.00 0.00 H ATOM 102 HG LEU A 7 4.260 -0.995 -0.368 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.828 1.794 0.166 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.103 0.870 -1.310 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.328 0.891 -0.042 1.00 0.00 H ATOM 106 HD21 LEU A 7 6.163 -1.798 0.668 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.157 -1.540 2.094 1.00 0.00 H ATOM 108 HD23 LEU A 7 6.372 -0.344 1.642 1.00 0.00 H ATOM 109 N GLU A 8 0.656 0.150 2.579 1.00 0.00 N ATOM 110 CA GLU A 8 -0.240 0.289 3.756 1.00 0.00 C ATOM 111 C GLU A 8 -1.145 -0.934 3.823 1.00 0.00 C ATOM 112 O GLU A 8 -1.557 -1.366 4.882 1.00 0.00 O ATOM 113 CB GLU A 8 -1.054 1.559 3.498 1.00 0.00 C ATOM 114 CG GLU A 8 -1.376 2.238 4.831 1.00 0.00 C ATOM 115 CD GLU A 8 -2.521 1.493 5.520 1.00 0.00 C ATOM 116 OE1 GLU A 8 -3.349 0.939 4.817 1.00 0.00 O ATOM 117 OE2 GLU A 8 -2.550 1.493 6.740 1.00 0.00 O ATOM 118 H GLU A 8 0.617 0.804 1.853 1.00 0.00 H ATOM 119 HA GLU A 8 0.335 0.386 4.663 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.480 2.233 2.879 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.974 1.303 2.995 1.00 0.00 H ATOM 122 HG2 GLU A 8 -0.500 2.219 5.464 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.670 3.261 4.652 1.00 0.00 H ATOM 124 N GLU A 9 -1.436 -1.507 2.690 1.00 0.00 N ATOM 125 CA GLU A 9 -2.291 -2.724 2.670 1.00 0.00 C ATOM 126 C GLU A 9 -1.423 -3.943 2.966 1.00 0.00 C ATOM 127 O GLU A 9 -1.900 -4.976 3.393 1.00 0.00 O ATOM 128 CB GLU A 9 -2.859 -2.796 1.252 1.00 0.00 C ATOM 129 CG GLU A 9 -3.919 -3.896 1.182 1.00 0.00 C ATOM 130 CD GLU A 9 -4.734 -3.737 -0.102 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.143 -3.412 -1.118 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.935 -3.941 -0.046 1.00 0.00 O ATOM 133 H GLU A 9 -1.073 -1.145 1.853 1.00 0.00 H ATOM 134 HA GLU A 9 -3.087 -2.639 3.391 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.305 -1.847 0.994 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.065 -3.022 0.557 1.00 0.00 H ATOM 137 HG2 GLU A 9 -3.436 -4.863 1.186 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.576 -3.819 2.035 1.00 0.00 H ATOM 139 N PHE A 10 -0.141 -3.816 2.756 1.00 0.00 N ATOM 140 CA PHE A 10 0.778 -4.952 3.038 1.00 0.00 C ATOM 141 C PHE A 10 0.986 -5.068 4.545 1.00 0.00 C ATOM 142 O PHE A 10 1.238 -6.135 5.070 1.00 0.00 O ATOM 143 CB PHE A 10 2.091 -4.582 2.346 1.00 0.00 C ATOM 144 CG PHE A 10 2.219 -5.344 1.050 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.175 -5.322 0.117 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.384 -6.073 0.781 1.00 0.00 C ATOM 147 CE1 PHE A 10 1.297 -6.029 -1.086 1.00 0.00 C ATOM 148 CE2 PHE A 10 3.505 -6.781 -0.421 1.00 0.00 C ATOM 149 CZ PHE A 10 2.462 -6.758 -1.355 1.00 0.00 C ATOM 150 H PHE A 10 0.219 -2.966 2.425 1.00 0.00 H ATOM 151 HA PHE A 10 0.386 -5.871 2.632 1.00 0.00 H ATOM 152 HB2 PHE A 10 2.103 -3.521 2.143 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.919 -4.833 2.993 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.278 -4.760 0.324 1.00 0.00 H ATOM 155 HD2 PHE A 10 4.189 -6.090 1.500 1.00 0.00 H ATOM 156 HE1 PHE A 10 0.493 -6.012 -1.806 1.00 0.00 H ATOM 157 HE2 PHE A 10 4.403 -7.344 -0.628 1.00 0.00 H ATOM 158 HZ PHE A 10 2.556 -7.302 -2.282 1.00 0.00 H ATOM 159 N LEU A 11 0.882 -3.971 5.247 1.00 0.00 N ATOM 160 CA LEU A 11 1.073 -4.013 6.725 1.00 0.00 C ATOM 161 C LEU A 11 0.237 -2.922 7.400 1.00 0.00 C ATOM 162 O LEU A 11 0.555 -1.752 7.318 1.00 0.00 O ATOM 163 CB LEU A 11 2.564 -3.757 6.938 1.00 0.00 C ATOM 164 CG LEU A 11 3.018 -4.429 8.235 1.00 0.00 C ATOM 165 CD1 LEU A 11 2.903 -5.948 8.094 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.474 -4.054 8.519 1.00 0.00 C ATOM 167 H LEU A 11 0.676 -3.118 4.800 1.00 0.00 H ATOM 168 HA LEU A 11 0.808 -4.985 7.112 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.121 -4.162 6.106 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.741 -2.694 7.006 1.00 0.00 H ATOM 171 HG LEU A 11 2.392 -4.096 9.050 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.371 -6.425 8.943 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.396 -6.264 7.187 1.00 0.00 H ATOM 174 HD13 LEU A 11 1.861 -6.229 8.054 1.00 0.00 H ATOM 175 HD21 LEU A 11 4.648 -4.068 9.584 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.672 -3.065 8.134 1.00 0.00 H ATOM 177 HD23 LEU A 11 5.129 -4.765 8.038 1.00 0.00 H HETATM 178 N NH2 A 12 -0.829 -3.262 8.070 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -1.087 -4.205 8.138 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -1.371 -2.573 8.509 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 27 HETATM 1 C ACE A 1 -0.396 5.782 -4.025 1.00 0.00 C HETATM 2 O ACE A 1 -0.848 5.190 -3.062 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.206 7.183 -3.886 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.590 7.912 -3.849 1.00 0.00 H HETATM 5 H2 ACE A 1 0.842 7.386 -4.734 1.00 0.00 H HETATM 6 H3 ACE A 1 0.788 7.237 -2.979 1.00 0.00 H ATOM 7 N LEU A 2 -0.394 5.243 -5.212 1.00 0.00 N ATOM 8 CA LEU A 2 -0.957 3.880 -5.408 1.00 0.00 C ATOM 9 C LEU A 2 -0.089 2.869 -4.663 1.00 0.00 C ATOM 10 O LEU A 2 -0.580 1.956 -4.026 1.00 0.00 O ATOM 11 CB LEU A 2 -0.898 3.639 -6.918 1.00 0.00 C ATOM 12 CG LEU A 2 -2.231 3.065 -7.396 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.261 3.050 -8.924 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.389 1.637 -6.870 1.00 0.00 C ATOM 15 H LEU A 2 -0.013 5.728 -5.972 1.00 0.00 H ATOM 16 HA LEU A 2 -1.976 3.836 -5.063 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.706 4.575 -7.424 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.106 2.939 -7.140 1.00 0.00 H ATOM 19 HG LEU A 2 -3.040 3.679 -7.026 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.042 2.386 -9.263 1.00 0.00 H ATOM 21 HD12 LEU A 2 -1.309 2.706 -9.299 1.00 0.00 H ATOM 22 HD13 LEU A 2 -2.452 4.048 -9.290 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.417 1.323 -6.984 1.00 0.00 H ATOM 24 HD22 LEU A 2 -2.116 1.606 -5.826 1.00 0.00 H ATOM 25 HD23 LEU A 2 -1.746 0.974 -7.430 1.00 0.00 H ATOM 26 N VAL A 3 1.201 3.046 -4.721 1.00 0.00 N ATOM 27 CA VAL A 3 2.111 2.115 -3.999 1.00 0.00 C ATOM 28 C VAL A 3 1.996 2.373 -2.499 1.00 0.00 C ATOM 29 O VAL A 3 2.293 1.524 -1.683 1.00 0.00 O ATOM 30 CB VAL A 3 3.516 2.447 -4.500 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.868 3.889 -4.128 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.523 1.495 -3.853 1.00 0.00 C ATOM 33 H VAL A 3 1.568 3.804 -5.228 1.00 0.00 H ATOM 34 HA VAL A 3 1.865 1.090 -4.229 1.00 0.00 H ATOM 35 HB VAL A 3 3.549 2.335 -5.574 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.941 3.983 -4.031 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.398 4.144 -3.190 1.00 0.00 H ATOM 38 HG13 VAL A 3 3.519 4.556 -4.900 1.00 0.00 H ATOM 39 HG21 VAL A 3 5.100 1.002 -4.623 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.994 0.754 -3.270 1.00 0.00 H ATOM 41 HG23 VAL A 3 5.185 2.054 -3.210 1.00 0.00 H ATOM 42 N GLY A 4 1.547 3.544 -2.134 1.00 0.00 N ATOM 43 CA GLY A 4 1.388 3.868 -0.691 1.00 0.00 C ATOM 44 C GLY A 4 0.179 3.110 -0.158 1.00 0.00 C ATOM 45 O GLY A 4 0.228 2.494 0.887 1.00 0.00 O ATOM 46 H GLY A 4 1.302 4.204 -2.814 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.277 3.569 -0.151 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.228 4.929 -0.573 1.00 0.00 H ATOM 49 N ARG A 5 -0.907 3.137 -0.882 1.00 0.00 N ATOM 50 CA ARG A 5 -2.116 2.398 -0.425 1.00 0.00 C ATOM 51 C ARG A 5 -1.799 0.901 -0.366 1.00 0.00 C ATOM 52 O ARG A 5 -2.089 0.228 0.606 1.00 0.00 O ATOM 53 CB ARG A 5 -3.187 2.684 -1.481 1.00 0.00 C ATOM 54 CG ARG A 5 -4.280 3.569 -0.877 1.00 0.00 C ATOM 55 CD ARG A 5 -5.034 2.790 0.205 1.00 0.00 C ATOM 56 NE ARG A 5 -6.437 2.708 -0.287 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.683 2.236 -1.479 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.632 0.949 -1.696 1.00 0.00 N ATOM 59 NH2 ARG A 5 -6.980 3.050 -2.456 1.00 0.00 N ATOM 60 H ARG A 5 -0.919 3.632 -1.732 1.00 0.00 H ATOM 61 HA ARG A 5 -2.438 2.757 0.540 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.735 3.193 -2.320 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.623 1.755 -1.814 1.00 0.00 H ATOM 64 HG2 ARG A 5 -3.830 4.449 -0.440 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.972 3.865 -1.652 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.612 1.801 0.318 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.003 3.322 1.143 1.00 0.00 H ATOM 68 HE ARG A 5 -7.176 3.005 0.284 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.405 0.325 -0.948 1.00 0.00 H ATOM 70 HH12 ARG A 5 -6.821 0.588 -2.609 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.018 4.036 -2.290 1.00 0.00 H ATOM 72 HH22 ARG A 5 -7.166 2.689 -3.371 1.00 0.00 H ATOM 73 N GLN A 6 -1.187 0.377 -1.396 1.00 0.00 N ATOM 74 CA GLN A 6 -0.840 -1.073 -1.390 1.00 0.00 C ATOM 75 C GLN A 6 0.098 -1.373 -0.218 1.00 0.00 C ATOM 76 O GLN A 6 -0.081 -2.334 0.503 1.00 0.00 O ATOM 77 CB GLN A 6 -0.132 -1.326 -2.722 1.00 0.00 C ATOM 78 CG GLN A 6 0.476 -2.729 -2.713 1.00 0.00 C ATOM 79 CD GLN A 6 0.944 -3.094 -4.122 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.626 -2.412 -5.076 1.00 0.00 O ATOM 81 NE2 GLN A 6 1.695 -4.147 -4.293 1.00 0.00 N ATOM 82 H GLN A 6 -0.949 0.938 -2.168 1.00 0.00 H ATOM 83 HA GLN A 6 -1.732 -1.675 -1.324 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.844 -1.245 -3.529 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.653 -0.598 -2.857 1.00 0.00 H ATOM 86 HG2 GLN A 6 1.318 -2.753 -2.035 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.268 -3.442 -2.388 1.00 0.00 H ATOM 88 HE21 GLN A 6 1.954 -4.694 -3.523 1.00 0.00 H ATOM 89 HE22 GLN A 6 1.999 -4.390 -5.193 1.00 0.00 H ATOM 90 N LEU A 7 1.092 -0.550 -0.020 1.00 0.00 N ATOM 91 CA LEU A 7 2.036 -0.783 1.110 1.00 0.00 C ATOM 92 C LEU A 7 1.267 -0.812 2.433 1.00 0.00 C ATOM 93 O LEU A 7 1.444 -1.698 3.247 1.00 0.00 O ATOM 94 CB LEU A 7 3.002 0.401 1.076 1.00 0.00 C ATOM 95 CG LEU A 7 4.340 -0.013 1.690 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.104 -0.602 3.081 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.001 -1.066 0.798 1.00 0.00 C ATOM 98 H LEU A 7 1.216 0.223 -0.610 1.00 0.00 H ATOM 99 HA LEU A 7 2.575 -1.706 0.968 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.155 0.711 0.052 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.587 1.222 1.642 1.00 0.00 H ATOM 102 HG LEU A 7 4.982 0.852 1.767 1.00 0.00 H ATOM 103 HD11 LEU A 7 3.317 -0.052 3.576 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.013 -0.530 3.660 1.00 0.00 H ATOM 105 HD13 LEU A 7 3.817 -1.639 2.989 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.289 -1.417 0.066 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.331 -1.896 1.406 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.850 -0.628 0.295 1.00 0.00 H ATOM 109 N GLU A 8 0.403 0.142 2.647 1.00 0.00 N ATOM 110 CA GLU A 8 -0.384 0.153 3.908 1.00 0.00 C ATOM 111 C GLU A 8 -1.219 -1.119 3.974 1.00 0.00 C ATOM 112 O GLU A 8 -1.538 -1.619 5.033 1.00 0.00 O ATOM 113 CB GLU A 8 -1.282 1.387 3.814 1.00 0.00 C ATOM 114 CG GLU A 8 -2.281 1.374 4.972 1.00 0.00 C ATOM 115 CD GLU A 8 -1.589 1.862 6.247 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.250 3.032 6.302 1.00 0.00 O ATOM 117 OE2 GLU A 8 -1.410 1.055 7.144 1.00 0.00 O ATOM 118 H GLU A 8 0.260 0.839 1.975 1.00 0.00 H ATOM 119 HA GLU A 8 0.268 0.227 4.765 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.675 2.279 3.870 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.819 1.372 2.878 1.00 0.00 H ATOM 122 HG2 GLU A 8 -3.111 2.025 4.738 1.00 0.00 H ATOM 123 HG3 GLU A 8 -2.642 0.368 5.123 1.00 0.00 H ATOM 124 N GLU A 9 -1.562 -1.652 2.835 1.00 0.00 N ATOM 125 CA GLU A 9 -2.364 -2.905 2.814 1.00 0.00 C ATOM 126 C GLU A 9 -1.444 -4.105 3.038 1.00 0.00 C ATOM 127 O GLU A 9 -1.875 -5.168 3.438 1.00 0.00 O ATOM 128 CB GLU A 9 -2.985 -2.955 1.420 1.00 0.00 C ATOM 129 CG GLU A 9 -4.071 -1.884 1.309 1.00 0.00 C ATOM 130 CD GLU A 9 -5.445 -2.552 1.248 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.728 -3.187 0.246 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.190 -2.417 2.205 1.00 0.00 O ATOM 133 H GLU A 9 -1.281 -1.228 1.992 1.00 0.00 H ATOM 134 HA GLU A 9 -3.135 -2.873 3.567 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.220 -2.773 0.680 1.00 0.00 H ATOM 136 HB3 GLU A 9 -3.424 -3.928 1.256 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.023 -1.233 2.170 1.00 0.00 H ATOM 138 HG3 GLU A 9 -3.914 -1.305 0.412 1.00 0.00 H ATOM 139 N PHE A 10 -0.174 -3.938 2.789 1.00 0.00 N ATOM 140 CA PHE A 10 0.780 -5.063 2.994 1.00 0.00 C ATOM 141 C PHE A 10 1.361 -4.998 4.407 1.00 0.00 C ATOM 142 O PHE A 10 1.944 -5.947 4.894 1.00 0.00 O ATOM 143 CB PHE A 10 1.879 -4.854 1.952 1.00 0.00 C ATOM 144 CG PHE A 10 2.679 -6.126 1.808 1.00 0.00 C ATOM 145 CD1 PHE A 10 2.086 -7.264 1.251 1.00 0.00 C ATOM 146 CD2 PHE A 10 4.012 -6.169 2.236 1.00 0.00 C ATOM 147 CE1 PHE A 10 2.825 -8.445 1.119 1.00 0.00 C ATOM 148 CE2 PHE A 10 4.751 -7.351 2.104 1.00 0.00 C ATOM 149 CZ PHE A 10 4.157 -8.489 1.546 1.00 0.00 C ATOM 150 H PHE A 10 0.153 -3.068 2.472 1.00 0.00 H ATOM 151 HA PHE A 10 0.288 -6.008 2.830 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.433 -4.597 1.002 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.531 -4.055 2.272 1.00 0.00 H ATOM 154 HD1 PHE A 10 1.057 -7.231 0.921 1.00 0.00 H ATOM 155 HD2 PHE A 10 4.469 -5.291 2.666 1.00 0.00 H ATOM 156 HE1 PHE A 10 2.366 -9.323 0.687 1.00 0.00 H ATOM 157 HE2 PHE A 10 5.778 -7.385 2.434 1.00 0.00 H ATOM 158 HZ PHE A 10 4.727 -9.400 1.444 1.00 0.00 H ATOM 159 N LEU A 11 1.208 -3.882 5.066 1.00 0.00 N ATOM 160 CA LEU A 11 1.752 -3.752 6.448 1.00 0.00 C ATOM 161 C LEU A 11 1.424 -5.001 7.269 1.00 0.00 C ATOM 162 O LEU A 11 0.635 -5.828 6.858 1.00 0.00 O ATOM 163 CB LEU A 11 1.052 -2.528 7.037 1.00 0.00 C ATOM 164 CG LEU A 11 2.010 -1.337 7.018 1.00 0.00 C ATOM 165 CD1 LEU A 11 1.268 -0.076 7.460 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.172 -1.605 7.977 1.00 0.00 C ATOM 167 H LEU A 11 0.734 -3.130 4.652 1.00 0.00 H ATOM 168 HA LEU A 11 2.817 -3.588 6.421 1.00 0.00 H ATOM 169 HB2 LEU A 11 0.176 -2.297 6.449 1.00 0.00 H ATOM 170 HB3 LEU A 11 0.759 -2.736 8.055 1.00 0.00 H ATOM 171 HG LEU A 11 2.392 -1.197 6.017 1.00 0.00 H ATOM 172 HD11 LEU A 11 0.368 -0.354 7.990 1.00 0.00 H ATOM 173 HD12 LEU A 11 1.007 0.512 6.591 1.00 0.00 H ATOM 174 HD13 LEU A 11 1.904 0.506 8.111 1.00 0.00 H ATOM 175 HD21 LEU A 11 3.875 -2.279 7.511 1.00 0.00 H ATOM 176 HD22 LEU A 11 2.795 -2.049 8.886 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.668 -0.673 8.211 1.00 0.00 H HETATM 178 N NH2 A 12 2.002 -5.174 8.426 1.00 0.00 N HETATM 179 HN1 NH2 A 12 2.638 -4.506 8.758 1.00 0.00 H HETATM 180 HN2 NH2 A 12 1.800 -5.970 8.961 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 28 HETATM 1 C ACE A 1 -0.337 5.771 -3.947 1.00 0.00 C HETATM 2 O ACE A 1 -0.627 5.202 -2.911 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.253 7.183 -3.940 1.00 0.00 C HETATM 4 H1 ACE A 1 0.346 7.529 -2.920 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.397 7.849 -4.488 1.00 0.00 H HETATM 6 H3 ACE A 1 1.228 7.167 -4.404 1.00 0.00 H ATOM 7 N LEU A 2 -0.505 5.195 -5.107 1.00 0.00 N ATOM 8 CA LEU A 2 -1.067 3.818 -5.171 1.00 0.00 C ATOM 9 C LEU A 2 -0.083 2.847 -4.527 1.00 0.00 C ATOM 10 O LEU A 2 -0.459 1.825 -3.987 1.00 0.00 O ATOM 11 CB LEU A 2 -1.232 3.516 -6.660 1.00 0.00 C ATOM 12 CG LEU A 2 -2.124 2.286 -6.834 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.123 2.535 -7.964 1.00 0.00 C ATOM 14 CD2 LEU A 2 -1.258 1.073 -7.181 1.00 0.00 C ATOM 15 H LEU A 2 -0.256 5.663 -5.928 1.00 0.00 H ATOM 16 HA LEU A 2 -2.022 3.775 -4.672 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.688 4.365 -7.150 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.265 3.323 -7.099 1.00 0.00 H ATOM 19 HG LEU A 2 -2.660 2.097 -5.914 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.959 1.859 -7.861 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.641 2.369 -8.914 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.478 3.554 -7.912 1.00 0.00 H ATOM 23 HD21 LEU A 2 -1.562 0.677 -8.138 1.00 0.00 H ATOM 24 HD22 LEU A 2 -1.380 0.313 -6.422 1.00 0.00 H ATOM 25 HD23 LEU A 2 -0.221 1.371 -7.227 1.00 0.00 H ATOM 26 N VAL A 3 1.178 3.173 -4.562 1.00 0.00 N ATOM 27 CA VAL A 3 2.189 2.284 -3.930 1.00 0.00 C ATOM 28 C VAL A 3 2.075 2.409 -2.412 1.00 0.00 C ATOM 29 O VAL A 3 2.363 1.488 -1.673 1.00 0.00 O ATOM 30 CB VAL A 3 3.542 2.796 -4.421 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.660 2.558 -5.927 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.657 4.295 -4.132 1.00 0.00 C ATOM 33 H VAL A 3 1.456 4.013 -4.988 1.00 0.00 H ATOM 34 HA VAL A 3 2.041 1.261 -4.240 1.00 0.00 H ATOM 35 HB VAL A 3 4.334 2.268 -3.910 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.698 2.414 -6.190 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.270 3.412 -6.460 1.00 0.00 H ATOM 38 HG13 VAL A 3 3.097 1.677 -6.198 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.697 4.560 -4.014 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.120 4.529 -3.225 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.235 4.853 -4.955 1.00 0.00 H ATOM 42 N GLY A 4 1.627 3.543 -1.945 1.00 0.00 N ATOM 43 CA GLY A 4 1.463 3.734 -0.479 1.00 0.00 C ATOM 44 C GLY A 4 0.206 2.988 -0.044 1.00 0.00 C ATOM 45 O GLY A 4 0.178 2.338 0.980 1.00 0.00 O ATOM 46 H GLY A 4 1.380 4.263 -2.562 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.324 3.333 0.038 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.355 4.784 -0.255 1.00 0.00 H ATOM 49 N ARG A 5 -0.833 3.063 -0.831 1.00 0.00 N ATOM 50 CA ARG A 5 -2.084 2.338 -0.480 1.00 0.00 C ATOM 51 C ARG A 5 -1.795 0.836 -0.431 1.00 0.00 C ATOM 52 O ARG A 5 -2.157 0.146 0.505 1.00 0.00 O ATOM 53 CB ARG A 5 -3.060 2.662 -1.613 1.00 0.00 C ATOM 54 CG ARG A 5 -4.458 2.163 -1.246 1.00 0.00 C ATOM 55 CD ARG A 5 -5.009 2.991 -0.084 1.00 0.00 C ATOM 56 NE ARG A 5 -6.388 2.472 0.138 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.588 1.487 0.970 1.00 0.00 C ATOM 58 NH1 ARG A 5 -5.606 0.685 1.280 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.770 1.304 1.493 1.00 0.00 N ATOM 60 H ARG A 5 -0.782 3.583 -1.663 1.00 0.00 H ATOM 61 HA ARG A 5 -2.476 2.684 0.464 1.00 0.00 H ATOM 62 HB2 ARG A 5 -3.087 3.731 -1.769 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.733 2.174 -2.518 1.00 0.00 H ATOM 64 HG2 ARG A 5 -5.111 2.265 -2.102 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.406 1.125 -0.954 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.402 2.846 0.800 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.045 4.036 -0.349 1.00 0.00 H ATOM 68 HE ARG A 5 -7.143 2.871 -0.343 1.00 0.00 H ATOM 69 HH11 ARG A 5 -4.700 0.824 0.879 1.00 0.00 H ATOM 70 HH12 ARG A 5 -5.759 -0.070 1.918 1.00 0.00 H ATOM 71 HH21 ARG A 5 -8.522 1.919 1.256 1.00 0.00 H ATOM 72 HH22 ARG A 5 -7.923 0.548 2.130 1.00 0.00 H ATOM 73 N GLN A 6 -1.129 0.328 -1.434 1.00 0.00 N ATOM 74 CA GLN A 6 -0.799 -1.124 -1.448 1.00 0.00 C ATOM 75 C GLN A 6 0.110 -1.453 -0.263 1.00 0.00 C ATOM 76 O GLN A 6 -0.118 -2.399 0.465 1.00 0.00 O ATOM 77 CB GLN A 6 -0.069 -1.353 -2.772 1.00 0.00 C ATOM 78 CG GLN A 6 -0.993 -2.092 -3.744 1.00 0.00 C ATOM 79 CD GLN A 6 -0.736 -3.597 -3.650 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.036 -4.042 -2.825 1.00 0.00 O ATOM 81 NE2 GLN A 6 -1.355 -4.406 -4.466 1.00 0.00 N ATOM 82 H GLN A 6 -0.837 0.906 -2.170 1.00 0.00 H ATOM 83 HA GLN A 6 -1.699 -1.716 -1.412 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.213 -0.400 -3.197 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.816 -1.948 -2.599 1.00 0.00 H ATOM 86 HG2 GLN A 6 -2.022 -1.884 -3.490 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.796 -1.757 -4.753 1.00 0.00 H ATOM 88 HE21 GLN A 6 -1.979 -4.047 -5.131 1.00 0.00 H ATOM 89 HE22 GLN A 6 -1.197 -5.371 -4.413 1.00 0.00 H ATOM 90 N LEU A 7 1.136 -0.670 -0.058 1.00 0.00 N ATOM 91 CA LEU A 7 2.051 -0.932 1.087 1.00 0.00 C ATOM 92 C LEU A 7 1.266 -0.872 2.397 1.00 0.00 C ATOM 93 O LEU A 7 1.488 -1.650 3.303 1.00 0.00 O ATOM 94 CB LEU A 7 3.093 0.186 1.031 1.00 0.00 C ATOM 95 CG LEU A 7 4.349 -0.321 0.323 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.067 -1.330 1.220 1.00 0.00 C ATOM 97 CD2 LEU A 7 3.954 -1.000 -0.990 1.00 0.00 C ATOM 98 H LEU A 7 1.299 0.093 -0.653 1.00 0.00 H ATOM 99 HA LEU A 7 2.527 -1.891 0.978 1.00 0.00 H ATOM 100 HB2 LEU A 7 2.687 1.028 0.489 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.347 0.492 2.034 1.00 0.00 H ATOM 102 HG LEU A 7 5.008 0.511 0.118 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.938 -1.048 2.254 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.120 -1.340 0.979 1.00 0.00 H ATOM 105 HD13 LEU A 7 4.651 -2.314 1.060 1.00 0.00 H ATOM 106 HD21 LEU A 7 3.502 -0.273 -1.649 1.00 0.00 H ATOM 107 HD22 LEU A 7 3.246 -1.790 -0.788 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.832 -1.415 -1.459 1.00 0.00 H ATOM 109 N GLU A 8 0.338 0.039 2.496 1.00 0.00 N ATOM 110 CA GLU A 8 -0.469 0.138 3.739 1.00 0.00 C ATOM 111 C GLU A 8 -1.326 -1.117 3.868 1.00 0.00 C ATOM 112 O GLU A 8 -1.649 -1.557 4.954 1.00 0.00 O ATOM 113 CB GLU A 8 -1.345 1.379 3.559 1.00 0.00 C ATOM 114 CG GLU A 8 -1.862 1.844 4.922 1.00 0.00 C ATOM 115 CD GLU A 8 -3.160 1.107 5.257 1.00 0.00 C ATOM 116 OE1 GLU A 8 -3.476 0.158 4.557 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.817 1.502 6.206 1.00 0.00 O ATOM 118 H GLU A 8 0.167 0.647 1.750 1.00 0.00 H ATOM 119 HA GLU A 8 0.170 0.249 4.599 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.761 2.168 3.105 1.00 0.00 H ATOM 121 HB3 GLU A 8 -2.183 1.139 2.922 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.121 1.631 5.679 1.00 0.00 H ATOM 123 HG3 GLU A 8 -2.052 2.906 4.893 1.00 0.00 H ATOM 124 N GLU A 9 -1.679 -1.707 2.760 1.00 0.00 N ATOM 125 CA GLU A 9 -2.498 -2.949 2.814 1.00 0.00 C ATOM 126 C GLU A 9 -1.586 -4.142 3.105 1.00 0.00 C ATOM 127 O GLU A 9 -2.018 -5.165 3.597 1.00 0.00 O ATOM 128 CB GLU A 9 -3.130 -3.077 1.428 1.00 0.00 C ATOM 129 CG GLU A 9 -3.788 -4.452 1.293 1.00 0.00 C ATOM 130 CD GLU A 9 -2.882 -5.377 0.477 1.00 0.00 C ATOM 131 OE1 GLU A 9 -1.789 -5.664 0.939 1.00 0.00 O ATOM 132 OE2 GLU A 9 -3.296 -5.783 -0.597 1.00 0.00 O ATOM 133 H GLU A 9 -1.392 -1.339 1.893 1.00 0.00 H ATOM 134 HA GLU A 9 -3.265 -2.865 3.567 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.876 -2.306 1.301 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.368 -2.970 0.673 1.00 0.00 H ATOM 137 HG2 GLU A 9 -3.941 -4.875 2.277 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.739 -4.349 0.793 1.00 0.00 H ATOM 139 N PHE A 10 -0.321 -4.007 2.811 1.00 0.00 N ATOM 140 CA PHE A 10 0.636 -5.120 3.076 1.00 0.00 C ATOM 141 C PHE A 10 1.414 -4.838 4.365 1.00 0.00 C ATOM 142 O PHE A 10 2.193 -5.650 4.822 1.00 0.00 O ATOM 143 CB PHE A 10 1.578 -5.133 1.871 1.00 0.00 C ATOM 144 CG PHE A 10 2.470 -6.352 1.939 1.00 0.00 C ATOM 145 CD1 PHE A 10 3.693 -6.287 2.617 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.073 -7.546 1.325 1.00 0.00 C ATOM 147 CE1 PHE A 10 4.519 -7.415 2.681 1.00 0.00 C ATOM 148 CE2 PHE A 10 2.898 -8.674 1.389 1.00 0.00 C ATOM 149 CZ PHE A 10 4.121 -8.609 2.067 1.00 0.00 C ATOM 150 H PHE A 10 0.003 -3.166 2.423 1.00 0.00 H ATOM 151 HA PHE A 10 0.112 -6.060 3.148 1.00 0.00 H ATOM 152 HB2 PHE A 10 0.998 -5.162 0.960 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.188 -4.242 1.881 1.00 0.00 H ATOM 154 HD1 PHE A 10 4.000 -5.365 3.090 1.00 0.00 H ATOM 155 HD2 PHE A 10 1.129 -7.596 0.802 1.00 0.00 H ATOM 156 HE1 PHE A 10 5.463 -7.365 3.204 1.00 0.00 H ATOM 157 HE2 PHE A 10 2.592 -9.595 0.914 1.00 0.00 H ATOM 158 HZ PHE A 10 4.758 -9.479 2.116 1.00 0.00 H ATOM 159 N LEU A 11 1.211 -3.688 4.950 1.00 0.00 N ATOM 160 CA LEU A 11 1.938 -3.348 6.205 1.00 0.00 C ATOM 161 C LEU A 11 1.545 -1.945 6.680 1.00 0.00 C ATOM 162 O LEU A 11 2.340 -1.238 7.265 1.00 0.00 O ATOM 163 CB LEU A 11 3.419 -3.391 5.827 1.00 0.00 C ATOM 164 CG LEU A 11 4.220 -3.999 6.977 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.573 -4.490 6.458 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.443 -2.938 8.056 1.00 0.00 C ATOM 167 H LEU A 11 0.579 -3.046 4.561 1.00 0.00 H ATOM 168 HA LEU A 11 1.732 -4.078 6.971 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.546 -3.993 4.939 1.00 0.00 H ATOM 170 HB3 LEU A 11 3.772 -2.388 5.636 1.00 0.00 H ATOM 171 HG LEU A 11 3.672 -4.831 7.396 1.00 0.00 H ATOM 172 HD11 LEU A 11 6.323 -3.732 6.632 1.00 0.00 H ATOM 173 HD12 LEU A 11 5.502 -4.687 5.398 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.851 -5.396 6.975 1.00 0.00 H ATOM 175 HD21 LEU A 11 4.827 -2.037 7.601 1.00 0.00 H ATOM 176 HD22 LEU A 11 5.151 -3.305 8.784 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.504 -2.721 8.546 1.00 0.00 H HETATM 178 N NH2 A 12 0.336 -1.509 6.448 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.308 -2.078 5.976 1.00 0.00 H HETATM 180 HN2 NH2 A 12 0.072 -0.613 6.745 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 29 HETATM 1 C ACE A 1 -0.665 5.814 -3.837 1.00 0.00 C HETATM 2 O ACE A 1 -0.774 5.270 -2.756 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.191 7.263 -3.948 1.00 0.00 C HETATM 4 H1 ACE A 1 0.878 7.282 -4.099 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.435 7.790 -3.038 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.683 7.740 -4.782 1.00 0.00 H ATOM 7 N LEU A 2 -0.940 5.180 -4.943 1.00 0.00 N ATOM 8 CA LEU A 2 -1.399 3.764 -4.885 1.00 0.00 C ATOM 9 C LEU A 2 -0.256 2.887 -4.385 1.00 0.00 C ATOM 10 O LEU A 2 -0.466 1.869 -3.757 1.00 0.00 O ATOM 11 CB LEU A 2 -1.789 3.406 -6.319 1.00 0.00 C ATOM 12 CG LEU A 2 -2.458 2.031 -6.343 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.803 2.101 -5.618 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.689 1.606 -7.795 1.00 0.00 C ATOM 15 H LEU A 2 -0.840 5.629 -5.806 1.00 0.00 H ATOM 16 HA LEU A 2 -2.252 3.675 -4.232 1.00 0.00 H ATOM 17 HB2 LEU A 2 -2.478 4.148 -6.696 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.907 3.386 -6.938 1.00 0.00 H ATOM 19 HG LEU A 2 -1.820 1.311 -5.852 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.913 3.071 -5.156 1.00 0.00 H ATOM 21 HD12 LEU A 2 -3.843 1.334 -4.857 1.00 0.00 H ATOM 22 HD13 LEU A 2 -4.602 1.947 -6.327 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.166 0.637 -7.816 1.00 0.00 H ATOM 24 HD22 LEU A 2 -1.742 1.552 -8.309 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.324 2.331 -8.285 1.00 0.00 H ATOM 26 N VAL A 3 0.958 3.298 -4.630 1.00 0.00 N ATOM 27 CA VAL A 3 2.121 2.513 -4.138 1.00 0.00 C ATOM 28 C VAL A 3 2.100 2.542 -2.611 1.00 0.00 C ATOM 29 O VAL A 3 2.416 1.570 -1.945 1.00 0.00 O ATOM 30 CB VAL A 3 3.344 3.248 -4.686 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.622 2.562 -4.205 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.301 3.230 -6.217 1.00 0.00 C ATOM 33 H VAL A 3 1.100 4.137 -5.116 1.00 0.00 H ATOM 34 HA VAL A 3 2.088 1.499 -4.508 1.00 0.00 H ATOM 35 HB VAL A 3 3.333 4.271 -4.338 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.248 2.331 -5.053 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.369 1.650 -3.684 1.00 0.00 H ATOM 38 HG13 VAL A 3 5.153 3.223 -3.535 1.00 0.00 H ATOM 39 HG21 VAL A 3 2.280 3.107 -6.547 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.900 2.410 -6.584 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.692 4.162 -6.599 1.00 0.00 H ATOM 42 N GLY A 4 1.690 3.653 -2.057 1.00 0.00 N ATOM 43 CA GLY A 4 1.603 3.761 -0.576 1.00 0.00 C ATOM 44 C GLY A 4 0.412 2.928 -0.117 1.00 0.00 C ATOM 45 O GLY A 4 0.491 2.178 0.832 1.00 0.00 O ATOM 46 H GLY A 4 1.411 4.406 -2.622 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.512 3.384 -0.128 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.452 4.792 -0.291 1.00 0.00 H ATOM 49 N ARG A 5 -0.689 3.039 -0.809 1.00 0.00 N ATOM 50 CA ARG A 5 -1.887 2.237 -0.439 1.00 0.00 C ATOM 51 C ARG A 5 -1.532 0.750 -0.489 1.00 0.00 C ATOM 52 O ARG A 5 -1.968 -0.032 0.331 1.00 0.00 O ATOM 53 CB ARG A 5 -2.931 2.579 -1.505 1.00 0.00 C ATOM 54 CG ARG A 5 -4.101 1.598 -1.415 1.00 0.00 C ATOM 55 CD ARG A 5 -5.045 2.036 -0.295 1.00 0.00 C ATOM 56 NE ARG A 5 -6.238 2.588 -0.995 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.218 3.810 -1.456 1.00 0.00 C ATOM 58 NH1 ARG A 5 -5.646 4.758 -0.765 1.00 0.00 N ATOM 59 NH2 ARG A 5 -6.769 4.083 -2.608 1.00 0.00 N ATOM 60 H ARG A 5 -0.723 3.640 -1.582 1.00 0.00 H ATOM 61 HA ARG A 5 -2.247 2.515 0.540 1.00 0.00 H ATOM 62 HB2 ARG A 5 -3.292 3.585 -1.345 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.482 2.510 -2.485 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.636 1.589 -2.354 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.729 0.608 -1.204 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.322 1.186 0.316 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.581 2.800 0.308 1.00 0.00 H ATOM 68 HE ARG A 5 -7.037 2.034 -1.111 1.00 0.00 H ATOM 69 HH11 ARG A 5 -5.221 4.549 0.116 1.00 0.00 H ATOM 70 HH12 ARG A 5 -5.631 5.694 -1.116 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.204 3.357 -3.139 1.00 0.00 H ATOM 72 HH22 ARG A 5 -6.758 5.020 -2.957 1.00 0.00 H ATOM 73 N GLN A 6 -0.736 0.359 -1.448 1.00 0.00 N ATOM 74 CA GLN A 6 -0.341 -1.073 -1.559 1.00 0.00 C ATOM 75 C GLN A 6 0.510 -1.471 -0.351 1.00 0.00 C ATOM 76 O GLN A 6 0.159 -2.358 0.407 1.00 0.00 O ATOM 77 CB GLN A 6 0.483 -1.157 -2.845 1.00 0.00 C ATOM 78 CG GLN A 6 0.120 -2.434 -3.606 1.00 0.00 C ATOM 79 CD GLN A 6 -1.357 -2.396 -3.999 1.00 0.00 C ATOM 80 OE1 GLN A 6 -1.968 -1.346 -4.022 1.00 0.00 O ATOM 81 NE2 GLN A 6 -1.961 -3.509 -4.313 1.00 0.00 N ATOM 82 H GLN A 6 -0.395 1.010 -2.094 1.00 0.00 H ATOM 83 HA GLN A 6 -1.213 -1.702 -1.634 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.273 -0.296 -3.464 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.534 -1.175 -2.599 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.728 -2.507 -4.495 1.00 0.00 H ATOM 87 HG3 GLN A 6 0.301 -3.291 -2.975 1.00 0.00 H ATOM 88 HE21 GLN A 6 -1.468 -4.356 -4.294 1.00 0.00 H ATOM 89 HE22 GLN A 6 -2.906 -3.497 -4.569 1.00 0.00 H ATOM 90 N LEU A 7 1.624 -0.817 -0.160 1.00 0.00 N ATOM 91 CA LEU A 7 2.488 -1.160 1.004 1.00 0.00 C ATOM 92 C LEU A 7 1.679 -1.053 2.298 1.00 0.00 C ATOM 93 O LEU A 7 1.820 -1.855 3.203 1.00 0.00 O ATOM 94 CB LEU A 7 3.619 -0.130 0.978 1.00 0.00 C ATOM 95 CG LEU A 7 4.863 -0.758 0.346 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.408 0.165 -0.745 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.932 -0.960 1.420 1.00 0.00 C ATOM 98 H LEU A 7 1.889 -0.099 -0.779 1.00 0.00 H ATOM 99 HA LEU A 7 2.888 -2.154 0.894 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.311 0.728 0.396 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.847 0.182 1.986 1.00 0.00 H ATOM 102 HG LEU A 7 4.601 -1.713 -0.088 1.00 0.00 H ATOM 103 HD11 LEU A 7 6.449 -0.062 -0.921 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.313 1.193 -0.427 1.00 0.00 H ATOM 105 HD13 LEU A 7 4.848 0.016 -1.657 1.00 0.00 H ATOM 106 HD21 LEU A 7 6.829 -0.431 1.138 1.00 0.00 H ATOM 107 HD22 LEU A 7 6.151 -2.013 1.518 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.571 -0.579 2.364 1.00 0.00 H ATOM 109 N GLU A 8 0.818 -0.079 2.387 1.00 0.00 N ATOM 110 CA GLU A 8 -0.009 0.066 3.614 1.00 0.00 C ATOM 111 C GLU A 8 -1.033 -1.061 3.663 1.00 0.00 C ATOM 112 O GLU A 8 -1.494 -1.452 4.716 1.00 0.00 O ATOM 113 CB GLU A 8 -0.700 1.423 3.482 1.00 0.00 C ATOM 114 CG GLU A 8 0.351 2.534 3.434 1.00 0.00 C ATOM 115 CD GLU A 8 0.321 3.324 4.743 1.00 0.00 C ATOM 116 OE1 GLU A 8 0.654 2.751 5.767 1.00 0.00 O ATOM 117 OE2 GLU A 8 -0.030 4.492 4.699 1.00 0.00 O ATOM 118 H GLU A 8 0.707 0.546 1.643 1.00 0.00 H ATOM 119 HA GLU A 8 0.615 0.047 4.492 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.285 1.441 2.574 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.349 1.581 4.330 1.00 0.00 H ATOM 122 HG2 GLU A 8 1.331 2.097 3.299 1.00 0.00 H ATOM 123 HG3 GLU A 8 0.137 3.199 2.612 1.00 0.00 H ATOM 124 N GLU A 9 -1.380 -1.601 2.529 1.00 0.00 N ATOM 125 CA GLU A 9 -2.357 -2.719 2.522 1.00 0.00 C ATOM 126 C GLU A 9 -1.665 -3.970 3.046 1.00 0.00 C ATOM 127 O GLU A 9 -2.272 -4.823 3.663 1.00 0.00 O ATOM 128 CB GLU A 9 -2.774 -2.893 1.062 1.00 0.00 C ATOM 129 CG GLU A 9 -4.300 -2.887 0.966 1.00 0.00 C ATOM 130 CD GLU A 9 -4.744 -3.763 -0.205 1.00 0.00 C ATOM 131 OE1 GLU A 9 -3.881 -4.226 -0.933 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.939 -3.959 -0.353 1.00 0.00 O ATOM 133 H GLU A 9 -0.985 -1.284 1.687 1.00 0.00 H ATOM 134 HA GLU A 9 -3.212 -2.475 3.132 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.370 -2.082 0.473 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.395 -3.832 0.688 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.719 -3.273 1.884 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.648 -1.876 0.809 1.00 0.00 H ATOM 139 N PHE A 10 -0.383 -4.069 2.824 1.00 0.00 N ATOM 140 CA PHE A 10 0.369 -5.249 3.331 1.00 0.00 C ATOM 141 C PHE A 10 0.795 -4.981 4.773 1.00 0.00 C ATOM 142 O PHE A 10 1.093 -5.883 5.529 1.00 0.00 O ATOM 143 CB PHE A 10 1.592 -5.369 2.422 1.00 0.00 C ATOM 144 CG PHE A 10 1.427 -6.556 1.503 1.00 0.00 C ATOM 145 CD1 PHE A 10 0.944 -7.772 2.005 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.758 -6.441 0.148 1.00 0.00 C ATOM 147 CE1 PHE A 10 0.792 -8.871 1.149 1.00 0.00 C ATOM 148 CE2 PHE A 10 1.607 -7.540 -0.707 1.00 0.00 C ATOM 149 CZ PHE A 10 1.124 -8.754 -0.206 1.00 0.00 C ATOM 150 H PHE A 10 0.090 -3.353 2.340 1.00 0.00 H ATOM 151 HA PHE A 10 -0.234 -6.141 3.271 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.692 -4.469 1.833 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.477 -5.502 3.026 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.689 -7.862 3.050 1.00 0.00 H ATOM 155 HD2 PHE A 10 2.132 -5.504 -0.238 1.00 0.00 H ATOM 156 HE1 PHE A 10 0.421 -9.808 1.535 1.00 0.00 H ATOM 157 HE2 PHE A 10 1.864 -7.451 -1.752 1.00 0.00 H ATOM 158 HZ PHE A 10 1.006 -9.603 -0.865 1.00 0.00 H ATOM 159 N LEU A 11 0.817 -3.733 5.155 1.00 0.00 N ATOM 160 CA LEU A 11 1.216 -3.383 6.546 1.00 0.00 C ATOM 161 C LEU A 11 0.017 -3.520 7.489 1.00 0.00 C ATOM 162 O LEU A 11 -0.895 -4.283 7.233 1.00 0.00 O ATOM 163 CB LEU A 11 1.670 -1.925 6.466 1.00 0.00 C ATOM 164 CG LEU A 11 3.161 -1.827 6.801 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.936 -2.919 6.060 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.686 -0.456 6.372 1.00 0.00 C ATOM 167 H LEU A 11 0.567 -3.023 4.523 1.00 0.00 H ATOM 168 HA LEU A 11 2.031 -4.007 6.877 1.00 0.00 H ATOM 169 HB2 LEU A 11 1.499 -1.552 5.466 1.00 0.00 H ATOM 170 HB3 LEU A 11 1.105 -1.335 7.172 1.00 0.00 H ATOM 171 HG LEU A 11 3.299 -1.948 7.866 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.944 -2.580 5.873 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.447 -3.134 5.121 1.00 0.00 H ATOM 174 HD13 LEU A 11 3.963 -3.814 6.664 1.00 0.00 H ATOM 175 HD21 LEU A 11 4.760 -0.502 6.258 1.00 0.00 H ATOM 176 HD22 LEU A 11 3.435 0.277 7.124 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.235 -0.176 5.431 1.00 0.00 H HETATM 178 N NH2 A 12 -0.021 -2.808 8.581 1.00 0.00 N HETATM 179 HN1 NH2 A 12 0.711 -2.192 8.789 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.782 -2.890 9.192 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 30 HETATM 1 C ACE A 1 -0.384 5.635 -4.167 1.00 0.00 C HETATM 2 O ACE A 1 -0.895 5.165 -3.167 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.242 7.031 -4.161 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.516 7.768 -4.387 1.00 0.00 H HETATM 5 H2 ACE A 1 1.022 7.079 -4.906 1.00 0.00 H HETATM 6 H3 ACE A 1 0.662 7.234 -3.187 1.00 0.00 H ATOM 7 N LEU A 2 -0.340 4.961 -5.285 1.00 0.00 N ATOM 8 CA LEU A 2 -0.925 3.595 -5.350 1.00 0.00 C ATOM 9 C LEU A 2 -0.072 2.644 -4.517 1.00 0.00 C ATOM 10 O LEU A 2 -0.577 1.817 -3.783 1.00 0.00 O ATOM 11 CB LEU A 2 -0.877 3.210 -6.828 1.00 0.00 C ATOM 12 CG LEU A 2 -2.073 2.321 -7.162 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.156 3.156 -7.848 1.00 0.00 C ATOM 14 CD2 LEU A 2 -1.624 1.200 -8.101 1.00 0.00 C ATOM 15 H LEU A 2 0.086 5.350 -6.076 1.00 0.00 H ATOM 16 HA LEU A 2 -1.944 3.600 -4.998 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.910 4.104 -7.433 1.00 0.00 H ATOM 18 HB3 LEU A 2 0.037 2.672 -7.030 1.00 0.00 H ATOM 19 HG LEU A 2 -2.470 1.894 -6.252 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.887 4.201 -7.800 1.00 0.00 H ATOM 21 HD12 LEU A 2 -4.100 3.004 -7.346 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.243 2.853 -8.881 1.00 0.00 H ATOM 23 HD21 LEU A 2 -0.604 0.928 -7.875 1.00 0.00 H ATOM 24 HD22 LEU A 2 -1.689 1.540 -9.124 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.263 0.340 -7.965 1.00 0.00 H ATOM 26 N VAL A 3 1.220 2.770 -4.615 1.00 0.00 N ATOM 27 CA VAL A 3 2.115 1.891 -3.815 1.00 0.00 C ATOM 28 C VAL A 3 2.007 2.279 -2.342 1.00 0.00 C ATOM 29 O VAL A 3 2.275 1.491 -1.457 1.00 0.00 O ATOM 30 CB VAL A 3 3.522 2.163 -4.346 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.555 1.917 -5.856 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.902 3.618 -4.057 1.00 0.00 C ATOM 33 H VAL A 3 1.600 3.457 -5.205 1.00 0.00 H ATOM 34 HA VAL A 3 1.855 0.853 -3.957 1.00 0.00 H ATOM 35 HB VAL A 3 4.225 1.501 -3.860 1.00 0.00 H ATOM 36 HG11 VAL A 3 3.066 0.979 -6.079 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.579 1.878 -6.194 1.00 0.00 H ATOM 38 HG13 VAL A 3 3.038 2.720 -6.362 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.872 3.829 -4.484 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.939 3.774 -2.988 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.167 4.276 -4.492 1.00 0.00 H ATOM 42 N GLY A 4 1.596 3.491 -2.078 1.00 0.00 N ATOM 43 CA GLY A 4 1.448 3.936 -0.668 1.00 0.00 C ATOM 44 C GLY A 4 0.227 3.243 -0.079 1.00 0.00 C ATOM 45 O GLY A 4 0.282 2.665 0.989 1.00 0.00 O ATOM 46 H GLY A 4 1.368 4.101 -2.809 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.331 3.665 -0.107 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.305 5.004 -0.634 1.00 0.00 H ATOM 49 N ARG A 5 -0.871 3.276 -0.780 1.00 0.00 N ATOM 50 CA ARG A 5 -2.087 2.591 -0.264 1.00 0.00 C ATOM 51 C ARG A 5 -1.819 1.088 -0.210 1.00 0.00 C ATOM 52 O ARG A 5 -2.129 0.419 0.760 1.00 0.00 O ATOM 53 CB ARG A 5 -3.189 2.910 -1.270 1.00 0.00 C ATOM 54 CG ARG A 5 -4.515 2.344 -0.762 1.00 0.00 C ATOM 55 CD ARG A 5 -4.816 1.026 -1.479 1.00 0.00 C ATOM 56 NE ARG A 5 -5.048 1.411 -2.899 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.247 1.333 -3.408 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.151 2.219 -3.090 1.00 0.00 N ATOM 59 NH2 ARG A 5 -6.542 0.371 -4.237 1.00 0.00 N ATOM 60 H ARG A 5 -0.889 3.736 -1.653 1.00 0.00 H ATOM 61 HA ARG A 5 -2.351 2.968 0.713 1.00 0.00 H ATOM 62 HB2 ARG A 5 -3.273 3.982 -1.386 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.950 2.462 -2.223 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.446 2.168 0.303 1.00 0.00 H ATOM 65 HG3 ARG A 5 -5.308 3.050 -0.960 1.00 0.00 H ATOM 66 HD2 ARG A 5 -3.971 0.355 -1.401 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.703 0.569 -1.070 1.00 0.00 H ATOM 68 HE ARG A 5 -4.301 1.724 -3.450 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.924 2.958 -2.456 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.069 2.160 -3.481 1.00 0.00 H ATOM 71 HH21 ARG A 5 -5.849 -0.307 -4.484 1.00 0.00 H ATOM 72 HH22 ARG A 5 -7.461 0.313 -4.628 1.00 0.00 H ATOM 73 N GLN A 6 -1.221 0.556 -1.243 1.00 0.00 N ATOM 74 CA GLN A 6 -0.908 -0.898 -1.251 1.00 0.00 C ATOM 75 C GLN A 6 0.066 -1.204 -0.115 1.00 0.00 C ATOM 76 O GLN A 6 0.013 -2.252 0.497 1.00 0.00 O ATOM 77 CB GLN A 6 -0.258 -1.165 -2.611 1.00 0.00 C ATOM 78 CG GLN A 6 -1.127 -2.137 -3.413 1.00 0.00 C ATOM 79 CD GLN A 6 -0.879 -3.566 -2.927 1.00 0.00 C ATOM 80 OE1 GLN A 6 -1.695 -4.132 -2.229 1.00 0.00 O ATOM 81 NE2 GLN A 6 0.225 -4.176 -3.267 1.00 0.00 N ATOM 82 H GLN A 6 -0.966 1.117 -2.004 1.00 0.00 H ATOM 83 HA GLN A 6 -1.810 -1.480 -1.145 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.161 -0.236 -3.153 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.719 -1.599 -2.464 1.00 0.00 H ATOM 86 HG2 GLN A 6 -2.170 -1.884 -3.275 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.874 -2.066 -4.460 1.00 0.00 H ATOM 88 HE21 GLN A 6 0.884 -3.719 -3.829 1.00 0.00 H ATOM 89 HE22 GLN A 6 0.393 -5.092 -2.959 1.00 0.00 H ATOM 90 N LEU A 7 0.946 -0.286 0.183 1.00 0.00 N ATOM 91 CA LEU A 7 1.909 -0.519 1.291 1.00 0.00 C ATOM 92 C LEU A 7 1.144 -0.653 2.605 1.00 0.00 C ATOM 93 O LEU A 7 1.355 -1.574 3.368 1.00 0.00 O ATOM 94 CB LEU A 7 2.816 0.714 1.315 1.00 0.00 C ATOM 95 CG LEU A 7 3.810 0.608 2.479 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.330 -0.828 2.595 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.985 1.554 2.227 1.00 0.00 C ATOM 98 H LEU A 7 0.964 0.559 -0.316 1.00 0.00 H ATOM 99 HA LEU A 7 2.491 -1.406 1.104 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.358 0.779 0.383 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.212 1.601 1.442 1.00 0.00 H ATOM 102 HG LEU A 7 3.316 0.885 3.398 1.00 0.00 H ATOM 103 HD11 LEU A 7 3.607 -1.431 3.124 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.266 -0.831 3.134 1.00 0.00 H ATOM 105 HD13 LEU A 7 4.482 -1.236 1.607 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.636 2.575 2.242 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.421 1.338 1.263 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.730 1.416 2.997 1.00 0.00 H ATOM 109 N GLU A 8 0.232 0.243 2.864 1.00 0.00 N ATOM 110 CA GLU A 8 -0.564 0.141 4.114 1.00 0.00 C ATOM 111 C GLU A 8 -1.332 -1.175 4.085 1.00 0.00 C ATOM 112 O GLU A 8 -1.607 -1.778 5.102 1.00 0.00 O ATOM 113 CB GLU A 8 -1.523 1.329 4.082 1.00 0.00 C ATOM 114 CG GLU A 8 -2.517 1.212 5.240 1.00 0.00 C ATOM 115 CD GLU A 8 -1.843 1.663 6.536 1.00 0.00 C ATOM 116 OE1 GLU A 8 -0.706 2.101 6.470 1.00 0.00 O ATOM 117 OE2 GLU A 8 -2.475 1.561 7.575 1.00 0.00 O ATOM 118 H GLU A 8 0.057 0.966 2.226 1.00 0.00 H ATOM 119 HA GLU A 8 0.075 0.193 4.982 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.963 2.247 4.177 1.00 0.00 H ATOM 121 HB3 GLU A 8 -2.063 1.331 3.147 1.00 0.00 H ATOM 122 HG2 GLU A 8 -3.374 1.838 5.042 1.00 0.00 H ATOM 123 HG3 GLU A 8 -2.835 0.186 5.339 1.00 0.00 H ATOM 124 N GLU A 9 -1.661 -1.629 2.906 1.00 0.00 N ATOM 125 CA GLU A 9 -2.394 -2.919 2.781 1.00 0.00 C ATOM 126 C GLU A 9 -1.388 -4.073 2.803 1.00 0.00 C ATOM 127 O GLU A 9 -1.738 -5.215 3.026 1.00 0.00 O ATOM 128 CB GLU A 9 -3.107 -2.841 1.430 1.00 0.00 C ATOM 129 CG GLU A 9 -4.503 -3.452 1.557 1.00 0.00 C ATOM 130 CD GLU A 9 -4.381 -4.931 1.925 1.00 0.00 C ATOM 131 OE1 GLU A 9 -3.469 -5.572 1.428 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.203 -5.399 2.695 1.00 0.00 O ATOM 133 H GLU A 9 -1.412 -1.123 2.100 1.00 0.00 H ATOM 134 HA GLU A 9 -3.115 -3.026 3.577 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.192 -1.806 1.127 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.542 -3.388 0.691 1.00 0.00 H ATOM 137 HG2 GLU A 9 -5.054 -2.933 2.328 1.00 0.00 H ATOM 138 HG3 GLU A 9 -5.025 -3.357 0.616 1.00 0.00 H ATOM 139 N PHE A 10 -0.136 -3.772 2.581 1.00 0.00 N ATOM 140 CA PHE A 10 0.908 -4.836 2.597 1.00 0.00 C ATOM 141 C PHE A 10 1.511 -4.951 3.999 1.00 0.00 C ATOM 142 O PHE A 10 2.156 -5.924 4.334 1.00 0.00 O ATOM 143 CB PHE A 10 1.968 -4.363 1.599 1.00 0.00 C ATOM 144 CG PHE A 10 2.380 -5.514 0.712 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.409 -6.242 0.015 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.733 -5.853 0.590 1.00 0.00 C ATOM 147 CE1 PHE A 10 1.791 -7.309 -0.806 1.00 0.00 C ATOM 148 CE2 PHE A 10 4.115 -6.921 -0.232 1.00 0.00 C ATOM 149 CZ PHE A 10 3.144 -7.649 -0.929 1.00 0.00 C ATOM 150 H PHE A 10 0.120 -2.841 2.411 1.00 0.00 H ATOM 151 HA PHE A 10 0.493 -5.781 2.280 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.563 -3.568 0.992 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.832 -4.000 2.137 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.365 -5.978 0.109 1.00 0.00 H ATOM 155 HD2 PHE A 10 4.483 -5.290 1.127 1.00 0.00 H ATOM 156 HE1 PHE A 10 1.042 -7.872 -1.343 1.00 0.00 H ATOM 157 HE2 PHE A 10 5.158 -7.183 -0.327 1.00 0.00 H ATOM 158 HZ PHE A 10 3.437 -8.473 -1.561 1.00 0.00 H ATOM 159 N LEU A 11 1.307 -3.954 4.819 1.00 0.00 N ATOM 160 CA LEU A 11 1.870 -3.992 6.200 1.00 0.00 C ATOM 161 C LEU A 11 0.816 -3.542 7.215 1.00 0.00 C ATOM 162 O LEU A 11 0.137 -4.353 7.812 1.00 0.00 O ATOM 163 CB LEU A 11 3.038 -3.008 6.170 1.00 0.00 C ATOM 164 CG LEU A 11 3.626 -2.861 7.574 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.731 -3.900 7.777 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.212 -1.456 7.730 1.00 0.00 C ATOM 167 H LEU A 11 0.785 -3.179 4.524 1.00 0.00 H ATOM 168 HA LEU A 11 2.226 -4.981 6.436 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.800 -3.377 5.498 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.688 -2.047 5.826 1.00 0.00 H ATOM 171 HG LEU A 11 2.848 -3.013 8.308 1.00 0.00 H ATOM 172 HD11 LEU A 11 5.547 -3.453 8.328 1.00 0.00 H ATOM 173 HD12 LEU A 11 5.087 -4.237 6.816 1.00 0.00 H ATOM 174 HD13 LEU A 11 4.340 -4.739 8.332 1.00 0.00 H ATOM 175 HD21 LEU A 11 5.291 -1.516 7.745 1.00 0.00 H ATOM 176 HD22 LEU A 11 3.864 -1.018 8.653 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.899 -0.840 6.898 1.00 0.00 H HETATM 178 N NH2 A 12 0.646 -2.265 7.435 1.00 0.00 N HETATM 179 HN1 NH2 A 12 1.193 -1.608 6.955 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.029 -1.965 8.078 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 31 HETATM 1 C ACE A 1 -0.956 5.713 -3.634 1.00 0.00 C HETATM 2 O ACE A 1 -1.487 5.030 -2.779 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.507 7.145 -3.338 1.00 0.00 C HETATM 4 H1 ACE A 1 -1.375 7.780 -3.231 1.00 0.00 H HETATM 5 H2 ACE A 1 0.105 7.506 -4.151 1.00 0.00 H HETATM 6 H3 ACE A 1 0.065 7.161 -2.422 1.00 0.00 H ATOM 7 N LEU A 2 -0.739 5.245 -4.833 1.00 0.00 N ATOM 8 CA LEU A 2 -1.148 3.852 -5.165 1.00 0.00 C ATOM 9 C LEU A 2 -0.140 2.884 -4.561 1.00 0.00 C ATOM 10 O LEU A 2 -0.486 1.978 -3.828 1.00 0.00 O ATOM 11 CB LEU A 2 -1.123 3.773 -6.694 1.00 0.00 C ATOM 12 CG LEU A 2 -1.444 2.343 -7.135 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.928 2.056 -6.898 1.00 0.00 C ATOM 14 CD2 LEU A 2 -1.127 2.184 -8.623 1.00 0.00 C ATOM 15 H LEU A 2 -0.299 5.801 -5.506 1.00 0.00 H ATOM 16 HA LEU A 2 -2.137 3.651 -4.793 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.858 4.452 -7.103 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.141 4.045 -7.054 1.00 0.00 H ATOM 19 HG LEU A 2 -0.848 1.648 -6.562 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.200 1.134 -7.389 1.00 0.00 H ATOM 21 HD12 LEU A 2 -3.518 2.866 -7.299 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.111 1.967 -5.838 1.00 0.00 H ATOM 23 HD21 LEU A 2 -1.269 3.129 -9.124 1.00 0.00 H ATOM 24 HD22 LEU A 2 -1.785 1.444 -9.055 1.00 0.00 H ATOM 25 HD23 LEU A 2 -0.102 1.865 -8.741 1.00 0.00 H ATOM 26 N VAL A 3 1.112 3.091 -4.846 1.00 0.00 N ATOM 27 CA VAL A 3 2.161 2.209 -4.275 1.00 0.00 C ATOM 28 C VAL A 3 2.171 2.384 -2.755 1.00 0.00 C ATOM 29 O VAL A 3 2.533 1.490 -2.008 1.00 0.00 O ATOM 30 CB VAL A 3 3.466 2.707 -4.897 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.657 2.063 -4.183 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.495 2.326 -6.380 1.00 0.00 C ATOM 33 H VAL A 3 1.361 3.845 -5.421 1.00 0.00 H ATOM 34 HA VAL A 3 1.986 1.180 -4.543 1.00 0.00 H ATOM 35 HB VAL A 3 3.526 3.782 -4.798 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.260 1.528 -4.901 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.296 1.376 -3.431 1.00 0.00 H ATOM 38 HG13 VAL A 3 5.254 2.829 -3.712 1.00 0.00 H ATOM 39 HG21 VAL A 3 2.593 2.675 -6.860 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.560 1.253 -6.474 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.353 2.781 -6.854 1.00 0.00 H ATOM 42 N GLY A 4 1.746 3.531 -2.299 1.00 0.00 N ATOM 43 CA GLY A 4 1.702 3.786 -0.833 1.00 0.00 C ATOM 44 C GLY A 4 0.544 2.991 -0.238 1.00 0.00 C ATOM 45 O GLY A 4 0.670 2.362 0.793 1.00 0.00 O ATOM 46 H GLY A 4 1.438 4.222 -2.927 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.633 3.471 -0.381 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.545 4.837 -0.650 1.00 0.00 H ATOM 49 N ARG A 5 -0.583 3.003 -0.891 1.00 0.00 N ATOM 50 CA ARG A 5 -1.740 2.232 -0.371 1.00 0.00 C ATOM 51 C ARG A 5 -1.419 0.737 -0.436 1.00 0.00 C ATOM 52 O ARG A 5 -1.751 -0.017 0.456 1.00 0.00 O ATOM 53 CB ARG A 5 -2.904 2.588 -1.295 1.00 0.00 C ATOM 54 CG ARG A 5 -3.966 3.353 -0.501 1.00 0.00 C ATOM 55 CD ARG A 5 -5.350 3.025 -1.058 1.00 0.00 C ATOM 56 NE ARG A 5 -5.993 4.346 -1.293 1.00 0.00 N ATOM 57 CZ ARG A 5 -5.825 4.960 -2.432 1.00 0.00 C ATOM 58 NH1 ARG A 5 -4.688 4.860 -3.065 1.00 0.00 N ATOM 59 NH2 ARG A 5 -6.791 5.675 -2.940 1.00 0.00 N ATOM 60 H ARG A 5 -0.662 3.508 -1.728 1.00 0.00 H ATOM 61 HA ARG A 5 -1.966 2.527 0.641 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.546 3.204 -2.106 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.337 1.683 -1.693 1.00 0.00 H ATOM 64 HG2 ARG A 5 -3.918 3.063 0.539 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.787 4.415 -0.588 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.260 2.478 -1.988 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.921 2.457 -0.340 1.00 0.00 H ATOM 68 HE ARG A 5 -6.542 4.756 -0.593 1.00 0.00 H ATOM 69 HH11 ARG A 5 -3.946 4.314 -2.677 1.00 0.00 H ATOM 70 HH12 ARG A 5 -4.560 5.328 -3.939 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.663 5.754 -2.455 1.00 0.00 H ATOM 72 HH22 ARG A 5 -6.661 6.142 -3.815 1.00 0.00 H ATOM 73 N GLN A 6 -0.752 0.304 -1.476 1.00 0.00 N ATOM 74 CA GLN A 6 -0.389 -1.138 -1.568 1.00 0.00 C ATOM 75 C GLN A 6 0.473 -1.505 -0.361 1.00 0.00 C ATOM 76 O GLN A 6 0.171 -2.421 0.380 1.00 0.00 O ATOM 77 CB GLN A 6 0.408 -1.277 -2.868 1.00 0.00 C ATOM 78 CG GLN A 6 1.211 -2.581 -2.843 1.00 0.00 C ATOM 79 CD GLN A 6 1.165 -3.238 -4.223 1.00 0.00 C ATOM 80 OE1 GLN A 6 2.182 -3.644 -4.750 1.00 0.00 O ATOM 81 NE2 GLN A 6 0.020 -3.361 -4.835 1.00 0.00 N ATOM 82 H GLN A 6 -0.477 0.928 -2.180 1.00 0.00 H ATOM 83 HA GLN A 6 -1.276 -1.752 -1.604 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.273 -1.290 -3.707 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.085 -0.442 -2.965 1.00 0.00 H ATOM 86 HG2 GLN A 6 2.239 -2.368 -2.579 1.00 0.00 H ATOM 87 HG3 GLN A 6 0.786 -3.253 -2.112 1.00 0.00 H ATOM 88 HE21 GLN A 6 -0.800 -3.034 -4.411 1.00 0.00 H ATOM 89 HE22 GLN A 6 -0.021 -3.781 -5.719 1.00 0.00 H ATOM 90 N LEU A 7 1.538 -0.780 -0.146 1.00 0.00 N ATOM 91 CA LEU A 7 2.404 -1.076 1.029 1.00 0.00 C ATOM 92 C LEU A 7 1.575 -0.938 2.307 1.00 0.00 C ATOM 93 O LEU A 7 1.692 -1.721 3.233 1.00 0.00 O ATOM 94 CB LEU A 7 3.507 -0.018 0.986 1.00 0.00 C ATOM 95 CG LEU A 7 4.201 0.054 2.348 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.653 0.493 2.157 1.00 0.00 C ATOM 97 CD2 LEU A 7 3.479 1.070 3.238 1.00 0.00 C ATOM 98 H LEU A 7 1.760 -0.032 -0.748 1.00 0.00 H ATOM 99 HA LEU A 7 2.826 -2.063 0.952 1.00 0.00 H ATOM 100 HB2 LEU A 7 4.229 -0.282 0.226 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.074 0.943 0.754 1.00 0.00 H ATOM 102 HG LEU A 7 4.177 -0.918 2.815 1.00 0.00 H ATOM 103 HD11 LEU A 7 6.229 -0.332 1.761 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.064 0.797 3.108 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.690 1.321 1.466 1.00 0.00 H ATOM 106 HD21 LEU A 7 3.050 1.847 2.623 1.00 0.00 H ATOM 107 HD22 LEU A 7 4.183 1.506 3.931 1.00 0.00 H ATOM 108 HD23 LEU A 7 2.694 0.572 3.789 1.00 0.00 H ATOM 109 N GLU A 8 0.724 0.049 2.352 1.00 0.00 N ATOM 110 CA GLU A 8 -0.128 0.243 3.552 1.00 0.00 C ATOM 111 C GLU A 8 -1.126 -0.907 3.652 1.00 0.00 C ATOM 112 O GLU A 8 -1.591 -1.253 4.719 1.00 0.00 O ATOM 113 CB GLU A 8 -0.842 1.574 3.319 1.00 0.00 C ATOM 114 CG GLU A 8 -0.144 2.677 4.113 1.00 0.00 C ATOM 115 CD GLU A 8 -1.131 3.294 5.105 1.00 0.00 C ATOM 116 OE1 GLU A 8 -2.305 3.360 4.778 1.00 0.00 O ATOM 117 OE2 GLU A 8 -0.698 3.688 6.174 1.00 0.00 O ATOM 118 H GLU A 8 0.637 0.654 1.589 1.00 0.00 H ATOM 119 HA GLU A 8 0.478 0.294 4.441 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.814 1.817 2.266 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.868 1.495 3.644 1.00 0.00 H ATOM 122 HG2 GLU A 8 0.696 2.259 4.649 1.00 0.00 H ATOM 123 HG3 GLU A 8 0.208 3.442 3.435 1.00 0.00 H ATOM 124 N GLU A 9 -1.440 -1.521 2.544 1.00 0.00 N ATOM 125 CA GLU A 9 -2.387 -2.667 2.583 1.00 0.00 C ATOM 126 C GLU A 9 -1.629 -3.914 3.030 1.00 0.00 C ATOM 127 O GLU A 9 -2.195 -4.837 3.579 1.00 0.00 O ATOM 128 CB GLU A 9 -2.906 -2.828 1.153 1.00 0.00 C ATOM 129 CG GLU A 9 -4.376 -2.401 1.096 1.00 0.00 C ATOM 130 CD GLU A 9 -4.492 -0.917 1.450 1.00 0.00 C ATOM 131 OE1 GLU A 9 -3.530 -0.375 1.971 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.540 -0.346 1.195 1.00 0.00 O ATOM 133 H GLU A 9 -1.039 -1.240 1.696 1.00 0.00 H ATOM 134 HA GLU A 9 -3.203 -2.459 3.256 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.323 -2.212 0.484 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.824 -3.863 0.855 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.761 -2.565 0.101 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.947 -2.983 1.805 1.00 0.00 H ATOM 139 N PHE A 10 -0.341 -3.934 2.814 1.00 0.00 N ATOM 140 CA PHE A 10 0.468 -5.109 3.245 1.00 0.00 C ATOM 141 C PHE A 10 0.861 -4.929 4.711 1.00 0.00 C ATOM 142 O PHE A 10 1.192 -5.874 5.400 1.00 0.00 O ATOM 143 CB PHE A 10 1.707 -5.095 2.345 1.00 0.00 C ATOM 144 CG PHE A 10 2.365 -6.457 2.364 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.692 -7.567 1.838 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.650 -6.609 2.902 1.00 0.00 C ATOM 147 CE1 PHE A 10 2.303 -8.829 1.851 1.00 0.00 C ATOM 148 CE2 PHE A 10 4.260 -7.870 2.917 1.00 0.00 C ATOM 149 CZ PHE A 10 3.588 -8.979 2.389 1.00 0.00 C ATOM 150 H PHE A 10 0.095 -3.169 2.382 1.00 0.00 H ATOM 151 HA PHE A 10 -0.086 -6.024 3.106 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.415 -4.851 1.335 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.405 -4.355 2.707 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.702 -7.452 1.422 1.00 0.00 H ATOM 155 HD2 PHE A 10 4.169 -5.752 3.309 1.00 0.00 H ATOM 156 HE1 PHE A 10 1.785 -9.685 1.446 1.00 0.00 H ATOM 157 HE2 PHE A 10 5.250 -7.986 3.332 1.00 0.00 H ATOM 158 HZ PHE A 10 4.058 -9.951 2.398 1.00 0.00 H ATOM 159 N LEU A 11 0.817 -3.714 5.192 1.00 0.00 N ATOM 160 CA LEU A 11 1.177 -3.457 6.616 1.00 0.00 C ATOM 161 C LEU A 11 0.543 -2.143 7.091 1.00 0.00 C ATOM 162 O LEU A 11 -0.575 -1.828 6.733 1.00 0.00 O ATOM 163 CB LEU A 11 2.703 -3.364 6.628 1.00 0.00 C ATOM 164 CG LEU A 11 3.248 -4.185 7.796 1.00 0.00 C ATOM 165 CD1 LEU A 11 2.640 -3.676 9.102 1.00 0.00 C ATOM 166 CD2 LEU A 11 2.873 -5.656 7.603 1.00 0.00 C ATOM 167 H LEU A 11 0.543 -2.968 4.613 1.00 0.00 H ATOM 168 HA LEU A 11 0.854 -4.276 7.239 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.094 -3.753 5.699 1.00 0.00 H ATOM 170 HB3 LEU A 11 3.004 -2.334 6.741 1.00 0.00 H ATOM 171 HG LEU A 11 4.324 -4.087 7.836 1.00 0.00 H ATOM 172 HD11 LEU A 11 1.575 -3.541 8.974 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.092 -2.731 9.367 1.00 0.00 H ATOM 174 HD13 LEU A 11 2.818 -4.394 9.887 1.00 0.00 H ATOM 175 HD21 LEU A 11 3.068 -5.946 6.582 1.00 0.00 H ATOM 176 HD22 LEU A 11 1.823 -5.791 7.821 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.460 -6.269 8.271 1.00 0.00 H HETATM 178 N NH2 A 12 1.211 -1.356 7.892 1.00 0.00 N HETATM 179 HN1 NH2 A 12 2.111 -1.603 8.185 1.00 0.00 H HETATM 180 HN2 NH2 A 12 0.810 -0.518 8.202 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 32 HETATM 1 C ACE A 1 -0.439 5.788 -3.979 1.00 0.00 C HETATM 2 O ACE A 1 -0.699 5.262 -2.912 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.236 7.159 -4.045 1.00 0.00 C HETATM 4 H1 ACE A 1 1.304 7.041 -3.922 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.150 7.790 -3.259 1.00 0.00 H HETATM 6 H3 ACE A 1 0.034 7.615 -5.002 1.00 0.00 H ATOM 7 N LEU A 2 -0.717 5.197 -5.108 1.00 0.00 N ATOM 8 CA LEU A 2 -1.365 3.859 -5.096 1.00 0.00 C ATOM 9 C LEU A 2 -0.397 2.848 -4.496 1.00 0.00 C ATOM 10 O LEU A 2 -0.781 1.952 -3.772 1.00 0.00 O ATOM 11 CB LEU A 2 -1.658 3.534 -6.560 1.00 0.00 C ATOM 12 CG LEU A 2 -2.505 2.261 -6.645 1.00 0.00 C ATOM 13 CD1 LEU A 2 -1.617 1.046 -6.377 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.628 2.316 -5.603 1.00 0.00 C ATOM 15 H LEU A 2 -0.490 5.625 -5.959 1.00 0.00 H ATOM 16 HA LEU A 2 -2.280 3.889 -4.526 1.00 0.00 H ATOM 17 HB2 LEU A 2 -2.194 4.355 -7.011 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.727 3.379 -7.086 1.00 0.00 H ATOM 19 HG LEU A 2 -2.933 2.183 -7.634 1.00 0.00 H ATOM 20 HD11 LEU A 2 -1.804 0.290 -7.126 1.00 0.00 H ATOM 21 HD12 LEU A 2 -1.839 0.645 -5.398 1.00 0.00 H ATOM 22 HD13 LEU A 2 -0.580 1.343 -6.418 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.890 3.346 -5.409 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.291 1.853 -4.687 1.00 0.00 H ATOM 25 HD23 LEU A 2 -4.492 1.787 -5.975 1.00 0.00 H ATOM 26 N VAL A 3 0.864 3.004 -4.777 1.00 0.00 N ATOM 27 CA VAL A 3 1.867 2.072 -4.201 1.00 0.00 C ATOM 28 C VAL A 3 1.909 2.283 -2.689 1.00 0.00 C ATOM 29 O VAL A 3 2.160 1.371 -1.925 1.00 0.00 O ATOM 30 CB VAL A 3 3.194 2.461 -4.851 1.00 0.00 C ATOM 31 CG1 VAL A 3 2.990 2.649 -6.356 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.698 3.772 -4.244 1.00 0.00 C ATOM 33 H VAL A 3 1.151 3.748 -5.349 1.00 0.00 H ATOM 34 HA VAL A 3 1.617 1.048 -4.438 1.00 0.00 H ATOM 35 HB VAL A 3 3.920 1.680 -4.682 1.00 0.00 H ATOM 36 HG11 VAL A 3 2.850 3.699 -6.571 1.00 0.00 H ATOM 37 HG12 VAL A 3 2.117 2.097 -6.674 1.00 0.00 H ATOM 38 HG13 VAL A 3 3.858 2.286 -6.885 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.564 4.112 -4.792 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.966 3.611 -3.210 1.00 0.00 H ATOM 41 HG23 VAL A 3 2.921 4.519 -4.302 1.00 0.00 H ATOM 42 N GLY A 4 1.627 3.482 -2.254 1.00 0.00 N ATOM 43 CA GLY A 4 1.614 3.754 -0.795 1.00 0.00 C ATOM 44 C GLY A 4 0.440 2.989 -0.204 1.00 0.00 C ATOM 45 O GLY A 4 0.564 2.297 0.788 1.00 0.00 O ATOM 46 H GLY A 4 1.397 4.192 -2.889 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.540 3.416 -0.350 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.484 4.810 -0.617 1.00 0.00 H ATOM 49 N ARG A 5 -0.699 3.083 -0.836 1.00 0.00 N ATOM 50 CA ARG A 5 -1.882 2.330 -0.341 1.00 0.00 C ATOM 51 C ARG A 5 -1.518 0.849 -0.278 1.00 0.00 C ATOM 52 O ARG A 5 -1.783 0.170 0.693 1.00 0.00 O ATOM 53 CB ARG A 5 -2.975 2.579 -1.379 1.00 0.00 C ATOM 54 CG ARG A 5 -3.570 3.972 -1.165 1.00 0.00 C ATOM 55 CD ARG A 5 -3.950 4.586 -2.515 1.00 0.00 C ATOM 56 NE ARG A 5 -4.774 5.779 -2.172 1.00 0.00 N ATOM 57 CZ ARG A 5 -4.827 6.794 -2.991 1.00 0.00 C ATOM 58 NH1 ARG A 5 -5.678 6.793 -3.981 1.00 0.00 N ATOM 59 NH2 ARG A 5 -4.033 7.815 -2.817 1.00 0.00 N ATOM 60 H ARG A 5 -0.764 3.630 -1.653 1.00 0.00 H ATOM 61 HA ARG A 5 -2.190 2.692 0.628 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.550 2.515 -2.370 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.752 1.836 -1.271 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.450 3.894 -0.544 1.00 0.00 H ATOM 65 HG3 ARG A 5 -2.840 4.601 -0.678 1.00 0.00 H ATOM 66 HD2 ARG A 5 -3.060 4.882 -3.056 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.532 3.888 -3.096 1.00 0.00 H ATOM 68 HE ARG A 5 -5.274 5.803 -1.330 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.291 6.014 -4.112 1.00 0.00 H ATOM 70 HH12 ARG A 5 -5.718 7.571 -4.608 1.00 0.00 H ATOM 71 HH21 ARG A 5 -3.384 7.819 -2.057 1.00 0.00 H ATOM 72 HH22 ARG A 5 -4.071 8.592 -3.446 1.00 0.00 H ATOM 73 N GLN A 6 -0.880 0.355 -1.307 1.00 0.00 N ATOM 74 CA GLN A 6 -0.456 -1.071 -1.309 1.00 0.00 C ATOM 75 C GLN A 6 0.451 -1.308 -0.103 1.00 0.00 C ATOM 76 O GLN A 6 0.390 -2.333 0.548 1.00 0.00 O ATOM 77 CB GLN A 6 0.314 -1.244 -2.622 1.00 0.00 C ATOM 78 CG GLN A 6 1.148 -2.526 -2.578 1.00 0.00 C ATOM 79 CD GLN A 6 2.597 -2.200 -2.945 1.00 0.00 C ATOM 80 OE1 GLN A 6 3.063 -1.102 -2.707 1.00 0.00 O ATOM 81 NE2 GLN A 6 3.335 -3.112 -3.516 1.00 0.00 N ATOM 82 H GLN A 6 -0.659 0.933 -2.067 1.00 0.00 H ATOM 83 HA GLN A 6 -1.312 -1.727 -1.283 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.388 -1.298 -3.443 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.967 -0.397 -2.766 1.00 0.00 H ATOM 86 HG2 GLN A 6 1.113 -2.950 -1.585 1.00 0.00 H ATOM 87 HG3 GLN A 6 0.752 -3.237 -3.287 1.00 0.00 H ATOM 88 HE21 GLN A 6 2.960 -3.997 -3.702 1.00 0.00 H ATOM 89 HE22 GLN A 6 4.262 -2.910 -3.763 1.00 0.00 H ATOM 90 N LEU A 7 1.281 -0.348 0.210 1.00 0.00 N ATOM 91 CA LEU A 7 2.178 -0.494 1.388 1.00 0.00 C ATOM 92 C LEU A 7 1.326 -0.664 2.648 1.00 0.00 C ATOM 93 O LEU A 7 1.494 -1.599 3.408 1.00 0.00 O ATOM 94 CB LEU A 7 2.969 0.818 1.451 1.00 0.00 C ATOM 95 CG LEU A 7 4.468 0.525 1.575 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.695 -0.623 2.565 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.030 0.137 0.203 1.00 0.00 C ATOM 98 H LEU A 7 1.299 0.476 -0.324 1.00 0.00 H ATOM 99 HA LEU A 7 2.847 -1.329 1.258 1.00 0.00 H ATOM 100 HB2 LEU A 7 2.788 1.390 0.553 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.646 1.387 2.308 1.00 0.00 H ATOM 102 HG LEU A 7 4.975 1.409 1.935 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.553 -0.401 3.182 1.00 0.00 H ATOM 104 HD12 LEU A 7 4.869 -1.539 2.020 1.00 0.00 H ATOM 105 HD13 LEU A 7 3.822 -0.736 3.192 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.355 -0.893 0.225 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.870 0.774 -0.033 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.264 0.259 -0.549 1.00 0.00 H ATOM 109 N GLU A 8 0.397 0.228 2.859 1.00 0.00 N ATOM 110 CA GLU A 8 -0.487 0.120 4.052 1.00 0.00 C ATOM 111 C GLU A 8 -1.356 -1.127 3.916 1.00 0.00 C ATOM 112 O GLU A 8 -1.878 -1.649 4.882 1.00 0.00 O ATOM 113 CB GLU A 8 -1.345 1.385 4.029 1.00 0.00 C ATOM 114 CG GLU A 8 -0.491 2.585 4.445 1.00 0.00 C ATOM 115 CD GLU A 8 -0.279 2.561 5.959 1.00 0.00 C ATOM 116 OE1 GLU A 8 -0.588 1.550 6.567 1.00 0.00 O ATOM 117 OE2 GLU A 8 0.192 3.555 6.488 1.00 0.00 O ATOM 118 H GLU A 8 0.270 0.961 2.223 1.00 0.00 H ATOM 119 HA GLU A 8 0.097 0.081 4.958 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.727 1.543 3.030 1.00 0.00 H ATOM 121 HB3 GLU A 8 -2.169 1.276 4.716 1.00 0.00 H ATOM 122 HG2 GLU A 8 0.465 2.535 3.944 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.995 3.498 4.167 1.00 0.00 H ATOM 124 N GLU A 9 -1.500 -1.615 2.714 1.00 0.00 N ATOM 125 CA GLU A 9 -2.314 -2.841 2.497 1.00 0.00 C ATOM 126 C GLU A 9 -1.445 -4.070 2.744 1.00 0.00 C ATOM 127 O GLU A 9 -1.928 -5.149 3.026 1.00 0.00 O ATOM 128 CB GLU A 9 -2.745 -2.775 1.032 1.00 0.00 C ATOM 129 CG GLU A 9 -4.106 -3.454 0.865 1.00 0.00 C ATOM 130 CD GLU A 9 -5.136 -2.432 0.375 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.790 -1.266 0.280 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.254 -2.835 0.100 1.00 0.00 O ATOM 133 H GLU A 9 -1.057 -1.180 1.955 1.00 0.00 H ATOM 134 HA GLU A 9 -3.175 -2.846 3.143 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.813 -1.742 0.725 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.016 -3.282 0.421 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.022 -4.255 0.145 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.426 -3.857 1.816 1.00 0.00 H ATOM 139 N PHE A 10 -0.157 -3.903 2.649 1.00 0.00 N ATOM 140 CA PHE A 10 0.766 -5.042 2.886 1.00 0.00 C ATOM 141 C PHE A 10 1.239 -5.017 4.340 1.00 0.00 C ATOM 142 O PHE A 10 1.787 -5.977 4.846 1.00 0.00 O ATOM 143 CB PHE A 10 1.934 -4.799 1.934 1.00 0.00 C ATOM 144 CG PHE A 10 2.783 -6.045 1.854 1.00 0.00 C ATOM 145 CD1 PHE A 10 2.430 -7.078 0.979 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.922 -6.165 2.658 1.00 0.00 C ATOM 147 CE1 PHE A 10 3.216 -8.231 0.906 1.00 0.00 C ATOM 148 CE2 PHE A 10 4.710 -7.319 2.586 1.00 0.00 C ATOM 149 CZ PHE A 10 4.357 -8.354 1.710 1.00 0.00 C ATOM 150 H PHE A 10 0.205 -3.019 2.428 1.00 0.00 H ATOM 151 HA PHE A 10 0.284 -5.978 2.655 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.552 -4.559 0.952 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.532 -3.977 2.298 1.00 0.00 H ATOM 154 HD1 PHE A 10 1.549 -6.984 0.359 1.00 0.00 H ATOM 155 HD2 PHE A 10 4.193 -5.368 3.335 1.00 0.00 H ATOM 156 HE1 PHE A 10 2.943 -9.030 0.230 1.00 0.00 H ATOM 157 HE2 PHE A 10 5.589 -7.412 3.207 1.00 0.00 H ATOM 158 HZ PHE A 10 4.965 -9.245 1.654 1.00 0.00 H ATOM 159 N LEU A 11 1.027 -3.921 5.015 1.00 0.00 N ATOM 160 CA LEU A 11 1.455 -3.825 6.439 1.00 0.00 C ATOM 161 C LEU A 11 0.231 -3.730 7.353 1.00 0.00 C ATOM 162 O LEU A 11 -0.149 -2.655 7.776 1.00 0.00 O ATOM 163 CB LEU A 11 2.281 -2.545 6.518 1.00 0.00 C ATOM 164 CG LEU A 11 3.230 -2.626 7.714 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.329 -3.648 7.423 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.861 -1.255 7.956 1.00 0.00 C ATOM 167 H LEU A 11 0.582 -3.158 4.584 1.00 0.00 H ATOM 168 HA LEU A 11 2.062 -4.675 6.707 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.854 -2.430 5.608 1.00 0.00 H ATOM 170 HB3 LEU A 11 1.623 -1.698 6.638 1.00 0.00 H ATOM 171 HG LEU A 11 2.677 -2.931 8.591 1.00 0.00 H ATOM 172 HD11 LEU A 11 5.281 -3.250 7.739 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.357 -3.854 6.364 1.00 0.00 H ATOM 174 HD13 LEU A 11 4.123 -4.561 7.962 1.00 0.00 H ATOM 175 HD21 LEU A 11 4.068 -0.781 7.008 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.783 -1.376 8.508 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.180 -0.641 8.525 1.00 0.00 H HETATM 178 N NH2 A 12 -0.412 -4.818 7.673 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.107 -5.685 7.332 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -1.199 -4.769 8.255 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 33 HETATM 1 C ACE A 1 -0.514 5.611 -4.043 1.00 0.00 C HETATM 2 O ACE A 1 -0.866 5.045 -3.023 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.041 7.067 -4.021 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.559 7.603 -3.240 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.252 7.527 -4.975 1.00 0.00 H HETATM 6 H3 ACE A 1 1.023 7.096 -3.835 1.00 0.00 H ATOM 7 N LEU A 2 -0.517 4.995 -5.194 1.00 0.00 N ATOM 8 CA LEU A 2 -0.961 3.578 -5.274 1.00 0.00 C ATOM 9 C LEU A 2 0.021 2.698 -4.510 1.00 0.00 C ATOM 10 O LEU A 2 -0.345 1.694 -3.930 1.00 0.00 O ATOM 11 CB LEU A 2 -0.948 3.237 -6.765 1.00 0.00 C ATOM 12 CG LEU A 2 -2.252 2.534 -7.140 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.960 3.322 -8.244 1.00 0.00 C ATOM 14 CD2 LEU A 2 -1.942 1.120 -7.641 1.00 0.00 C ATOM 15 H LEU A 2 -0.222 5.463 -6.002 1.00 0.00 H ATOM 16 HA LEU A 2 -1.956 3.469 -4.875 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.851 4.147 -7.340 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.115 2.586 -6.979 1.00 0.00 H ATOM 19 HG LEU A 2 -2.893 2.478 -6.271 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.751 2.721 -8.666 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.249 3.575 -9.017 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.377 4.227 -7.829 1.00 0.00 H ATOM 23 HD21 LEU A 2 -0.906 1.064 -7.938 1.00 0.00 H ATOM 24 HD22 LEU A 2 -2.572 0.891 -8.487 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.128 0.410 -6.849 1.00 0.00 H ATOM 26 N VAL A 3 1.266 3.079 -4.493 1.00 0.00 N ATOM 27 CA VAL A 3 2.275 2.276 -3.749 1.00 0.00 C ATOM 28 C VAL A 3 2.078 2.494 -2.250 1.00 0.00 C ATOM 29 O VAL A 3 2.402 1.649 -1.437 1.00 0.00 O ATOM 30 CB VAL A 3 3.631 2.814 -4.203 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.746 1.929 -3.646 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.693 2.808 -5.732 1.00 0.00 C ATOM 33 H VAL A 3 1.533 3.900 -4.960 1.00 0.00 H ATOM 34 HA VAL A 3 2.186 1.230 -3.997 1.00 0.00 H ATOM 35 HB VAL A 3 3.758 3.824 -3.839 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.720 0.966 -4.135 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.602 1.796 -2.583 1.00 0.00 H ATOM 38 HG13 VAL A 3 5.701 2.398 -3.825 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.552 2.239 -6.055 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.776 3.822 -6.093 1.00 0.00 H ATOM 41 HG23 VAL A 3 2.794 2.358 -6.126 1.00 0.00 H ATOM 42 N GLY A 4 1.530 3.621 -1.882 1.00 0.00 N ATOM 43 CA GLY A 4 1.289 3.896 -0.440 1.00 0.00 C ATOM 44 C GLY A 4 0.091 3.071 0.018 1.00 0.00 C ATOM 45 O GLY A 4 0.107 2.462 1.069 1.00 0.00 O ATOM 46 H GLY A 4 1.262 4.279 -2.558 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.165 3.619 0.132 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.078 4.945 -0.298 1.00 0.00 H ATOM 49 N ARG A 5 -0.947 3.033 -0.773 1.00 0.00 N ATOM 50 CA ARG A 5 -2.140 2.227 -0.386 1.00 0.00 C ATOM 51 C ARG A 5 -1.785 0.740 -0.429 1.00 0.00 C ATOM 52 O ARG A 5 -2.215 -0.041 0.398 1.00 0.00 O ATOM 53 CB ARG A 5 -3.202 2.553 -1.435 1.00 0.00 C ATOM 54 CG ARG A 5 -4.420 1.651 -1.222 1.00 0.00 C ATOM 55 CD ARG A 5 -5.157 1.464 -2.549 1.00 0.00 C ATOM 56 NE ARG A 5 -5.296 -0.011 -2.708 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.133 -0.495 -3.583 1.00 0.00 C ATOM 58 NH1 ARG A 5 -5.745 -0.710 -4.810 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.360 -0.765 -3.231 1.00 0.00 N ATOM 60 H ARG A 5 -0.937 3.525 -1.625 1.00 0.00 H ATOM 61 HA ARG A 5 -2.488 2.508 0.596 1.00 0.00 H ATOM 62 HB2 ARG A 5 -3.497 3.588 -1.339 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.799 2.383 -2.422 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.095 0.691 -0.851 1.00 0.00 H ATOM 65 HG3 ARG A 5 -5.086 2.108 -0.505 1.00 0.00 H ATOM 66 HD2 ARG A 5 -6.129 1.933 -2.508 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.575 1.870 -3.362 1.00 0.00 H ATOM 68 HE ARG A 5 -4.758 -0.616 -2.157 1.00 0.00 H ATOM 69 HH11 ARG A 5 -4.805 -0.503 -5.080 1.00 0.00 H ATOM 70 HH12 ARG A 5 -6.388 -1.080 -5.481 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.658 -0.599 -2.291 1.00 0.00 H ATOM 72 HH22 ARG A 5 -8.002 -1.137 -3.902 1.00 0.00 H ATOM 73 N GLN A 6 -0.993 0.345 -1.391 1.00 0.00 N ATOM 74 CA GLN A 6 -0.599 -1.087 -1.495 1.00 0.00 C ATOM 75 C GLN A 6 0.274 -1.477 -0.301 1.00 0.00 C ATOM 76 O GLN A 6 0.035 -2.472 0.357 1.00 0.00 O ATOM 77 CB GLN A 6 0.197 -1.186 -2.797 1.00 0.00 C ATOM 78 CG GLN A 6 0.137 -2.620 -3.322 1.00 0.00 C ATOM 79 CD GLN A 6 -1.096 -2.785 -4.211 1.00 0.00 C ATOM 80 OE1 GLN A 6 -1.285 -2.039 -5.151 1.00 0.00 O ATOM 81 NE2 GLN A 6 -1.948 -3.739 -3.954 1.00 0.00 N ATOM 82 H GLN A 6 -0.655 0.994 -2.043 1.00 0.00 H ATOM 83 HA GLN A 6 -1.472 -1.717 -1.548 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.227 -0.514 -3.530 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.226 -0.915 -2.613 1.00 0.00 H ATOM 86 HG2 GLN A 6 1.028 -2.833 -3.894 1.00 0.00 H ATOM 87 HG3 GLN A 6 0.070 -3.305 -2.489 1.00 0.00 H ATOM 88 HE21 GLN A 6 -1.796 -4.342 -3.197 1.00 0.00 H ATOM 89 HE22 GLN A 6 -2.743 -3.852 -4.517 1.00 0.00 H ATOM 90 N LEU A 7 1.283 -0.703 -0.011 1.00 0.00 N ATOM 91 CA LEU A 7 2.162 -1.035 1.144 1.00 0.00 C ATOM 92 C LEU A 7 1.380 -0.888 2.450 1.00 0.00 C ATOM 93 O LEU A 7 1.439 -1.733 3.319 1.00 0.00 O ATOM 94 CB LEU A 7 3.309 -0.027 1.078 1.00 0.00 C ATOM 95 CG LEU A 7 4.574 -0.733 0.589 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.221 0.086 -0.529 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.559 -0.874 1.751 1.00 0.00 C ATOM 98 H LEU A 7 1.460 0.098 -0.551 1.00 0.00 H ATOM 99 HA LEU A 7 2.547 -2.038 1.046 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.050 0.768 0.393 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.484 0.384 2.060 1.00 0.00 H ATOM 102 HG LEU A 7 4.316 -1.713 0.214 1.00 0.00 H ATOM 103 HD11 LEU A 7 6.169 0.476 -0.188 1.00 0.00 H ATOM 104 HD12 LEU A 7 4.570 0.905 -0.799 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.382 -0.545 -1.390 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.013 -1.045 2.668 1.00 0.00 H ATOM 107 HD22 LEU A 7 6.140 0.033 1.842 1.00 0.00 H ATOM 108 HD23 LEU A 7 6.219 -1.708 1.565 1.00 0.00 H ATOM 109 N GLU A 8 0.630 0.172 2.588 1.00 0.00 N ATOM 110 CA GLU A 8 -0.167 0.357 3.831 1.00 0.00 C ATOM 111 C GLU A 8 -1.147 -0.804 3.960 1.00 0.00 C ATOM 112 O GLU A 8 -1.524 -1.202 5.043 1.00 0.00 O ATOM 113 CB GLU A 8 -0.914 1.677 3.639 1.00 0.00 C ATOM 114 CG GLU A 8 -1.865 1.902 4.816 1.00 0.00 C ATOM 115 CD GLU A 8 -3.245 1.335 4.476 1.00 0.00 C ATOM 116 OE1 GLU A 8 -3.559 1.261 3.300 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.963 0.985 5.398 1.00 0.00 O ATOM 118 H GLU A 8 0.581 0.834 1.871 1.00 0.00 H ATOM 119 HA GLU A 8 0.478 0.411 4.693 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.204 2.490 3.588 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.483 1.640 2.723 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.476 1.403 5.692 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.951 2.959 5.014 1.00 0.00 H ATOM 124 N GLU A 9 -1.544 -1.357 2.850 1.00 0.00 N ATOM 125 CA GLU A 9 -2.483 -2.512 2.883 1.00 0.00 C ATOM 126 C GLU A 9 -1.678 -3.807 2.997 1.00 0.00 C ATOM 127 O GLU A 9 -2.195 -4.848 3.348 1.00 0.00 O ATOM 128 CB GLU A 9 -3.234 -2.454 1.552 1.00 0.00 C ATOM 129 CG GLU A 9 -4.332 -1.392 1.632 1.00 0.00 C ATOM 130 CD GLU A 9 -5.700 -2.057 1.462 1.00 0.00 C ATOM 131 OE1 GLU A 9 -6.201 -2.592 2.437 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.222 -2.021 0.360 1.00 0.00 O ATOM 133 H GLU A 9 -1.210 -1.019 1.990 1.00 0.00 H ATOM 134 HA GLU A 9 -3.173 -2.418 3.707 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.544 -2.201 0.760 1.00 0.00 H ATOM 136 HB3 GLU A 9 -3.680 -3.415 1.349 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.287 -0.899 2.592 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.188 -0.665 0.847 1.00 0.00 H ATOM 139 N PHE A 10 -0.406 -3.739 2.708 1.00 0.00 N ATOM 140 CA PHE A 10 0.455 -4.950 2.802 1.00 0.00 C ATOM 141 C PHE A 10 1.190 -4.955 4.145 1.00 0.00 C ATOM 142 O PHE A 10 1.803 -5.931 4.528 1.00 0.00 O ATOM 143 CB PHE A 10 1.446 -4.819 1.645 1.00 0.00 C ATOM 144 CG PHE A 10 2.206 -6.113 1.471 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.558 -7.242 0.953 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.559 -6.184 1.826 1.00 0.00 C ATOM 147 CE1 PHE A 10 2.264 -8.439 0.789 1.00 0.00 C ATOM 148 CE2 PHE A 10 4.264 -7.381 1.661 1.00 0.00 C ATOM 149 CZ PHE A 10 3.617 -8.509 1.142 1.00 0.00 C ATOM 150 H PHE A 10 -0.014 -2.882 2.434 1.00 0.00 H ATOM 151 HA PHE A 10 -0.135 -5.846 2.687 1.00 0.00 H ATOM 152 HB2 PHE A 10 0.907 -4.594 0.736 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.142 -4.021 1.857 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.515 -7.188 0.680 1.00 0.00 H ATOM 155 HD2 PHE A 10 4.058 -5.313 2.226 1.00 0.00 H ATOM 156 HE1 PHE A 10 1.765 -9.310 0.388 1.00 0.00 H ATOM 157 HE2 PHE A 10 5.308 -7.436 1.933 1.00 0.00 H ATOM 158 HZ PHE A 10 4.161 -9.434 1.016 1.00 0.00 H ATOM 159 N LEU A 11 1.131 -3.864 4.862 1.00 0.00 N ATOM 160 CA LEU A 11 1.823 -3.796 6.179 1.00 0.00 C ATOM 161 C LEU A 11 0.882 -4.261 7.295 1.00 0.00 C ATOM 162 O LEU A 11 -0.140 -3.653 7.543 1.00 0.00 O ATOM 163 CB LEU A 11 2.179 -2.319 6.360 1.00 0.00 C ATOM 164 CG LEU A 11 3.387 -1.972 5.489 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.745 -0.498 5.677 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.577 -2.842 5.897 1.00 0.00 C ATOM 167 H LEU A 11 0.630 -3.088 4.532 1.00 0.00 H ATOM 168 HA LEU A 11 2.721 -4.393 6.167 1.00 0.00 H ATOM 169 HB2 LEU A 11 1.336 -1.708 6.068 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.419 -2.130 7.395 1.00 0.00 H ATOM 171 HG LEU A 11 3.147 -2.153 4.451 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.367 -0.169 4.857 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.280 -0.373 6.606 1.00 0.00 H ATOM 174 HD13 LEU A 11 2.840 0.092 5.701 1.00 0.00 H ATOM 175 HD21 LEU A 11 4.428 -3.850 5.537 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.662 -2.855 6.974 1.00 0.00 H ATOM 177 HD23 LEU A 11 5.484 -2.438 5.470 1.00 0.00 H HETATM 178 N NH2 A 12 1.188 -5.326 7.986 1.00 0.00 N HETATM 179 HN1 NH2 A 12 2.011 -5.819 7.789 1.00 0.00 H HETATM 180 HN2 NH2 A 12 0.594 -5.631 8.702 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 34 HETATM 1 C ACE A 1 -0.727 5.545 -4.179 1.00 0.00 C HETATM 2 O ACE A 1 -1.020 5.134 -3.072 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.279 6.993 -4.394 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.695 7.617 -3.616 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.627 7.338 -5.356 1.00 0.00 H HETATM 6 H3 ACE A 1 0.798 7.046 -4.361 1.00 0.00 H ATOM 7 N LEU A 2 -0.779 4.769 -5.226 1.00 0.00 N ATOM 8 CA LEU A 2 -1.207 3.350 -5.075 1.00 0.00 C ATOM 9 C LEU A 2 -0.103 2.542 -4.398 1.00 0.00 C ATOM 10 O LEU A 2 -0.364 1.611 -3.665 1.00 0.00 O ATOM 11 CB LEU A 2 -1.455 2.848 -6.497 1.00 0.00 C ATOM 12 CG LEU A 2 -2.961 2.789 -6.761 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.591 1.708 -5.882 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.590 4.145 -6.431 1.00 0.00 C ATOM 15 H LEU A 2 -0.537 5.117 -6.109 1.00 0.00 H ATOM 16 HA LEU A 2 -2.117 3.293 -4.500 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.989 3.519 -7.203 1.00 0.00 H ATOM 18 HB3 LEU A 2 -1.033 1.859 -6.607 1.00 0.00 H ATOM 19 HG LEU A 2 -3.134 2.553 -7.801 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.853 0.956 -5.650 1.00 0.00 H ATOM 21 HD12 LEU A 2 -4.417 1.252 -6.409 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.952 2.154 -4.966 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.234 4.483 -5.468 1.00 0.00 H ATOM 24 HD22 LEU A 2 -4.665 4.045 -6.401 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.316 4.864 -7.188 1.00 0.00 H ATOM 26 N VAL A 3 1.131 2.896 -4.628 1.00 0.00 N ATOM 27 CA VAL A 3 2.243 2.146 -3.977 1.00 0.00 C ATOM 28 C VAL A 3 2.249 2.458 -2.478 1.00 0.00 C ATOM 29 O VAL A 3 2.657 1.653 -1.662 1.00 0.00 O ATOM 30 CB VAL A 3 3.525 2.650 -4.646 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.600 2.110 -6.076 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.524 4.181 -4.680 1.00 0.00 C ATOM 33 H VAL A 3 1.324 3.656 -5.216 1.00 0.00 H ATOM 34 HA VAL A 3 2.131 1.086 -4.141 1.00 0.00 H ATOM 35 HB VAL A 3 4.383 2.302 -4.088 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.633 2.050 -6.385 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.063 2.773 -6.740 1.00 0.00 H ATOM 38 HG13 VAL A 3 3.156 1.127 -6.113 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.421 4.553 -4.204 1.00 0.00 H ATOM 40 HG22 VAL A 3 2.658 4.554 -4.154 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.495 4.518 -5.706 1.00 0.00 H ATOM 42 N GLY A 4 1.775 3.620 -2.111 1.00 0.00 N ATOM 43 CA GLY A 4 1.731 3.986 -0.669 1.00 0.00 C ATOM 44 C GLY A 4 0.530 3.294 -0.035 1.00 0.00 C ATOM 45 O GLY A 4 0.649 2.607 0.961 1.00 0.00 O ATOM 46 H GLY A 4 1.431 4.244 -2.785 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.640 3.659 -0.184 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.625 5.055 -0.567 1.00 0.00 H ATOM 49 N ARG A 5 -0.625 3.447 -0.622 1.00 0.00 N ATOM 50 CA ARG A 5 -1.828 2.772 -0.066 1.00 0.00 C ATOM 51 C ARG A 5 -1.584 1.266 -0.076 1.00 0.00 C ATOM 52 O ARG A 5 -1.935 0.555 0.846 1.00 0.00 O ATOM 53 CB ARG A 5 -2.971 3.144 -1.009 1.00 0.00 C ATOM 54 CG ARG A 5 -4.214 2.323 -0.658 1.00 0.00 C ATOM 55 CD ARG A 5 -5.449 3.224 -0.708 1.00 0.00 C ATOM 56 NE ARG A 5 -5.391 3.881 -2.042 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.438 4.505 -2.508 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.653 5.750 -2.180 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.268 3.883 -3.301 1.00 0.00 N ATOM 60 H ARG A 5 -0.696 3.989 -1.437 1.00 0.00 H ATOM 61 HA ARG A 5 -2.034 3.119 0.935 1.00 0.00 H ATOM 62 HB2 ARG A 5 -3.193 4.196 -0.908 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.680 2.934 -2.027 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.325 1.518 -1.369 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.108 1.915 0.335 1.00 0.00 H ATOM 66 HD2 ARG A 5 -6.349 2.632 -0.616 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.404 3.968 0.072 1.00 0.00 H ATOM 68 HE ARG A 5 -4.567 3.844 -2.573 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.016 6.224 -1.572 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.456 6.229 -2.534 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.101 2.929 -3.552 1.00 0.00 H ATOM 72 HH22 ARG A 5 -8.069 4.361 -3.660 1.00 0.00 H ATOM 73 N GLN A 6 -0.962 0.779 -1.114 1.00 0.00 N ATOM 74 CA GLN A 6 -0.667 -0.675 -1.189 1.00 0.00 C ATOM 75 C GLN A 6 0.239 -1.059 -0.022 1.00 0.00 C ATOM 76 O GLN A 6 -0.061 -1.957 0.737 1.00 0.00 O ATOM 77 CB GLN A 6 0.052 -0.871 -2.524 1.00 0.00 C ATOM 78 CG GLN A 6 -0.980 -1.092 -3.631 1.00 0.00 C ATOM 79 CD GLN A 6 -1.897 -2.253 -3.247 1.00 0.00 C ATOM 80 OE1 GLN A 6 -3.097 -2.180 -3.422 1.00 0.00 O ATOM 81 NE2 GLN A 6 -1.381 -3.330 -2.721 1.00 0.00 N ATOM 82 H GLN A 6 -0.675 1.375 -1.837 1.00 0.00 H ATOM 83 HA GLN A 6 -1.579 -1.249 -1.167 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.640 0.008 -2.748 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.701 -1.732 -2.462 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.568 -0.194 -3.760 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.474 -1.327 -4.555 1.00 0.00 H ATOM 88 HE21 GLN A 6 -0.412 -3.388 -2.578 1.00 0.00 H ATOM 89 HE22 GLN A 6 -1.960 -4.079 -2.470 1.00 0.00 H ATOM 90 N LEU A 7 1.339 -0.372 0.141 1.00 0.00 N ATOM 91 CA LEU A 7 2.238 -0.699 1.280 1.00 0.00 C ATOM 92 C LEU A 7 1.403 -0.797 2.555 1.00 0.00 C ATOM 93 O LEU A 7 1.543 -1.717 3.338 1.00 0.00 O ATOM 94 CB LEU A 7 3.223 0.468 1.362 1.00 0.00 C ATOM 95 CG LEU A 7 4.324 0.137 2.372 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.655 0.714 1.886 1.00 0.00 C ATOM 97 CD2 LEU A 7 3.969 0.749 3.730 1.00 0.00 C ATOM 98 H LEU A 7 1.562 0.362 -0.473 1.00 0.00 H ATOM 99 HA LEU A 7 2.761 -1.623 1.097 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.665 0.635 0.390 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.701 1.359 1.680 1.00 0.00 H ATOM 102 HG LEU A 7 4.411 -0.935 2.470 1.00 0.00 H ATOM 103 HD11 LEU A 7 6.189 -0.037 1.323 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.247 1.018 2.735 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.466 1.570 1.254 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.847 1.210 4.156 1.00 0.00 H ATOM 107 HD22 LEU A 7 3.612 -0.026 4.392 1.00 0.00 H ATOM 108 HD23 LEU A 7 3.198 1.494 3.599 1.00 0.00 H ATOM 109 N GLU A 8 0.509 0.135 2.752 1.00 0.00 N ATOM 110 CA GLU A 8 -0.359 0.087 3.959 1.00 0.00 C ATOM 111 C GLU A 8 -1.239 -1.157 3.877 1.00 0.00 C ATOM 112 O GLU A 8 -1.644 -1.718 4.876 1.00 0.00 O ATOM 113 CB GLU A 8 -1.206 1.358 3.894 1.00 0.00 C ATOM 114 CG GLU A 8 -2.121 1.426 5.119 1.00 0.00 C ATOM 115 CD GLU A 8 -2.793 2.799 5.179 1.00 0.00 C ATOM 116 OE1 GLU A 8 -3.340 3.214 4.172 1.00 0.00 O ATOM 117 OE2 GLU A 8 -2.746 3.413 6.232 1.00 0.00 O ATOM 118 H GLU A 8 0.398 0.854 2.098 1.00 0.00 H ATOM 119 HA GLU A 8 0.236 0.075 4.857 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.557 2.222 3.880 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.807 1.344 2.998 1.00 0.00 H ATOM 122 HG2 GLU A 8 -2.877 0.657 5.045 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.538 1.272 6.014 1.00 0.00 H ATOM 124 N GLU A 9 -1.516 -1.601 2.681 1.00 0.00 N ATOM 125 CA GLU A 9 -2.349 -2.824 2.514 1.00 0.00 C ATOM 126 C GLU A 9 -1.468 -4.054 2.712 1.00 0.00 C ATOM 127 O GLU A 9 -1.936 -5.129 3.033 1.00 0.00 O ATOM 128 CB GLU A 9 -2.869 -2.762 1.077 1.00 0.00 C ATOM 129 CG GLU A 9 -4.353 -2.389 1.085 1.00 0.00 C ATOM 130 CD GLU A 9 -5.157 -3.511 1.747 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.545 -4.361 2.372 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.369 -3.498 1.617 1.00 0.00 O ATOM 133 H GLU A 9 -1.161 -1.135 1.892 1.00 0.00 H ATOM 134 HA GLU A 9 -3.170 -2.825 3.211 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.313 -2.017 0.525 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.745 -3.726 0.607 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.489 -1.471 1.638 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.695 -2.253 0.071 1.00 0.00 H ATOM 139 N PHE A 10 -0.186 -3.891 2.534 1.00 0.00 N ATOM 140 CA PHE A 10 0.751 -5.032 2.720 1.00 0.00 C ATOM 141 C PHE A 10 1.145 -5.131 4.194 1.00 0.00 C ATOM 142 O PHE A 10 1.589 -6.159 4.665 1.00 0.00 O ATOM 143 CB PHE A 10 1.965 -4.688 1.855 1.00 0.00 C ATOM 144 CG PHE A 10 2.920 -5.857 1.826 1.00 0.00 C ATOM 145 CD1 PHE A 10 2.622 -6.988 1.057 1.00 0.00 C ATOM 146 CD2 PHE A 10 4.107 -5.809 2.569 1.00 0.00 C ATOM 147 CE1 PHE A 10 3.509 -8.071 1.030 1.00 0.00 C ATOM 148 CE2 PHE A 10 4.995 -6.892 2.541 1.00 0.00 C ATOM 149 CZ PHE A 10 4.695 -8.023 1.772 1.00 0.00 C ATOM 150 H PHE A 10 0.163 -3.010 2.286 1.00 0.00 H ATOM 151 HA PHE A 10 0.300 -5.953 2.382 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.638 -4.466 0.850 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.466 -3.825 2.269 1.00 0.00 H ATOM 154 HD1 PHE A 10 1.707 -7.025 0.484 1.00 0.00 H ATOM 155 HD2 PHE A 10 4.339 -4.937 3.162 1.00 0.00 H ATOM 156 HE1 PHE A 10 3.279 -8.942 0.436 1.00 0.00 H ATOM 157 HE2 PHE A 10 5.910 -6.855 3.114 1.00 0.00 H ATOM 158 HZ PHE A 10 5.380 -8.859 1.751 1.00 0.00 H ATOM 159 N LEU A 11 0.980 -4.062 4.925 1.00 0.00 N ATOM 160 CA LEU A 11 1.340 -4.083 6.372 1.00 0.00 C ATOM 161 C LEU A 11 0.812 -5.361 7.031 1.00 0.00 C ATOM 162 O LEU A 11 1.575 -6.168 7.523 1.00 0.00 O ATOM 163 CB LEU A 11 0.652 -2.852 6.966 1.00 0.00 C ATOM 164 CG LEU A 11 1.706 -1.825 7.380 1.00 0.00 C ATOM 165 CD1 LEU A 11 2.479 -2.349 8.590 1.00 0.00 C ATOM 166 CD2 LEU A 11 2.675 -1.593 6.217 1.00 0.00 C ATOM 167 H LEU A 11 0.618 -3.244 4.521 1.00 0.00 H ATOM 168 HA LEU A 11 2.407 -4.004 6.498 1.00 0.00 H ATOM 169 HB2 LEU A 11 -0.006 -2.416 6.228 1.00 0.00 H ATOM 170 HB3 LEU A 11 0.078 -3.144 7.832 1.00 0.00 H ATOM 171 HG LEU A 11 1.220 -0.894 7.638 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.537 -2.204 8.432 1.00 0.00 H ATOM 173 HD12 LEU A 11 2.274 -3.401 8.720 1.00 0.00 H ATOM 174 HD13 LEU A 11 2.170 -1.810 9.475 1.00 0.00 H ATOM 175 HD21 LEU A 11 2.781 -0.532 6.042 1.00 0.00 H ATOM 176 HD22 LEU A 11 2.289 -2.067 5.326 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.639 -2.015 6.460 1.00 0.00 H HETATM 178 N NH2 A 12 -0.474 -5.579 7.063 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -1.091 -4.929 6.667 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.822 -6.392 7.483 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 35 HETATM 1 C ACE A 1 -0.433 5.702 -4.118 1.00 0.00 C HETATM 2 O ACE A 1 -0.702 5.228 -3.030 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.094 7.131 -4.254 1.00 0.00 C HETATM 4 H1 ACE A 1 0.641 7.226 -5.181 1.00 0.00 H HETATM 5 H2 ACE A 1 0.750 7.355 -3.426 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.735 7.824 -4.253 1.00 0.00 H ATOM 7 N LEU A 2 -0.577 5.004 -5.213 1.00 0.00 N ATOM 8 CA LEU A 2 -1.079 3.604 -5.137 1.00 0.00 C ATOM 9 C LEU A 2 -0.033 2.725 -4.458 1.00 0.00 C ATOM 10 O LEU A 2 -0.353 1.766 -3.784 1.00 0.00 O ATOM 11 CB LEU A 2 -1.293 3.172 -6.588 1.00 0.00 C ATOM 12 CG LEU A 2 -2.762 3.369 -6.968 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.643 2.473 -6.096 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.154 4.832 -6.747 1.00 0.00 C ATOM 15 H LEU A 2 -0.347 5.397 -6.080 1.00 0.00 H ATOM 16 HA LEU A 2 -2.010 3.566 -4.596 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.669 3.768 -7.238 1.00 0.00 H ATOM 18 HB3 LEU A 2 -1.034 2.130 -6.696 1.00 0.00 H ATOM 19 HG LEU A 2 -2.903 3.111 -8.008 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.020 1.897 -5.428 1.00 0.00 H ATOM 21 HD12 LEU A 2 -4.211 1.804 -6.726 1.00 0.00 H ATOM 22 HD13 LEU A 2 -4.319 3.086 -5.519 1.00 0.00 H ATOM 23 HD21 LEU A 2 -2.480 5.473 -7.297 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.093 5.066 -5.694 1.00 0.00 H ATOM 25 HD23 LEU A 2 -4.164 4.992 -7.094 1.00 0.00 H ATOM 26 N VAL A 3 1.216 3.058 -4.613 1.00 0.00 N ATOM 27 CA VAL A 3 2.282 2.255 -3.956 1.00 0.00 C ATOM 28 C VAL A 3 2.152 2.411 -2.442 1.00 0.00 C ATOM 29 O VAL A 3 2.441 1.508 -1.679 1.00 0.00 O ATOM 30 CB VAL A 3 3.596 2.860 -4.449 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.771 2.045 -3.905 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.625 2.834 -5.980 1.00 0.00 C ATOM 33 H VAL A 3 1.452 3.848 -5.146 1.00 0.00 H ATOM 34 HA VAL A 3 2.212 1.218 -4.244 1.00 0.00 H ATOM 35 HB VAL A 3 3.676 3.880 -4.103 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.515 2.715 -3.500 1.00 0.00 H ATOM 37 HG12 VAL A 3 5.205 1.462 -4.702 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.420 1.385 -3.125 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.298 3.597 -6.340 1.00 0.00 H ATOM 40 HG22 VAL A 3 2.631 3.021 -6.361 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.964 1.866 -6.317 1.00 0.00 H ATOM 42 N GLY A 4 1.697 3.554 -2.009 1.00 0.00 N ATOM 43 CA GLY A 4 1.525 3.789 -0.549 1.00 0.00 C ATOM 44 C GLY A 4 0.268 3.065 -0.084 1.00 0.00 C ATOM 45 O GLY A 4 0.267 2.384 0.921 1.00 0.00 O ATOM 46 H GLY A 4 1.456 4.256 -2.649 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.385 3.407 -0.018 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.420 4.846 -0.360 1.00 0.00 H ATOM 49 N ARG A 5 -0.801 3.192 -0.820 1.00 0.00 N ATOM 50 CA ARG A 5 -2.053 2.492 -0.426 1.00 0.00 C ATOM 51 C ARG A 5 -1.772 0.993 -0.320 1.00 0.00 C ATOM 52 O ARG A 5 -2.119 0.348 0.652 1.00 0.00 O ATOM 53 CB ARG A 5 -3.043 2.780 -1.555 1.00 0.00 C ATOM 54 CG ARG A 5 -3.387 4.270 -1.565 1.00 0.00 C ATOM 55 CD ARG A 5 -3.941 4.655 -2.939 1.00 0.00 C ATOM 56 NE ARG A 5 -4.670 5.935 -2.713 1.00 0.00 N ATOM 57 CZ ARG A 5 -4.122 7.068 -3.057 1.00 0.00 C ATOM 58 NH1 ARG A 5 -3.793 7.282 -4.302 1.00 0.00 N ATOM 59 NH2 ARG A 5 -3.902 7.987 -2.158 1.00 0.00 N ATOM 60 H ARG A 5 -0.776 3.737 -1.636 1.00 0.00 H ATOM 61 HA ARG A 5 -2.428 2.877 0.509 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.598 2.506 -2.501 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.943 2.205 -1.399 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.128 4.473 -0.806 1.00 0.00 H ATOM 65 HG3 ARG A 5 -2.498 4.847 -1.364 1.00 0.00 H ATOM 66 HD2 ARG A 5 -3.132 4.800 -3.643 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.622 3.899 -3.296 1.00 0.00 H ATOM 68 HE ARG A 5 -5.561 5.925 -2.306 1.00 0.00 H ATOM 69 HH11 ARG A 5 -3.961 6.578 -4.992 1.00 0.00 H ATOM 70 HH12 ARG A 5 -3.373 8.150 -4.566 1.00 0.00 H ATOM 71 HH21 ARG A 5 -4.153 7.824 -1.204 1.00 0.00 H ATOM 72 HH22 ARG A 5 -3.483 8.856 -2.422 1.00 0.00 H ATOM 73 N GLN A 6 -1.127 0.437 -1.309 1.00 0.00 N ATOM 74 CA GLN A 6 -0.806 -1.016 -1.258 1.00 0.00 C ATOM 75 C GLN A 6 0.112 -1.287 -0.066 1.00 0.00 C ATOM 76 O GLN A 6 -0.104 -2.205 0.699 1.00 0.00 O ATOM 77 CB GLN A 6 -0.087 -1.321 -2.574 1.00 0.00 C ATOM 78 CG GLN A 6 -1.071 -1.202 -3.742 1.00 0.00 C ATOM 79 CD GLN A 6 -2.373 -1.927 -3.398 1.00 0.00 C ATOM 80 OE1 GLN A 6 -2.460 -3.134 -3.512 1.00 0.00 O ATOM 81 NE2 GLN A 6 -3.398 -1.236 -2.977 1.00 0.00 N ATOM 82 H GLN A 6 -0.841 0.977 -2.077 1.00 0.00 H ATOM 83 HA GLN A 6 -1.709 -1.601 -1.181 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.723 -0.619 -2.712 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.309 -2.325 -2.541 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.277 -0.159 -3.934 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.635 -1.649 -4.624 1.00 0.00 H ATOM 88 HE21 GLN A 6 -3.329 -0.264 -2.886 1.00 0.00 H ATOM 89 HE22 GLN A 6 -4.237 -1.691 -2.754 1.00 0.00 H ATOM 90 N LEU A 7 1.129 -0.486 0.106 1.00 0.00 N ATOM 91 CA LEU A 7 2.046 -0.698 1.260 1.00 0.00 C ATOM 92 C LEU A 7 1.241 -0.734 2.556 1.00 0.00 C ATOM 93 O LEU A 7 1.421 -1.599 3.389 1.00 0.00 O ATOM 94 CB LEU A 7 2.992 0.502 1.249 1.00 0.00 C ATOM 95 CG LEU A 7 4.423 0.031 1.514 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.386 0.793 0.603 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.785 0.299 2.976 1.00 0.00 C ATOM 98 H LEU A 7 1.285 0.258 -0.518 1.00 0.00 H ATOM 99 HA LEU A 7 2.601 -1.612 1.136 1.00 0.00 H ATOM 100 HB2 LEU A 7 2.945 0.989 0.286 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.698 1.199 2.019 1.00 0.00 H ATOM 102 HG LEU A 7 4.496 -1.028 1.310 1.00 0.00 H ATOM 103 HD11 LEU A 7 6.086 1.351 1.206 1.00 0.00 H ATOM 104 HD12 LEU A 7 4.827 1.475 -0.022 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.923 0.094 -0.020 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.586 -0.585 3.565 1.00 0.00 H ATOM 107 HD22 LEU A 7 4.192 1.121 3.349 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.833 0.550 3.047 1.00 0.00 H ATOM 109 N GLU A 8 0.340 0.193 2.724 1.00 0.00 N ATOM 110 CA GLU A 8 -0.491 0.203 3.956 1.00 0.00 C ATOM 111 C GLU A 8 -1.335 -1.065 3.990 1.00 0.00 C ATOM 112 O GLU A 8 -1.683 -1.571 5.038 1.00 0.00 O ATOM 113 CB GLU A 8 -1.378 1.441 3.829 1.00 0.00 C ATOM 114 CG GLU A 8 -2.527 1.351 4.833 1.00 0.00 C ATOM 115 CD GLU A 8 -2.775 2.728 5.450 1.00 0.00 C ATOM 116 OE1 GLU A 8 -2.748 3.699 4.711 1.00 0.00 O ATOM 117 OE2 GLU A 8 -2.985 2.789 6.650 1.00 0.00 O ATOM 118 H GLU A 8 0.200 0.871 2.035 1.00 0.00 H ATOM 119 HA GLU A 8 0.130 0.273 4.836 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.792 2.327 4.029 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.780 1.493 2.829 1.00 0.00 H ATOM 122 HG2 GLU A 8 -3.422 1.016 4.327 1.00 0.00 H ATOM 123 HG3 GLU A 8 -2.271 0.649 5.614 1.00 0.00 H ATOM 124 N GLU A 9 -1.654 -1.587 2.838 1.00 0.00 N ATOM 125 CA GLU A 9 -2.466 -2.835 2.791 1.00 0.00 C ATOM 126 C GLU A 9 -1.540 -4.052 2.856 1.00 0.00 C ATOM 127 O GLU A 9 -1.977 -5.170 3.041 1.00 0.00 O ATOM 128 CB GLU A 9 -3.205 -2.783 1.452 1.00 0.00 C ATOM 129 CG GLU A 9 -4.535 -3.529 1.575 1.00 0.00 C ATOM 130 CD GLU A 9 -5.691 -2.539 1.418 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.557 -1.422 1.888 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.692 -2.917 0.832 1.00 0.00 O ATOM 133 H GLU A 9 -1.348 -1.161 2.003 1.00 0.00 H ATOM 134 HA GLU A 9 -3.171 -2.854 3.604 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.391 -1.753 1.183 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.601 -3.251 0.688 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.598 -4.282 0.803 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.596 -4.000 2.544 1.00 0.00 H ATOM 139 N PHE A 10 -0.262 -3.836 2.714 1.00 0.00 N ATOM 140 CA PHE A 10 0.705 -4.968 2.775 1.00 0.00 C ATOM 141 C PHE A 10 1.361 -5.015 4.156 1.00 0.00 C ATOM 142 O PHE A 10 1.974 -5.994 4.532 1.00 0.00 O ATOM 143 CB PHE A 10 1.747 -4.651 1.698 1.00 0.00 C ATOM 144 CG PHE A 10 2.603 -5.867 1.412 1.00 0.00 C ATOM 145 CD1 PHE A 10 2.365 -7.080 2.075 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.639 -5.778 0.473 1.00 0.00 C ATOM 147 CE1 PHE A 10 3.163 -8.198 1.799 1.00 0.00 C ATOM 148 CE2 PHE A 10 4.436 -6.896 0.198 1.00 0.00 C ATOM 149 CZ PHE A 10 4.197 -8.105 0.861 1.00 0.00 C ATOM 150 H PHE A 10 0.066 -2.923 2.572 1.00 0.00 H ATOM 151 HA PHE A 10 0.212 -5.901 2.553 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.243 -4.351 0.791 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.377 -3.843 2.039 1.00 0.00 H ATOM 154 HD1 PHE A 10 1.569 -7.153 2.800 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.823 -4.844 -0.038 1.00 0.00 H ATOM 156 HE1 PHE A 10 2.979 -9.131 2.310 1.00 0.00 H ATOM 157 HE2 PHE A 10 5.234 -6.824 -0.526 1.00 0.00 H ATOM 158 HZ PHE A 10 4.812 -8.967 0.648 1.00 0.00 H ATOM 159 N LEU A 11 1.236 -3.959 4.915 1.00 0.00 N ATOM 160 CA LEU A 11 1.855 -3.938 6.273 1.00 0.00 C ATOM 161 C LEU A 11 0.858 -4.448 7.317 1.00 0.00 C ATOM 162 O LEU A 11 0.157 -3.676 7.941 1.00 0.00 O ATOM 163 CB LEU A 11 2.198 -2.468 6.527 1.00 0.00 C ATOM 164 CG LEU A 11 3.569 -2.369 7.200 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.667 -2.630 6.168 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.747 -0.964 7.783 1.00 0.00 C ATOM 167 H LEU A 11 0.736 -3.179 4.591 1.00 0.00 H ATOM 168 HA LEU A 11 2.754 -4.533 6.286 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.219 -1.937 5.587 1.00 0.00 H ATOM 170 HB3 LEU A 11 1.451 -2.030 7.171 1.00 0.00 H ATOM 171 HG LEU A 11 3.636 -3.102 7.992 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.660 -3.674 5.891 1.00 0.00 H ATOM 173 HD12 LEU A 11 5.628 -2.379 6.593 1.00 0.00 H ATOM 174 HD13 LEU A 11 4.490 -2.024 5.293 1.00 0.00 H ATOM 175 HD21 LEU A 11 2.973 -0.316 7.402 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.714 -0.577 7.498 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.681 -1.010 8.860 1.00 0.00 H HETATM 178 N NH2 A 12 0.765 -5.732 7.538 1.00 0.00 N HETATM 179 HN1 NH2 A 12 1.329 -6.356 7.037 1.00 0.00 H HETATM 180 HN2 NH2 A 12 0.130 -6.070 8.205 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 36 HETATM 1 C ACE A 1 -0.561 5.745 -4.018 1.00 0.00 C HETATM 2 O ACE A 1 -0.915 5.197 -2.992 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.045 7.185 -4.012 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.565 7.756 -4.768 1.00 0.00 H HETATM 5 H2 ACE A 1 1.014 7.188 -4.222 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.222 7.627 -3.042 1.00 0.00 H ATOM 7 N LEU A 2 -0.598 5.122 -5.165 1.00 0.00 N ATOM 8 CA LEU A 2 -1.085 3.716 -5.229 1.00 0.00 C ATOM 9 C LEU A 2 -0.080 2.802 -4.535 1.00 0.00 C ATOM 10 O LEU A 2 -0.441 1.844 -3.881 1.00 0.00 O ATOM 11 CB LEU A 2 -1.176 3.390 -6.719 1.00 0.00 C ATOM 12 CG LEU A 2 -2.636 3.130 -7.094 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.791 3.186 -8.615 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.054 1.747 -6.591 1.00 0.00 C ATOM 15 H LEU A 2 -0.300 5.575 -5.980 1.00 0.00 H ATOM 16 HA LEU A 2 -2.056 3.632 -4.768 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.797 4.221 -7.295 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.591 2.507 -6.931 1.00 0.00 H ATOM 19 HG LEU A 2 -3.262 3.885 -6.642 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.838 3.144 -8.872 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.277 2.346 -9.060 1.00 0.00 H ATOM 22 HD13 LEU A 2 -2.365 4.106 -8.987 1.00 0.00 H ATOM 23 HD21 LEU A 2 -2.181 1.208 -6.251 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.526 1.199 -7.393 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.750 1.857 -5.771 1.00 0.00 H ATOM 26 N VAL A 3 1.181 3.103 -4.661 1.00 0.00 N ATOM 27 CA VAL A 3 2.213 2.264 -3.994 1.00 0.00 C ATOM 28 C VAL A 3 2.124 2.467 -2.481 1.00 0.00 C ATOM 29 O VAL A 3 2.473 1.600 -1.702 1.00 0.00 O ATOM 30 CB VAL A 3 3.552 2.768 -4.535 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.660 2.429 -6.023 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.640 4.285 -4.355 1.00 0.00 C ATOM 33 H VAL A 3 1.447 3.890 -5.184 1.00 0.00 H ATOM 34 HA VAL A 3 2.076 1.224 -4.248 1.00 0.00 H ATOM 35 HB VAL A 3 4.359 2.292 -3.999 1.00 0.00 H ATOM 36 HG11 VAL A 3 2.740 1.972 -6.355 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.480 1.743 -6.178 1.00 0.00 H ATOM 38 HG13 VAL A 3 3.837 3.334 -6.587 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.745 4.757 -5.320 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.496 4.525 -3.741 1.00 0.00 H ATOM 41 HG23 VAL A 3 2.742 4.644 -3.875 1.00 0.00 H ATOM 42 N GLY A 4 1.636 3.603 -2.063 1.00 0.00 N ATOM 43 CA GLY A 4 1.502 3.866 -0.604 1.00 0.00 C ATOM 44 C GLY A 4 0.289 3.099 -0.083 1.00 0.00 C ATOM 45 O GLY A 4 0.353 2.428 0.928 1.00 0.00 O ATOM 46 H GLY A 4 1.343 4.280 -2.710 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.393 3.534 -0.092 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.357 4.923 -0.436 1.00 0.00 H ATOM 49 N ARG A 5 -0.813 3.179 -0.779 1.00 0.00 N ATOM 50 CA ARG A 5 -2.022 2.438 -0.332 1.00 0.00 C ATOM 51 C ARG A 5 -1.712 0.940 -0.303 1.00 0.00 C ATOM 52 O ARG A 5 -2.044 0.241 0.635 1.00 0.00 O ATOM 53 CB ARG A 5 -3.092 2.752 -1.379 1.00 0.00 C ATOM 54 CG ARG A 5 -4.473 2.729 -0.722 1.00 0.00 C ATOM 55 CD ARG A 5 -5.412 3.680 -1.470 1.00 0.00 C ATOM 56 NE ARG A 5 -6.568 3.879 -0.553 1.00 0.00 N ATOM 57 CZ ARG A 5 -7.713 3.308 -0.812 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.840 2.015 -0.685 1.00 0.00 N ATOM 59 NH2 ARG A 5 -8.730 4.029 -1.198 1.00 0.00 N ATOM 60 H ARG A 5 -0.838 3.718 -1.599 1.00 0.00 H ATOM 61 HA ARG A 5 -2.341 2.780 0.641 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.907 3.730 -1.800 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.058 2.010 -2.164 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.873 1.727 -0.757 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.388 3.048 0.306 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.915 4.621 -1.664 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.745 3.232 -2.393 1.00 0.00 H ATOM 68 HE ARG A 5 -6.469 4.437 0.246 1.00 0.00 H ATOM 69 HH11 ARG A 5 -7.062 1.462 -0.390 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.718 1.577 -0.883 1.00 0.00 H ATOM 71 HH21 ARG A 5 -8.633 5.019 -1.295 1.00 0.00 H ATOM 72 HH22 ARG A 5 -9.607 3.591 -1.396 1.00 0.00 H ATOM 73 N GLN A 6 -1.061 0.445 -1.322 1.00 0.00 N ATOM 74 CA GLN A 6 -0.712 -1.002 -1.351 1.00 0.00 C ATOM 75 C GLN A 6 0.224 -1.326 -0.185 1.00 0.00 C ATOM 76 O GLN A 6 -0.023 -2.230 0.589 1.00 0.00 O ATOM 77 CB GLN A 6 -0.002 -1.216 -2.689 1.00 0.00 C ATOM 78 CG GLN A 6 0.140 -2.716 -2.958 1.00 0.00 C ATOM 79 CD GLN A 6 1.339 -2.959 -3.874 1.00 0.00 C ATOM 80 OE1 GLN A 6 2.227 -3.720 -3.544 1.00 0.00 O ATOM 81 NE2 GLN A 6 1.403 -2.340 -5.022 1.00 0.00 N ATOM 82 H GLN A 6 -0.793 1.029 -2.062 1.00 0.00 H ATOM 83 HA GLN A 6 -1.603 -1.608 -1.302 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.581 -0.761 -3.480 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.978 -0.764 -2.653 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.288 -3.237 -2.022 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.756 -3.082 -3.436 1.00 0.00 H ATOM 88 HE21 GLN A 6 0.687 -1.726 -5.288 1.00 0.00 H ATOM 89 HE22 GLN A 6 2.169 -2.488 -5.616 1.00 0.00 H ATOM 90 N LEU A 7 1.294 -0.589 -0.046 1.00 0.00 N ATOM 91 CA LEU A 7 2.233 -0.854 1.080 1.00 0.00 C ATOM 92 C LEU A 7 1.451 -0.918 2.393 1.00 0.00 C ATOM 93 O LEU A 7 1.617 -1.824 3.188 1.00 0.00 O ATOM 94 CB LEU A 7 3.196 0.334 1.084 1.00 0.00 C ATOM 95 CG LEU A 7 4.603 -0.145 0.723 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.556 -0.931 -0.588 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.525 1.067 0.556 1.00 0.00 C ATOM 98 H LEU A 7 1.475 0.143 -0.676 1.00 0.00 H ATOM 99 HA LEU A 7 2.772 -1.772 0.916 1.00 0.00 H ATOM 100 HB2 LEU A 7 2.867 1.067 0.361 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.212 0.781 2.068 1.00 0.00 H ATOM 102 HG LEU A 7 4.981 -0.781 1.511 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.016 -0.350 -1.374 1.00 0.00 H ATOM 104 HD12 LEU A 7 3.529 -1.138 -0.848 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.092 -1.862 -0.469 1.00 0.00 H ATOM 106 HD21 LEU A 7 6.487 0.739 0.191 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.649 1.559 1.509 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.088 1.756 -0.151 1.00 0.00 H ATOM 109 N GLU A 8 0.587 0.031 2.618 1.00 0.00 N ATOM 110 CA GLU A 8 -0.219 0.020 3.868 1.00 0.00 C ATOM 111 C GLU A 8 -1.163 -1.176 3.841 1.00 0.00 C ATOM 112 O GLU A 8 -1.587 -1.675 4.865 1.00 0.00 O ATOM 113 CB GLU A 8 -1.002 1.333 3.854 1.00 0.00 C ATOM 114 CG GLU A 8 -1.249 1.795 5.291 1.00 0.00 C ATOM 115 CD GLU A 8 -2.622 2.462 5.385 1.00 0.00 C ATOM 116 OE1 GLU A 8 -3.401 2.301 4.460 1.00 0.00 O ATOM 117 OE2 GLU A 8 -2.870 3.124 6.378 1.00 0.00 O ATOM 118 H GLU A 8 0.458 0.741 1.959 1.00 0.00 H ATOM 119 HA GLU A 8 0.425 -0.021 4.733 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.433 2.086 3.325 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.948 1.184 3.357 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.217 0.941 5.952 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.486 2.502 5.578 1.00 0.00 H ATOM 124 N GLU A 9 -1.483 -1.650 2.668 1.00 0.00 N ATOM 125 CA GLU A 9 -2.387 -2.829 2.565 1.00 0.00 C ATOM 126 C GLU A 9 -1.614 -4.089 2.951 1.00 0.00 C ATOM 127 O GLU A 9 -2.175 -5.059 3.420 1.00 0.00 O ATOM 128 CB GLU A 9 -2.810 -2.884 1.096 1.00 0.00 C ATOM 129 CG GLU A 9 -4.305 -3.202 1.005 1.00 0.00 C ATOM 130 CD GLU A 9 -4.529 -4.315 -0.020 1.00 0.00 C ATOM 131 OE1 GLU A 9 -3.571 -4.691 -0.675 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.654 -4.773 -0.131 1.00 0.00 O ATOM 133 H GLU A 9 -1.117 -1.236 1.856 1.00 0.00 H ATOM 134 HA GLU A 9 -3.247 -2.703 3.200 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.614 -1.930 0.629 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.250 -3.656 0.589 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.664 -3.522 1.972 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.842 -2.317 0.696 1.00 0.00 H ATOM 139 N PHE A 10 -0.324 -4.071 2.767 1.00 0.00 N ATOM 140 CA PHE A 10 0.500 -5.255 3.135 1.00 0.00 C ATOM 141 C PHE A 10 1.141 -5.024 4.504 1.00 0.00 C ATOM 142 O PHE A 10 1.723 -5.915 5.090 1.00 0.00 O ATOM 143 CB PHE A 10 1.572 -5.350 2.049 1.00 0.00 C ATOM 144 CG PHE A 10 1.129 -6.325 0.985 1.00 0.00 C ATOM 145 CD1 PHE A 10 -0.175 -6.267 0.480 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.024 -7.288 0.502 1.00 0.00 C ATOM 147 CE1 PHE A 10 -0.585 -7.171 -0.506 1.00 0.00 C ATOM 148 CE2 PHE A 10 1.614 -8.191 -0.485 1.00 0.00 C ATOM 149 CZ PHE A 10 0.310 -8.133 -0.990 1.00 0.00 C ATOM 150 H PHE A 10 0.106 -3.269 2.397 1.00 0.00 H ATOM 151 HA PHE A 10 -0.103 -6.149 3.143 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.721 -4.377 1.604 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.498 -5.693 2.486 1.00 0.00 H ATOM 154 HD1 PHE A 10 -0.865 -5.523 0.853 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.030 -7.332 0.892 1.00 0.00 H ATOM 156 HE1 PHE A 10 -1.591 -7.126 -0.895 1.00 0.00 H ATOM 157 HE2 PHE A 10 2.305 -8.934 -0.858 1.00 0.00 H ATOM 158 HZ PHE A 10 -0.006 -8.831 -1.751 1.00 0.00 H ATOM 159 N LEU A 11 1.035 -3.826 5.018 1.00 0.00 N ATOM 160 CA LEU A 11 1.636 -3.528 6.349 1.00 0.00 C ATOM 161 C LEU A 11 0.562 -3.584 7.440 1.00 0.00 C ATOM 162 O LEU A 11 0.861 -3.497 8.614 1.00 0.00 O ATOM 163 CB LEU A 11 2.194 -2.111 6.220 1.00 0.00 C ATOM 164 CG LEU A 11 3.672 -2.179 5.836 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.240 -0.762 5.748 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.437 -2.970 6.899 1.00 0.00 C ATOM 167 H LEU A 11 0.559 -3.122 4.525 1.00 0.00 H ATOM 168 HA LEU A 11 2.434 -4.220 6.568 1.00 0.00 H ATOM 169 HB2 LEU A 11 1.647 -1.578 5.455 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.091 -1.595 7.162 1.00 0.00 H ATOM 171 HG LEU A 11 3.773 -2.667 4.878 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.656 -0.183 5.049 1.00 0.00 H ATOM 173 HD12 LEU A 11 5.266 -0.806 5.412 1.00 0.00 H ATOM 174 HD13 LEU A 11 4.201 -0.298 6.723 1.00 0.00 H ATOM 175 HD21 LEU A 11 4.919 -3.819 6.437 1.00 0.00 H ATOM 176 HD22 LEU A 11 3.748 -3.316 7.656 1.00 0.00 H ATOM 177 HD23 LEU A 11 5.183 -2.335 7.353 1.00 0.00 H HETATM 178 N NH2 A 12 -0.688 -3.726 7.097 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.932 -3.797 6.150 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -1.385 -3.762 7.785 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 37 HETATM 1 C ACE A 1 -0.710 5.629 -3.996 1.00 0.00 C HETATM 2 O ACE A 1 -0.981 5.086 -2.942 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.269 7.093 -4.042 1.00 0.00 C HETATM 4 H1 ACE A 1 -1.077 7.700 -4.424 1.00 0.00 H HETATM 5 H2 ACE A 1 0.591 7.189 -4.689 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.008 7.423 -3.047 1.00 0.00 H ATOM 7 N LEU A 2 -0.778 4.984 -5.128 1.00 0.00 N ATOM 8 CA LEU A 2 -1.196 3.555 -5.141 1.00 0.00 C ATOM 9 C LEU A 2 -0.113 2.706 -4.482 1.00 0.00 C ATOM 10 O LEU A 2 -0.392 1.726 -3.820 1.00 0.00 O ATOM 11 CB LEU A 2 -1.358 3.195 -6.617 1.00 0.00 C ATOM 12 CG LEU A 2 -2.747 3.628 -7.087 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.638 4.946 -7.854 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.334 2.551 -8.001 1.00 0.00 C ATOM 15 H LEU A 2 -0.548 5.435 -5.966 1.00 0.00 H ATOM 16 HA LEU A 2 -2.134 3.434 -4.624 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.603 3.706 -7.198 1.00 0.00 H ATOM 18 HB3 LEU A 2 -1.252 2.129 -6.744 1.00 0.00 H ATOM 19 HG LEU A 2 -3.389 3.765 -6.229 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.835 4.771 -8.902 1.00 0.00 H ATOM 21 HD12 LEU A 2 -1.642 5.348 -7.737 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.358 5.650 -7.465 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.962 1.891 -7.421 1.00 0.00 H ATOM 24 HD22 LEU A 2 -2.533 1.983 -8.450 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.924 3.019 -8.777 1.00 0.00 H ATOM 26 N VAL A 3 1.124 3.091 -4.635 1.00 0.00 N ATOM 27 CA VAL A 3 2.219 2.318 -3.988 1.00 0.00 C ATOM 28 C VAL A 3 2.135 2.529 -2.474 1.00 0.00 C ATOM 29 O VAL A 3 2.509 1.676 -1.689 1.00 0.00 O ATOM 30 CB VAL A 3 3.520 2.889 -4.563 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.596 4.392 -4.293 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.715 2.192 -3.909 1.00 0.00 C ATOM 33 H VAL A 3 1.327 3.898 -5.157 1.00 0.00 H ATOM 34 HA VAL A 3 2.132 1.269 -4.228 1.00 0.00 H ATOM 35 HB VAL A 3 3.542 2.717 -5.629 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.533 4.623 -3.806 1.00 0.00 H ATOM 37 HG12 VAL A 3 2.780 4.687 -3.657 1.00 0.00 H ATOM 38 HG13 VAL A 3 3.536 4.929 -5.228 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.481 1.961 -2.881 1.00 0.00 H ATOM 40 HG22 VAL A 3 5.574 2.846 -3.943 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.936 1.280 -4.444 1.00 0.00 H ATOM 42 N GLY A 4 1.607 3.652 -2.064 1.00 0.00 N ATOM 43 CA GLY A 4 1.458 3.920 -0.608 1.00 0.00 C ATOM 44 C GLY A 4 0.313 3.061 -0.083 1.00 0.00 C ATOM 45 O GLY A 4 0.419 2.422 0.945 1.00 0.00 O ATOM 46 H GLY A 4 1.284 4.309 -2.715 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.374 3.667 -0.094 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.226 4.962 -0.451 1.00 0.00 H ATOM 49 N ARG A 5 -0.778 3.027 -0.798 1.00 0.00 N ATOM 50 CA ARG A 5 -1.924 2.190 -0.357 1.00 0.00 C ATOM 51 C ARG A 5 -1.478 0.730 -0.294 1.00 0.00 C ATOM 52 O ARG A 5 -1.755 0.021 0.652 1.00 0.00 O ATOM 53 CB ARG A 5 -2.988 2.371 -1.438 1.00 0.00 C ATOM 54 CG ARG A 5 -4.044 3.366 -0.956 1.00 0.00 C ATOM 55 CD ARG A 5 -5.188 3.422 -1.971 1.00 0.00 C ATOM 56 NE ARG A 5 -5.708 4.814 -1.886 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.834 5.051 -1.271 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.057 4.532 -0.095 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.736 5.809 -1.831 1.00 0.00 N ATOM 60 H ARG A 5 -0.836 3.540 -1.633 1.00 0.00 H ATOM 61 HA ARG A 5 -2.298 2.520 0.598 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.525 2.745 -2.340 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.459 1.422 -1.642 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.426 3.048 0.004 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.600 4.344 -0.862 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.817 3.216 -2.966 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.963 2.721 -1.705 1.00 0.00 H ATOM 68 HE ARG A 5 -5.206 5.550 -2.291 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.365 3.952 0.335 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.920 4.713 0.376 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.564 6.207 -2.732 1.00 0.00 H ATOM 72 HH22 ARG A 5 -8.598 5.991 -1.358 1.00 0.00 H ATOM 73 N GLN A 6 -0.779 0.285 -1.302 1.00 0.00 N ATOM 74 CA GLN A 6 -0.300 -1.124 -1.317 1.00 0.00 C ATOM 75 C GLN A 6 0.566 -1.393 -0.086 1.00 0.00 C ATOM 76 O GLN A 6 0.326 -2.320 0.660 1.00 0.00 O ATOM 77 CB GLN A 6 0.533 -1.249 -2.593 1.00 0.00 C ATOM 78 CG GLN A 6 0.099 -2.498 -3.362 1.00 0.00 C ATOM 79 CD GLN A 6 1.118 -2.805 -4.459 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.828 -2.663 -5.631 1.00 0.00 O ATOM 81 NE2 GLN A 6 2.309 -3.224 -4.130 1.00 0.00 N ATOM 82 H GLN A 6 -0.566 0.880 -2.050 1.00 0.00 H ATOM 83 HA GLN A 6 -1.133 -1.807 -1.352 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.382 -0.374 -3.210 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.579 -1.333 -2.335 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.037 -3.335 -2.681 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.868 -2.325 -3.810 1.00 0.00 H ATOM 88 HE21 GLN A 6 2.544 -3.339 -3.184 1.00 0.00 H ATOM 89 HE22 GLN A 6 2.969 -3.423 -4.827 1.00 0.00 H ATOM 90 N LEU A 7 1.572 -0.590 0.135 1.00 0.00 N ATOM 91 CA LEU A 7 2.446 -0.808 1.322 1.00 0.00 C ATOM 92 C LEU A 7 1.606 -0.818 2.603 1.00 0.00 C ATOM 93 O LEU A 7 1.718 -1.710 3.421 1.00 0.00 O ATOM 94 CB LEU A 7 3.418 0.370 1.321 1.00 0.00 C ATOM 95 CG LEU A 7 4.678 -0.005 2.101 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.903 0.149 1.195 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.817 0.921 3.311 1.00 0.00 C ATOM 98 H LEU A 7 1.753 0.158 -0.481 1.00 0.00 H ATOM 99 HA LEU A 7 2.989 -1.734 1.223 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.684 0.617 0.303 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.950 1.222 1.788 1.00 0.00 H ATOM 102 HG LEU A 7 4.604 -1.031 2.436 1.00 0.00 H ATOM 103 HD11 LEU A 7 6.484 -0.762 1.216 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.509 0.972 1.544 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.578 0.345 0.183 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.781 1.949 2.981 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.758 0.734 3.805 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.005 0.737 4.000 1.00 0.00 H ATOM 109 N GLU A 8 0.762 0.161 2.784 1.00 0.00 N ATOM 110 CA GLU A 8 -0.081 0.191 4.013 1.00 0.00 C ATOM 111 C GLU A 8 -1.176 -0.870 3.914 1.00 0.00 C ATOM 112 O GLU A 8 -1.781 -1.248 4.897 1.00 0.00 O ATOM 113 CB GLU A 8 -0.690 1.594 4.054 1.00 0.00 C ATOM 114 CG GLU A 8 0.422 2.629 4.233 1.00 0.00 C ATOM 115 CD GLU A 8 0.752 2.774 5.720 1.00 0.00 C ATOM 116 OE1 GLU A 8 0.986 1.759 6.355 1.00 0.00 O ATOM 117 OE2 GLU A 8 0.766 3.896 6.198 1.00 0.00 O ATOM 118 H GLU A 8 0.680 0.871 2.113 1.00 0.00 H ATOM 119 HA GLU A 8 0.527 0.023 4.888 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.216 1.786 3.131 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.380 1.663 4.883 1.00 0.00 H ATOM 122 HG2 GLU A 8 1.303 2.305 3.697 1.00 0.00 H ATOM 123 HG3 GLU A 8 0.093 3.581 3.844 1.00 0.00 H ATOM 124 N GLU A 9 -1.425 -1.367 2.733 1.00 0.00 N ATOM 125 CA GLU A 9 -2.469 -2.417 2.575 1.00 0.00 C ATOM 126 C GLU A 9 -1.831 -3.783 2.815 1.00 0.00 C ATOM 127 O GLU A 9 -2.486 -4.739 3.183 1.00 0.00 O ATOM 128 CB GLU A 9 -2.963 -2.286 1.133 1.00 0.00 C ATOM 129 CG GLU A 9 -3.999 -1.162 1.053 1.00 0.00 C ATOM 130 CD GLU A 9 -5.396 -1.728 1.316 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.912 -2.407 0.444 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.926 -1.473 2.385 1.00 0.00 O ATOM 133 H GLU A 9 -0.915 -1.058 1.953 1.00 0.00 H ATOM 134 HA GLU A 9 -3.278 -2.251 3.266 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.130 -2.056 0.486 1.00 0.00 H ATOM 136 HB3 GLU A 9 -3.418 -3.214 0.821 1.00 0.00 H ATOM 137 HG2 GLU A 9 -3.770 -0.410 1.794 1.00 0.00 H ATOM 138 HG3 GLU A 9 -3.973 -0.717 0.069 1.00 0.00 H ATOM 139 N PHE A 10 -0.546 -3.862 2.630 1.00 0.00 N ATOM 140 CA PHE A 10 0.173 -5.142 2.865 1.00 0.00 C ATOM 141 C PHE A 10 0.858 -5.075 4.235 1.00 0.00 C ATOM 142 O PHE A 10 1.337 -6.063 4.753 1.00 0.00 O ATOM 143 CB PHE A 10 1.201 -5.231 1.727 1.00 0.00 C ATOM 144 CG PHE A 10 2.407 -6.030 2.171 1.00 0.00 C ATOM 145 CD1 PHE A 10 2.439 -7.416 1.981 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.492 -5.380 2.773 1.00 0.00 C ATOM 147 CE1 PHE A 10 3.556 -8.154 2.395 1.00 0.00 C ATOM 148 CE2 PHE A 10 4.608 -6.117 3.186 1.00 0.00 C ATOM 149 CZ PHE A 10 4.640 -7.503 2.996 1.00 0.00 C ATOM 150 H PHE A 10 -0.044 -3.066 2.354 1.00 0.00 H ATOM 151 HA PHE A 10 -0.509 -5.976 2.821 1.00 0.00 H ATOM 152 HB2 PHE A 10 0.747 -5.712 0.874 1.00 0.00 H ATOM 153 HB3 PHE A 10 1.513 -4.235 1.452 1.00 0.00 H ATOM 154 HD1 PHE A 10 1.603 -7.917 1.516 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.467 -4.311 2.920 1.00 0.00 H ATOM 156 HE1 PHE A 10 3.581 -9.223 2.249 1.00 0.00 H ATOM 157 HE2 PHE A 10 5.444 -5.615 3.650 1.00 0.00 H ATOM 158 HZ PHE A 10 5.501 -8.072 3.316 1.00 0.00 H ATOM 159 N LEU A 11 0.903 -3.905 4.819 1.00 0.00 N ATOM 160 CA LEU A 11 1.555 -3.755 6.151 1.00 0.00 C ATOM 161 C LEU A 11 1.485 -2.297 6.610 1.00 0.00 C ATOM 162 O LEU A 11 2.182 -1.447 6.092 1.00 0.00 O ATOM 163 CB LEU A 11 3.007 -4.176 5.931 1.00 0.00 C ATOM 164 CG LEU A 11 3.579 -4.734 7.235 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.011 -6.133 7.482 1.00 0.00 C ATOM 166 CD2 LEU A 11 5.104 -4.813 7.128 1.00 0.00 C ATOM 167 H LEU A 11 0.507 -3.122 4.380 1.00 0.00 H ATOM 168 HA LEU A 11 1.088 -4.404 6.875 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.051 -4.934 5.162 1.00 0.00 H ATOM 170 HB3 LEU A 11 3.587 -3.318 5.623 1.00 0.00 H ATOM 171 HG LEU A 11 3.306 -4.085 8.054 1.00 0.00 H ATOM 172 HD11 LEU A 11 1.968 -6.056 7.749 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.554 -6.605 8.287 1.00 0.00 H ATOM 174 HD13 LEU A 11 3.111 -6.726 6.585 1.00 0.00 H ATOM 175 HD21 LEU A 11 5.376 -5.510 6.348 1.00 0.00 H ATOM 176 HD22 LEU A 11 5.513 -5.151 8.069 1.00 0.00 H ATOM 177 HD23 LEU A 11 5.501 -3.837 6.893 1.00 0.00 H HETATM 178 N NH2 A 12 0.665 -1.969 7.570 1.00 0.00 N HETATM 179 HN1 NH2 A 12 0.102 -2.654 7.988 1.00 0.00 H HETATM 180 HN2 NH2 A 12 0.612 -1.038 7.872 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 38 HETATM 1 C ACE A 1 -0.484 5.895 -3.829 1.00 0.00 C HETATM 2 O ACE A 1 -0.692 5.306 -2.785 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.161 7.282 -3.843 1.00 0.00 C HETATM 4 H1 ACE A 1 1.078 7.259 -3.273 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.518 7.998 -3.406 1.00 0.00 H HETATM 6 H3 ACE A 1 0.378 7.569 -4.863 1.00 0.00 H ATOM 7 N LEU A 2 -0.794 5.360 -4.978 1.00 0.00 N ATOM 8 CA LEU A 2 -1.414 4.008 -5.020 1.00 0.00 C ATOM 9 C LEU A 2 -0.400 2.983 -4.529 1.00 0.00 C ATOM 10 O LEU A 2 -0.738 2.032 -3.851 1.00 0.00 O ATOM 11 CB LEU A 2 -1.769 3.769 -6.487 1.00 0.00 C ATOM 12 CG LEU A 2 -3.126 3.070 -6.570 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.980 3.728 -7.655 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.914 1.593 -6.910 1.00 0.00 C ATOM 15 H LEU A 2 -0.611 5.840 -5.811 1.00 0.00 H ATOM 16 HA LEU A 2 -2.305 3.981 -4.411 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.816 4.718 -7.005 1.00 0.00 H ATOM 18 HB3 LEU A 2 -1.015 3.146 -6.942 1.00 0.00 H ATOM 19 HG LEU A 2 -3.630 3.151 -5.617 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.425 3.757 -8.581 1.00 0.00 H ATOM 21 HD12 LEU A 2 -4.230 4.734 -7.353 1.00 0.00 H ATOM 22 HD13 LEU A 2 -4.887 3.159 -7.795 1.00 0.00 H ATOM 23 HD21 LEU A 2 -2.927 1.011 -6.002 1.00 0.00 H ATOM 24 HD22 LEU A 2 -1.960 1.472 -7.403 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.703 1.257 -7.566 1.00 0.00 H ATOM 26 N VAL A 3 0.848 3.185 -4.845 1.00 0.00 N ATOM 27 CA VAL A 3 1.889 2.235 -4.368 1.00 0.00 C ATOM 28 C VAL A 3 1.913 2.288 -2.843 1.00 0.00 C ATOM 29 O VAL A 3 2.155 1.303 -2.169 1.00 0.00 O ATOM 30 CB VAL A 3 3.205 2.743 -4.958 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.001 3.080 -6.435 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.656 4.001 -4.210 1.00 0.00 C ATOM 33 H VAL A 3 1.100 3.971 -5.372 1.00 0.00 H ATOM 34 HA VAL A 3 1.680 1.234 -4.713 1.00 0.00 H ATOM 35 HB VAL A 3 3.961 1.976 -4.865 1.00 0.00 H ATOM 36 HG11 VAL A 3 2.183 2.494 -6.828 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.903 2.855 -6.984 1.00 0.00 H ATOM 38 HG13 VAL A 3 2.770 4.131 -6.535 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.580 4.362 -4.636 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.807 3.766 -3.167 1.00 0.00 H ATOM 41 HG23 VAL A 3 2.897 4.763 -4.301 1.00 0.00 H ATOM 42 N GLY A 4 1.627 3.438 -2.298 1.00 0.00 N ATOM 43 CA GLY A 4 1.592 3.571 -0.819 1.00 0.00 C ATOM 44 C GLY A 4 0.379 2.801 -0.317 1.00 0.00 C ATOM 45 O GLY A 4 0.449 2.063 0.645 1.00 0.00 O ATOM 46 H GLY A 4 1.407 4.207 -2.866 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.496 3.156 -0.394 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.501 4.610 -0.544 1.00 0.00 H ATOM 49 N ARG A 5 -0.734 2.946 -0.987 1.00 0.00 N ATOM 50 CA ARG A 5 -1.949 2.196 -0.568 1.00 0.00 C ATOM 51 C ARG A 5 -1.592 0.716 -0.464 1.00 0.00 C ATOM 52 O ARG A 5 -1.956 0.036 0.475 1.00 0.00 O ATOM 53 CB ARG A 5 -2.970 2.427 -1.682 1.00 0.00 C ATOM 54 CG ARG A 5 -4.000 3.457 -1.221 1.00 0.00 C ATOM 55 CD ARG A 5 -3.333 4.830 -1.108 1.00 0.00 C ATOM 56 NE ARG A 5 -4.040 5.510 0.011 1.00 0.00 N ATOM 57 CZ ARG A 5 -5.206 6.059 -0.192 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.286 5.329 -0.152 1.00 0.00 N ATOM 59 NH2 ARG A 5 -5.292 7.338 -0.435 1.00 0.00 N ATOM 60 H ARG A 5 -0.761 3.532 -1.775 1.00 0.00 H ATOM 61 HA ARG A 5 -2.323 2.567 0.372 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.466 2.791 -2.565 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.470 1.498 -1.910 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.808 3.503 -1.938 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.390 3.169 -0.256 1.00 0.00 H ATOM 66 HD2 ARG A 5 -2.282 4.717 -0.881 1.00 0.00 H ATOM 67 HD3 ARG A 5 -3.465 5.388 -2.021 1.00 0.00 H ATOM 68 HE ARG A 5 -3.631 5.544 0.900 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.221 4.348 0.036 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.180 5.749 -0.311 1.00 0.00 H ATOM 71 HH21 ARG A 5 -4.463 7.898 -0.464 1.00 0.00 H ATOM 72 HH22 ARG A 5 -6.185 7.758 -0.593 1.00 0.00 H ATOM 73 N GLN A 6 -0.857 0.221 -1.422 1.00 0.00 N ATOM 74 CA GLN A 6 -0.444 -1.206 -1.382 1.00 0.00 C ATOM 75 C GLN A 6 0.474 -1.422 -0.179 1.00 0.00 C ATOM 76 O GLN A 6 0.364 -2.399 0.534 1.00 0.00 O ATOM 77 CB GLN A 6 0.310 -1.440 -2.692 1.00 0.00 C ATOM 78 CG GLN A 6 -0.522 -2.339 -3.607 1.00 0.00 C ATOM 79 CD GLN A 6 -1.680 -1.533 -4.200 1.00 0.00 C ATOM 80 OE1 GLN A 6 -1.564 -0.983 -5.277 1.00 0.00 O ATOM 81 NE2 GLN A 6 -2.800 -1.440 -3.536 1.00 0.00 N ATOM 82 H GLN A 6 -0.562 0.796 -2.159 1.00 0.00 H ATOM 83 HA GLN A 6 -1.307 -1.851 -1.327 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.485 -0.491 -3.181 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.256 -1.917 -2.484 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.102 -2.717 -4.405 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.918 -3.166 -3.036 1.00 0.00 H ATOM 88 HE21 GLN A 6 -2.894 -1.884 -2.667 1.00 0.00 H ATOM 89 HE22 GLN A 6 -3.547 -0.926 -3.907 1.00 0.00 H ATOM 90 N LEU A 7 1.371 -0.503 0.057 1.00 0.00 N ATOM 91 CA LEU A 7 2.288 -0.639 1.223 1.00 0.00 C ATOM 92 C LEU A 7 1.467 -0.768 2.510 1.00 0.00 C ATOM 93 O LEU A 7 1.582 -1.734 3.243 1.00 0.00 O ATOM 94 CB LEU A 7 3.107 0.654 1.230 1.00 0.00 C ATOM 95 CG LEU A 7 4.486 0.389 1.835 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.327 -0.343 3.170 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.306 -0.474 0.872 1.00 0.00 C ATOM 98 H LEU A 7 1.434 0.284 -0.529 1.00 0.00 H ATOM 99 HA LEU A 7 2.935 -1.490 1.099 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.220 1.010 0.215 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.595 1.400 1.819 1.00 0.00 H ATOM 102 HG LEU A 7 4.992 1.329 1.999 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.308 -1.408 2.996 1.00 0.00 H ATOM 104 HD12 LEU A 7 3.402 -0.038 3.639 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.155 -0.097 3.816 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.684 -1.262 0.474 1.00 0.00 H ATOM 107 HD22 LEU A 7 6.143 -0.908 1.400 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.672 0.139 0.061 1.00 0.00 H ATOM 109 N GLU A 8 0.621 0.187 2.778 1.00 0.00 N ATOM 110 CA GLU A 8 -0.220 0.109 4.002 1.00 0.00 C ATOM 111 C GLU A 8 -1.108 -1.126 3.903 1.00 0.00 C ATOM 112 O GLU A 8 -1.529 -1.692 4.894 1.00 0.00 O ATOM 113 CB GLU A 8 -1.061 1.386 3.996 1.00 0.00 C ATOM 114 CG GLU A 8 -1.953 1.422 5.238 1.00 0.00 C ATOM 115 CD GLU A 8 -3.383 1.776 4.825 1.00 0.00 C ATOM 116 OE1 GLU A 8 -3.939 1.056 4.012 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.897 2.762 5.327 1.00 0.00 O ATOM 118 H GLU A 8 0.527 0.945 2.168 1.00 0.00 H ATOM 119 HA GLU A 8 0.395 0.068 4.887 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.406 2.246 3.996 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.678 1.404 3.111 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.946 0.453 5.717 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.585 2.168 5.927 1.00 0.00 H ATOM 124 N GLU A 9 -1.375 -1.559 2.703 1.00 0.00 N ATOM 125 CA GLU A 9 -2.216 -2.771 2.519 1.00 0.00 C ATOM 126 C GLU A 9 -1.386 -3.998 2.883 1.00 0.00 C ATOM 127 O GLU A 9 -1.898 -5.009 3.322 1.00 0.00 O ATOM 128 CB GLU A 9 -2.585 -2.782 1.037 1.00 0.00 C ATOM 129 CG GLU A 9 -3.578 -3.912 0.770 1.00 0.00 C ATOM 130 CD GLU A 9 -4.889 -3.321 0.251 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.837 -2.567 -0.708 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.922 -3.630 0.821 1.00 0.00 O ATOM 133 H GLU A 9 -1.006 -1.092 1.922 1.00 0.00 H ATOM 134 HA GLU A 9 -3.103 -2.717 3.128 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.034 -1.835 0.772 1.00 0.00 H ATOM 136 HB3 GLU A 9 -1.696 -2.937 0.444 1.00 0.00 H ATOM 137 HG2 GLU A 9 -3.168 -4.586 0.032 1.00 0.00 H ATOM 138 HG3 GLU A 9 -3.766 -4.451 1.686 1.00 0.00 H ATOM 139 N PHE A 10 -0.096 -3.897 2.723 1.00 0.00 N ATOM 140 CA PHE A 10 0.794 -5.032 3.080 1.00 0.00 C ATOM 141 C PHE A 10 1.062 -4.991 4.581 1.00 0.00 C ATOM 142 O PHE A 10 1.417 -5.981 5.189 1.00 0.00 O ATOM 143 CB PHE A 10 2.089 -4.783 2.304 1.00 0.00 C ATOM 144 CG PHE A 10 1.991 -5.323 0.890 1.00 0.00 C ATOM 145 CD1 PHE A 10 0.847 -6.012 0.451 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.066 -5.135 0.013 1.00 0.00 C ATOM 147 CE1 PHE A 10 0.787 -6.508 -0.858 1.00 0.00 C ATOM 148 CE2 PHE A 10 3.004 -5.632 -1.293 1.00 0.00 C ATOM 149 CZ PHE A 10 1.866 -6.319 -1.728 1.00 0.00 C ATOM 150 H PHE A 10 0.290 -3.060 2.386 1.00 0.00 H ATOM 151 HA PHE A 10 0.357 -5.973 2.800 1.00 0.00 H ATOM 152 HB2 PHE A 10 2.281 -3.720 2.267 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.905 -5.272 2.815 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.010 -6.160 1.115 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.945 -4.603 0.346 1.00 0.00 H ATOM 156 HE1 PHE A 10 -0.090 -7.040 -1.194 1.00 0.00 H ATOM 157 HE2 PHE A 10 3.835 -5.484 -1.967 1.00 0.00 H ATOM 158 HZ PHE A 10 1.820 -6.703 -2.736 1.00 0.00 H ATOM 159 N LEU A 11 0.891 -3.845 5.184 1.00 0.00 N ATOM 160 CA LEU A 11 1.132 -3.733 6.649 1.00 0.00 C ATOM 161 C LEU A 11 0.013 -4.430 7.428 1.00 0.00 C ATOM 162 O LEU A 11 -0.720 -3.800 8.164 1.00 0.00 O ATOM 163 CB LEU A 11 1.132 -2.232 6.940 1.00 0.00 C ATOM 164 CG LEU A 11 2.497 -1.823 7.495 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.522 -1.790 6.362 1.00 0.00 C ATOM 166 CD2 LEU A 11 2.393 -0.434 8.129 1.00 0.00 C ATOM 167 H LEU A 11 0.603 -3.058 4.668 1.00 0.00 H ATOM 168 HA LEU A 11 2.091 -4.156 6.905 1.00 0.00 H ATOM 169 HB2 LEU A 11 0.934 -1.687 6.028 1.00 0.00 H ATOM 170 HB3 LEU A 11 0.367 -2.006 7.669 1.00 0.00 H ATOM 171 HG LEU A 11 2.810 -2.539 8.241 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.123 -0.895 6.446 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.011 -1.789 5.411 1.00 0.00 H ATOM 174 HD13 LEU A 11 4.160 -2.659 6.427 1.00 0.00 H ATOM 175 HD21 LEU A 11 2.631 -0.500 9.180 1.00 0.00 H ATOM 176 HD22 LEU A 11 1.386 -0.059 8.011 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.087 0.236 7.644 1.00 0.00 H HETATM 178 N NH2 A 12 -0.150 -5.718 7.298 1.00 0.00 N HETATM 179 HN1 NH2 A 12 0.440 -6.230 6.705 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.859 -6.175 7.796 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 39 HETATM 1 C ACE A 1 -0.651 5.745 -4.014 1.00 0.00 C HETATM 2 O ACE A 1 -1.068 5.170 -3.026 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.228 7.215 -3.960 1.00 0.00 C HETATM 4 H1 ACE A 1 0.827 7.293 -4.178 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.420 7.609 -2.974 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.789 7.779 -4.690 1.00 0.00 H ATOM 7 N LEU A 2 -0.543 5.130 -5.159 1.00 0.00 N ATOM 8 CA LEU A 2 -0.935 3.697 -5.268 1.00 0.00 C ATOM 9 C LEU A 2 0.100 2.826 -4.557 1.00 0.00 C ATOM 10 O LEU A 2 -0.226 1.825 -3.950 1.00 0.00 O ATOM 11 CB LEU A 2 -0.959 3.399 -6.768 1.00 0.00 C ATOM 12 CG LEU A 2 -2.069 2.390 -7.068 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.935 2.905 -8.220 1.00 0.00 C ATOM 14 CD2 LEU A 2 -1.447 1.047 -7.460 1.00 0.00 C ATOM 15 H LEU A 2 -0.199 5.606 -5.943 1.00 0.00 H ATOM 16 HA LEU A 2 -1.913 3.542 -4.844 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.145 4.314 -7.314 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.008 2.986 -7.068 1.00 0.00 H ATOM 19 HG LEU A 2 -2.684 2.260 -6.189 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.299 3.265 -9.015 1.00 0.00 H ATOM 21 HD12 LEU A 2 -3.563 3.710 -7.867 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.554 2.101 -8.592 1.00 0.00 H ATOM 23 HD21 LEU A 2 -1.578 0.885 -8.519 1.00 0.00 H ATOM 24 HD22 LEU A 2 -1.929 0.253 -6.911 1.00 0.00 H ATOM 25 HD23 LEU A 2 -0.392 1.058 -7.225 1.00 0.00 H ATOM 26 N VAL A 3 1.346 3.208 -4.614 1.00 0.00 N ATOM 27 CA VAL A 3 2.399 2.411 -3.926 1.00 0.00 C ATOM 28 C VAL A 3 2.182 2.496 -2.416 1.00 0.00 C ATOM 29 O VAL A 3 2.512 1.592 -1.668 1.00 0.00 O ATOM 30 CB VAL A 3 3.717 3.078 -4.318 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.755 3.275 -5.833 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.824 4.439 -3.627 1.00 0.00 C ATOM 33 H VAL A 3 1.586 4.027 -5.098 1.00 0.00 H ATOM 34 HA VAL A 3 2.384 1.386 -4.259 1.00 0.00 H ATOM 35 HB VAL A 3 4.543 2.451 -4.015 1.00 0.00 H ATOM 36 HG11 VAL A 3 3.351 4.247 -6.079 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.162 2.508 -6.310 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.775 3.211 -6.180 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.942 4.296 -2.563 1.00 0.00 H ATOM 40 HG22 VAL A 3 2.928 5.010 -3.816 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.680 4.974 -4.014 1.00 0.00 H ATOM 42 N GLY A 4 1.607 3.578 -1.970 1.00 0.00 N ATOM 43 CA GLY A 4 1.340 3.742 -0.517 1.00 0.00 C ATOM 44 C GLY A 4 0.112 2.918 -0.160 1.00 0.00 C ATOM 45 O GLY A 4 0.100 2.185 0.804 1.00 0.00 O ATOM 46 H GLY A 4 1.334 4.277 -2.599 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.192 3.395 0.051 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.153 4.782 -0.294 1.00 0.00 H ATOM 49 N ARG A 5 -0.922 3.020 -0.946 1.00 0.00 N ATOM 50 CA ARG A 5 -2.144 2.223 -0.664 1.00 0.00 C ATOM 51 C ARG A 5 -1.766 0.748 -0.526 1.00 0.00 C ATOM 52 O ARG A 5 -2.123 0.085 0.429 1.00 0.00 O ATOM 53 CB ARG A 5 -3.031 2.428 -1.892 1.00 0.00 C ATOM 54 CG ARG A 5 -4.313 3.153 -1.488 1.00 0.00 C ATOM 55 CD ARG A 5 -5.370 2.962 -2.579 1.00 0.00 C ATOM 56 NE ARG A 5 -6.444 3.937 -2.244 1.00 0.00 N ATOM 57 CZ ARG A 5 -7.255 4.357 -3.174 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.794 4.662 -4.357 1.00 0.00 N ATOM 59 NH2 ARG A 5 -8.531 4.470 -2.922 1.00 0.00 N ATOM 60 H ARG A 5 -0.888 3.611 -1.729 1.00 0.00 H ATOM 61 HA ARG A 5 -2.642 2.581 0.224 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.498 3.019 -2.623 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.281 1.468 -2.319 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.677 2.749 -0.555 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.110 4.206 -1.369 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.950 3.179 -3.551 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.762 1.956 -2.551 1.00 0.00 H ATOM 68 HE ARG A 5 -6.540 4.263 -1.325 1.00 0.00 H ATOM 69 HH11 ARG A 5 -5.817 4.574 -4.549 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.418 4.984 -5.069 1.00 0.00 H ATOM 71 HH21 ARG A 5 -8.884 4.234 -2.017 1.00 0.00 H ATOM 72 HH22 ARG A 5 -9.154 4.793 -3.634 1.00 0.00 H ATOM 73 N GLN A 6 -1.038 0.235 -1.479 1.00 0.00 N ATOM 74 CA GLN A 6 -0.633 -1.199 -1.421 1.00 0.00 C ATOM 75 C GLN A 6 0.279 -1.458 -0.218 1.00 0.00 C ATOM 76 O GLN A 6 0.056 -2.373 0.550 1.00 0.00 O ATOM 77 CB GLN A 6 0.115 -1.452 -2.731 1.00 0.00 C ATOM 78 CG GLN A 6 -0.720 -2.371 -3.625 1.00 0.00 C ATOM 79 CD GLN A 6 -0.989 -1.680 -4.963 1.00 0.00 C ATOM 80 OE1 GLN A 6 -0.980 -0.468 -5.049 1.00 0.00 O ATOM 81 NE2 GLN A 6 -1.229 -2.407 -6.021 1.00 0.00 N ATOM 82 H GLN A 6 -0.760 0.794 -2.236 1.00 0.00 H ATOM 83 HA GLN A 6 -1.506 -1.830 -1.372 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.285 -0.512 -3.236 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.063 -1.924 -2.519 1.00 0.00 H ATOM 86 HG2 GLN A 6 -0.183 -3.292 -3.796 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.661 -2.587 -3.140 1.00 0.00 H ATOM 88 HE21 GLN A 6 -1.238 -3.384 -5.952 1.00 0.00 H ATOM 89 HE22 GLN A 6 -1.403 -1.974 -6.883 1.00 0.00 H ATOM 90 N LEU A 7 1.308 -0.671 -0.048 1.00 0.00 N ATOM 91 CA LEU A 7 2.228 -0.896 1.108 1.00 0.00 C ATOM 92 C LEU A 7 1.458 -0.846 2.431 1.00 0.00 C ATOM 93 O LEU A 7 1.545 -1.745 3.248 1.00 0.00 O ATOM 94 CB LEU A 7 3.241 0.249 1.033 1.00 0.00 C ATOM 95 CG LEU A 7 4.445 -0.066 1.926 1.00 0.00 C ATOM 96 CD1 LEU A 7 3.999 -0.129 3.389 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.045 -1.414 1.520 1.00 0.00 C ATOM 98 H LEU A 7 1.480 0.062 -0.681 1.00 0.00 H ATOM 99 HA LEU A 7 2.732 -1.840 1.004 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.572 0.368 0.012 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.776 1.163 1.370 1.00 0.00 H ATOM 102 HG LEU A 7 5.188 0.709 1.812 1.00 0.00 H ATOM 103 HD11 LEU A 7 3.807 -1.155 3.663 1.00 0.00 H ATOM 104 HD12 LEU A 7 3.098 0.453 3.517 1.00 0.00 H ATOM 105 HD13 LEU A 7 4.778 0.273 4.020 1.00 0.00 H ATOM 106 HD21 LEU A 7 6.019 -1.526 1.975 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.144 -1.454 0.445 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.400 -2.212 1.853 1.00 0.00 H ATOM 109 N GLU A 8 0.707 0.193 2.648 1.00 0.00 N ATOM 110 CA GLU A 8 -0.066 0.303 3.913 1.00 0.00 C ATOM 111 C GLU A 8 -1.077 -0.835 3.994 1.00 0.00 C ATOM 112 O GLU A 8 -1.490 -1.241 5.062 1.00 0.00 O ATOM 113 CB GLU A 8 -0.773 1.656 3.829 1.00 0.00 C ATOM 114 CG GLU A 8 0.106 2.727 4.475 1.00 0.00 C ATOM 115 CD GLU A 8 0.406 2.332 5.922 1.00 0.00 C ATOM 116 OE1 GLU A 8 -0.456 2.533 6.760 1.00 0.00 O ATOM 117 OE2 GLU A 8 1.492 1.832 6.165 1.00 0.00 O ATOM 118 H GLU A 8 0.645 0.897 1.979 1.00 0.00 H ATOM 119 HA GLU A 8 0.596 0.282 4.765 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.945 1.907 2.791 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.717 1.604 4.349 1.00 0.00 H ATOM 122 HG2 GLU A 8 1.032 2.811 3.924 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.410 3.675 4.461 1.00 0.00 H ATOM 124 N GLU A 9 -1.473 -1.361 2.870 1.00 0.00 N ATOM 125 CA GLU A 9 -2.456 -2.483 2.891 1.00 0.00 C ATOM 126 C GLU A 9 -1.728 -3.814 3.075 1.00 0.00 C ATOM 127 O GLU A 9 -2.321 -4.812 3.438 1.00 0.00 O ATOM 128 CB GLU A 9 -3.163 -2.438 1.537 1.00 0.00 C ATOM 129 CG GLU A 9 -4.513 -3.150 1.647 1.00 0.00 C ATOM 130 CD GLU A 9 -4.446 -4.495 0.920 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.012 -4.510 -0.220 1.00 0.00 O ATOM 132 OE2 GLU A 9 -4.830 -5.487 1.517 1.00 0.00 O ATOM 133 H GLU A 9 -1.120 -1.021 2.013 1.00 0.00 H ATOM 134 HA GLU A 9 -3.171 -2.336 3.685 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.321 -1.410 1.248 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.555 -2.933 0.795 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.747 -3.315 2.689 1.00 0.00 H ATOM 138 HG3 GLU A 9 -5.281 -2.537 1.198 1.00 0.00 H ATOM 139 N PHE A 10 -0.448 -3.836 2.834 1.00 0.00 N ATOM 140 CA PHE A 10 0.318 -5.102 3.003 1.00 0.00 C ATOM 141 C PHE A 10 1.047 -5.093 4.348 1.00 0.00 C ATOM 142 O PHE A 10 1.555 -6.101 4.796 1.00 0.00 O ATOM 143 CB PHE A 10 1.314 -5.128 1.843 1.00 0.00 C ATOM 144 CG PHE A 10 0.837 -6.104 0.792 1.00 0.00 C ATOM 145 CD1 PHE A 10 -0.531 -6.359 0.642 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.763 -6.753 -0.032 1.00 0.00 C ATOM 147 CE1 PHE A 10 -0.973 -7.263 -0.331 1.00 0.00 C ATOM 148 CE2 PHE A 10 1.322 -7.657 -1.006 1.00 0.00 C ATOM 149 CZ PHE A 10 -0.047 -7.912 -1.154 1.00 0.00 C ATOM 150 H PHE A 10 0.011 -3.018 2.549 1.00 0.00 H ATOM 151 HA PHE A 10 -0.344 -5.953 2.940 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.390 -4.140 1.411 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.282 -5.438 2.207 1.00 0.00 H ATOM 154 HD1 PHE A 10 -1.248 -5.857 1.279 1.00 0.00 H ATOM 155 HD2 PHE A 10 2.820 -6.555 0.083 1.00 0.00 H ATOM 156 HE1 PHE A 10 -2.029 -7.459 -0.446 1.00 0.00 H ATOM 157 HE2 PHE A 10 2.037 -8.159 -1.640 1.00 0.00 H ATOM 158 HZ PHE A 10 -0.387 -8.609 -1.905 1.00 0.00 H ATOM 159 N LEU A 11 1.097 -3.961 4.995 1.00 0.00 N ATOM 160 CA LEU A 11 1.790 -3.890 6.315 1.00 0.00 C ATOM 161 C LEU A 11 1.230 -4.955 7.263 1.00 0.00 C ATOM 162 O LEU A 11 0.238 -4.737 7.930 1.00 0.00 O ATOM 163 CB LEU A 11 1.488 -2.490 6.850 1.00 0.00 C ATOM 164 CG LEU A 11 2.313 -2.239 8.112 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.614 -1.529 7.737 1.00 0.00 C ATOM 166 CD2 LEU A 11 1.516 -1.361 9.081 1.00 0.00 C ATOM 167 H LEU A 11 0.677 -3.157 4.615 1.00 0.00 H ATOM 168 HA LEU A 11 2.853 -4.015 6.191 1.00 0.00 H ATOM 169 HB2 LEU A 11 1.740 -1.755 6.099 1.00 0.00 H ATOM 170 HB3 LEU A 11 0.437 -2.415 7.089 1.00 0.00 H ATOM 171 HG LEU A 11 2.542 -3.184 8.585 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.389 -0.656 7.142 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.241 -2.200 7.168 1.00 0.00 H ATOM 174 HD13 LEU A 11 4.132 -1.228 8.636 1.00 0.00 H ATOM 175 HD21 LEU A 11 2.043 -0.432 9.241 1.00 0.00 H ATOM 176 HD22 LEU A 11 1.402 -1.876 10.024 1.00 0.00 H ATOM 177 HD23 LEU A 11 0.542 -1.156 8.663 1.00 0.00 H HETATM 178 N NH2 A 12 1.832 -6.109 7.352 1.00 0.00 N HETATM 179 HN1 NH2 A 12 2.632 -6.287 6.815 1.00 0.00 H HETATM 180 HN2 NH2 A 12 1.484 -6.798 7.955 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 40 HETATM 1 C ACE A 1 -0.600 5.441 -4.271 1.00 0.00 C HETATM 2 O ACE A 1 -1.100 5.012 -3.248 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.171 6.905 -4.393 1.00 0.00 C HETATM 4 H1 ACE A 1 0.826 6.955 -4.805 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.182 7.365 -3.416 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.857 7.427 -5.044 1.00 0.00 H ATOM 7 N LEU A 2 -0.406 4.669 -5.305 1.00 0.00 N ATOM 8 CA LEU A 2 -0.804 3.235 -5.247 1.00 0.00 C ATOM 9 C LEU A 2 0.188 2.451 -4.390 1.00 0.00 C ATOM 10 O LEU A 2 -0.181 1.555 -3.656 1.00 0.00 O ATOM 11 CB LEU A 2 -0.766 2.747 -6.695 1.00 0.00 C ATOM 12 CG LEU A 2 -2.001 1.889 -6.976 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.190 0.876 -5.845 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.234 2.791 -7.061 1.00 0.00 C ATOM 15 H LEU A 2 0.001 5.032 -6.119 1.00 0.00 H ATOM 16 HA LEU A 2 -1.798 3.137 -4.849 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.758 3.597 -7.362 1.00 0.00 H ATOM 18 HB3 LEU A 2 0.124 2.155 -6.854 1.00 0.00 H ATOM 19 HG LEU A 2 -1.871 1.364 -7.912 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.945 0.158 -6.126 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.501 1.392 -4.948 1.00 0.00 H ATOM 22 HD13 LEU A 2 -1.258 0.364 -5.661 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.243 3.469 -6.221 1.00 0.00 H ATOM 24 HD22 LEU A 2 -4.127 2.184 -7.044 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.202 3.358 -7.981 1.00 0.00 H ATOM 26 N VAL A 3 1.444 2.788 -4.465 1.00 0.00 N ATOM 27 CA VAL A 3 2.448 2.067 -3.639 1.00 0.00 C ATOM 28 C VAL A 3 2.240 2.428 -2.168 1.00 0.00 C ATOM 29 O VAL A 3 2.535 1.655 -1.276 1.00 0.00 O ATOM 30 CB VAL A 3 3.807 2.561 -4.137 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.988 2.156 -5.601 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.873 4.086 -4.020 1.00 0.00 C ATOM 33 H VAL A 3 1.721 3.520 -5.054 1.00 0.00 H ATOM 34 HA VAL A 3 2.365 1.003 -3.784 1.00 0.00 H ATOM 35 HB VAL A 3 4.592 2.116 -3.541 1.00 0.00 H ATOM 36 HG11 VAL A 3 3.613 1.154 -5.747 1.00 0.00 H ATOM 37 HG12 VAL A 3 5.037 2.189 -5.857 1.00 0.00 H ATOM 38 HG13 VAL A 3 3.442 2.841 -6.233 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.447 4.532 -4.907 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.904 4.396 -3.921 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.316 4.406 -3.153 1.00 0.00 H ATOM 42 N GLY A 4 1.713 3.594 -1.914 1.00 0.00 N ATOM 43 CA GLY A 4 1.471 4.013 -0.506 1.00 0.00 C ATOM 44 C GLY A 4 0.224 3.305 0.009 1.00 0.00 C ATOM 45 O GLY A 4 0.233 2.687 1.055 1.00 0.00 O ATOM 46 H GLY A 4 1.463 4.191 -2.652 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.322 3.741 0.103 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.318 5.080 -0.465 1.00 0.00 H ATOM 49 N ARG A 5 -0.849 3.379 -0.725 1.00 0.00 N ATOM 50 CA ARG A 5 -2.091 2.694 -0.281 1.00 0.00 C ATOM 51 C ARG A 5 -1.834 1.189 -0.181 1.00 0.00 C ATOM 52 O ARG A 5 -2.140 0.555 0.813 1.00 0.00 O ATOM 53 CB ARG A 5 -3.122 3.000 -1.369 1.00 0.00 C ATOM 54 CG ARG A 5 -4.075 4.092 -0.877 1.00 0.00 C ATOM 55 CD ARG A 5 -5.125 3.478 0.050 1.00 0.00 C ATOM 56 NE ARG A 5 -5.333 4.495 1.118 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.269 4.323 2.010 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.455 3.921 1.644 1.00 0.00 N ATOM 59 NH2 ARG A 5 -6.018 4.554 3.268 1.00 0.00 N ATOM 60 H ARG A 5 -0.831 3.875 -1.574 1.00 0.00 H ATOM 61 HA ARG A 5 -2.423 3.086 0.667 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.614 3.340 -2.260 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.687 2.108 -1.593 1.00 0.00 H ATOM 64 HG2 ARG A 5 -3.513 4.842 -0.339 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.566 4.550 -1.722 1.00 0.00 H ATOM 66 HD2 ARG A 5 -6.045 3.302 -0.490 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.757 2.560 0.481 1.00 0.00 H ATOM 68 HE ARG A 5 -4.765 5.293 1.152 1.00 0.00 H ATOM 69 HH11 ARG A 5 -7.646 3.743 0.679 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.172 3.791 2.328 1.00 0.00 H ATOM 71 HH21 ARG A 5 -5.109 4.861 3.547 1.00 0.00 H ATOM 72 HH22 ARG A 5 -6.734 4.423 3.953 1.00 0.00 H ATOM 73 N GLN A 6 -1.260 0.612 -1.203 1.00 0.00 N ATOM 74 CA GLN A 6 -0.977 -0.849 -1.159 1.00 0.00 C ATOM 75 C GLN A 6 0.080 -1.146 -0.090 1.00 0.00 C ATOM 76 O GLN A 6 0.077 -2.204 0.507 1.00 0.00 O ATOM 77 CB GLN A 6 -0.486 -1.219 -2.562 1.00 0.00 C ATOM 78 CG GLN A 6 0.940 -0.712 -2.776 1.00 0.00 C ATOM 79 CD GLN A 6 1.910 -1.894 -2.762 1.00 0.00 C ATOM 80 OE1 GLN A 6 2.521 -2.185 -1.753 1.00 0.00 O ATOM 81 NE2 GLN A 6 2.077 -2.594 -3.851 1.00 0.00 N ATOM 82 H GLN A 6 -1.012 1.139 -1.992 1.00 0.00 H ATOM 83 HA GLN A 6 -1.884 -1.389 -0.938 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.504 -2.293 -2.674 1.00 0.00 H ATOM 85 HB3 GLN A 6 -1.138 -0.772 -3.297 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.998 -0.210 -3.730 1.00 0.00 H ATOM 87 HG3 GLN A 6 1.202 -0.023 -1.990 1.00 0.00 H ATOM 88 HE21 GLN A 6 1.583 -2.360 -4.665 1.00 0.00 H ATOM 89 HE22 GLN A 6 2.696 -3.353 -3.855 1.00 0.00 H ATOM 90 N LEU A 7 0.971 -0.223 0.180 1.00 0.00 N ATOM 91 CA LEU A 7 1.989 -0.487 1.238 1.00 0.00 C ATOM 92 C LEU A 7 1.280 -0.649 2.582 1.00 0.00 C ATOM 93 O LEU A 7 1.482 -1.613 3.292 1.00 0.00 O ATOM 94 CB LEU A 7 2.904 0.739 1.256 1.00 0.00 C ATOM 95 CG LEU A 7 4.187 0.427 0.484 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.799 1.726 -0.040 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.184 -0.266 1.415 1.00 0.00 C ATOM 98 H LEU A 7 0.962 0.638 -0.294 1.00 0.00 H ATOM 99 HA LEU A 7 2.554 -1.373 1.003 1.00 0.00 H ATOM 100 HB2 LEU A 7 2.397 1.575 0.798 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.154 0.986 2.278 1.00 0.00 H ATOM 102 HG LEU A 7 3.956 -0.223 -0.348 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.088 2.531 0.078 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.046 1.613 -1.085 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.695 1.952 0.520 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.655 -0.938 2.074 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.704 0.478 2.001 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.898 -0.824 0.828 1.00 0.00 H ATOM 109 N GLU A 8 0.427 0.279 2.924 1.00 0.00 N ATOM 110 CA GLU A 8 -0.316 0.161 4.208 1.00 0.00 C ATOM 111 C GLU A 8 -1.202 -1.078 4.143 1.00 0.00 C ATOM 112 O GLU A 8 -1.523 -1.687 5.146 1.00 0.00 O ATOM 113 CB GLU A 8 -1.165 1.429 4.301 1.00 0.00 C ATOM 114 CG GLU A 8 -0.915 2.115 5.644 1.00 0.00 C ATOM 115 CD GLU A 8 -1.661 3.449 5.680 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.180 4.391 5.072 1.00 0.00 O ATOM 117 OE2 GLU A 8 -2.702 3.506 6.314 1.00 0.00 O ATOM 118 H GLU A 8 0.260 1.039 2.329 1.00 0.00 H ATOM 119 HA GLU A 8 0.367 0.102 5.040 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.901 2.100 3.497 1.00 0.00 H ATOM 121 HB3 GLU A 8 -2.211 1.168 4.223 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.269 1.481 6.444 1.00 0.00 H ATOM 123 HG3 GLU A 8 0.143 2.293 5.767 1.00 0.00 H ATOM 124 N GLU A 9 -1.588 -1.459 2.956 1.00 0.00 N ATOM 125 CA GLU A 9 -2.444 -2.667 2.800 1.00 0.00 C ATOM 126 C GLU A 9 -1.562 -3.916 2.760 1.00 0.00 C ATOM 127 O GLU A 9 -2.019 -5.022 2.968 1.00 0.00 O ATOM 128 CB GLU A 9 -3.165 -2.469 1.468 1.00 0.00 C ATOM 129 CG GLU A 9 -4.290 -1.450 1.649 1.00 0.00 C ATOM 130 CD GLU A 9 -5.473 -1.829 0.757 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.369 -2.825 0.061 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.462 -1.116 0.785 1.00 0.00 O ATOM 133 H GLU A 9 -1.305 -0.948 2.162 1.00 0.00 H ATOM 134 HA GLU A 9 -3.159 -2.732 3.604 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.464 -2.106 0.731 1.00 0.00 H ATOM 136 HB3 GLU A 9 -3.582 -3.409 1.138 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.604 -1.443 2.683 1.00 0.00 H ATOM 138 HG3 GLU A 9 -3.934 -0.469 1.374 1.00 0.00 H ATOM 139 N PHE A 10 -0.295 -3.738 2.503 1.00 0.00 N ATOM 140 CA PHE A 10 0.635 -4.902 2.457 1.00 0.00 C ATOM 141 C PHE A 10 1.320 -5.064 3.816 1.00 0.00 C ATOM 142 O PHE A 10 1.924 -6.079 4.105 1.00 0.00 O ATOM 143 CB PHE A 10 1.662 -4.542 1.382 1.00 0.00 C ATOM 144 CG PHE A 10 1.293 -5.210 0.079 1.00 0.00 C ATOM 145 CD1 PHE A 10 0.002 -5.069 -0.440 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.248 -5.967 -0.613 1.00 0.00 C ATOM 147 CE1 PHE A 10 -0.337 -5.686 -1.651 1.00 0.00 C ATOM 148 CE2 PHE A 10 1.909 -6.583 -1.822 1.00 0.00 C ATOM 149 CZ PHE A 10 0.616 -6.443 -2.342 1.00 0.00 C ATOM 150 H PHE A 10 0.048 -2.833 2.346 1.00 0.00 H ATOM 151 HA PHE A 10 0.108 -5.801 2.183 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.678 -3.471 1.245 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.639 -4.879 1.694 1.00 0.00 H ATOM 154 HD1 PHE A 10 -0.735 -4.486 0.093 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.245 -6.075 -0.211 1.00 0.00 H ATOM 156 HE1 PHE A 10 -1.334 -5.578 -2.051 1.00 0.00 H ATOM 157 HE2 PHE A 10 2.645 -7.167 -2.356 1.00 0.00 H ATOM 158 HZ PHE A 10 0.356 -6.918 -3.276 1.00 0.00 H ATOM 159 N LEU A 11 1.229 -4.064 4.651 1.00 0.00 N ATOM 160 CA LEU A 11 1.873 -4.148 5.994 1.00 0.00 C ATOM 161 C LEU A 11 0.920 -4.802 6.996 1.00 0.00 C ATOM 162 O LEU A 11 -0.092 -4.235 7.358 1.00 0.00 O ATOM 163 CB LEU A 11 2.150 -2.695 6.389 1.00 0.00 C ATOM 164 CG LEU A 11 3.365 -2.641 7.316 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.216 -1.416 6.975 1.00 0.00 C ATOM 166 CD2 LEU A 11 2.891 -2.543 8.768 1.00 0.00 C ATOM 167 H LEU A 11 0.738 -3.256 4.394 1.00 0.00 H ATOM 168 HA LEU A 11 2.797 -4.697 5.937 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.347 -2.113 5.501 1.00 0.00 H ATOM 170 HB3 LEU A 11 1.290 -2.291 6.901 1.00 0.00 H ATOM 171 HG LEU A 11 3.956 -3.537 7.188 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.943 -1.049 5.996 1.00 0.00 H ATOM 173 HD12 LEU A 11 5.260 -1.690 6.980 1.00 0.00 H ATOM 174 HD13 LEU A 11 4.043 -0.642 7.709 1.00 0.00 H ATOM 175 HD21 LEU A 11 1.836 -2.768 8.819 1.00 0.00 H ATOM 176 HD22 LEU A 11 3.064 -1.543 9.137 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.441 -3.250 9.374 1.00 0.00 H HETATM 178 N NH2 A 12 1.206 -5.985 7.467 1.00 0.00 N HETATM 179 HN1 NH2 A 12 2.022 -6.443 7.175 1.00 0.00 H HETATM 180 HN2 NH2 A 12 0.607 -6.413 8.112 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 41 HETATM 1 C ACE A 1 -0.747 5.617 -3.947 1.00 0.00 C HETATM 2 O ACE A 1 -1.268 5.002 -3.036 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.306 7.070 -3.772 1.00 0.00 C HETATM 4 H1 ACE A 1 -1.151 7.724 -3.934 1.00 0.00 H HETATM 5 H2 ACE A 1 0.469 7.300 -4.488 1.00 0.00 H HETATM 6 H3 ACE A 1 0.074 7.215 -2.772 1.00 0.00 H ATOM 7 N LEU A 2 -0.536 5.058 -5.107 1.00 0.00 N ATOM 8 CA LEU A 2 -0.938 3.642 -5.331 1.00 0.00 C ATOM 9 C LEU A 2 0.014 2.727 -4.571 1.00 0.00 C ATOM 10 O LEU A 2 -0.396 1.811 -3.887 1.00 0.00 O ATOM 11 CB LEU A 2 -0.817 3.427 -6.840 1.00 0.00 C ATOM 12 CG LEU A 2 -1.497 4.582 -7.577 1.00 0.00 C ATOM 13 CD1 LEU A 2 -0.435 5.459 -8.239 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.437 4.026 -8.650 1.00 0.00 C ATOM 15 H LEU A 2 -0.105 5.565 -5.826 1.00 0.00 H ATOM 16 HA LEU A 2 -1.955 3.482 -5.010 1.00 0.00 H ATOM 17 HB2 LEU A 2 0.227 3.388 -7.116 1.00 0.00 H ATOM 18 HB3 LEU A 2 -1.296 2.498 -7.112 1.00 0.00 H ATOM 19 HG LEU A 2 -2.064 5.175 -6.872 1.00 0.00 H ATOM 20 HD11 LEU A 2 -0.621 5.511 -9.301 1.00 0.00 H ATOM 21 HD12 LEU A 2 0.543 5.032 -8.065 1.00 0.00 H ATOM 22 HD13 LEU A 2 -0.473 6.453 -7.818 1.00 0.00 H ATOM 23 HD21 LEU A 2 -2.898 3.117 -8.290 1.00 0.00 H ATOM 24 HD22 LEU A 2 -1.874 3.813 -9.546 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.202 4.755 -8.871 1.00 0.00 H ATOM 26 N VAL A 3 1.287 2.985 -4.667 1.00 0.00 N ATOM 27 CA VAL A 3 2.268 2.147 -3.928 1.00 0.00 C ATOM 28 C VAL A 3 2.149 2.453 -2.436 1.00 0.00 C ATOM 29 O VAL A 3 2.503 1.652 -1.590 1.00 0.00 O ATOM 30 CB VAL A 3 3.638 2.565 -4.459 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.706 1.609 -3.923 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.632 2.513 -5.989 1.00 0.00 C ATOM 33 H VAL A 3 1.593 3.744 -5.210 1.00 0.00 H ATOM 34 HA VAL A 3 2.093 1.099 -4.118 1.00 0.00 H ATOM 35 HB VAL A 3 3.860 3.570 -4.132 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.662 2.110 -3.911 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.762 0.739 -4.560 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.445 1.305 -2.920 1.00 0.00 H ATOM 39 HG21 VAL A 3 2.644 2.248 -6.336 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.343 1.772 -6.327 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.905 3.479 -6.383 1.00 0.00 H ATOM 42 N GLY A 4 1.634 3.610 -2.112 1.00 0.00 N ATOM 43 CA GLY A 4 1.468 3.982 -0.683 1.00 0.00 C ATOM 44 C GLY A 4 0.308 3.181 -0.105 1.00 0.00 C ATOM 45 O GLY A 4 0.394 2.628 0.974 1.00 0.00 O ATOM 46 H GLY A 4 1.343 4.228 -2.815 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.377 3.754 -0.141 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.252 5.036 -0.603 1.00 0.00 H ATOM 49 N ARG A 5 -0.777 3.099 -0.825 1.00 0.00 N ATOM 50 CA ARG A 5 -1.939 2.315 -0.324 1.00 0.00 C ATOM 51 C ARG A 5 -1.565 0.834 -0.281 1.00 0.00 C ATOM 52 O ARG A 5 -1.800 0.151 0.694 1.00 0.00 O ATOM 53 CB ARG A 5 -3.058 2.565 -1.334 1.00 0.00 C ATOM 54 CG ARG A 5 -3.656 3.951 -1.094 1.00 0.00 C ATOM 55 CD ARG A 5 -5.148 3.932 -1.430 1.00 0.00 C ATOM 56 NE ARG A 5 -5.488 5.348 -1.740 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.528 5.622 -2.478 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.463 5.482 -3.773 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.633 6.035 -1.920 1.00 0.00 N ATOM 60 H ARG A 5 -0.821 3.542 -1.700 1.00 0.00 H ATOM 61 HA ARG A 5 -2.235 2.659 0.654 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.657 2.511 -2.337 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.826 1.817 -1.213 1.00 0.00 H ATOM 64 HG2 ARG A 5 -3.523 4.226 -0.058 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.157 4.672 -1.725 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.332 3.301 -2.289 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.721 3.591 -0.581 1.00 0.00 H ATOM 68 HE ARG A 5 -4.929 6.074 -1.391 1.00 0.00 H ATOM 69 HH11 ARG A 5 -5.617 5.165 -4.200 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.260 5.694 -4.338 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.681 6.142 -0.927 1.00 0.00 H ATOM 72 HH22 ARG A 5 -8.430 6.244 -2.485 1.00 0.00 H ATOM 73 N GLN A 6 -0.967 0.338 -1.331 1.00 0.00 N ATOM 74 CA GLN A 6 -0.560 -1.093 -1.346 1.00 0.00 C ATOM 75 C GLN A 6 0.336 -1.377 -0.140 1.00 0.00 C ATOM 76 O GLN A 6 0.065 -2.256 0.654 1.00 0.00 O ATOM 77 CB GLN A 6 0.219 -1.269 -2.650 1.00 0.00 C ATOM 78 CG GLN A 6 0.467 -2.756 -2.902 1.00 0.00 C ATOM 79 CD GLN A 6 1.572 -2.917 -3.948 1.00 0.00 C ATOM 80 OE1 GLN A 6 1.307 -3.267 -5.080 1.00 0.00 O ATOM 81 NE2 GLN A 6 2.810 -2.672 -3.615 1.00 0.00 N ATOM 82 H GLN A 6 -0.775 0.911 -2.103 1.00 0.00 H ATOM 83 HA GLN A 6 -1.426 -1.736 -1.338 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.352 -0.854 -3.468 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.166 -0.756 -2.575 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.770 -3.233 -1.981 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.439 -3.217 -3.265 1.00 0.00 H ATOM 88 HE21 GLN A 6 3.025 -2.388 -2.702 1.00 0.00 H ATOM 89 HE22 GLN A 6 3.524 -2.773 -4.277 1.00 0.00 H ATOM 90 N LEU A 7 1.396 -0.630 0.011 1.00 0.00 N ATOM 91 CA LEU A 7 2.299 -0.851 1.176 1.00 0.00 C ATOM 92 C LEU A 7 1.487 -0.807 2.471 1.00 0.00 C ATOM 93 O LEU A 7 1.647 -1.635 3.349 1.00 0.00 O ATOM 94 CB LEU A 7 3.300 0.305 1.123 1.00 0.00 C ATOM 95 CG LEU A 7 4.340 0.138 2.233 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.745 0.203 1.632 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.176 1.262 3.259 1.00 0.00 C ATOM 98 H LEU A 7 1.594 0.083 -0.636 1.00 0.00 H ATOM 99 HA LEU A 7 2.811 -1.793 1.082 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.796 0.308 0.163 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.779 1.241 1.261 1.00 0.00 H ATOM 102 HG LEU A 7 4.199 -0.817 2.717 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.970 -0.732 1.139 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.464 0.378 2.418 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.791 1.009 0.914 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.142 1.698 3.470 1.00 0.00 H ATOM 107 HD22 LEU A 7 3.756 0.861 4.169 1.00 0.00 H ATOM 108 HD23 LEU A 7 3.518 2.020 2.861 1.00 0.00 H ATOM 109 N GLU A 8 0.608 0.148 2.591 1.00 0.00 N ATOM 110 CA GLU A 8 -0.223 0.245 3.821 1.00 0.00 C ATOM 111 C GLU A 8 -1.233 -0.900 3.855 1.00 0.00 C ATOM 112 O GLU A 8 -1.733 -1.271 4.898 1.00 0.00 O ATOM 113 CB GLU A 8 -0.937 1.592 3.715 1.00 0.00 C ATOM 114 CG GLU A 8 -1.386 2.046 5.104 1.00 0.00 C ATOM 115 CD GLU A 8 -2.522 3.062 4.966 1.00 0.00 C ATOM 116 OE1 GLU A 8 -2.837 3.418 3.842 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.056 3.467 5.985 1.00 0.00 O ATOM 118 H GLU A 8 0.490 0.797 1.866 1.00 0.00 H ATOM 119 HA GLU A 8 0.400 0.222 4.699 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.262 2.325 3.296 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.801 1.491 3.075 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.733 1.192 5.667 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.556 2.505 5.620 1.00 0.00 H ATOM 124 N GLU A 9 -1.528 -1.469 2.719 1.00 0.00 N ATOM 125 CA GLU A 9 -2.497 -2.600 2.687 1.00 0.00 C ATOM 126 C GLU A 9 -1.754 -3.908 2.945 1.00 0.00 C ATOM 127 O GLU A 9 -2.331 -4.898 3.354 1.00 0.00 O ATOM 128 CB GLU A 9 -3.091 -2.584 1.279 1.00 0.00 C ATOM 129 CG GLU A 9 -4.189 -1.520 1.201 1.00 0.00 C ATOM 130 CD GLU A 9 -5.354 -2.048 0.362 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.189 -3.087 -0.258 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.391 -1.407 0.355 1.00 0.00 O ATOM 133 H GLU A 9 -1.104 -1.160 1.891 1.00 0.00 H ATOM 134 HA GLU A 9 -3.273 -2.455 3.422 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.314 -2.354 0.565 1.00 0.00 H ATOM 136 HB3 GLU A 9 -3.513 -3.551 1.055 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.539 -1.290 2.197 1.00 0.00 H ATOM 138 HG3 GLU A 9 -3.794 -0.626 0.742 1.00 0.00 H ATOM 139 N PHE A 10 -0.470 -3.914 2.720 1.00 0.00 N ATOM 140 CA PHE A 10 0.324 -5.148 2.962 1.00 0.00 C ATOM 141 C PHE A 10 1.049 -5.031 4.304 1.00 0.00 C ATOM 142 O PHE A 10 1.619 -5.984 4.798 1.00 0.00 O ATOM 143 CB PHE A 10 1.325 -5.214 1.804 1.00 0.00 C ATOM 144 CG PHE A 10 0.618 -5.595 0.516 1.00 0.00 C ATOM 145 CD1 PHE A 10 -0.757 -5.877 0.510 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.347 -5.662 -0.680 1.00 0.00 C ATOM 147 CE1 PHE A 10 -1.397 -6.226 -0.685 1.00 0.00 C ATOM 148 CE2 PHE A 10 0.705 -6.012 -1.874 1.00 0.00 C ATOM 149 CZ PHE A 10 -0.667 -6.293 -1.877 1.00 0.00 C ATOM 150 H PHE A 10 -0.027 -3.098 2.402 1.00 0.00 H ATOM 151 HA PHE A 10 -0.313 -6.017 2.953 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.794 -4.248 1.683 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.080 -5.953 2.028 1.00 0.00 H ATOM 154 HD1 PHE A 10 -1.323 -5.826 1.427 1.00 0.00 H ATOM 155 HD2 PHE A 10 2.405 -5.447 -0.680 1.00 0.00 H ATOM 156 HE1 PHE A 10 -2.455 -6.442 -0.687 1.00 0.00 H ATOM 157 HE2 PHE A 10 1.267 -6.063 -2.795 1.00 0.00 H ATOM 158 HZ PHE A 10 -1.162 -6.561 -2.800 1.00 0.00 H ATOM 159 N LEU A 11 1.030 -3.867 4.899 1.00 0.00 N ATOM 160 CA LEU A 11 1.716 -3.689 6.211 1.00 0.00 C ATOM 161 C LEU A 11 0.939 -2.705 7.092 1.00 0.00 C ATOM 162 O LEU A 11 1.523 -1.893 7.782 1.00 0.00 O ATOM 163 CB LEU A 11 3.094 -3.124 5.866 1.00 0.00 C ATOM 164 CG LEU A 11 4.182 -3.977 6.524 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.804 -4.260 7.981 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.320 -5.301 5.768 1.00 0.00 C ATOM 167 H LEU A 11 0.562 -3.109 4.482 1.00 0.00 H ATOM 168 HA LEU A 11 1.823 -4.638 6.710 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.228 -3.135 4.793 1.00 0.00 H ATOM 170 HB3 LEU A 11 3.169 -2.109 6.227 1.00 0.00 H ATOM 171 HG LEU A 11 5.121 -3.445 6.494 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.489 -5.289 8.078 1.00 0.00 H ATOM 173 HD12 LEU A 11 2.996 -3.607 8.278 1.00 0.00 H ATOM 174 HD13 LEU A 11 4.660 -4.085 8.616 1.00 0.00 H ATOM 175 HD21 LEU A 11 5.335 -5.659 5.851 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.077 -5.146 4.726 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.644 -6.030 6.189 1.00 0.00 H HETATM 178 N NH2 A 12 -0.365 -2.745 7.100 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.839 -3.399 6.545 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.872 -2.120 7.662 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 42 HETATM 1 C ACE A 1 -0.694 5.612 -4.075 1.00 0.00 C HETATM 2 O ACE A 1 -1.159 5.070 -3.091 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.276 7.083 -4.048 1.00 0.00 C HETATM 4 H1 ACE A 1 0.795 7.152 -3.932 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.760 7.581 -3.221 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.568 7.558 -4.974 1.00 0.00 H ATOM 7 N LEU A 2 -0.528 4.959 -5.193 1.00 0.00 N ATOM 8 CA LEU A 2 -0.913 3.523 -5.278 1.00 0.00 C ATOM 9 C LEU A 2 0.089 2.675 -4.499 1.00 0.00 C ATOM 10 O LEU A 2 -0.271 1.735 -3.818 1.00 0.00 O ATOM 11 CB LEU A 2 -0.865 3.184 -6.768 1.00 0.00 C ATOM 12 CG LEU A 2 -2.267 3.306 -7.365 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.353 4.575 -8.215 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.555 2.087 -8.244 1.00 0.00 C ATOM 15 H LEU A 2 -0.146 5.411 -5.974 1.00 0.00 H ATOM 16 HA LEU A 2 -1.909 3.376 -4.895 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.198 3.869 -7.272 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.508 2.173 -6.896 1.00 0.00 H ATOM 19 HG LEU A 2 -2.995 3.358 -6.568 1.00 0.00 H ATOM 20 HD11 LEU A 2 -1.421 4.722 -8.741 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.543 5.425 -7.575 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.156 4.477 -8.930 1.00 0.00 H ATOM 23 HD21 LEU A 2 -1.755 1.369 -8.137 1.00 0.00 H ATOM 24 HD22 LEU A 2 -2.625 2.396 -9.277 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.487 1.635 -7.940 1.00 0.00 H ATOM 26 N VAL A 3 1.345 3.009 -4.582 1.00 0.00 N ATOM 27 CA VAL A 3 2.369 2.231 -3.833 1.00 0.00 C ATOM 28 C VAL A 3 2.203 2.490 -2.336 1.00 0.00 C ATOM 29 O VAL A 3 2.557 1.673 -1.507 1.00 0.00 O ATOM 30 CB VAL A 3 3.714 2.763 -4.327 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.848 2.041 -3.598 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.837 2.517 -5.832 1.00 0.00 C ATOM 33 H VAL A 3 1.612 3.779 -5.129 1.00 0.00 H ATOM 34 HA VAL A 3 2.282 1.179 -4.051 1.00 0.00 H ATOM 35 HB VAL A 3 3.776 3.824 -4.127 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.664 1.866 -4.284 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.488 1.097 -3.219 1.00 0.00 H ATOM 38 HG13 VAL A 3 5.194 2.651 -2.776 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.025 3.009 -6.345 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.796 1.456 -6.027 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.779 2.912 -6.186 1.00 0.00 H ATOM 42 N GLY A 4 1.647 3.619 -1.988 1.00 0.00 N ATOM 43 CA GLY A 4 1.439 3.937 -0.548 1.00 0.00 C ATOM 44 C GLY A 4 0.235 3.152 -0.044 1.00 0.00 C ATOM 45 O GLY A 4 0.289 2.498 0.979 1.00 0.00 O ATOM 46 H GLY A 4 1.357 4.254 -2.677 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.320 3.659 0.014 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.253 4.993 -0.434 1.00 0.00 H ATOM 49 N ARG A 5 -0.852 3.200 -0.763 1.00 0.00 N ATOM 50 CA ARG A 5 -2.058 2.442 -0.332 1.00 0.00 C ATOM 51 C ARG A 5 -1.743 0.944 -0.329 1.00 0.00 C ATOM 52 O ARG A 5 -2.108 0.221 0.578 1.00 0.00 O ATOM 53 CB ARG A 5 -3.127 2.767 -1.376 1.00 0.00 C ATOM 54 CG ARG A 5 -4.072 3.834 -0.822 1.00 0.00 C ATOM 55 CD ARG A 5 -5.327 3.161 -0.260 1.00 0.00 C ATOM 56 NE ARG A 5 -6.301 3.169 -1.386 1.00 0.00 N ATOM 57 CZ ARG A 5 -7.322 3.980 -1.359 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.184 5.214 -1.763 1.00 0.00 N ATOM 59 NH2 ARG A 5 -8.479 3.561 -0.928 1.00 0.00 N ATOM 60 H ARG A 5 -0.869 3.726 -1.592 1.00 0.00 H ATOM 61 HA ARG A 5 -2.381 2.764 0.645 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.651 3.137 -2.273 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.689 1.875 -1.607 1.00 0.00 H ATOM 64 HG2 ARG A 5 -3.575 4.383 -0.036 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.353 4.512 -1.613 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.104 2.147 0.042 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.718 3.726 0.571 1.00 0.00 H ATOM 68 HE ARG A 5 -6.176 2.564 -2.147 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.297 5.536 -2.092 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.967 5.836 -1.742 1.00 0.00 H ATOM 71 HH21 ARG A 5 -8.584 2.615 -0.618 1.00 0.00 H ATOM 72 HH22 ARG A 5 -9.261 4.183 -0.908 1.00 0.00 H ATOM 73 N GLN A 6 -1.056 0.477 -1.336 1.00 0.00 N ATOM 74 CA GLN A 6 -0.704 -0.969 -1.394 1.00 0.00 C ATOM 75 C GLN A 6 0.222 -1.323 -0.229 1.00 0.00 C ATOM 76 O GLN A 6 -0.014 -2.269 0.497 1.00 0.00 O ATOM 77 CB GLN A 6 0.018 -1.149 -2.729 1.00 0.00 C ATOM 78 CG GLN A 6 -0.971 -1.652 -3.781 1.00 0.00 C ATOM 79 CD GLN A 6 -0.498 -1.226 -5.172 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.677 -1.291 -5.473 1.00 0.00 O ATOM 81 NE2 GLN A 6 -1.369 -0.789 -6.039 1.00 0.00 N ATOM 82 H GLN A 6 -0.766 1.081 -2.052 1.00 0.00 H ATOM 83 HA GLN A 6 -1.595 -1.576 -1.370 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.432 -0.203 -3.045 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.814 -1.869 -2.613 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.029 -2.730 -3.734 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.946 -1.229 -3.590 1.00 0.00 H ATOM 88 HE21 GLN A 6 -2.317 -0.736 -5.797 1.00 0.00 H ATOM 89 HE22 GLN A 6 -1.076 -0.515 -6.933 1.00 0.00 H ATOM 90 N LEU A 7 1.272 -0.570 -0.038 1.00 0.00 N ATOM 91 CA LEU A 7 2.202 -0.868 1.088 1.00 0.00 C ATOM 92 C LEU A 7 1.437 -0.852 2.413 1.00 0.00 C ATOM 93 O LEU A 7 1.566 -1.744 3.229 1.00 0.00 O ATOM 94 CB LEU A 7 3.242 0.254 1.051 1.00 0.00 C ATOM 95 CG LEU A 7 4.463 -0.156 1.874 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.729 0.407 1.226 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.329 0.399 3.294 1.00 0.00 C ATOM 98 H LEU A 7 1.445 0.193 -0.631 1.00 0.00 H ATOM 99 HA LEU A 7 2.680 -1.822 0.939 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.539 0.435 0.028 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.815 1.154 1.467 1.00 0.00 H ATOM 102 HG LEU A 7 4.528 -1.234 1.911 1.00 0.00 H ATOM 103 HD11 LEU A 7 6.118 1.211 1.833 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.491 0.783 0.241 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.470 -0.374 1.143 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.308 0.651 3.676 1.00 0.00 H ATOM 107 HD22 LEU A 7 3.876 -0.347 3.930 1.00 0.00 H ATOM 108 HD23 LEU A 7 3.710 1.283 3.278 1.00 0.00 H ATOM 109 N GLU A 8 0.628 0.150 2.626 1.00 0.00 N ATOM 110 CA GLU A 8 -0.154 0.214 3.890 1.00 0.00 C ATOM 111 C GLU A 8 -1.133 -0.956 3.931 1.00 0.00 C ATOM 112 O GLU A 8 -1.544 -1.404 4.983 1.00 0.00 O ATOM 113 CB GLU A 8 -0.904 1.545 3.831 1.00 0.00 C ATOM 114 CG GLU A 8 -0.049 2.642 4.468 1.00 0.00 C ATOM 115 CD GLU A 8 -0.451 2.817 5.932 1.00 0.00 C ATOM 116 OE1 GLU A 8 -0.314 1.864 6.682 1.00 0.00 O ATOM 117 OE2 GLU A 8 -0.889 3.902 6.281 1.00 0.00 O ATOM 118 H GLU A 8 0.527 0.851 1.951 1.00 0.00 H ATOM 119 HA GLU A 8 0.502 0.191 4.745 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.109 1.797 2.801 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.835 1.458 4.372 1.00 0.00 H ATOM 122 HG2 GLU A 8 0.994 2.366 4.408 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.206 3.571 3.940 1.00 0.00 H ATOM 124 N GLU A 9 -1.498 -1.459 2.785 1.00 0.00 N ATOM 125 CA GLU A 9 -2.442 -2.610 2.745 1.00 0.00 C ATOM 126 C GLU A 9 -1.671 -3.913 2.954 1.00 0.00 C ATOM 127 O GLU A 9 -2.229 -4.927 3.326 1.00 0.00 O ATOM 128 CB GLU A 9 -3.065 -2.568 1.350 1.00 0.00 C ATOM 129 CG GLU A 9 -4.250 -1.602 1.346 1.00 0.00 C ATOM 130 CD GLU A 9 -4.600 -1.228 -0.096 1.00 0.00 C ATOM 131 OE1 GLU A 9 -3.944 -1.731 -0.993 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.516 -0.444 -0.278 1.00 0.00 O ATOM 133 H GLU A 9 -1.144 -1.082 1.950 1.00 0.00 H ATOM 134 HA GLU A 9 -3.205 -2.498 3.498 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.325 -2.235 0.635 1.00 0.00 H ATOM 136 HB3 GLU A 9 -3.409 -3.556 1.079 1.00 0.00 H ATOM 137 HG2 GLU A 9 -5.103 -2.076 1.813 1.00 0.00 H ATOM 138 HG3 GLU A 9 -3.989 -0.709 1.894 1.00 0.00 H ATOM 139 N PHE A 10 -0.388 -3.888 2.722 1.00 0.00 N ATOM 140 CA PHE A 10 0.429 -5.119 2.911 1.00 0.00 C ATOM 141 C PHE A 10 1.104 -5.082 4.283 1.00 0.00 C ATOM 142 O PHE A 10 1.639 -6.067 4.751 1.00 0.00 O ATOM 143 CB PHE A 10 1.474 -5.080 1.795 1.00 0.00 C ATOM 144 CG PHE A 10 1.722 -6.479 1.288 1.00 0.00 C ATOM 145 CD1 PHE A 10 2.632 -7.312 1.950 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.043 -6.944 0.155 1.00 0.00 C ATOM 147 CE1 PHE A 10 2.863 -8.610 1.479 1.00 0.00 C ATOM 148 CE2 PHE A 10 1.274 -8.242 -0.316 1.00 0.00 C ATOM 149 CZ PHE A 10 2.184 -9.075 0.347 1.00 0.00 C ATOM 150 H PHE A 10 0.040 -3.057 2.428 1.00 0.00 H ATOM 151 HA PHE A 10 -0.185 -6.000 2.813 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.113 -4.460 0.987 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.395 -4.668 2.180 1.00 0.00 H ATOM 154 HD1 PHE A 10 3.156 -6.953 2.823 1.00 0.00 H ATOM 155 HD2 PHE A 10 0.341 -6.301 -0.356 1.00 0.00 H ATOM 156 HE1 PHE A 10 3.565 -9.253 1.990 1.00 0.00 H ATOM 157 HE2 PHE A 10 0.750 -8.601 -1.189 1.00 0.00 H ATOM 158 HZ PHE A 10 2.362 -10.076 -0.016 1.00 0.00 H ATOM 159 N LEU A 11 1.081 -3.949 4.930 1.00 0.00 N ATOM 160 CA LEU A 11 1.720 -3.844 6.274 1.00 0.00 C ATOM 161 C LEU A 11 0.668 -3.514 7.335 1.00 0.00 C ATOM 162 O LEU A 11 0.998 -3.155 8.448 1.00 0.00 O ATOM 163 CB LEU A 11 2.730 -2.703 6.144 1.00 0.00 C ATOM 164 CG LEU A 11 4.148 -3.274 6.166 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.310 -4.281 5.026 1.00 0.00 C ATOM 166 CD2 LEU A 11 5.157 -2.138 5.988 1.00 0.00 C ATOM 167 H LEU A 11 0.643 -3.165 4.531 1.00 0.00 H ATOM 168 HA LEU A 11 2.231 -4.762 6.520 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.565 -2.180 5.214 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.608 -2.019 6.971 1.00 0.00 H ATOM 171 HG LEU A 11 4.323 -3.769 7.111 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.787 -5.193 5.275 1.00 0.00 H ATOM 173 HD12 LEU A 11 5.359 -4.495 4.880 1.00 0.00 H ATOM 174 HD13 LEU A 11 3.897 -3.867 4.118 1.00 0.00 H ATOM 175 HD21 LEU A 11 5.049 -1.431 6.796 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.975 -1.639 5.047 1.00 0.00 H ATOM 177 HD23 LEU A 11 6.158 -2.542 5.994 1.00 0.00 H HETATM 178 N NH2 A 12 -0.598 -3.623 7.036 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.866 -3.912 6.138 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -1.280 -3.413 7.708 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 43 HETATM 1 C ACE A 1 -0.637 5.712 -4.008 1.00 0.00 C HETATM 2 O ACE A 1 -1.188 5.123 -3.096 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.152 7.154 -3.842 1.00 0.00 C HETATM 4 H1 ACE A 1 0.922 7.187 -3.956 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.421 7.514 -2.860 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.614 7.778 -4.593 1.00 0.00 H ATOM 7 N LEU A 2 -0.433 5.135 -5.160 1.00 0.00 N ATOM 8 CA LEU A 2 -0.878 3.731 -5.377 1.00 0.00 C ATOM 9 C LEU A 2 0.043 2.781 -4.617 1.00 0.00 C ATOM 10 O LEU A 2 -0.398 1.868 -3.947 1.00 0.00 O ATOM 11 CB LEU A 2 -0.767 3.504 -6.885 1.00 0.00 C ATOM 12 CG LEU A 2 -2.128 3.086 -7.442 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.630 4.152 -8.418 1.00 0.00 C ATOM 14 CD2 LEU A 2 -1.991 1.750 -8.175 1.00 0.00 C ATOM 15 H LEU A 2 0.020 5.621 -5.880 1.00 0.00 H ATOM 16 HA LEU A 2 -1.899 3.604 -5.056 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.445 4.418 -7.363 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.047 2.724 -7.079 1.00 0.00 H ATOM 19 HG LEU A 2 -2.834 2.983 -6.629 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.396 3.728 -9.052 1.00 0.00 H ATOM 21 HD12 LEU A 2 -1.808 4.497 -9.028 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.042 4.984 -7.865 1.00 0.00 H ATOM 23 HD21 LEU A 2 -2.973 1.357 -8.393 1.00 0.00 H ATOM 24 HD22 LEU A 2 -1.454 1.051 -7.550 1.00 0.00 H ATOM 25 HD23 LEU A 2 -1.449 1.900 -9.097 1.00 0.00 H ATOM 26 N VAL A 3 1.325 3.003 -4.703 1.00 0.00 N ATOM 27 CA VAL A 3 2.278 2.124 -3.972 1.00 0.00 C ATOM 28 C VAL A 3 2.135 2.370 -2.470 1.00 0.00 C ATOM 29 O VAL A 3 2.450 1.524 -1.655 1.00 0.00 O ATOM 30 CB VAL A 3 3.666 2.543 -4.460 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.729 2.020 -3.493 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.912 1.955 -5.852 1.00 0.00 C ATOM 33 H VAL A 3 1.656 3.755 -5.239 1.00 0.00 H ATOM 34 HA VAL A 3 2.097 1.087 -4.207 1.00 0.00 H ATOM 35 HB VAL A 3 3.720 3.620 -4.508 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.641 1.820 -4.035 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.378 1.109 -3.029 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.917 2.761 -2.731 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.932 1.609 -5.921 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.737 2.714 -6.599 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.239 1.125 -6.016 1.00 0.00 H ATOM 42 N GLY A 4 1.642 3.522 -2.103 1.00 0.00 N ATOM 43 CA GLY A 4 1.457 3.830 -0.660 1.00 0.00 C ATOM 44 C GLY A 4 0.228 3.081 -0.158 1.00 0.00 C ATOM 45 O GLY A 4 0.258 2.431 0.869 1.00 0.00 O ATOM 46 H GLY A 4 1.380 4.180 -2.782 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.331 3.513 -0.106 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.309 4.891 -0.530 1.00 0.00 H ATOM 49 N ARG A 5 -0.852 3.151 -0.886 1.00 0.00 N ATOM 50 CA ARG A 5 -2.079 2.423 -0.457 1.00 0.00 C ATOM 51 C ARG A 5 -1.761 0.933 -0.338 1.00 0.00 C ATOM 52 O ARG A 5 -2.083 0.291 0.643 1.00 0.00 O ATOM 53 CB ARG A 5 -3.100 2.671 -1.568 1.00 0.00 C ATOM 54 CG ARG A 5 -4.314 3.403 -0.992 1.00 0.00 C ATOM 55 CD ARG A 5 -5.264 2.390 -0.351 1.00 0.00 C ATOM 56 NE ARG A 5 -6.617 2.997 -0.480 1.00 0.00 N ATOM 57 CZ ARG A 5 -7.601 2.565 0.261 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.702 1.293 0.532 1.00 0.00 N ATOM 59 NH2 ARG A 5 -8.483 3.404 0.731 1.00 0.00 N ATOM 60 H ARG A 5 -0.852 3.670 -1.719 1.00 0.00 H ATOM 61 HA ARG A 5 -2.443 2.812 0.481 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.649 3.275 -2.342 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.415 1.727 -1.984 1.00 0.00 H ATOM 64 HG2 ARG A 5 -3.986 4.112 -0.247 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.828 3.926 -1.784 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.220 1.447 -0.881 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.020 2.249 0.690 1.00 0.00 H ATOM 68 HE ARG A 5 -6.769 3.723 -1.121 1.00 0.00 H ATOM 69 HH11 ARG A 5 -7.027 0.649 0.173 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.456 0.961 1.100 1.00 0.00 H ATOM 71 HH21 ARG A 5 -8.405 4.379 0.524 1.00 0.00 H ATOM 72 HH22 ARG A 5 -9.237 3.072 1.299 1.00 0.00 H ATOM 73 N GLN A 6 -1.115 0.380 -1.330 1.00 0.00 N ATOM 74 CA GLN A 6 -0.763 -1.065 -1.272 1.00 0.00 C ATOM 75 C GLN A 6 0.144 -1.327 -0.069 1.00 0.00 C ATOM 76 O GLN A 6 -0.152 -2.149 0.775 1.00 0.00 O ATOM 77 CB GLN A 6 -0.023 -1.349 -2.579 1.00 0.00 C ATOM 78 CG GLN A 6 -0.691 -2.522 -3.298 1.00 0.00 C ATOM 79 CD GLN A 6 -0.049 -2.713 -4.673 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.579 -1.812 -5.193 1.00 0.00 O ATOM 81 NE2 GLN A 6 -0.180 -3.856 -5.287 1.00 0.00 N ATOM 82 H GLN A 6 -0.856 0.919 -2.107 1.00 0.00 H ATOM 83 HA GLN A 6 -1.654 -1.669 -1.212 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.057 -0.472 -3.209 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.005 -1.600 -2.363 1.00 0.00 H ATOM 86 HG2 GLN A 6 -0.566 -3.422 -2.713 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.744 -2.317 -3.421 1.00 0.00 H ATOM 88 HE21 GLN A 6 -0.686 -4.583 -4.868 1.00 0.00 H ATOM 89 HE22 GLN A 6 0.229 -3.988 -6.169 1.00 0.00 H ATOM 90 N LEU A 7 1.244 -0.627 0.026 1.00 0.00 N ATOM 91 CA LEU A 7 2.154 -0.838 1.186 1.00 0.00 C ATOM 92 C LEU A 7 1.346 -0.797 2.483 1.00 0.00 C ATOM 93 O LEU A 7 1.483 -1.650 3.341 1.00 0.00 O ATOM 94 CB LEU A 7 3.147 0.325 1.136 1.00 0.00 C ATOM 95 CG LEU A 7 4.558 -0.220 0.912 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.932 -1.153 2.064 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.598 -0.996 -0.406 1.00 0.00 C ATOM 98 H LEU A 7 1.465 0.039 -0.661 1.00 0.00 H ATOM 99 HA LEU A 7 2.675 -1.777 1.093 1.00 0.00 H ATOM 100 HB2 LEU A 7 2.883 0.988 0.325 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.116 0.866 2.069 1.00 0.00 H ATOM 102 HG LEU A 7 5.258 0.601 0.871 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.553 -0.622 2.770 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.474 -2.003 1.676 1.00 0.00 H ATOM 105 HD13 LEU A 7 4.034 -1.494 2.558 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.892 -2.018 -0.213 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.313 -0.536 -1.073 1.00 0.00 H ATOM 108 HD23 LEU A 7 3.620 -0.983 -0.863 1.00 0.00 H ATOM 109 N GLU A 8 0.490 0.177 2.624 1.00 0.00 N ATOM 110 CA GLU A 8 -0.339 0.262 3.856 1.00 0.00 C ATOM 111 C GLU A 8 -1.256 -0.955 3.920 1.00 0.00 C ATOM 112 O GLU A 8 -1.672 -1.386 4.976 1.00 0.00 O ATOM 113 CB GLU A 8 -1.153 1.547 3.704 1.00 0.00 C ATOM 114 CG GLU A 8 -0.232 2.758 3.867 1.00 0.00 C ATOM 115 CD GLU A 8 -0.375 3.322 5.281 1.00 0.00 C ATOM 116 OE1 GLU A 8 -0.291 2.546 6.219 1.00 0.00 O ATOM 117 OE2 GLU A 8 -0.566 4.522 5.402 1.00 0.00 O ATOM 118 H GLU A 8 0.384 0.843 1.916 1.00 0.00 H ATOM 119 HA GLU A 8 0.286 0.316 4.733 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.610 1.571 2.725 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.922 1.579 4.462 1.00 0.00 H ATOM 122 HG2 GLU A 8 0.792 2.455 3.700 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.505 3.517 3.149 1.00 0.00 H ATOM 124 N GLU A 9 -1.564 -1.520 2.785 1.00 0.00 N ATOM 125 CA GLU A 9 -2.445 -2.720 2.765 1.00 0.00 C ATOM 126 C GLU A 9 -1.600 -3.982 2.947 1.00 0.00 C ATOM 127 O GLU A 9 -2.106 -5.042 3.260 1.00 0.00 O ATOM 128 CB GLU A 9 -3.107 -2.707 1.386 1.00 0.00 C ATOM 129 CG GLU A 9 -4.542 -3.223 1.503 1.00 0.00 C ATOM 130 CD GLU A 9 -4.690 -4.509 0.687 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.089 -5.499 1.065 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.404 -4.480 -0.302 1.00 0.00 O ATOM 133 H GLU A 9 -1.207 -1.154 1.944 1.00 0.00 H ATOM 134 HA GLU A 9 -3.193 -2.651 3.538 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.116 -1.697 1.001 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.551 -3.343 0.713 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.769 -3.425 2.540 1.00 0.00 H ATOM 138 HG3 GLU A 9 -5.224 -2.477 1.122 1.00 0.00 H ATOM 139 N PHE A 10 -0.313 -3.874 2.759 1.00 0.00 N ATOM 140 CA PHE A 10 0.568 -5.064 2.927 1.00 0.00 C ATOM 141 C PHE A 10 1.254 -5.019 4.294 1.00 0.00 C ATOM 142 O PHE A 10 1.862 -5.979 4.725 1.00 0.00 O ATOM 143 CB PHE A 10 1.600 -4.958 1.804 1.00 0.00 C ATOM 144 CG PHE A 10 1.247 -5.927 0.700 1.00 0.00 C ATOM 145 CD1 PHE A 10 0.284 -5.579 -0.253 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.881 -7.173 0.633 1.00 0.00 C ATOM 147 CE1 PHE A 10 -0.044 -6.476 -1.277 1.00 0.00 C ATOM 148 CE2 PHE A 10 1.553 -8.071 -0.390 1.00 0.00 C ATOM 149 CZ PHE A 10 0.590 -7.722 -1.345 1.00 0.00 C ATOM 150 H PHE A 10 0.075 -3.010 2.511 1.00 0.00 H ATOM 151 HA PHE A 10 -0.003 -5.974 2.820 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.605 -3.952 1.412 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.579 -5.197 2.191 1.00 0.00 H ATOM 154 HD1 PHE A 10 -0.206 -4.617 -0.201 1.00 0.00 H ATOM 155 HD2 PHE A 10 2.624 -7.443 1.369 1.00 0.00 H ATOM 156 HE1 PHE A 10 -0.787 -6.207 -2.013 1.00 0.00 H ATOM 157 HE2 PHE A 10 2.043 -9.033 -0.443 1.00 0.00 H ATOM 158 HZ PHE A 10 0.336 -8.415 -2.134 1.00 0.00 H ATOM 159 N LEU A 11 1.160 -3.912 4.981 1.00 0.00 N ATOM 160 CA LEU A 11 1.811 -3.816 6.320 1.00 0.00 C ATOM 161 C LEU A 11 1.150 -4.791 7.296 1.00 0.00 C ATOM 162 O LEU A 11 -0.059 -4.915 7.332 1.00 0.00 O ATOM 163 CB LEU A 11 1.603 -2.365 6.768 1.00 0.00 C ATOM 164 CG LEU A 11 0.167 -2.167 7.262 1.00 0.00 C ATOM 165 CD1 LEU A 11 0.045 -2.653 8.708 1.00 0.00 C ATOM 166 CD2 LEU A 11 -0.187 -0.679 7.201 1.00 0.00 C ATOM 167 H LEU A 11 0.664 -3.146 4.617 1.00 0.00 H ATOM 168 HA LEU A 11 2.865 -4.027 6.238 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.292 -2.136 7.569 1.00 0.00 H ATOM 170 HB3 LEU A 11 1.789 -1.702 5.936 1.00 0.00 H ATOM 171 HG LEU A 11 -0.511 -2.727 6.635 1.00 0.00 H ATOM 172 HD11 LEU A 11 -0.775 -3.351 8.785 1.00 0.00 H ATOM 173 HD12 LEU A 11 -0.138 -1.810 9.357 1.00 0.00 H ATOM 174 HD13 LEU A 11 0.962 -3.142 9.002 1.00 0.00 H ATOM 175 HD21 LEU A 11 0.486 -0.176 6.524 1.00 0.00 H ATOM 176 HD22 LEU A 11 -0.097 -0.248 8.186 1.00 0.00 H ATOM 177 HD23 LEU A 11 -1.202 -0.565 6.851 1.00 0.00 H HETATM 178 N NH2 A 12 1.898 -5.497 8.098 1.00 0.00 N HETATM 179 HN1 NH2 A 12 2.873 -5.399 8.072 1.00 0.00 H HETATM 180 HN2 NH2 A 12 1.486 -6.124 8.728 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 44 HETATM 1 C ACE A 1 -0.624 5.625 -4.021 1.00 0.00 C HETATM 2 O ACE A 1 -1.055 5.063 -3.032 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.202 7.095 -3.978 1.00 0.00 C HETATM 4 H1 ACE A 1 -1.069 7.713 -3.798 1.00 0.00 H HETATM 5 H2 ACE A 1 0.246 7.369 -4.922 1.00 0.00 H HETATM 6 H3 ACE A 1 0.516 7.241 -3.184 1.00 0.00 H ATOM 7 N LEU A 2 -0.496 4.992 -5.156 1.00 0.00 N ATOM 8 CA LEU A 2 -0.885 3.557 -5.253 1.00 0.00 C ATOM 9 C LEU A 2 0.100 2.707 -4.456 1.00 0.00 C ATOM 10 O LEU A 2 -0.269 1.735 -3.828 1.00 0.00 O ATOM 11 CB LEU A 2 -0.812 3.219 -6.742 1.00 0.00 C ATOM 12 CG LEU A 2 -2.151 2.640 -7.203 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.496 1.411 -6.359 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.246 3.695 -7.039 1.00 0.00 C ATOM 15 H LEU A 2 -0.138 5.457 -5.940 1.00 0.00 H ATOM 16 HA LEU A 2 -1.889 3.413 -4.887 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.594 4.115 -7.304 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.031 2.491 -6.909 1.00 0.00 H ATOM 19 HG LEU A 2 -2.079 2.352 -8.242 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.005 1.484 -5.401 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.162 0.519 -6.867 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.565 1.363 -6.214 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.133 4.186 -6.083 1.00 0.00 H ATOM 24 HD22 LEU A 2 -4.215 3.220 -7.086 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.165 4.425 -7.830 1.00 0.00 H ATOM 26 N VAL A 3 1.349 3.074 -4.466 1.00 0.00 N ATOM 27 CA VAL A 3 2.354 2.294 -3.694 1.00 0.00 C ATOM 28 C VAL A 3 2.119 2.506 -2.199 1.00 0.00 C ATOM 29 O VAL A 3 2.444 1.669 -1.379 1.00 0.00 O ATOM 30 CB VAL A 3 3.711 2.860 -4.107 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.754 4.359 -3.802 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.814 2.148 -3.321 1.00 0.00 C ATOM 33 H VAL A 3 1.623 3.871 -4.971 1.00 0.00 H ATOM 34 HA VAL A 3 2.296 1.246 -3.943 1.00 0.00 H ATOM 35 HB VAL A 3 3.859 2.704 -5.165 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.298 4.870 -4.583 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.249 4.518 -2.855 1.00 0.00 H ATOM 38 HG13 VAL A 3 2.748 4.746 -3.752 1.00 0.00 H ATOM 39 HG21 VAL A 3 5.638 1.922 -3.981 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.424 1.232 -2.905 1.00 0.00 H ATOM 41 HG23 VAL A 3 5.157 2.789 -2.522 1.00 0.00 H ATOM 42 N GLY A 4 1.542 3.622 -1.844 1.00 0.00 N ATOM 43 CA GLY A 4 1.269 3.897 -0.408 1.00 0.00 C ATOM 44 C GLY A 4 0.056 3.079 0.025 1.00 0.00 C ATOM 45 O GLY A 4 0.065 2.433 1.053 1.00 0.00 O ATOM 46 H GLY A 4 1.280 4.275 -2.527 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.130 3.616 0.184 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.060 4.946 -0.272 1.00 0.00 H ATOM 49 N ARG A 5 -0.986 3.093 -0.760 1.00 0.00 N ATOM 50 CA ARG A 5 -2.195 2.303 -0.398 1.00 0.00 C ATOM 51 C ARG A 5 -1.848 0.812 -0.376 1.00 0.00 C ATOM 52 O ARG A 5 -2.225 0.088 0.524 1.00 0.00 O ATOM 53 CB ARG A 5 -3.213 2.600 -1.498 1.00 0.00 C ATOM 54 CG ARG A 5 -4.423 1.679 -1.337 1.00 0.00 C ATOM 55 CD ARG A 5 -5.704 2.515 -1.300 1.00 0.00 C ATOM 56 NE ARG A 5 -6.131 2.501 0.126 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.242 3.621 0.785 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.593 4.712 0.160 1.00 0.00 N ATOM 59 NH2 ARG A 5 -6.001 3.651 2.066 1.00 0.00 N ATOM 60 H ARG A 5 -0.969 3.616 -1.592 1.00 0.00 H ATOM 61 HA ARG A 5 -2.580 2.617 0.560 1.00 0.00 H ATOM 62 HB2 ARG A 5 -3.531 3.630 -1.425 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.760 2.430 -2.462 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.466 0.991 -2.169 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.333 1.122 -0.415 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.500 3.526 -1.624 1.00 0.00 H ATOM 67 HD3 ARG A 5 -6.466 2.066 -1.919 1.00 0.00 H ATOM 68 HE ARG A 5 -6.329 1.650 0.570 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.776 4.689 -0.822 1.00 0.00 H ATOM 70 HH12 ARG A 5 -6.680 5.571 0.665 1.00 0.00 H ATOM 71 HH21 ARG A 5 -5.731 2.815 2.543 1.00 0.00 H ATOM 72 HH22 ARG A 5 -6.087 4.510 2.572 1.00 0.00 H ATOM 73 N GLN A 6 -1.123 0.352 -1.360 1.00 0.00 N ATOM 74 CA GLN A 6 -0.744 -1.089 -1.396 1.00 0.00 C ATOM 75 C GLN A 6 0.209 -1.407 -0.242 1.00 0.00 C ATOM 76 O GLN A 6 -0.085 -2.225 0.606 1.00 0.00 O ATOM 77 CB GLN A 6 -0.050 -1.286 -2.743 1.00 0.00 C ATOM 78 CG GLN A 6 -1.093 -1.246 -3.863 1.00 0.00 C ATOM 79 CD GLN A 6 -0.403 -1.302 -5.231 1.00 0.00 C ATOM 80 OE1 GLN A 6 -1.063 -1.316 -6.250 1.00 0.00 O ATOM 81 NE2 GLN A 6 0.902 -1.334 -5.305 1.00 0.00 N ATOM 82 H GLN A 6 -0.825 0.955 -2.073 1.00 0.00 H ATOM 83 HA GLN A 6 -1.624 -1.711 -1.340 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.674 -0.497 -2.894 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.451 -2.243 -2.754 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.757 -2.092 -3.761 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.662 -0.332 -3.788 1.00 0.00 H ATOM 88 HE21 GLN A 6 1.443 -1.323 -4.489 1.00 0.00 H ATOM 89 HE22 GLN A 6 1.341 -1.370 -6.180 1.00 0.00 H ATOM 90 N LEU A 7 1.344 -0.762 -0.194 1.00 0.00 N ATOM 91 CA LEU A 7 2.296 -1.035 0.920 1.00 0.00 C ATOM 92 C LEU A 7 1.561 -0.922 2.257 1.00 0.00 C ATOM 93 O LEU A 7 1.660 -1.784 3.111 1.00 0.00 O ATOM 94 CB LEU A 7 3.372 0.044 0.803 1.00 0.00 C ATOM 95 CG LEU A 7 4.231 0.048 2.069 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.817 -1.347 2.295 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.370 1.058 1.908 1.00 0.00 C ATOM 98 H LEU A 7 1.565 -0.097 -0.882 1.00 0.00 H ATOM 99 HA LEU A 7 2.735 -2.013 0.810 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.994 -0.161 -0.055 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.902 1.010 0.686 1.00 0.00 H ATOM 102 HG LEU A 7 3.621 0.324 2.917 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.192 -1.420 3.306 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.626 -1.514 1.600 1.00 0.00 H ATOM 105 HD13 LEU A 7 4.049 -2.090 2.141 1.00 0.00 H ATOM 106 HD21 LEU A 7 6.287 0.628 2.282 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.138 1.954 2.463 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.488 1.302 0.862 1.00 0.00 H ATOM 109 N GLU A 8 0.805 0.127 2.434 1.00 0.00 N ATOM 110 CA GLU A 8 0.046 0.290 3.702 1.00 0.00 C ATOM 111 C GLU A 8 -0.992 -0.824 3.804 1.00 0.00 C ATOM 112 O GLU A 8 -1.421 -1.198 4.878 1.00 0.00 O ATOM 113 CB GLU A 8 -0.632 1.657 3.590 1.00 0.00 C ATOM 114 CG GLU A 8 -1.643 1.819 4.725 1.00 0.00 C ATOM 115 CD GLU A 8 -3.052 1.936 4.141 1.00 0.00 C ATOM 116 OE1 GLU A 8 -3.293 2.886 3.415 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.865 1.074 4.429 1.00 0.00 O ATOM 118 H GLU A 8 0.726 0.798 1.726 1.00 0.00 H ATOM 119 HA GLU A 8 0.712 0.270 4.549 1.00 0.00 H ATOM 120 HB2 GLU A 8 0.115 2.436 3.656 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.144 1.728 2.642 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.593 0.958 5.377 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.413 2.711 5.287 1.00 0.00 H ATOM 124 N GLU A 9 -1.387 -1.366 2.684 1.00 0.00 N ATOM 125 CA GLU A 9 -2.388 -2.470 2.700 1.00 0.00 C ATOM 126 C GLU A 9 -1.679 -3.798 2.968 1.00 0.00 C ATOM 127 O GLU A 9 -2.281 -4.764 3.390 1.00 0.00 O ATOM 128 CB GLU A 9 -3.014 -2.461 1.304 1.00 0.00 C ATOM 129 CG GLU A 9 -3.799 -3.755 1.086 1.00 0.00 C ATOM 130 CD GLU A 9 -2.900 -4.791 0.407 1.00 0.00 C ATOM 131 OE1 GLU A 9 -1.706 -4.554 0.335 1.00 0.00 O ATOM 132 OE2 GLU A 9 -3.423 -5.804 -0.028 1.00 0.00 O ATOM 133 H GLU A 9 -1.017 -1.050 1.831 1.00 0.00 H ATOM 134 HA GLU A 9 -3.142 -2.286 3.447 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.680 -1.615 1.214 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.234 -2.385 0.560 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.134 -4.137 2.039 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.653 -3.555 0.457 1.00 0.00 H ATOM 139 N PHE A 10 -0.396 -3.844 2.736 1.00 0.00 N ATOM 140 CA PHE A 10 0.365 -5.099 2.986 1.00 0.00 C ATOM 141 C PHE A 10 1.030 -5.029 4.361 1.00 0.00 C ATOM 142 O PHE A 10 1.506 -6.017 4.885 1.00 0.00 O ATOM 143 CB PHE A 10 1.419 -5.154 1.880 1.00 0.00 C ATOM 144 CG PHE A 10 0.763 -5.550 0.578 1.00 0.00 C ATOM 145 CD1 PHE A 10 0.144 -6.801 0.459 1.00 0.00 C ATOM 146 CD2 PHE A 10 0.775 -4.669 -0.509 1.00 0.00 C ATOM 147 CE1 PHE A 10 -0.463 -7.170 -0.747 1.00 0.00 C ATOM 148 CE2 PHE A 10 0.167 -5.038 -1.715 1.00 0.00 C ATOM 149 CZ PHE A 10 -0.451 -6.288 -1.835 1.00 0.00 C ATOM 150 H PHE A 10 0.069 -3.048 2.402 1.00 0.00 H ATOM 151 HA PHE A 10 -0.285 -5.957 2.922 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.876 -4.180 1.771 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.175 -5.880 2.137 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.136 -7.481 1.299 1.00 0.00 H ATOM 155 HD2 PHE A 10 1.253 -3.704 -0.417 1.00 0.00 H ATOM 156 HE1 PHE A 10 -0.940 -8.133 -0.838 1.00 0.00 H ATOM 157 HE2 PHE A 10 0.176 -4.357 -2.554 1.00 0.00 H ATOM 158 HZ PHE A 10 -0.919 -6.572 -2.765 1.00 0.00 H ATOM 159 N LEU A 11 1.064 -3.863 4.949 1.00 0.00 N ATOM 160 CA LEU A 11 1.697 -3.724 6.293 1.00 0.00 C ATOM 161 C LEU A 11 0.801 -2.892 7.215 1.00 0.00 C ATOM 162 O LEU A 11 1.130 -1.776 7.563 1.00 0.00 O ATOM 163 CB LEU A 11 3.019 -3.000 6.035 1.00 0.00 C ATOM 164 CG LEU A 11 4.167 -3.795 6.659 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.664 -4.843 5.663 1.00 0.00 C ATOM 166 CD2 LEU A 11 5.313 -2.844 7.010 1.00 0.00 C ATOM 167 H LEU A 11 0.673 -3.079 4.506 1.00 0.00 H ATOM 168 HA LEU A 11 1.885 -4.694 6.725 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.178 -2.910 4.970 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.983 -2.016 6.479 1.00 0.00 H ATOM 171 HG LEU A 11 3.819 -4.287 7.555 1.00 0.00 H ATOM 172 HD11 LEU A 11 5.040 -4.351 4.778 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.848 -5.497 5.391 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.454 -5.424 6.115 1.00 0.00 H ATOM 175 HD21 LEU A 11 5.858 -3.234 7.857 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.912 -1.872 7.256 1.00 0.00 H ATOM 177 HD23 LEU A 11 5.979 -2.754 6.165 1.00 0.00 H HETATM 178 N NH2 A 12 -0.330 -3.394 7.629 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.598 -4.295 7.350 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.912 -2.871 8.218 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 45 HETATM 1 C ACE A 1 -0.590 5.591 -4.194 1.00 0.00 C HETATM 2 O ACE A 1 -1.039 5.092 -3.179 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.116 7.047 -4.221 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.971 7.704 -4.149 1.00 0.00 H HETATM 5 H2 ACE A 1 0.408 7.237 -5.147 1.00 0.00 H HETATM 6 H3 ACE A 1 0.547 7.225 -3.389 1.00 0.00 H ATOM 7 N LEU A 2 -0.491 4.902 -5.299 1.00 0.00 N ATOM 8 CA LEU A 2 -0.935 3.479 -5.328 1.00 0.00 C ATOM 9 C LEU A 2 0.053 2.614 -4.550 1.00 0.00 C ATOM 10 O LEU A 2 -0.325 1.681 -3.869 1.00 0.00 O ATOM 11 CB LEU A 2 -0.949 3.091 -6.809 1.00 0.00 C ATOM 12 CG LEU A 2 -2.194 2.251 -7.107 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.588 2.422 -8.577 1.00 0.00 C ATOM 14 CD2 LEU A 2 -1.892 0.776 -6.832 1.00 0.00 C ATOM 15 H LEU A 2 -0.122 5.317 -6.106 1.00 0.00 H ATOM 16 HA LEU A 2 -1.923 3.386 -4.910 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.962 3.985 -7.416 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.066 2.513 -7.037 1.00 0.00 H ATOM 19 HG LEU A 2 -3.007 2.578 -6.477 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.360 1.516 -9.118 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.036 3.246 -9.004 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.647 2.626 -8.644 1.00 0.00 H ATOM 23 HD21 LEU A 2 -2.372 0.477 -5.910 1.00 0.00 H ATOM 24 HD22 LEU A 2 -0.825 0.638 -6.743 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.267 0.174 -7.645 1.00 0.00 H ATOM 26 N VAL A 3 1.315 2.923 -4.632 1.00 0.00 N ATOM 27 CA VAL A 3 2.321 2.123 -3.881 1.00 0.00 C ATOM 28 C VAL A 3 2.193 2.429 -2.387 1.00 0.00 C ATOM 29 O VAL A 3 2.522 1.618 -1.542 1.00 0.00 O ATOM 30 CB VAL A 3 3.683 2.575 -4.414 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.742 1.529 -4.058 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.615 2.728 -5.936 1.00 0.00 C ATOM 33 H VAL A 3 1.599 3.688 -5.178 1.00 0.00 H ATOM 34 HA VAL A 3 2.181 1.069 -4.064 1.00 0.00 H ATOM 35 HB VAL A 3 3.949 3.523 -3.965 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.256 0.634 -3.698 1.00 0.00 H ATOM 37 HG12 VAL A 3 5.390 1.921 -3.288 1.00 0.00 H ATOM 38 HG13 VAL A 3 5.324 1.294 -4.935 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.422 3.761 -6.186 1.00 0.00 H ATOM 40 HG22 VAL A 3 2.818 2.110 -6.324 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.554 2.421 -6.373 1.00 0.00 H ATOM 42 N GLY A 4 1.698 3.593 -2.059 1.00 0.00 N ATOM 43 CA GLY A 4 1.531 3.955 -0.625 1.00 0.00 C ATOM 44 C GLY A 4 0.309 3.226 -0.078 1.00 0.00 C ATOM 45 O GLY A 4 0.361 2.591 0.957 1.00 0.00 O ATOM 46 H GLY A 4 1.422 4.222 -2.758 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.411 3.658 -0.072 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.384 5.019 -0.533 1.00 0.00 H ATOM 49 N ARG A 5 -0.791 3.299 -0.776 1.00 0.00 N ATOM 50 CA ARG A 5 -2.014 2.591 -0.304 1.00 0.00 C ATOM 51 C ARG A 5 -1.721 1.094 -0.217 1.00 0.00 C ATOM 52 O ARG A 5 -2.028 0.440 0.763 1.00 0.00 O ATOM 53 CB ARG A 5 -3.074 2.876 -1.368 1.00 0.00 C ATOM 54 CG ARG A 5 -4.287 3.540 -0.716 1.00 0.00 C ATOM 55 CD ARG A 5 -4.496 4.930 -1.322 1.00 0.00 C ATOM 56 NE ARG A 5 -4.297 5.876 -0.189 1.00 0.00 N ATOM 57 CZ ARG A 5 -3.691 7.015 -0.389 1.00 0.00 C ATOM 58 NH1 ARG A 5 -2.388 7.059 -0.449 1.00 0.00 N ATOM 59 NH2 ARG A 5 -4.389 8.109 -0.530 1.00 0.00 N ATOM 60 H ARG A 5 -0.807 3.807 -1.617 1.00 0.00 H ATOM 61 HA ARG A 5 -2.330 2.977 0.653 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.662 3.535 -2.119 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.378 1.948 -1.830 1.00 0.00 H ATOM 64 HG2 ARG A 5 -5.166 2.935 -0.890 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.119 3.635 0.346 1.00 0.00 H ATOM 66 HD2 ARG A 5 -3.767 5.113 -2.099 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.497 5.026 -1.712 1.00 0.00 H ATOM 68 HE ARG A 5 -4.622 5.644 0.706 1.00 0.00 H ATOM 69 HH11 ARG A 5 -1.854 6.220 -0.341 1.00 0.00 H ATOM 70 HH12 ARG A 5 -1.923 7.931 -0.602 1.00 0.00 H ATOM 71 HH21 ARG A 5 -5.386 8.075 -0.486 1.00 0.00 H ATOM 72 HH22 ARG A 5 -3.924 8.982 -0.682 1.00 0.00 H ATOM 73 N GLN A 6 -1.110 0.549 -1.234 1.00 0.00 N ATOM 74 CA GLN A 6 -0.777 -0.901 -1.213 1.00 0.00 C ATOM 75 C GLN A 6 0.125 -1.202 -0.017 1.00 0.00 C ATOM 76 O GLN A 6 -0.111 -2.130 0.733 1.00 0.00 O ATOM 77 CB GLN A 6 -0.033 -1.157 -2.523 1.00 0.00 C ATOM 78 CG GLN A 6 0.315 -2.643 -2.628 1.00 0.00 C ATOM 79 CD GLN A 6 -0.947 -3.439 -2.966 1.00 0.00 C ATOM 80 OE1 GLN A 6 -2.049 -2.955 -2.788 1.00 0.00 O ATOM 81 NE2 GLN A 6 -0.835 -4.645 -3.447 1.00 0.00 N ATOM 82 H GLN A 6 -0.862 1.098 -2.007 1.00 0.00 H ATOM 83 HA GLN A 6 -1.675 -1.496 -1.173 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.660 -0.874 -3.356 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.876 -0.575 -2.542 1.00 0.00 H ATOM 86 HG2 GLN A 6 1.052 -2.787 -3.405 1.00 0.00 H ATOM 87 HG3 GLN A 6 0.713 -2.988 -1.685 1.00 0.00 H ATOM 88 HE21 GLN A 6 0.052 -5.035 -3.588 1.00 0.00 H ATOM 89 HE22 GLN A 6 -1.638 -5.162 -3.666 1.00 0.00 H ATOM 90 N LEU A 7 1.156 -0.422 0.172 1.00 0.00 N ATOM 91 CA LEU A 7 2.064 -0.669 1.327 1.00 0.00 C ATOM 92 C LEU A 7 1.260 -0.704 2.627 1.00 0.00 C ATOM 93 O LEU A 7 1.451 -1.566 3.464 1.00 0.00 O ATOM 94 CB LEU A 7 3.043 0.505 1.325 1.00 0.00 C ATOM 95 CG LEU A 7 4.475 -0.027 1.270 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.390 1.028 0.646 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.954 -0.343 2.689 1.00 0.00 C ATOM 98 H LEU A 7 1.331 0.325 -0.442 1.00 0.00 H ATOM 99 HA LEU A 7 2.596 -1.596 1.192 1.00 0.00 H ATOM 100 HB2 LEU A 7 2.856 1.128 0.464 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.912 1.086 2.225 1.00 0.00 H ATOM 102 HG LEU A 7 4.502 -0.926 0.671 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.599 1.798 1.373 1.00 0.00 H ATOM 104 HD12 LEU A 7 4.902 1.464 -0.212 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.316 0.564 0.336 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.805 0.277 2.929 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.237 -1.383 2.751 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.156 -0.144 3.390 1.00 0.00 H ATOM 109 N GLU A 8 0.349 0.215 2.800 1.00 0.00 N ATOM 110 CA GLU A 8 -0.471 0.215 4.041 1.00 0.00 C ATOM 111 C GLU A 8 -1.341 -1.037 4.060 1.00 0.00 C ATOM 112 O GLU A 8 -1.701 -1.546 5.102 1.00 0.00 O ATOM 113 CB GLU A 8 -1.335 1.473 3.957 1.00 0.00 C ATOM 114 CG GLU A 8 -2.147 1.618 5.246 1.00 0.00 C ATOM 115 CD GLU A 8 -3.641 1.566 4.919 1.00 0.00 C ATOM 116 OE1 GLU A 8 -3.976 1.101 3.842 1.00 0.00 O ATOM 117 OE2 GLU A 8 -4.425 1.992 5.753 1.00 0.00 O ATOM 118 H GLU A 8 0.198 0.893 2.111 1.00 0.00 H ATOM 119 HA GLU A 8 0.161 0.250 4.914 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.700 2.338 3.831 1.00 0.00 H ATOM 121 HB3 GLU A 8 -2.009 1.393 3.117 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.898 0.811 5.921 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.915 2.563 5.714 1.00 0.00 H ATOM 124 N GLU A 9 -1.666 -1.547 2.904 1.00 0.00 N ATOM 125 CA GLU A 9 -2.497 -2.780 2.845 1.00 0.00 C ATOM 126 C GLU A 9 -1.583 -4.006 2.836 1.00 0.00 C ATOM 127 O GLU A 9 -2.023 -5.128 2.991 1.00 0.00 O ATOM 128 CB GLU A 9 -3.282 -2.680 1.536 1.00 0.00 C ATOM 129 CG GLU A 9 -4.284 -1.528 1.630 1.00 0.00 C ATOM 130 CD GLU A 9 -5.394 -1.892 2.618 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.101 -1.991 3.798 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.519 -2.066 2.178 1.00 0.00 O ATOM 133 H GLU A 9 -1.347 -1.123 2.074 1.00 0.00 H ATOM 134 HA GLU A 9 -3.173 -2.821 3.683 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.598 -2.498 0.720 1.00 0.00 H ATOM 136 HB3 GLU A 9 -3.814 -3.603 1.363 1.00 0.00 H ATOM 137 HG2 GLU A 9 -3.777 -0.636 1.969 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.716 -1.348 0.657 1.00 0.00 H ATOM 139 N PHE A 10 -0.306 -3.794 2.662 1.00 0.00 N ATOM 140 CA PHE A 10 0.650 -4.933 2.649 1.00 0.00 C ATOM 141 C PHE A 10 1.325 -5.057 4.018 1.00 0.00 C ATOM 142 O PHE A 10 1.928 -6.064 4.335 1.00 0.00 O ATOM 143 CB PHE A 10 1.672 -4.572 1.567 1.00 0.00 C ATOM 144 CG PHE A 10 2.915 -5.413 1.736 1.00 0.00 C ATOM 145 CD1 PHE A 10 3.008 -6.658 1.101 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.973 -4.946 2.524 1.00 0.00 C ATOM 147 CE1 PHE A 10 4.163 -7.435 1.256 1.00 0.00 C ATOM 148 CE2 PHE A 10 5.127 -5.723 2.678 1.00 0.00 C ATOM 149 CZ PHE A 10 5.221 -6.968 2.043 1.00 0.00 C ATOM 150 H PHE A 10 0.025 -2.879 2.545 1.00 0.00 H ATOM 151 HA PHE A 10 0.145 -5.849 2.390 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.243 -4.758 0.594 1.00 0.00 H ATOM 153 HB3 PHE A 10 1.931 -3.527 1.652 1.00 0.00 H ATOM 154 HD1 PHE A 10 2.192 -7.017 0.493 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.898 -3.986 3.013 1.00 0.00 H ATOM 156 HE1 PHE A 10 4.237 -8.395 0.767 1.00 0.00 H ATOM 157 HE2 PHE A 10 5.943 -5.363 3.285 1.00 0.00 H ATOM 158 HZ PHE A 10 6.112 -7.568 2.162 1.00 0.00 H ATOM 159 N LEU A 11 1.223 -4.041 4.834 1.00 0.00 N ATOM 160 CA LEU A 11 1.856 -4.106 6.185 1.00 0.00 C ATOM 161 C LEU A 11 0.847 -3.706 7.264 1.00 0.00 C ATOM 162 O LEU A 11 0.276 -2.634 7.219 1.00 0.00 O ATOM 163 CB LEU A 11 3.011 -3.105 6.131 1.00 0.00 C ATOM 164 CG LEU A 11 4.303 -3.838 5.768 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.409 -2.819 5.489 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.722 -4.739 6.933 1.00 0.00 C ATOM 167 H LEU A 11 0.730 -3.237 4.561 1.00 0.00 H ATOM 168 HA LEU A 11 2.238 -5.096 6.374 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.801 -2.352 5.385 1.00 0.00 H ATOM 170 HB3 LEU A 11 3.126 -2.634 7.096 1.00 0.00 H ATOM 171 HG LEU A 11 4.138 -4.440 4.886 1.00 0.00 H ATOM 172 HD11 LEU A 11 5.355 -2.504 4.458 1.00 0.00 H ATOM 173 HD12 LEU A 11 6.370 -3.272 5.678 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.280 -1.963 6.136 1.00 0.00 H ATOM 175 HD21 LEU A 11 5.527 -5.386 6.615 1.00 0.00 H ATOM 176 HD22 LEU A 11 3.880 -5.338 7.245 1.00 0.00 H ATOM 177 HD23 LEU A 11 5.055 -4.128 7.758 1.00 0.00 H HETATM 178 N NH2 A 12 0.600 -4.532 8.244 1.00 0.00 N HETATM 179 HN1 NH2 A 12 1.059 -5.397 8.284 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.043 -4.288 8.942 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 46 HETATM 1 C ACE A 1 -0.979 5.557 -3.892 1.00 0.00 C HETATM 2 O ACE A 1 -1.510 4.983 -2.962 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.561 7.025 -3.784 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.118 7.343 -4.716 1.00 0.00 H HETATM 5 H2 ACE A 1 0.158 7.136 -2.986 1.00 0.00 H HETATM 6 H3 ACE A 1 -1.430 7.632 -3.572 1.00 0.00 H ATOM 7 N LEU A 2 -0.739 4.941 -5.017 1.00 0.00 N ATOM 8 CA LEU A 2 -1.122 3.513 -5.175 1.00 0.00 C ATOM 9 C LEU A 2 -0.092 2.624 -4.484 1.00 0.00 C ATOM 10 O LEU A 2 -0.431 1.758 -3.704 1.00 0.00 O ATOM 11 CB LEU A 2 -1.135 3.268 -6.685 1.00 0.00 C ATOM 12 CG LEU A 2 -1.545 1.821 -6.976 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.712 1.415 -6.070 1.00 0.00 C ATOM 14 CD2 LEU A 2 -1.979 1.708 -8.439 1.00 0.00 C ATOM 15 H LEU A 2 -0.303 5.416 -5.754 1.00 0.00 H ATOM 16 HA LEU A 2 -2.102 3.340 -4.763 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.841 3.940 -7.150 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.149 3.449 -7.087 1.00 0.00 H ATOM 19 HG LEU A 2 -0.705 1.164 -6.796 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.371 2.260 -5.934 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.330 1.100 -5.111 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.257 0.601 -6.526 1.00 0.00 H ATOM 23 HD21 LEU A 2 -2.555 0.805 -8.573 1.00 0.00 H ATOM 24 HD22 LEU A 2 -1.105 1.675 -9.072 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.583 2.563 -8.701 1.00 0.00 H ATOM 26 N VAL A 3 1.165 2.841 -4.747 1.00 0.00 N ATOM 27 CA VAL A 3 2.204 2.010 -4.077 1.00 0.00 C ATOM 28 C VAL A 3 2.234 2.369 -2.592 1.00 0.00 C ATOM 29 O VAL A 3 2.649 1.587 -1.755 1.00 0.00 O ATOM 30 CB VAL A 3 3.527 2.370 -4.757 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.547 1.796 -6.176 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.675 3.893 -4.822 1.00 0.00 C ATOM 33 H VAL A 3 1.424 3.557 -5.368 1.00 0.00 H ATOM 34 HA VAL A 3 1.991 0.961 -4.208 1.00 0.00 H ATOM 35 HB VAL A 3 4.346 1.952 -4.190 1.00 0.00 H ATOM 36 HG11 VAL A 3 3.936 2.536 -6.860 1.00 0.00 H ATOM 37 HG12 VAL A 3 2.543 1.529 -6.470 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.174 0.916 -6.200 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.314 4.250 -5.775 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.716 4.157 -4.709 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.101 4.345 -4.025 1.00 0.00 H ATOM 42 N GLY A 4 1.765 3.544 -2.258 1.00 0.00 N ATOM 43 CA GLY A 4 1.731 3.959 -0.830 1.00 0.00 C ATOM 44 C GLY A 4 0.584 3.218 -0.152 1.00 0.00 C ATOM 45 O GLY A 4 0.755 2.587 0.872 1.00 0.00 O ATOM 46 H GLY A 4 1.412 4.144 -2.949 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.668 3.704 -0.353 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.564 5.023 -0.762 1.00 0.00 H ATOM 49 N ARG A 5 -0.583 3.265 -0.736 1.00 0.00 N ATOM 50 CA ARG A 5 -1.732 2.533 -0.140 1.00 0.00 C ATOM 51 C ARG A 5 -1.427 1.039 -0.188 1.00 0.00 C ATOM 52 O ARG A 5 -1.786 0.288 0.697 1.00 0.00 O ATOM 53 CB ARG A 5 -2.939 2.869 -1.019 1.00 0.00 C ATOM 54 CG ARG A 5 -4.222 2.569 -0.243 1.00 0.00 C ATOM 55 CD ARG A 5 -4.518 3.723 0.715 1.00 0.00 C ATOM 56 NE ARG A 5 -5.789 4.315 0.218 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.202 5.458 0.687 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.461 5.587 1.958 1.00 0.00 N ATOM 59 NH2 ARG A 5 -6.351 6.475 -0.117 1.00 0.00 N ATOM 60 H ARG A 5 -0.696 3.762 -1.576 1.00 0.00 H ATOM 61 HA ARG A 5 -1.904 2.855 0.875 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.913 3.917 -1.284 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.913 2.269 -1.914 1.00 0.00 H ATOM 64 HG2 ARG A 5 -5.044 2.454 -0.934 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.095 1.658 0.323 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.642 3.353 1.725 1.00 0.00 H ATOM 67 HD3 ARG A 5 -3.729 4.457 0.677 1.00 0.00 H ATOM 68 HE ARG A 5 -6.315 3.844 -0.462 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.345 4.808 2.573 1.00 0.00 H ATOM 70 HH12 ARG A 5 -6.779 6.465 2.317 1.00 0.00 H ATOM 71 HH21 ARG A 5 -6.151 6.375 -1.092 1.00 0.00 H ATOM 72 HH22 ARG A 5 -6.668 7.351 0.241 1.00 0.00 H ATOM 73 N GLN A 6 -0.739 0.608 -1.211 1.00 0.00 N ATOM 74 CA GLN A 6 -0.380 -0.831 -1.313 1.00 0.00 C ATOM 75 C GLN A 6 0.458 -1.214 -0.097 1.00 0.00 C ATOM 76 O GLN A 6 0.115 -2.108 0.651 1.00 0.00 O ATOM 77 CB GLN A 6 0.447 -0.950 -2.596 1.00 0.00 C ATOM 78 CG GLN A 6 0.426 -2.400 -3.084 1.00 0.00 C ATOM 79 CD GLN A 6 1.750 -3.080 -2.726 1.00 0.00 C ATOM 80 OE1 GLN A 6 2.268 -2.891 -1.642 1.00 0.00 O ATOM 81 NE2 GLN A 6 2.322 -3.869 -3.595 1.00 0.00 N ATOM 82 H GLN A 6 -0.446 1.237 -1.902 1.00 0.00 H ATOM 83 HA GLN A 6 -1.266 -1.444 -1.377 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.026 -0.307 -3.356 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.466 -0.654 -2.394 1.00 0.00 H ATOM 86 HG2 GLN A 6 -0.390 -2.929 -2.613 1.00 0.00 H ATOM 87 HG3 GLN A 6 0.295 -2.415 -4.157 1.00 0.00 H ATOM 88 HE21 GLN A 6 1.905 -4.022 -4.468 1.00 0.00 H ATOM 89 HE22 GLN A 6 3.170 -4.308 -3.374 1.00 0.00 H ATOM 90 N LEU A 7 1.550 -0.530 0.117 1.00 0.00 N ATOM 91 CA LEU A 7 2.394 -0.847 1.301 1.00 0.00 C ATOM 92 C LEU A 7 1.514 -0.858 2.548 1.00 0.00 C ATOM 93 O LEU A 7 1.612 -1.730 3.390 1.00 0.00 O ATOM 94 CB LEU A 7 3.429 0.280 1.375 1.00 0.00 C ATOM 95 CG LEU A 7 4.743 -0.264 1.941 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.406 -1.185 0.914 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.682 0.902 2.254 1.00 0.00 C ATOM 98 H LEU A 7 1.805 0.199 -0.491 1.00 0.00 H ATOM 99 HA LEU A 7 2.881 -1.798 1.173 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.600 0.679 0.385 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.060 1.064 2.020 1.00 0.00 H ATOM 102 HG LEU A 7 4.543 -0.820 2.846 1.00 0.00 H ATOM 103 HD11 LEU A 7 6.030 -0.597 0.256 1.00 0.00 H ATOM 104 HD12 LEU A 7 4.644 -1.687 0.335 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.012 -1.917 1.426 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.212 1.831 1.968 1.00 0.00 H ATOM 107 HD22 LEU A 7 6.604 0.780 1.703 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.897 0.918 3.313 1.00 0.00 H ATOM 109 N GLU A 8 0.634 0.101 2.659 1.00 0.00 N ATOM 110 CA GLU A 8 -0.275 0.144 3.834 1.00 0.00 C ATOM 111 C GLU A 8 -1.249 -1.028 3.759 1.00 0.00 C ATOM 112 O GLU A 8 -1.746 -1.507 4.760 1.00 0.00 O ATOM 113 CB GLU A 8 -1.026 1.469 3.705 1.00 0.00 C ATOM 114 CG GLU A 8 -1.859 1.708 4.963 1.00 0.00 C ATOM 115 CD GLU A 8 -3.305 2.009 4.566 1.00 0.00 C ATOM 116 OE1 GLU A 8 -4.019 1.071 4.251 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.673 3.171 4.582 1.00 0.00 O ATOM 118 H GLU A 8 0.563 0.784 1.960 1.00 0.00 H ATOM 119 HA GLU A 8 0.285 0.119 4.755 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.317 2.275 3.581 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.680 1.429 2.846 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.832 0.827 5.588 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.456 2.550 5.506 1.00 0.00 H ATOM 124 N GLU A 9 -1.514 -1.501 2.573 1.00 0.00 N ATOM 125 CA GLU A 9 -2.444 -2.655 2.425 1.00 0.00 C ATOM 126 C GLU A 9 -1.687 -3.944 2.732 1.00 0.00 C ATOM 127 O GLU A 9 -2.265 -4.952 3.090 1.00 0.00 O ATOM 128 CB GLU A 9 -2.901 -2.627 0.966 1.00 0.00 C ATOM 129 CG GLU A 9 -4.042 -1.619 0.809 1.00 0.00 C ATOM 130 CD GLU A 9 -5.120 -2.210 -0.101 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.898 -3.015 0.384 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.150 -1.849 -1.265 1.00 0.00 O ATOM 133 H GLU A 9 -1.089 -1.107 1.780 1.00 0.00 H ATOM 134 HA GLU A 9 -3.290 -2.546 3.084 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.074 -2.338 0.333 1.00 0.00 H ATOM 136 HB3 GLU A 9 -3.249 -3.607 0.679 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.466 -1.400 1.778 1.00 0.00 H ATOM 138 HG3 GLU A 9 -3.661 -0.712 0.367 1.00 0.00 H ATOM 139 N PHE A 10 -0.391 -3.909 2.607 1.00 0.00 N ATOM 140 CA PHE A 10 0.420 -5.119 2.904 1.00 0.00 C ATOM 141 C PHE A 10 0.979 -5.024 4.325 1.00 0.00 C ATOM 142 O PHE A 10 1.510 -5.976 4.860 1.00 0.00 O ATOM 143 CB PHE A 10 1.550 -5.104 1.875 1.00 0.00 C ATOM 144 CG PHE A 10 1.289 -6.159 0.826 1.00 0.00 C ATOM 145 CD1 PHE A 10 -0.026 -6.467 0.449 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.362 -6.832 0.233 1.00 0.00 C ATOM 147 CE1 PHE A 10 -0.263 -7.450 -0.519 1.00 0.00 C ATOM 148 CE2 PHE A 10 2.123 -7.816 -0.736 1.00 0.00 C ATOM 149 CZ PHE A 10 0.811 -8.124 -1.113 1.00 0.00 C ATOM 150 H PHE A 10 0.050 -3.079 2.328 1.00 0.00 H ATOM 151 HA PHE A 10 -0.174 -6.011 2.788 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.598 -4.131 1.406 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.487 -5.313 2.368 1.00 0.00 H ATOM 154 HD1 PHE A 10 -0.856 -5.947 0.905 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.375 -6.595 0.523 1.00 0.00 H ATOM 156 HE1 PHE A 10 -1.277 -7.690 -0.810 1.00 0.00 H ATOM 157 HE2 PHE A 10 2.952 -8.335 -1.193 1.00 0.00 H ATOM 158 HZ PHE A 10 0.627 -8.883 -1.859 1.00 0.00 H ATOM 159 N LEU A 11 0.859 -3.876 4.939 1.00 0.00 N ATOM 160 CA LEU A 11 1.378 -3.713 6.328 1.00 0.00 C ATOM 161 C LEU A 11 0.539 -4.545 7.303 1.00 0.00 C ATOM 162 O LEU A 11 -0.193 -4.008 8.111 1.00 0.00 O ATOM 163 CB LEU A 11 1.234 -2.222 6.637 1.00 0.00 C ATOM 164 CG LEU A 11 2.581 -1.667 7.106 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.447 -1.325 5.892 1.00 0.00 C ATOM 166 CD2 LEU A 11 2.346 -0.403 7.935 1.00 0.00 C ATOM 167 H LEU A 11 0.426 -3.120 4.487 1.00 0.00 H ATOM 168 HA LEU A 11 2.415 -4.002 6.379 1.00 0.00 H ATOM 169 HB2 LEU A 11 0.917 -1.696 5.747 1.00 0.00 H ATOM 170 HB3 LEU A 11 0.501 -2.084 7.417 1.00 0.00 H ATOM 171 HG LEU A 11 3.083 -2.408 7.710 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.326 -0.788 6.218 1.00 0.00 H ATOM 173 HD12 LEU A 11 2.883 -0.709 5.208 1.00 0.00 H ATOM 174 HD13 LEU A 11 3.746 -2.235 5.395 1.00 0.00 H ATOM 175 HD21 LEU A 11 1.291 -0.172 7.950 1.00 0.00 H ATOM 176 HD22 LEU A 11 2.889 0.422 7.498 1.00 0.00 H ATOM 177 HD23 LEU A 11 2.692 -0.565 8.946 1.00 0.00 H HETATM 178 N NH2 A 12 0.621 -5.846 7.266 1.00 0.00 N HETATM 179 HN1 NH2 A 12 1.209 -6.283 6.616 1.00 0.00 H HETATM 180 HN2 NH2 A 12 0.093 -6.388 7.890 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 47 HETATM 1 C ACE A 1 -0.773 5.825 -3.658 1.00 0.00 C HETATM 2 O ACE A 1 -1.317 5.220 -2.754 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.215 7.235 -3.445 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.650 7.907 -4.169 1.00 0.00 H HETATM 5 H2 ACE A 1 0.858 7.221 -3.564 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.462 7.572 -2.448 1.00 0.00 H ATOM 7 N LEU A 2 -0.636 5.291 -4.842 1.00 0.00 N ATOM 8 CA LEU A 2 -1.156 3.918 -5.102 1.00 0.00 C ATOM 9 C LEU A 2 -0.188 2.890 -4.527 1.00 0.00 C ATOM 10 O LEU A 2 -0.570 2.011 -3.782 1.00 0.00 O ATOM 11 CB LEU A 2 -1.236 3.799 -6.625 1.00 0.00 C ATOM 12 CG LEU A 2 -2.328 2.796 -7.012 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.636 3.157 -6.306 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.541 2.843 -8.528 1.00 0.00 C ATOM 15 H LEU A 2 -0.186 5.788 -5.557 1.00 0.00 H ATOM 16 HA LEU A 2 -2.131 3.800 -4.664 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.467 4.764 -7.051 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.285 3.455 -7.008 1.00 0.00 H ATOM 19 HG LEU A 2 -2.023 1.801 -6.721 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.643 2.720 -5.318 1.00 0.00 H ATOM 21 HD12 LEU A 2 -4.470 2.774 -6.875 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.718 4.231 -6.225 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.402 3.455 -8.751 1.00 0.00 H ATOM 24 HD22 LEU A 2 -2.704 1.843 -8.900 1.00 0.00 H ATOM 25 HD23 LEU A 2 -1.668 3.266 -9.001 1.00 0.00 H ATOM 26 N VAL A 3 1.070 3.007 -4.848 1.00 0.00 N ATOM 27 CA VAL A 3 2.058 2.046 -4.291 1.00 0.00 C ATOM 28 C VAL A 3 2.093 2.223 -2.776 1.00 0.00 C ATOM 29 O VAL A 3 2.366 1.301 -2.027 1.00 0.00 O ATOM 30 CB VAL A 3 3.397 2.430 -4.922 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.512 1.572 -4.323 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.333 2.196 -6.433 1.00 0.00 C ATOM 33 H VAL A 3 1.361 3.737 -5.434 1.00 0.00 H ATOM 34 HA VAL A 3 1.794 1.033 -4.554 1.00 0.00 H ATOM 35 HB VAL A 3 3.601 3.474 -4.725 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.184 1.257 -5.106 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.081 0.702 -3.848 1.00 0.00 H ATOM 38 HG13 VAL A 3 5.056 2.149 -3.590 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.752 1.228 -6.665 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.899 2.964 -6.940 1.00 0.00 H ATOM 41 HG23 VAL A 3 2.305 2.232 -6.759 1.00 0.00 H ATOM 42 N GLY A 4 1.779 3.407 -2.323 1.00 0.00 N ATOM 43 CA GLY A 4 1.752 3.664 -0.860 1.00 0.00 C ATOM 44 C GLY A 4 0.545 2.936 -0.286 1.00 0.00 C ATOM 45 O GLY A 4 0.629 2.259 0.720 1.00 0.00 O ATOM 46 H GLY A 4 1.534 4.120 -2.951 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.661 3.291 -0.407 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.657 4.723 -0.674 1.00 0.00 H ATOM 49 N ARG A 5 -0.577 3.049 -0.943 1.00 0.00 N ATOM 50 CA ARG A 5 -1.793 2.340 -0.467 1.00 0.00 C ATOM 51 C ARG A 5 -1.508 0.838 -0.462 1.00 0.00 C ATOM 52 O ARG A 5 -1.955 0.109 0.402 1.00 0.00 O ATOM 53 CB ARG A 5 -2.874 2.691 -1.494 1.00 0.00 C ATOM 54 CG ARG A 5 -4.079 1.758 -1.335 1.00 0.00 C ATOM 55 CD ARG A 5 -4.714 1.517 -2.705 1.00 0.00 C ATOM 56 NE ARG A 5 -6.145 1.225 -2.420 1.00 0.00 N ATOM 57 CZ ARG A 5 -7.077 1.732 -3.178 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.366 1.172 -4.318 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.716 2.802 -2.796 1.00 0.00 N ATOM 60 H ARG A 5 -0.612 3.584 -1.765 1.00 0.00 H ATOM 61 HA ARG A 5 -2.079 2.682 0.516 1.00 0.00 H ATOM 62 HB2 ARG A 5 -3.191 3.713 -1.344 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.469 2.583 -2.489 1.00 0.00 H ATOM 64 HG2 ARG A 5 -3.760 0.817 -0.915 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.805 2.217 -0.681 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.624 2.402 -3.321 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.254 0.671 -3.191 1.00 0.00 H ATOM 68 HE ARG A 5 -6.387 0.652 -1.662 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.874 0.352 -4.612 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.080 1.562 -4.901 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.493 3.233 -1.923 1.00 0.00 H ATOM 72 HH22 ARG A 5 -8.432 3.191 -3.377 1.00 0.00 H ATOM 73 N GLN A 6 -0.747 0.378 -1.418 1.00 0.00 N ATOM 74 CA GLN A 6 -0.408 -1.069 -1.470 1.00 0.00 C ATOM 75 C GLN A 6 0.399 -1.436 -0.226 1.00 0.00 C ATOM 76 O GLN A 6 0.093 -2.386 0.467 1.00 0.00 O ATOM 77 CB GLN A 6 0.441 -1.235 -2.732 1.00 0.00 C ATOM 78 CG GLN A 6 -0.465 -1.567 -3.919 1.00 0.00 C ATOM 79 CD GLN A 6 -0.407 -3.070 -4.199 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.592 -3.575 -4.671 1.00 0.00 O ATOM 81 NE2 GLN A 6 -1.443 -3.814 -3.921 1.00 0.00 N ATOM 82 H GLN A 6 -0.387 0.990 -2.095 1.00 0.00 H ATOM 83 HA GLN A 6 -1.300 -1.669 -1.538 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.973 -0.316 -2.930 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.148 -2.037 -2.587 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.482 -1.282 -3.687 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.128 -1.029 -4.791 1.00 0.00 H ATOM 88 HE21 GLN A 6 -2.249 -3.408 -3.538 1.00 0.00 H ATOM 89 HE22 GLN A 6 -1.415 -4.778 -4.094 1.00 0.00 H ATOM 90 N LEU A 7 1.421 -0.678 0.072 1.00 0.00 N ATOM 91 CA LEU A 7 2.232 -0.978 1.285 1.00 0.00 C ATOM 92 C LEU A 7 1.338 -0.892 2.522 1.00 0.00 C ATOM 93 O LEU A 7 1.476 -1.657 3.457 1.00 0.00 O ATOM 94 CB LEU A 7 3.316 0.100 1.323 1.00 0.00 C ATOM 95 CG LEU A 7 4.591 -0.478 1.938 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.811 0.060 1.188 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.677 -0.066 3.410 1.00 0.00 C ATOM 98 H LEU A 7 1.646 0.092 -0.496 1.00 0.00 H ATOM 99 HA LEU A 7 2.678 -1.955 1.210 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.521 0.439 0.317 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.977 0.932 1.920 1.00 0.00 H ATOM 102 HG LEU A 7 4.571 -1.556 1.864 1.00 0.00 H ATOM 103 HD11 LEU A 7 6.367 -0.764 0.764 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.444 0.605 1.873 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.485 0.719 0.397 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.385 0.967 3.511 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.690 -0.191 3.760 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.014 -0.687 3.996 1.00 0.00 H ATOM 109 N GLU A 8 0.408 0.027 2.527 1.00 0.00 N ATOM 110 CA GLU A 8 -0.508 0.148 3.694 1.00 0.00 C ATOM 111 C GLU A 8 -1.404 -1.086 3.747 1.00 0.00 C ATOM 112 O GLU A 8 -1.844 -1.509 4.798 1.00 0.00 O ATOM 113 CB GLU A 8 -1.329 1.411 3.431 1.00 0.00 C ATOM 114 CG GLU A 8 -1.842 1.976 4.757 1.00 0.00 C ATOM 115 CD GLU A 8 -3.138 1.262 5.152 1.00 0.00 C ATOM 116 OE1 GLU A 8 -3.545 0.372 4.424 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.700 1.618 6.174 1.00 0.00 O ATOM 118 H GLU A 8 0.305 0.625 1.758 1.00 0.00 H ATOM 119 HA GLU A 8 0.054 0.249 4.608 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.707 2.150 2.942 1.00 0.00 H ATOM 121 HB3 GLU A 8 -2.167 1.171 2.795 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.099 1.823 5.526 1.00 0.00 H ATOM 123 HG3 GLU A 8 -2.036 3.032 4.649 1.00 0.00 H ATOM 124 N GLU A 9 -1.653 -1.682 2.613 1.00 0.00 N ATOM 125 CA GLU A 9 -2.495 -2.909 2.583 1.00 0.00 C ATOM 126 C GLU A 9 -1.632 -4.105 2.974 1.00 0.00 C ATOM 127 O GLU A 9 -2.116 -5.120 3.434 1.00 0.00 O ATOM 128 CB GLU A 9 -2.965 -3.033 1.133 1.00 0.00 C ATOM 129 CG GLU A 9 -3.462 -4.458 0.876 1.00 0.00 C ATOM 130 CD GLU A 9 -4.850 -4.411 0.232 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.366 -3.320 0.058 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.373 -5.469 -0.079 1.00 0.00 O ATOM 133 H GLU A 9 -1.268 -1.331 1.782 1.00 0.00 H ATOM 134 HA GLU A 9 -3.341 -2.811 3.246 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.764 -2.331 0.953 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.140 -2.818 0.469 1.00 0.00 H ATOM 137 HG2 GLU A 9 -2.775 -4.965 0.214 1.00 0.00 H ATOM 138 HG3 GLU A 9 -3.521 -4.994 1.812 1.00 0.00 H ATOM 139 N PHE A 10 -0.345 -3.980 2.798 1.00 0.00 N ATOM 140 CA PHE A 10 0.574 -5.091 3.162 1.00 0.00 C ATOM 141 C PHE A 10 1.219 -4.801 4.521 1.00 0.00 C ATOM 142 O PHE A 10 1.923 -5.622 5.074 1.00 0.00 O ATOM 143 CB PHE A 10 1.631 -5.110 2.054 1.00 0.00 C ATOM 144 CG PHE A 10 2.293 -6.465 2.012 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.725 -7.498 1.257 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.473 -6.690 2.730 1.00 0.00 C ATOM 147 CE1 PHE A 10 2.338 -8.756 1.219 1.00 0.00 C ATOM 148 CE2 PHE A 10 4.086 -7.947 2.692 1.00 0.00 C ATOM 149 CZ PHE A 10 3.519 -8.981 1.937 1.00 0.00 C ATOM 150 H PHE A 10 0.018 -3.145 2.433 1.00 0.00 H ATOM 151 HA PHE A 10 0.043 -6.029 3.185 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.160 -4.910 1.103 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.375 -4.353 2.253 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.814 -7.324 0.702 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.909 -5.892 3.313 1.00 0.00 H ATOM 156 HE1 PHE A 10 1.900 -9.552 0.636 1.00 0.00 H ATOM 157 HE2 PHE A 10 4.997 -8.121 3.247 1.00 0.00 H ATOM 158 HZ PHE A 10 3.992 -9.951 1.907 1.00 0.00 H ATOM 159 N LEU A 11 0.979 -3.636 5.061 1.00 0.00 N ATOM 160 CA LEU A 11 1.571 -3.284 6.384 1.00 0.00 C ATOM 161 C LEU A 11 0.512 -2.625 7.273 1.00 0.00 C ATOM 162 O LEU A 11 0.779 -1.646 7.940 1.00 0.00 O ATOM 163 CB LEU A 11 2.693 -2.292 6.065 1.00 0.00 C ATOM 164 CG LEU A 11 3.952 -2.673 6.844 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.625 -2.751 8.336 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.454 -4.035 6.362 1.00 0.00 C ATOM 167 H LEU A 11 0.407 -2.990 4.597 1.00 0.00 H ATOM 168 HA LEU A 11 1.977 -4.160 6.863 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.903 -2.316 5.005 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.384 -1.297 6.348 1.00 0.00 H ATOM 171 HG LEU A 11 4.716 -1.926 6.682 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.489 -3.783 8.620 1.00 0.00 H ATOM 173 HD12 LEU A 11 2.719 -2.200 8.535 1.00 0.00 H ATOM 174 HD13 LEU A 11 4.437 -2.325 8.906 1.00 0.00 H ATOM 175 HD21 LEU A 11 3.871 -4.818 6.823 1.00 0.00 H ATOM 176 HD22 LEU A 11 5.492 -4.153 6.632 1.00 0.00 H ATOM 177 HD23 LEU A 11 4.352 -4.096 5.288 1.00 0.00 H HETATM 178 N NH2 A 12 -0.693 -3.127 7.306 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.911 -3.917 6.769 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -1.380 -2.712 7.869 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 48 HETATM 1 C ACE A 1 -0.624 5.641 -4.022 1.00 0.00 C HETATM 2 O ACE A 1 -1.170 5.082 -3.088 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.167 7.098 -3.920 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.842 7.642 -3.277 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.169 7.543 -4.904 1.00 0.00 H HETATM 6 H3 ACE A 1 0.831 7.136 -3.510 1.00 0.00 H ATOM 7 N LEU A 2 -0.400 5.019 -5.146 1.00 0.00 N ATOM 8 CA LEU A 2 -0.820 3.599 -5.303 1.00 0.00 C ATOM 9 C LEU A 2 0.106 2.697 -4.494 1.00 0.00 C ATOM 10 O LEU A 2 -0.330 1.782 -3.824 1.00 0.00 O ATOM 11 CB LEU A 2 -0.683 3.306 -6.798 1.00 0.00 C ATOM 12 CG LEU A 2 -1.979 2.685 -7.320 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.430 1.568 -6.375 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.060 3.764 -7.391 1.00 0.00 C ATOM 15 H LEU A 2 0.049 5.481 -5.883 1.00 0.00 H ATOM 16 HA LEU A 2 -1.842 3.471 -4.990 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.486 4.227 -7.327 1.00 0.00 H ATOM 18 HB3 LEU A 2 0.133 2.619 -6.957 1.00 0.00 H ATOM 19 HG LEU A 2 -1.810 2.275 -8.305 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.054 0.872 -6.913 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.990 1.995 -5.556 1.00 0.00 H ATOM 22 HD13 LEU A 2 -1.563 1.051 -5.988 1.00 0.00 H ATOM 23 HD21 LEU A 2 -2.769 4.516 -8.108 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.179 4.218 -6.419 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.995 3.317 -7.697 1.00 0.00 H ATOM 26 N VAL A 3 1.381 2.958 -4.543 1.00 0.00 N ATOM 27 CA VAL A 3 2.337 2.122 -3.766 1.00 0.00 C ATOM 28 C VAL A 3 2.152 2.401 -2.273 1.00 0.00 C ATOM 29 O VAL A 3 2.473 1.585 -1.432 1.00 0.00 O ATOM 30 CB VAL A 3 3.725 2.553 -4.243 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.099 3.897 -3.614 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.753 1.494 -3.835 1.00 0.00 C ATOM 33 H VAL A 3 1.707 3.707 -5.083 1.00 0.00 H ATOM 34 HA VAL A 3 2.180 1.076 -3.976 1.00 0.00 H ATOM 35 HB VAL A 3 3.719 2.652 -5.318 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.232 3.774 -2.549 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.311 4.612 -3.798 1.00 0.00 H ATOM 38 HG13 VAL A 3 5.018 4.255 -4.053 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.376 0.514 -4.084 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.928 1.553 -2.771 1.00 0.00 H ATOM 41 HG23 VAL A 3 5.678 1.669 -4.363 1.00 0.00 H ATOM 42 N GLY A 4 1.613 3.544 -1.944 1.00 0.00 N ATOM 43 CA GLY A 4 1.382 3.875 -0.511 1.00 0.00 C ATOM 44 C GLY A 4 0.156 3.103 -0.032 1.00 0.00 C ATOM 45 O GLY A 4 0.180 2.447 0.992 1.00 0.00 O ATOM 46 H GLY A 4 1.345 4.178 -2.643 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.248 3.591 0.071 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.204 4.934 -0.406 1.00 0.00 H ATOM 49 N ARG A 5 -0.914 3.164 -0.778 1.00 0.00 N ATOM 50 CA ARG A 5 -2.141 2.418 -0.381 1.00 0.00 C ATOM 51 C ARG A 5 -1.829 0.920 -0.332 1.00 0.00 C ATOM 52 O ARG A 5 -2.165 0.236 0.615 1.00 0.00 O ATOM 53 CB ARG A 5 -3.165 2.723 -1.475 1.00 0.00 C ATOM 54 CG ARG A 5 -4.537 2.192 -1.056 1.00 0.00 C ATOM 55 CD ARG A 5 -5.133 1.369 -2.199 1.00 0.00 C ATOM 56 NE ARG A 5 -5.953 0.322 -1.533 1.00 0.00 N ATOM 57 CZ ARG A 5 -5.769 -0.937 -1.824 1.00 0.00 C ATOM 58 NH1 ARG A 5 -5.591 -1.302 -3.064 1.00 0.00 N ATOM 59 NH2 ARG A 5 -5.763 -1.829 -0.873 1.00 0.00 N ATOM 60 H ARG A 5 -0.906 3.690 -1.608 1.00 0.00 H ATOM 61 HA ARG A 5 -2.502 2.763 0.575 1.00 0.00 H ATOM 62 HB2 ARG A 5 -3.223 3.792 -1.626 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.861 2.245 -2.395 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.431 1.570 -0.179 1.00 0.00 H ATOM 65 HG3 ARG A 5 -5.191 3.022 -0.833 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.754 1.995 -2.826 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.350 0.911 -2.781 1.00 0.00 H ATOM 68 HE ARG A 5 -6.631 0.577 -0.873 1.00 0.00 H ATOM 69 HH11 ARG A 5 -5.594 -0.618 -3.793 1.00 0.00 H ATOM 70 HH12 ARG A 5 -5.452 -2.268 -3.285 1.00 0.00 H ATOM 71 HH21 ARG A 5 -5.898 -1.547 0.078 1.00 0.00 H ATOM 72 HH22 ARG A 5 -5.622 -2.794 -1.092 1.00 0.00 H ATOM 73 N GLN A 6 -1.172 0.409 -1.341 1.00 0.00 N ATOM 74 CA GLN A 6 -0.822 -1.039 -1.343 1.00 0.00 C ATOM 75 C GLN A 6 0.091 -1.344 -0.156 1.00 0.00 C ATOM 76 O GLN A 6 -0.212 -2.170 0.679 1.00 0.00 O ATOM 77 CB GLN A 6 -0.081 -1.273 -2.663 1.00 0.00 C ATOM 78 CG GLN A 6 -1.018 -1.952 -3.663 1.00 0.00 C ATOM 79 CD GLN A 6 -0.253 -2.270 -4.950 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.115 -1.378 -5.687 1.00 0.00 O ATOM 81 NE2 GLN A 6 0.002 -3.515 -5.254 1.00 0.00 N ATOM 82 H GLN A 6 -0.899 0.981 -2.089 1.00 0.00 H ATOM 83 HA GLN A 6 -1.713 -1.645 -1.304 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.251 -0.324 -3.062 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.776 -1.907 -2.486 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.398 -2.867 -3.235 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.841 -1.291 -3.891 1.00 0.00 H ATOM 88 HE21 GLN A 6 -0.297 -4.236 -4.660 1.00 0.00 H ATOM 89 HE22 GLN A 6 0.492 -3.729 -6.075 1.00 0.00 H ATOM 90 N LEU A 7 1.209 -0.672 -0.074 1.00 0.00 N ATOM 91 CA LEU A 7 2.144 -0.911 1.062 1.00 0.00 C ATOM 92 C LEU A 7 1.372 -0.907 2.381 1.00 0.00 C ATOM 93 O LEU A 7 1.453 -1.834 3.166 1.00 0.00 O ATOM 94 CB LEU A 7 3.132 0.255 1.010 1.00 0.00 C ATOM 95 CG LEU A 7 4.021 0.231 2.255 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.434 0.682 1.883 1.00 0.00 C ATOM 97 CD2 LEU A 7 3.447 1.180 3.310 1.00 0.00 C ATOM 98 H LEU A 7 1.429 -0.005 -0.757 1.00 0.00 H ATOM 99 HA LEU A 7 2.666 -1.845 0.933 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.747 0.166 0.125 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.586 1.186 0.978 1.00 0.00 H ATOM 102 HG LEU A 7 4.058 -0.773 2.652 1.00 0.00 H ATOM 103 HD11 LEU A 7 6.154 0.001 2.315 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.607 1.677 2.264 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.540 0.685 0.808 1.00 0.00 H ATOM 106 HD21 LEU A 7 3.393 0.671 4.260 1.00 0.00 H ATOM 107 HD22 LEU A 7 2.458 1.493 3.013 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.087 2.045 3.401 1.00 0.00 H ATOM 109 N GLU A 8 0.610 0.121 2.631 1.00 0.00 N ATOM 110 CA GLU A 8 -0.172 0.165 3.894 1.00 0.00 C ATOM 111 C GLU A 8 -1.151 -1.004 3.906 1.00 0.00 C ATOM 112 O GLU A 8 -1.554 -1.489 4.945 1.00 0.00 O ATOM 113 CB GLU A 8 -0.912 1.502 3.864 1.00 0.00 C ATOM 114 CG GLU A 8 0.015 2.606 4.377 1.00 0.00 C ATOM 115 CD GLU A 8 -0.635 3.305 5.572 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.836 3.165 5.735 1.00 0.00 O ATOM 117 OE2 GLU A 8 0.080 3.970 6.305 1.00 0.00 O ATOM 118 H GLU A 8 0.542 0.852 1.984 1.00 0.00 H ATOM 119 HA GLU A 8 0.484 0.118 4.747 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.212 1.724 2.850 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.786 1.444 4.495 1.00 0.00 H ATOM 122 HG2 GLU A 8 0.956 2.172 4.681 1.00 0.00 H ATOM 123 HG3 GLU A 8 0.187 3.324 3.591 1.00 0.00 H ATOM 124 N GLU A 9 -1.514 -1.475 2.747 1.00 0.00 N ATOM 125 CA GLU A 9 -2.445 -2.634 2.670 1.00 0.00 C ATOM 126 C GLU A 9 -1.651 -3.918 2.941 1.00 0.00 C ATOM 127 O GLU A 9 -2.185 -4.910 3.397 1.00 0.00 O ATOM 128 CB GLU A 9 -3.009 -2.582 1.237 1.00 0.00 C ATOM 129 CG GLU A 9 -3.041 -3.977 0.597 1.00 0.00 C ATOM 130 CD GLU A 9 -3.905 -4.913 1.441 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.943 -4.471 1.905 1.00 0.00 O ATOM 132 OE2 GLU A 9 -3.515 -6.058 1.607 1.00 0.00 O ATOM 133 H GLU A 9 -1.156 -1.076 1.924 1.00 0.00 H ATOM 134 HA GLU A 9 -3.243 -2.525 3.389 1.00 0.00 H ATOM 135 HB2 GLU A 9 -4.014 -2.185 1.269 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.391 -1.930 0.637 1.00 0.00 H ATOM 137 HG2 GLU A 9 -3.455 -3.904 -0.399 1.00 0.00 H ATOM 138 HG3 GLU A 9 -2.036 -4.370 0.540 1.00 0.00 H ATOM 139 N PHE A 10 -0.373 -3.894 2.670 1.00 0.00 N ATOM 140 CA PHE A 10 0.471 -5.099 2.920 1.00 0.00 C ATOM 141 C PHE A 10 1.268 -4.925 4.215 1.00 0.00 C ATOM 142 O PHE A 10 2.036 -5.786 4.599 1.00 0.00 O ATOM 143 CB PHE A 10 1.411 -5.183 1.717 1.00 0.00 C ATOM 144 CG PHE A 10 0.628 -5.591 0.491 1.00 0.00 C ATOM 145 CD1 PHE A 10 -0.312 -6.625 0.574 1.00 0.00 C ATOM 146 CD2 PHE A 10 0.843 -4.937 -0.728 1.00 0.00 C ATOM 147 CE1 PHE A 10 -1.037 -7.006 -0.562 1.00 0.00 C ATOM 148 CE2 PHE A 10 0.119 -5.319 -1.865 1.00 0.00 C ATOM 149 CZ PHE A 10 -0.821 -6.353 -1.781 1.00 0.00 C ATOM 150 H PHE A 10 0.035 -3.077 2.315 1.00 0.00 H ATOM 151 HA PHE A 10 -0.143 -5.984 2.971 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.868 -4.220 1.549 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.180 -5.916 1.913 1.00 0.00 H ATOM 154 HD1 PHE A 10 -0.478 -7.129 1.515 1.00 0.00 H ATOM 155 HD2 PHE A 10 1.569 -4.141 -0.793 1.00 0.00 H ATOM 156 HE1 PHE A 10 -1.762 -7.804 -0.498 1.00 0.00 H ATOM 157 HE2 PHE A 10 0.286 -4.815 -2.805 1.00 0.00 H ATOM 158 HZ PHE A 10 -1.379 -6.648 -2.658 1.00 0.00 H ATOM 159 N LEU A 11 1.098 -3.814 4.883 1.00 0.00 N ATOM 160 CA LEU A 11 1.846 -3.572 6.153 1.00 0.00 C ATOM 161 C LEU A 11 1.962 -4.865 6.967 1.00 0.00 C ATOM 162 O LEU A 11 0.994 -5.334 7.531 1.00 0.00 O ATOM 163 CB LEU A 11 1.009 -2.541 6.910 1.00 0.00 C ATOM 164 CG LEU A 11 1.925 -1.675 7.773 1.00 0.00 C ATOM 165 CD1 LEU A 11 2.049 -0.287 7.146 1.00 0.00 C ATOM 166 CD2 LEU A 11 1.331 -1.550 9.178 1.00 0.00 C ATOM 167 H LEU A 11 0.478 -3.132 4.547 1.00 0.00 H ATOM 168 HA LEU A 11 2.824 -3.168 5.943 1.00 0.00 H ATOM 169 HB2 LEU A 11 0.483 -1.915 6.202 1.00 0.00 H ATOM 170 HB3 LEU A 11 0.297 -3.049 7.541 1.00 0.00 H ATOM 171 HG LEU A 11 2.903 -2.132 7.832 1.00 0.00 H ATOM 172 HD11 LEU A 11 1.071 0.170 7.090 1.00 0.00 H ATOM 173 HD12 LEU A 11 2.461 -0.377 6.152 1.00 0.00 H ATOM 174 HD13 LEU A 11 2.699 0.327 7.751 1.00 0.00 H ATOM 175 HD21 LEU A 11 1.906 -2.151 9.869 1.00 0.00 H ATOM 176 HD22 LEU A 11 0.308 -1.895 9.169 1.00 0.00 H ATOM 177 HD23 LEU A 11 1.359 -0.517 9.492 1.00 0.00 H HETATM 178 N NH2 A 12 3.119 -5.462 7.053 1.00 0.00 N HETATM 179 HN1 NH2 A 12 3.902 -5.085 6.598 1.00 0.00 H HETATM 180 HN2 NH2 A 12 3.206 -6.288 7.574 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 49 HETATM 1 C ACE A 1 -0.982 5.562 -3.880 1.00 0.00 C HETATM 2 O ACE A 1 -1.550 4.923 -3.015 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.602 7.028 -3.661 1.00 0.00 C HETATM 4 H1 ACE A 1 -1.191 7.435 -2.852 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.795 7.588 -4.564 1.00 0.00 H HETATM 6 H3 ACE A 1 0.446 7.095 -3.412 1.00 0.00 H ATOM 7 N LEU A 2 -0.667 5.018 -5.025 1.00 0.00 N ATOM 8 CA LEU A 2 -1.011 3.591 -5.283 1.00 0.00 C ATOM 9 C LEU A 2 -0.008 2.685 -4.576 1.00 0.00 C ATOM 10 O LEU A 2 -0.378 1.759 -3.881 1.00 0.00 O ATOM 11 CB LEU A 2 -0.925 3.423 -6.802 1.00 0.00 C ATOM 12 CG LEU A 2 -2.291 3.719 -7.428 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.373 5.201 -7.805 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.472 2.866 -8.688 1.00 0.00 C ATOM 15 H LEU A 2 -0.202 5.541 -5.709 1.00 0.00 H ATOM 16 HA LEU A 2 -2.010 3.380 -4.942 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.190 4.108 -7.198 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.635 2.410 -7.037 1.00 0.00 H ATOM 19 HG LEU A 2 -3.071 3.486 -6.718 1.00 0.00 H ATOM 20 HD11 LEU A 2 -1.481 5.708 -7.468 1.00 0.00 H ATOM 21 HD12 LEU A 2 -3.239 5.644 -7.335 1.00 0.00 H ATOM 22 HD13 LEU A 2 -2.458 5.296 -8.878 1.00 0.00 H ATOM 23 HD21 LEU A 2 -2.067 1.880 -8.515 1.00 0.00 H ATOM 24 HD22 LEU A 2 -1.955 3.329 -9.515 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.525 2.786 -8.920 1.00 0.00 H ATOM 26 N VAL A 3 1.260 2.953 -4.724 1.00 0.00 N ATOM 27 CA VAL A 3 2.269 2.109 -4.029 1.00 0.00 C ATOM 28 C VAL A 3 2.197 2.397 -2.531 1.00 0.00 C ATOM 29 O VAL A 3 2.567 1.583 -1.706 1.00 0.00 O ATOM 30 CB VAL A 3 3.629 2.522 -4.609 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.126 3.803 -3.932 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.643 1.401 -4.369 1.00 0.00 C ATOM 33 H VAL A 3 1.541 3.716 -5.274 1.00 0.00 H ATOM 34 HA VAL A 3 2.083 1.063 -4.222 1.00 0.00 H ATOM 35 HB VAL A 3 3.529 2.693 -5.671 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.885 4.264 -4.548 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.545 3.559 -2.968 1.00 0.00 H ATOM 38 HG13 VAL A 3 3.300 4.487 -3.804 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.245 0.468 -4.742 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.836 1.311 -3.310 1.00 0.00 H ATOM 41 HG23 VAL A 3 5.564 1.630 -4.884 1.00 0.00 H ATOM 42 N GLY A 4 1.695 3.550 -2.179 1.00 0.00 N ATOM 43 CA GLY A 4 1.570 3.900 -0.741 1.00 0.00 C ATOM 44 C GLY A 4 0.415 3.099 -0.157 1.00 0.00 C ATOM 45 O GLY A 4 0.540 2.461 0.869 1.00 0.00 O ATOM 46 H GLY A 4 1.383 4.179 -2.865 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.488 3.654 -0.225 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.365 4.955 -0.638 1.00 0.00 H ATOM 49 N ARG A 5 -0.708 3.110 -0.821 1.00 0.00 N ATOM 50 CA ARG A 5 -1.869 2.327 -0.319 1.00 0.00 C ATOM 51 C ARG A 5 -1.521 0.840 -0.356 1.00 0.00 C ATOM 52 O ARG A 5 -1.901 0.077 0.510 1.00 0.00 O ATOM 53 CB ARG A 5 -3.013 2.647 -1.282 1.00 0.00 C ATOM 54 CG ARG A 5 -3.787 3.862 -0.766 1.00 0.00 C ATOM 55 CD ARG A 5 -4.703 4.397 -1.870 1.00 0.00 C ATOM 56 NE ARG A 5 -5.255 5.668 -1.323 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.451 6.064 -1.664 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.618 6.777 -2.743 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.478 5.749 -0.923 1.00 0.00 N ATOM 60 H ARG A 5 -0.781 3.620 -1.658 1.00 0.00 H ATOM 61 HA ARG A 5 -2.128 2.632 0.682 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.609 2.865 -2.260 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.677 1.800 -1.347 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.382 3.572 0.088 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.091 4.634 -0.474 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.134 4.587 -2.770 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.504 3.700 -2.068 1.00 0.00 H ATOM 68 HE ARG A 5 -4.718 6.209 -0.708 1.00 0.00 H ATOM 69 HH11 ARG A 5 -5.830 7.021 -3.309 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.534 7.081 -3.006 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.348 5.205 -0.095 1.00 0.00 H ATOM 72 HH22 ARG A 5 -8.395 6.054 -1.184 1.00 0.00 H ATOM 73 N GLN A 6 -0.782 0.425 -1.351 1.00 0.00 N ATOM 74 CA GLN A 6 -0.390 -1.007 -1.440 1.00 0.00 C ATOM 75 C GLN A 6 0.449 -1.384 -0.218 1.00 0.00 C ATOM 76 O GLN A 6 0.130 -2.308 0.504 1.00 0.00 O ATOM 77 CB GLN A 6 0.442 -1.115 -2.717 1.00 0.00 C ATOM 78 CG GLN A 6 -0.271 -2.031 -3.713 1.00 0.00 C ATOM 79 CD GLN A 6 -1.634 -1.434 -4.072 1.00 0.00 C ATOM 80 OE1 GLN A 6 -2.658 -1.933 -3.649 1.00 0.00 O ATOM 81 NE2 GLN A 6 -1.690 -0.379 -4.837 1.00 0.00 N ATOM 82 H GLN A 6 -0.477 1.060 -2.031 1.00 0.00 H ATOM 83 HA GLN A 6 -1.263 -1.637 -1.510 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.560 -0.133 -3.151 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.411 -1.526 -2.483 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.329 -2.125 -4.608 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.412 -3.005 -3.270 1.00 0.00 H ATOM 88 HE21 GLN A 6 -0.864 0.024 -5.178 1.00 0.00 H ATOM 89 HE22 GLN A 6 -2.558 0.010 -5.071 1.00 0.00 H ATOM 90 N LEU A 7 1.515 -0.669 0.031 1.00 0.00 N ATOM 91 CA LEU A 7 2.356 -0.992 1.218 1.00 0.00 C ATOM 92 C LEU A 7 1.511 -0.883 2.489 1.00 0.00 C ATOM 93 O LEU A 7 1.510 -1.766 3.325 1.00 0.00 O ATOM 94 CB LEU A 7 3.470 0.053 1.222 1.00 0.00 C ATOM 95 CG LEU A 7 4.769 -0.592 1.707 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.637 -0.968 0.505 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.527 0.397 2.593 1.00 0.00 C ATOM 98 H LEU A 7 1.756 0.082 -0.557 1.00 0.00 H ATOM 99 HA LEU A 7 2.776 -1.981 1.127 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.609 0.437 0.221 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.202 0.862 1.884 1.00 0.00 H ATOM 102 HG LEU A 7 4.537 -1.482 2.275 1.00 0.00 H ATOM 103 HD11 LEU A 7 6.513 -0.338 0.483 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.071 -0.832 -0.405 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.939 -2.002 0.589 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.830 0.923 3.227 1.00 0.00 H ATOM 107 HD22 LEU A 7 6.054 1.106 1.970 1.00 0.00 H ATOM 108 HD23 LEU A 7 6.237 -0.140 3.207 1.00 0.00 H ATOM 109 N GLU A 8 0.777 0.188 2.633 1.00 0.00 N ATOM 110 CA GLU A 8 -0.079 0.338 3.840 1.00 0.00 C ATOM 111 C GLU A 8 -1.111 -0.785 3.849 1.00 0.00 C ATOM 112 O GLU A 8 -1.598 -1.196 4.883 1.00 0.00 O ATOM 113 CB GLU A 8 -0.757 1.699 3.685 1.00 0.00 C ATOM 114 CG GLU A 8 -0.278 2.637 4.796 1.00 0.00 C ATOM 115 CD GLU A 8 -1.003 3.979 4.684 1.00 0.00 C ATOM 116 OE1 GLU A 8 -0.996 4.545 3.604 1.00 0.00 O ATOM 117 OE2 GLU A 8 -1.553 4.417 5.681 1.00 0.00 O ATOM 118 H GLU A 8 0.779 0.881 1.942 1.00 0.00 H ATOM 119 HA GLU A 8 0.519 0.315 4.737 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.502 2.119 2.723 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.827 1.579 3.756 1.00 0.00 H ATOM 122 HG2 GLU A 8 -0.488 2.192 5.757 1.00 0.00 H ATOM 123 HG3 GLU A 8 0.786 2.796 4.699 1.00 0.00 H ATOM 124 N GLU A 9 -1.429 -1.293 2.691 1.00 0.00 N ATOM 125 CA GLU A 9 -2.413 -2.406 2.603 1.00 0.00 C ATOM 126 C GLU A 9 -1.687 -3.734 2.825 1.00 0.00 C ATOM 127 O GLU A 9 -2.289 -4.744 3.132 1.00 0.00 O ATOM 128 CB GLU A 9 -2.977 -2.321 1.182 1.00 0.00 C ATOM 129 CG GLU A 9 -3.618 -3.657 0.795 1.00 0.00 C ATOM 130 CD GLU A 9 -4.364 -3.502 -0.531 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.535 -3.160 -0.494 1.00 0.00 O ATOM 132 OE2 GLU A 9 -3.752 -3.727 -1.563 1.00 0.00 O ATOM 133 H GLU A 9 -1.006 -0.945 1.876 1.00 0.00 H ATOM 134 HA GLU A 9 -3.202 -2.275 3.326 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.721 -1.538 1.138 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.177 -2.095 0.492 1.00 0.00 H ATOM 137 HG2 GLU A 9 -2.849 -4.407 0.690 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.314 -3.959 1.564 1.00 0.00 H ATOM 139 N PHE A 10 -0.389 -3.731 2.676 1.00 0.00 N ATOM 140 CA PHE A 10 0.400 -4.978 2.879 1.00 0.00 C ATOM 141 C PHE A 10 0.936 -5.024 4.311 1.00 0.00 C ATOM 142 O PHE A 10 1.398 -6.044 4.782 1.00 0.00 O ATOM 143 CB PHE A 10 1.550 -4.879 1.876 1.00 0.00 C ATOM 144 CG PHE A 10 2.265 -6.204 1.785 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.737 -7.230 0.996 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.459 -6.403 2.488 1.00 0.00 C ATOM 147 CE1 PHE A 10 2.402 -8.458 0.907 1.00 0.00 C ATOM 148 CE2 PHE A 10 4.124 -7.631 2.401 1.00 0.00 C ATOM 149 CZ PHE A 10 3.596 -8.659 1.610 1.00 0.00 C ATOM 150 H PHE A 10 0.071 -2.899 2.432 1.00 0.00 H ATOM 151 HA PHE A 10 -0.203 -5.848 2.670 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.159 -4.615 0.905 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.245 -4.119 2.201 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.815 -7.075 0.454 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.865 -5.610 3.098 1.00 0.00 H ATOM 156 HE1 PHE A 10 1.994 -9.251 0.298 1.00 0.00 H ATOM 157 HE2 PHE A 10 5.046 -7.785 2.943 1.00 0.00 H ATOM 158 HZ PHE A 10 4.110 -9.606 1.541 1.00 0.00 H ATOM 159 N LEU A 11 0.877 -3.920 5.005 1.00 0.00 N ATOM 160 CA LEU A 11 1.382 -3.889 6.407 1.00 0.00 C ATOM 161 C LEU A 11 0.262 -4.270 7.380 1.00 0.00 C ATOM 162 O LEU A 11 -0.117 -3.490 8.230 1.00 0.00 O ATOM 163 CB LEU A 11 1.823 -2.443 6.632 1.00 0.00 C ATOM 164 CG LEU A 11 2.799 -2.383 7.807 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.121 -3.042 7.406 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.053 -0.921 8.182 1.00 0.00 C ATOM 167 H LEU A 11 0.500 -3.108 4.603 1.00 0.00 H ATOM 168 HA LEU A 11 2.223 -4.554 6.520 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.309 -2.074 5.740 1.00 0.00 H ATOM 170 HB3 LEU A 11 0.960 -1.832 6.851 1.00 0.00 H ATOM 171 HG LEU A 11 2.377 -2.907 8.652 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.943 -4.073 7.140 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.810 -2.998 8.236 1.00 0.00 H ATOM 174 HD13 LEU A 11 4.540 -2.519 6.560 1.00 0.00 H ATOM 175 HD21 LEU A 11 2.267 -0.303 7.773 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.004 -0.606 7.780 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.066 -0.821 9.257 1.00 0.00 H HETATM 178 N NH2 A 12 -0.288 -5.450 7.287 1.00 0.00 N HETATM 179 HN1 NH2 A 12 0.017 -6.080 6.601 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -1.008 -5.705 7.902 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 50 HETATM 1 C ACE A 1 -0.842 5.579 -3.927 1.00 0.00 C HETATM 2 O ACE A 1 -1.366 5.003 -2.992 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.492 7.067 -3.846 1.00 0.00 C HETATM 4 H1 ACE A 1 0.078 7.348 -4.719 1.00 0.00 H HETATM 5 H2 ACE A 1 0.093 7.252 -2.958 1.00 0.00 H HETATM 6 H3 ACE A 1 -1.402 7.649 -3.807 1.00 0.00 H ATOM 7 N LEU A 2 -0.558 4.951 -5.035 1.00 0.00 N ATOM 8 CA LEU A 2 -0.876 3.503 -5.171 1.00 0.00 C ATOM 9 C LEU A 2 0.171 2.666 -4.438 1.00 0.00 C ATOM 10 O LEU A 2 -0.151 1.711 -3.762 1.00 0.00 O ATOM 11 CB LEU A 2 -0.844 3.220 -6.675 1.00 0.00 C ATOM 12 CG LEU A 2 -1.028 1.721 -6.917 1.00 0.00 C ATOM 13 CD1 LEU A 2 -1.524 1.488 -8.345 1.00 0.00 C ATOM 14 CD2 LEU A 2 0.311 1.007 -6.719 1.00 0.00 C ATOM 15 H LEU A 2 -0.133 5.432 -5.776 1.00 0.00 H ATOM 16 HA LEU A 2 -1.856 3.298 -4.777 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.644 3.764 -7.159 1.00 0.00 H ATOM 18 HB3 LEU A 2 0.104 3.536 -7.083 1.00 0.00 H ATOM 19 HG LEU A 2 -1.754 1.330 -6.218 1.00 0.00 H ATOM 20 HD11 LEU A 2 -0.677 1.397 -9.011 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.137 2.321 -8.656 1.00 0.00 H ATOM 22 HD13 LEU A 2 -2.107 0.580 -8.380 1.00 0.00 H ATOM 23 HD21 LEU A 2 0.278 0.424 -5.811 1.00 0.00 H ATOM 24 HD22 LEU A 2 1.102 1.739 -6.647 1.00 0.00 H ATOM 25 HD23 LEU A 2 0.500 0.355 -7.558 1.00 0.00 H ATOM 26 N VAL A 3 1.417 3.025 -4.550 1.00 0.00 N ATOM 27 CA VAL A 3 2.471 2.255 -3.837 1.00 0.00 C ATOM 28 C VAL A 3 2.301 2.459 -2.330 1.00 0.00 C ATOM 29 O VAL A 3 2.640 1.607 -1.527 1.00 0.00 O ATOM 30 CB VAL A 3 3.795 2.849 -4.322 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.952 2.235 -3.532 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.974 2.541 -5.811 1.00 0.00 C ATOM 33 H VAL A 3 1.657 3.808 -5.088 1.00 0.00 H ATOM 34 HA VAL A 3 2.415 1.208 -4.090 1.00 0.00 H ATOM 35 HB VAL A 3 3.785 3.918 -4.172 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.721 2.259 -2.477 1.00 0.00 H ATOM 37 HG12 VAL A 3 5.853 2.803 -3.715 1.00 0.00 H ATOM 38 HG13 VAL A 3 5.102 1.213 -3.846 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.174 1.898 -6.145 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.922 2.048 -5.966 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.952 3.462 -6.374 1.00 0.00 H ATOM 42 N GLY A 4 1.754 3.583 -1.948 1.00 0.00 N ATOM 43 CA GLY A 4 1.537 3.859 -0.502 1.00 0.00 C ATOM 44 C GLY A 4 0.323 3.066 -0.031 1.00 0.00 C ATOM 45 O GLY A 4 0.361 2.392 0.978 1.00 0.00 O ATOM 46 H GLY A 4 1.472 4.241 -2.620 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.410 3.558 0.061 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.355 4.913 -0.356 1.00 0.00 H ATOM 49 N ARG A 5 -0.753 3.130 -0.766 1.00 0.00 N ATOM 50 CA ARG A 5 -1.964 2.362 -0.370 1.00 0.00 C ATOM 51 C ARG A 5 -1.653 0.866 -0.428 1.00 0.00 C ATOM 52 O ARG A 5 -2.106 0.091 0.392 1.00 0.00 O ATOM 53 CB ARG A 5 -3.027 2.734 -1.407 1.00 0.00 C ATOM 54 CG ARG A 5 -4.146 1.691 -1.390 1.00 0.00 C ATOM 55 CD ARG A 5 -5.490 2.375 -1.644 1.00 0.00 C ATOM 56 NE ARG A 5 -6.494 1.496 -0.984 1.00 0.00 N ATOM 57 CZ ARG A 5 -7.495 1.017 -1.670 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.328 0.684 -2.921 1.00 0.00 N ATOM 59 NH2 ARG A 5 -8.662 0.869 -1.104 1.00 0.00 N ATOM 60 H ARG A 5 -0.757 3.672 -1.585 1.00 0.00 H ATOM 61 HA ARG A 5 -2.289 2.648 0.619 1.00 0.00 H ATOM 62 HB2 ARG A 5 -3.436 3.706 -1.170 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.578 2.762 -2.388 1.00 0.00 H ATOM 64 HG2 ARG A 5 -3.963 0.956 -2.160 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.169 1.205 -0.426 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.499 3.362 -1.201 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.688 2.434 -2.703 1.00 0.00 H ATOM 68 HE ARG A 5 -6.404 1.278 -0.033 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.434 0.796 -3.353 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.096 0.315 -3.447 1.00 0.00 H ATOM 71 HH21 ARG A 5 -8.787 1.122 -0.145 1.00 0.00 H ATOM 72 HH22 ARG A 5 -9.430 0.502 -1.629 1.00 0.00 H ATOM 73 N GLN A 6 -0.875 0.458 -1.394 1.00 0.00 N ATOM 74 CA GLN A 6 -0.523 -0.985 -1.515 1.00 0.00 C ATOM 75 C GLN A 6 0.293 -1.424 -0.299 1.00 0.00 C ATOM 76 O GLN A 6 -0.060 -2.361 0.391 1.00 0.00 O ATOM 77 CB GLN A 6 0.311 -1.087 -2.793 1.00 0.00 C ATOM 78 CG GLN A 6 -0.549 -1.670 -3.919 1.00 0.00 C ATOM 79 CD GLN A 6 -0.870 -3.133 -3.611 1.00 0.00 C ATOM 80 OE1 GLN A 6 -0.006 -3.984 -3.680 1.00 0.00 O ATOM 81 NE2 GLN A 6 -2.084 -3.462 -3.269 1.00 0.00 N ATOM 82 H GLN A 6 -0.519 1.102 -2.039 1.00 0.00 H ATOM 83 HA GLN A 6 -1.415 -1.584 -1.607 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.656 -0.103 -3.076 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.158 -1.730 -2.621 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.468 -1.108 -3.997 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.009 -1.611 -4.853 1.00 0.00 H ATOM 88 HE21 GLN A 6 -2.780 -2.775 -3.212 1.00 0.00 H ATOM 89 HE22 GLN A 6 -2.301 -4.398 -3.071 1.00 0.00 H ATOM 90 N LEU A 7 1.379 -0.752 -0.019 1.00 0.00 N ATOM 91 CA LEU A 7 2.197 -1.143 1.163 1.00 0.00 C ATOM 92 C LEU A 7 1.392 -0.919 2.443 1.00 0.00 C ATOM 93 O LEU A 7 1.527 -1.642 3.409 1.00 0.00 O ATOM 94 CB LEU A 7 3.421 -0.232 1.131 1.00 0.00 C ATOM 95 CG LEU A 7 4.662 -1.059 0.788 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.908 -0.179 0.899 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.779 -2.229 1.768 1.00 0.00 C ATOM 98 H LEU A 7 1.651 0.010 -0.580 1.00 0.00 H ATOM 99 HA LEU A 7 2.500 -2.175 1.085 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.278 0.536 0.385 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.553 0.227 2.099 1.00 0.00 H ATOM 102 HG LEU A 7 4.574 -1.437 -0.220 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.700 0.796 0.484 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.722 -0.636 0.354 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.185 -0.076 1.938 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.778 -2.255 2.179 1.00 0.00 H ATOM 107 HD22 LEU A 7 4.578 -3.156 1.249 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.065 -2.102 2.568 1.00 0.00 H ATOM 109 N GLU A 8 0.542 0.071 2.452 1.00 0.00 N ATOM 110 CA GLU A 8 -0.282 0.328 3.664 1.00 0.00 C ATOM 111 C GLU A 8 -1.273 -0.814 3.851 1.00 0.00 C ATOM 112 O GLU A 8 -1.672 -1.137 4.952 1.00 0.00 O ATOM 113 CB GLU A 8 -1.021 1.634 3.380 1.00 0.00 C ATOM 114 CG GLU A 8 -0.228 2.810 3.949 1.00 0.00 C ATOM 115 CD GLU A 8 -0.898 4.120 3.533 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.489 4.147 2.466 1.00 0.00 O ATOM 117 OE2 GLU A 8 -0.813 5.073 4.290 1.00 0.00 O ATOM 118 H GLU A 8 0.438 0.635 1.659 1.00 0.00 H ATOM 119 HA GLU A 8 0.345 0.431 4.534 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.132 1.757 2.313 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.996 1.603 3.842 1.00 0.00 H ATOM 122 HG2 GLU A 8 -0.206 2.740 5.027 1.00 0.00 H ATOM 123 HG3 GLU A 8 0.781 2.785 3.564 1.00 0.00 H ATOM 124 N GLU A 9 -1.662 -1.437 2.776 1.00 0.00 N ATOM 125 CA GLU A 9 -2.617 -2.572 2.877 1.00 0.00 C ATOM 126 C GLU A 9 -1.833 -3.866 3.084 1.00 0.00 C ATOM 127 O GLU A 9 -2.358 -4.865 3.535 1.00 0.00 O ATOM 128 CB GLU A 9 -3.354 -2.583 1.534 1.00 0.00 C ATOM 129 CG GLU A 9 -3.969 -3.963 1.289 1.00 0.00 C ATOM 130 CD GLU A 9 -3.130 -4.716 0.254 1.00 0.00 C ATOM 131 OE1 GLU A 9 -2.044 -5.148 0.603 1.00 0.00 O ATOM 132 OE2 GLU A 9 -3.588 -4.846 -0.869 1.00 0.00 O ATOM 133 H GLU A 9 -1.313 -1.162 1.899 1.00 0.00 H ATOM 134 HA GLU A 9 -3.314 -2.415 3.685 1.00 0.00 H ATOM 135 HB2 GLU A 9 -4.138 -1.839 1.550 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.658 -2.356 0.741 1.00 0.00 H ATOM 137 HG2 GLU A 9 -3.986 -4.519 2.214 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.977 -3.848 0.918 1.00 0.00 H ATOM 139 N PHE A 10 -0.570 -3.845 2.761 1.00 0.00 N ATOM 140 CA PHE A 10 0.272 -5.062 2.938 1.00 0.00 C ATOM 141 C PHE A 10 1.111 -4.932 4.210 1.00 0.00 C ATOM 142 O PHE A 10 1.778 -5.860 4.626 1.00 0.00 O ATOM 143 CB PHE A 10 1.170 -5.107 1.702 1.00 0.00 C ATOM 144 CG PHE A 10 1.301 -6.535 1.228 1.00 0.00 C ATOM 145 CD1 PHE A 10 0.155 -7.288 0.948 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.570 -7.105 1.069 1.00 0.00 C ATOM 147 CE1 PHE A 10 0.276 -8.612 0.509 1.00 0.00 C ATOM 148 CE2 PHE A 10 2.692 -8.430 0.629 1.00 0.00 C ATOM 149 CZ PHE A 10 1.545 -9.183 0.351 1.00 0.00 C ATOM 150 H PHE A 10 -0.171 -3.018 2.407 1.00 0.00 H ATOM 151 HA PHE A 10 -0.345 -5.944 2.979 1.00 0.00 H ATOM 152 HB2 PHE A 10 0.735 -4.505 0.918 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.147 -4.721 1.952 1.00 0.00 H ATOM 154 HD1 PHE A 10 -0.824 -6.848 1.071 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.455 -6.525 1.284 1.00 0.00 H ATOM 156 HE1 PHE A 10 -0.607 -9.192 0.294 1.00 0.00 H ATOM 157 HE2 PHE A 10 3.671 -8.869 0.506 1.00 0.00 H ATOM 158 HZ PHE A 10 1.639 -10.204 0.012 1.00 0.00 H ATOM 159 N LEU A 11 1.089 -3.784 4.830 1.00 0.00 N ATOM 160 CA LEU A 11 1.891 -3.590 6.072 1.00 0.00 C ATOM 161 C LEU A 11 0.980 -3.178 7.232 1.00 0.00 C ATOM 162 O LEU A 11 1.256 -3.475 8.377 1.00 0.00 O ATOM 163 CB LEU A 11 2.869 -2.465 5.731 1.00 0.00 C ATOM 164 CG LEU A 11 4.212 -2.726 6.414 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.183 -3.350 5.409 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.785 -1.401 6.925 1.00 0.00 C ATOM 167 H LEU A 11 0.548 -3.047 4.476 1.00 0.00 H ATOM 168 HA LEU A 11 2.432 -4.489 6.316 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.011 -2.426 4.661 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.469 -1.524 6.075 1.00 0.00 H ATOM 171 HG LEU A 11 4.068 -3.403 7.243 1.00 0.00 H ATOM 172 HD11 LEU A 11 5.237 -4.416 5.576 1.00 0.00 H ATOM 173 HD12 LEU A 11 6.163 -2.915 5.537 1.00 0.00 H ATOM 174 HD13 LEU A 11 4.835 -3.160 4.404 1.00 0.00 H ATOM 175 HD21 LEU A 11 5.825 -1.324 6.640 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.703 -1.365 8.001 1.00 0.00 H ATOM 177 HD23 LEU A 11 4.232 -0.580 6.494 1.00 0.00 H HETATM 178 N NH2 A 12 -0.107 -2.500 6.981 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.332 -2.258 6.058 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.697 -2.232 7.716 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 51 HETATM 1 C ACE A 1 -0.634 5.630 -4.065 1.00 0.00 C HETATM 2 O ACE A 1 -1.095 5.065 -3.092 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.162 7.084 -3.989 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.792 7.631 -3.301 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.223 7.535 -4.967 1.00 0.00 H HETATM 6 H3 ACE A 1 0.860 7.113 -3.642 1.00 0.00 H ATOM 7 N LEU A 2 -0.519 5.017 -5.212 1.00 0.00 N ATOM 8 CA LEU A 2 -0.957 3.599 -5.340 1.00 0.00 C ATOM 9 C LEU A 2 0.008 2.702 -4.573 1.00 0.00 C ATOM 10 O LEU A 2 -0.389 1.764 -3.910 1.00 0.00 O ATOM 11 CB LEU A 2 -0.908 3.292 -6.837 1.00 0.00 C ATOM 12 CG LEU A 2 -1.719 4.340 -7.600 1.00 0.00 C ATOM 13 CD1 LEU A 2 -1.776 3.965 -9.082 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.141 4.392 -7.034 1.00 0.00 C ATOM 15 H LEU A 2 -0.139 5.483 -5.985 1.00 0.00 H ATOM 16 HA LEU A 2 -1.962 3.479 -4.967 1.00 0.00 H ATOM 17 HB2 LEU A 2 0.119 3.314 -7.175 1.00 0.00 H ATOM 18 HB3 LEU A 2 -1.325 2.313 -7.018 1.00 0.00 H ATOM 19 HG LEU A 2 -1.251 5.307 -7.491 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.106 4.817 -9.657 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.467 3.147 -9.221 1.00 0.00 H ATOM 22 HD13 LEU A 2 -0.793 3.666 -9.416 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.098 4.578 -5.971 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.634 3.448 -7.216 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.691 5.184 -7.518 1.00 0.00 H ATOM 26 N VAL A 3 1.275 2.994 -4.646 1.00 0.00 N ATOM 27 CA VAL A 3 2.266 2.169 -3.905 1.00 0.00 C ATOM 28 C VAL A 3 2.142 2.459 -2.408 1.00 0.00 C ATOM 29 O VAL A 3 2.499 1.651 -1.571 1.00 0.00 O ATOM 30 CB VAL A 3 3.632 2.607 -4.438 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.003 3.972 -3.850 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.687 1.575 -4.035 1.00 0.00 C ATOM 33 H VAL A 3 1.571 3.764 -5.177 1.00 0.00 H ATOM 34 HA VAL A 3 2.109 1.121 -4.102 1.00 0.00 H ATOM 35 HB VAL A 3 3.590 2.680 -5.514 1.00 0.00 H ATOM 36 HG11 VAL A 3 3.130 4.605 -3.833 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.768 4.429 -4.459 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.373 3.841 -2.844 1.00 0.00 H ATOM 39 HG21 VAL A 3 5.143 1.162 -4.923 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.217 0.782 -3.470 1.00 0.00 H ATOM 41 HG23 VAL A 3 5.443 2.050 -3.428 1.00 0.00 H ATOM 42 N GLY A 4 1.619 3.608 -2.068 1.00 0.00 N ATOM 43 CA GLY A 4 1.451 3.957 -0.633 1.00 0.00 C ATOM 44 C GLY A 4 0.264 3.176 -0.078 1.00 0.00 C ATOM 45 O GLY A 4 0.345 2.560 0.966 1.00 0.00 O ATOM 46 H GLY A 4 1.325 4.235 -2.762 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.348 3.696 -0.088 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.260 5.014 -0.535 1.00 0.00 H ATOM 49 N ARG A 5 -0.835 3.183 -0.781 1.00 0.00 N ATOM 50 CA ARG A 5 -2.022 2.424 -0.301 1.00 0.00 C ATOM 51 C ARG A 5 -1.697 0.930 -0.295 1.00 0.00 C ATOM 52 O ARG A 5 -2.071 0.202 0.605 1.00 0.00 O ATOM 53 CB ARG A 5 -3.129 2.732 -1.310 1.00 0.00 C ATOM 54 CG ARG A 5 -4.377 3.217 -0.570 1.00 0.00 C ATOM 55 CD ARG A 5 -4.246 4.712 -0.272 1.00 0.00 C ATOM 56 NE ARG A 5 -5.287 5.363 -1.115 1.00 0.00 N ATOM 57 CZ ARG A 5 -5.005 6.452 -1.775 1.00 0.00 C ATOM 58 NH1 ARG A 5 -4.579 7.510 -1.139 1.00 0.00 N ATOM 59 NH2 ARG A 5 -5.147 6.486 -3.072 1.00 0.00 N ATOM 60 H ARG A 5 -0.874 3.677 -1.629 1.00 0.00 H ATOM 61 HA ARG A 5 -2.312 2.753 0.684 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.792 3.502 -1.990 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.369 1.839 -1.867 1.00 0.00 H ATOM 64 HG2 ARG A 5 -5.249 3.045 -1.184 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.478 2.675 0.359 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.431 4.904 0.775 1.00 0.00 H ATOM 67 HD3 ARG A 5 -3.267 5.067 -0.555 1.00 0.00 H ATOM 68 HE ARG A 5 -6.185 4.973 -1.174 1.00 0.00 H ATOM 69 HH11 ARG A 5 -4.470 7.484 -0.144 1.00 0.00 H ATOM 70 HH12 ARG A 5 -4.362 8.344 -1.643 1.00 0.00 H ATOM 71 HH21 ARG A 5 -5.471 5.675 -3.560 1.00 0.00 H ATOM 72 HH22 ARG A 5 -4.929 7.321 -3.578 1.00 0.00 H ATOM 73 N GLN A 6 -0.987 0.471 -1.291 1.00 0.00 N ATOM 74 CA GLN A 6 -0.620 -0.971 -1.343 1.00 0.00 C ATOM 75 C GLN A 6 0.281 -1.317 -0.156 1.00 0.00 C ATOM 76 O GLN A 6 0.046 -2.273 0.555 1.00 0.00 O ATOM 77 CB GLN A 6 0.136 -1.142 -2.661 1.00 0.00 C ATOM 78 CG GLN A 6 -0.861 -1.383 -3.795 1.00 0.00 C ATOM 79 CD GLN A 6 -1.076 -2.886 -3.979 1.00 0.00 C ATOM 80 OE1 GLN A 6 -0.163 -3.669 -3.801 1.00 0.00 O ATOM 81 NE2 GLN A 6 -2.253 -3.327 -4.328 1.00 0.00 N ATOM 82 H GLN A 6 -0.687 1.078 -1.999 1.00 0.00 H ATOM 83 HA GLN A 6 -1.505 -1.588 -1.340 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.708 -0.247 -2.866 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.804 -1.986 -2.587 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.803 -0.911 -3.551 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.475 -0.962 -4.711 1.00 0.00 H ATOM 88 HE21 GLN A 6 -2.990 -2.695 -4.469 1.00 0.00 H ATOM 89 HE22 GLN A 6 -2.401 -4.287 -4.449 1.00 0.00 H ATOM 90 N LEU A 7 1.307 -0.541 0.068 1.00 0.00 N ATOM 91 CA LEU A 7 2.212 -0.829 1.216 1.00 0.00 C ATOM 92 C LEU A 7 1.414 -0.822 2.521 1.00 0.00 C ATOM 93 O LEU A 7 1.589 -1.673 3.372 1.00 0.00 O ATOM 94 CB LEU A 7 3.242 0.301 1.208 1.00 0.00 C ATOM 95 CG LEU A 7 4.484 -0.134 1.987 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.419 -0.913 1.061 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.209 1.103 2.519 1.00 0.00 C ATOM 98 H LEU A 7 1.480 0.230 -0.514 1.00 0.00 H ATOM 99 HA LEU A 7 2.703 -1.779 1.080 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.517 0.529 0.187 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.818 1.178 1.671 1.00 0.00 H ATOM 102 HG LEU A 7 4.188 -0.764 2.813 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.840 -1.597 0.458 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.131 -1.469 1.654 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.946 -0.223 0.418 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.538 1.949 2.503 1.00 0.00 H ATOM 107 HD22 LEU A 7 6.067 1.314 1.897 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.536 0.922 3.533 1.00 0.00 H ATOM 109 N GLU A 8 0.532 0.125 2.680 1.00 0.00 N ATOM 110 CA GLU A 8 -0.283 0.179 3.925 1.00 0.00 C ATOM 111 C GLU A 8 -1.249 -1.004 3.946 1.00 0.00 C ATOM 112 O GLU A 8 -1.690 -1.443 4.990 1.00 0.00 O ATOM 113 CB GLU A 8 -1.044 1.501 3.849 1.00 0.00 C ATOM 114 CG GLU A 8 -0.650 2.386 5.035 1.00 0.00 C ATOM 115 CD GLU A 8 -0.392 3.813 4.547 1.00 0.00 C ATOM 116 OE1 GLU A 8 -0.384 4.017 3.344 1.00 0.00 O ATOM 117 OE2 GLU A 8 -0.204 4.678 5.386 1.00 0.00 O ATOM 118 H GLU A 8 0.400 0.796 1.978 1.00 0.00 H ATOM 119 HA GLU A 8 0.353 0.163 4.794 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.800 2.004 2.925 1.00 0.00 H ATOM 121 HB3 GLU A 8 -2.107 1.308 3.884 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.450 2.392 5.761 1.00 0.00 H ATOM 123 HG3 GLU A 8 0.248 1.995 5.491 1.00 0.00 H ATOM 124 N GLU A 9 -1.570 -1.530 2.798 1.00 0.00 N ATOM 125 CA GLU A 9 -2.494 -2.696 2.749 1.00 0.00 C ATOM 126 C GLU A 9 -1.692 -3.983 2.939 1.00 0.00 C ATOM 127 O GLU A 9 -2.222 -5.014 3.300 1.00 0.00 O ATOM 128 CB GLU A 9 -3.130 -2.652 1.359 1.00 0.00 C ATOM 129 CG GLU A 9 -4.483 -1.942 1.440 1.00 0.00 C ATOM 130 CD GLU A 9 -5.430 -2.747 2.331 1.00 0.00 C ATOM 131 OE1 GLU A 9 -6.104 -3.622 1.810 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.466 -2.477 3.520 1.00 0.00 O ATOM 133 H GLU A 9 -1.191 -1.165 1.968 1.00 0.00 H ATOM 134 HA GLU A 9 -3.253 -2.608 3.510 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.480 -2.116 0.682 1.00 0.00 H ATOM 136 HB3 GLU A 9 -3.276 -3.659 0.998 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.347 -0.955 1.857 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.907 -1.860 0.450 1.00 0.00 H ATOM 139 N PHE A 10 -0.408 -3.919 2.710 1.00 0.00 N ATOM 140 CA PHE A 10 0.446 -5.125 2.887 1.00 0.00 C ATOM 141 C PHE A 10 1.165 -5.049 4.237 1.00 0.00 C ATOM 142 O PHE A 10 1.770 -6.001 4.686 1.00 0.00 O ATOM 143 CB PHE A 10 1.454 -5.074 1.738 1.00 0.00 C ATOM 144 CG PHE A 10 1.180 -6.206 0.777 1.00 0.00 C ATOM 145 CD1 PHE A 10 0.105 -6.123 -0.116 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.002 -7.342 0.779 1.00 0.00 C ATOM 147 CE1 PHE A 10 -0.149 -7.173 -1.006 1.00 0.00 C ATOM 148 CE2 PHE A 10 1.747 -8.391 -0.111 1.00 0.00 C ATOM 149 CZ PHE A 10 0.672 -8.307 -1.004 1.00 0.00 C ATOM 150 H PHE A 10 -0.004 -3.070 2.430 1.00 0.00 H ATOM 151 HA PHE A 10 -0.147 -6.024 2.823 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.361 -4.131 1.219 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.455 -5.171 2.131 1.00 0.00 H ATOM 154 HD1 PHE A 10 -0.528 -5.249 -0.117 1.00 0.00 H ATOM 155 HD2 PHE A 10 2.831 -7.406 1.468 1.00 0.00 H ATOM 156 HE1 PHE A 10 -0.979 -7.109 -1.695 1.00 0.00 H ATOM 157 HE2 PHE A 10 2.381 -9.266 -0.110 1.00 0.00 H ATOM 158 HZ PHE A 10 0.476 -9.117 -1.690 1.00 0.00 H ATOM 159 N LEU A 11 1.099 -3.916 4.885 1.00 0.00 N ATOM 160 CA LEU A 11 1.775 -3.769 6.207 1.00 0.00 C ATOM 161 C LEU A 11 1.284 -4.845 7.178 1.00 0.00 C ATOM 162 O LEU A 11 2.054 -5.403 7.932 1.00 0.00 O ATOM 163 CB LEU A 11 1.377 -2.379 6.701 1.00 0.00 C ATOM 164 CG LEU A 11 2.637 -1.566 7.007 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.418 -2.237 8.139 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.514 -1.501 5.754 1.00 0.00 C ATOM 167 H LEU A 11 0.604 -3.162 4.502 1.00 0.00 H ATOM 168 HA LEU A 11 2.846 -3.826 6.091 1.00 0.00 H ATOM 169 HB2 LEU A 11 0.800 -1.877 5.937 1.00 0.00 H ATOM 170 HB3 LEU A 11 0.784 -2.471 7.599 1.00 0.00 H ATOM 171 HG LEU A 11 2.357 -0.566 7.305 1.00 0.00 H ATOM 172 HD11 LEU A 11 2.862 -2.150 9.061 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.376 -1.752 8.250 1.00 0.00 H ATOM 174 HD13 LEU A 11 3.566 -3.280 7.906 1.00 0.00 H ATOM 175 HD21 LEU A 11 3.518 -0.492 5.370 1.00 0.00 H ATOM 176 HD22 LEU A 11 3.121 -2.171 5.004 1.00 0.00 H ATOM 177 HD23 LEU A 11 4.522 -1.795 6.005 1.00 0.00 H HETATM 178 N NH2 A 12 0.017 -5.159 7.192 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.606 -4.710 6.583 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.311 -5.843 7.811 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 52 HETATM 1 C ACE A 1 -0.573 5.814 -3.837 1.00 0.00 C HETATM 2 O ACE A 1 -1.027 5.223 -2.876 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.003 7.227 -3.703 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.161 7.586 -2.696 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.503 7.884 -4.400 1.00 0.00 H HETATM 6 H3 ACE A 1 1.054 7.210 -3.920 1.00 0.00 H ATOM 7 N LEU A 2 -0.548 5.262 -5.020 1.00 0.00 N ATOM 8 CA LEU A 2 -1.084 3.886 -5.207 1.00 0.00 C ATOM 9 C LEU A 2 -0.145 2.885 -4.544 1.00 0.00 C ATOM 10 O LEU A 2 -0.567 1.980 -3.855 1.00 0.00 O ATOM 11 CB LEU A 2 -1.125 3.672 -6.718 1.00 0.00 C ATOM 12 CG LEU A 2 -2.009 2.467 -7.038 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.410 2.699 -6.468 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.097 2.289 -8.555 1.00 0.00 C ATOM 15 H LEU A 2 -0.170 5.748 -5.781 1.00 0.00 H ATOM 16 HA LEU A 2 -2.076 3.807 -4.792 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.530 4.554 -7.195 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.126 3.491 -7.084 1.00 0.00 H ATOM 19 HG LEU A 2 -1.582 1.579 -6.592 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.510 3.733 -6.171 1.00 0.00 H ATOM 21 HD12 LEU A 2 -3.559 2.062 -5.608 1.00 0.00 H ATOM 22 HD13 LEU A 2 -4.148 2.467 -7.221 1.00 0.00 H ATOM 23 HD21 LEU A 2 -2.765 3.031 -8.966 1.00 0.00 H ATOM 24 HD22 LEU A 2 -2.472 1.303 -8.781 1.00 0.00 H ATOM 25 HD23 LEU A 2 -1.115 2.409 -8.989 1.00 0.00 H ATOM 26 N VAL A 3 1.132 3.058 -4.732 1.00 0.00 N ATOM 27 CA VAL A 3 2.103 2.130 -4.092 1.00 0.00 C ATOM 28 C VAL A 3 2.058 2.343 -2.582 1.00 0.00 C ATOM 29 O VAL A 3 2.356 1.456 -1.804 1.00 0.00 O ATOM 30 CB VAL A 3 3.470 2.517 -4.656 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.510 1.482 -4.222 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.399 2.557 -6.185 1.00 0.00 C ATOM 33 H VAL A 3 1.452 3.809 -5.280 1.00 0.00 H ATOM 34 HA VAL A 3 1.871 1.107 -4.341 1.00 0.00 H ATOM 35 HB VAL A 3 3.752 3.491 -4.281 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.995 1.816 -3.318 1.00 0.00 H ATOM 37 HG12 VAL A 3 5.246 1.362 -5.003 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.021 0.536 -4.040 1.00 0.00 H ATOM 39 HG21 VAL A 3 2.714 1.798 -6.533 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.381 2.372 -6.595 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.052 3.529 -6.504 1.00 0.00 H ATOM 42 N GLY A 4 1.662 3.517 -2.164 1.00 0.00 N ATOM 43 CA GLY A 4 1.569 3.797 -0.707 1.00 0.00 C ATOM 44 C GLY A 4 0.365 3.044 -0.154 1.00 0.00 C ATOM 45 O GLY A 4 0.431 2.424 0.889 1.00 0.00 O ATOM 46 H GLY A 4 1.410 4.207 -2.813 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.471 3.462 -0.214 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.436 4.856 -0.547 1.00 0.00 H ATOM 49 N ARG A 5 -0.734 3.077 -0.857 1.00 0.00 N ATOM 50 CA ARG A 5 -1.936 2.342 -0.383 1.00 0.00 C ATOM 51 C ARG A 5 -1.629 0.845 -0.370 1.00 0.00 C ATOM 52 O ARG A 5 -1.993 0.131 0.543 1.00 0.00 O ATOM 53 CB ARG A 5 -3.033 2.660 -1.400 1.00 0.00 C ATOM 54 CG ARG A 5 -4.390 2.231 -0.839 1.00 0.00 C ATOM 55 CD ARG A 5 -4.720 3.077 0.393 1.00 0.00 C ATOM 56 NE ARG A 5 -6.100 3.581 0.156 1.00 0.00 N ATOM 57 CZ ARG A 5 -7.077 3.196 0.929 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.460 1.948 0.921 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.670 4.057 1.710 1.00 0.00 N ATOM 60 H ARG A 5 -0.762 3.573 -1.706 1.00 0.00 H ATOM 61 HA ARG A 5 -2.227 2.680 0.599 1.00 0.00 H ATOM 62 HB2 ARG A 5 -3.043 3.722 -1.598 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.840 2.123 -2.317 1.00 0.00 H ATOM 64 HG2 ARG A 5 -5.153 2.376 -1.592 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.352 1.189 -0.559 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.687 2.467 1.285 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.033 3.905 0.476 1.00 0.00 H ATOM 68 HE ARG A 5 -6.276 4.199 -0.583 1.00 0.00 H ATOM 69 HH11 ARG A 5 -7.004 1.290 0.322 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.209 1.652 1.513 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.375 5.012 1.716 1.00 0.00 H ATOM 72 HH22 ARG A 5 -8.420 3.761 2.303 1.00 0.00 H ATOM 73 N GLN A 6 -0.946 0.369 -1.376 1.00 0.00 N ATOM 74 CA GLN A 6 -0.594 -1.076 -1.421 1.00 0.00 C ATOM 75 C GLN A 6 0.258 -1.425 -0.201 1.00 0.00 C ATOM 76 O GLN A 6 -0.069 -2.309 0.565 1.00 0.00 O ATOM 77 CB GLN A 6 0.210 -1.254 -2.710 1.00 0.00 C ATOM 78 CG GLN A 6 0.139 -2.715 -3.163 1.00 0.00 C ATOM 79 CD GLN A 6 1.412 -3.071 -3.932 1.00 0.00 C ATOM 80 OE1 GLN A 6 1.967 -2.244 -4.626 1.00 0.00 O ATOM 81 NE2 GLN A 6 1.902 -4.278 -3.838 1.00 0.00 N ATOM 82 H GLN A 6 -0.653 0.967 -2.096 1.00 0.00 H ATOM 83 HA GLN A 6 -1.485 -1.684 -1.449 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.203 -0.618 -3.481 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.240 -0.984 -2.532 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.048 -3.357 -2.298 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.717 -2.852 -3.805 1.00 0.00 H ATOM 88 HE21 GLN A 6 1.456 -4.946 -3.277 1.00 0.00 H ATOM 89 HE22 GLN A 6 2.717 -4.516 -4.328 1.00 0.00 H ATOM 90 N LEU A 7 1.342 -0.723 -0.003 1.00 0.00 N ATOM 91 CA LEU A 7 2.196 -1.012 1.182 1.00 0.00 C ATOM 92 C LEU A 7 1.347 -0.921 2.447 1.00 0.00 C ATOM 93 O LEU A 7 1.512 -1.684 3.378 1.00 0.00 O ATOM 94 CB LEU A 7 3.274 0.072 1.176 1.00 0.00 C ATOM 95 CG LEU A 7 4.654 -0.584 1.193 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.731 0.481 0.979 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.875 -1.268 2.544 1.00 0.00 C ATOM 98 H LEU A 7 1.586 -0.003 -0.625 1.00 0.00 H ATOM 99 HA LEU A 7 2.646 -1.987 1.096 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.173 0.678 0.287 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.164 0.695 2.050 1.00 0.00 H ATOM 102 HG LEU A 7 4.712 -1.319 0.402 1.00 0.00 H ATOM 103 HD11 LEU A 7 6.494 0.377 1.735 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.285 1.462 1.049 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.173 0.355 0.002 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.255 -0.795 3.292 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.912 -1.179 2.828 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.612 -2.313 2.467 1.00 0.00 H ATOM 109 N GLU A 8 0.422 0.000 2.479 1.00 0.00 N ATOM 110 CA GLU A 8 -0.455 0.132 3.673 1.00 0.00 C ATOM 111 C GLU A 8 -1.347 -1.102 3.775 1.00 0.00 C ATOM 112 O GLU A 8 -1.759 -1.504 4.845 1.00 0.00 O ATOM 113 CB GLU A 8 -1.296 1.383 3.415 1.00 0.00 C ATOM 114 CG GLU A 8 -0.694 2.573 4.164 1.00 0.00 C ATOM 115 CD GLU A 8 0.620 2.985 3.497 1.00 0.00 C ATOM 116 OE1 GLU A 8 1.420 2.108 3.218 1.00 0.00 O ATOM 117 OE2 GLU A 8 0.802 4.169 3.273 1.00 0.00 O ATOM 118 H GLU A 8 0.298 0.594 1.710 1.00 0.00 H ATOM 119 HA GLU A 8 0.134 0.251 4.566 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.308 1.595 2.356 1.00 0.00 H ATOM 121 HB3 GLU A 8 -2.305 1.215 3.761 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.389 3.401 4.138 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.504 2.295 5.190 1.00 0.00 H ATOM 124 N GLU A 9 -1.634 -1.714 2.660 1.00 0.00 N ATOM 125 CA GLU A 9 -2.485 -2.934 2.676 1.00 0.00 C ATOM 126 C GLU A 9 -1.617 -4.145 3.017 1.00 0.00 C ATOM 127 O GLU A 9 -2.099 -5.163 3.472 1.00 0.00 O ATOM 128 CB GLU A 9 -3.048 -3.042 1.256 1.00 0.00 C ATOM 129 CG GLU A 9 -3.504 -4.477 0.983 1.00 0.00 C ATOM 130 CD GLU A 9 -3.890 -4.617 -0.490 1.00 0.00 C ATOM 131 OE1 GLU A 9 -3.265 -3.965 -1.311 1.00 0.00 O ATOM 132 OE2 GLU A 9 -4.802 -5.375 -0.774 1.00 0.00 O ATOM 133 H GLU A 9 -1.278 -1.375 1.810 1.00 0.00 H ATOM 134 HA GLU A 9 -3.287 -2.828 3.389 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.890 -2.370 1.154 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.282 -2.768 0.546 1.00 0.00 H ATOM 137 HG2 GLU A 9 -2.699 -5.161 1.212 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.358 -4.707 1.600 1.00 0.00 H ATOM 139 N PHE A 10 -0.335 -4.029 2.810 1.00 0.00 N ATOM 140 CA PHE A 10 0.584 -5.157 3.131 1.00 0.00 C ATOM 141 C PHE A 10 1.270 -4.897 4.474 1.00 0.00 C ATOM 142 O PHE A 10 1.935 -5.762 5.006 1.00 0.00 O ATOM 143 CB PHE A 10 1.609 -5.176 1.994 1.00 0.00 C ATOM 144 CG PHE A 10 1.501 -6.479 1.237 1.00 0.00 C ATOM 145 CD1 PHE A 10 0.256 -7.099 1.083 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.649 -7.070 0.695 1.00 0.00 C ATOM 147 CE1 PHE A 10 0.157 -8.309 0.385 1.00 0.00 C ATOM 148 CE2 PHE A 10 2.551 -8.279 -0.003 1.00 0.00 C ATOM 149 CZ PHE A 10 1.304 -8.900 -0.157 1.00 0.00 C ATOM 150 H PHE A 10 0.028 -3.190 2.453 1.00 0.00 H ATOM 151 HA PHE A 10 0.042 -6.088 3.160 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.416 -4.352 1.322 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.603 -5.080 2.404 1.00 0.00 H ATOM 154 HD1 PHE A 10 -0.630 -6.644 1.501 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.610 -6.592 0.813 1.00 0.00 H ATOM 156 HE1 PHE A 10 -0.804 -8.786 0.266 1.00 0.00 H ATOM 157 HE2 PHE A 10 3.436 -8.735 -0.422 1.00 0.00 H ATOM 158 HZ PHE A 10 1.228 -9.833 -0.695 1.00 0.00 H ATOM 159 N LEU A 11 1.101 -3.702 5.008 1.00 0.00 N ATOM 160 CA LEU A 11 1.720 -3.314 6.325 1.00 0.00 C ATOM 161 C LEU A 11 2.667 -4.391 6.860 1.00 0.00 C ATOM 162 O LEU A 11 2.417 -4.987 7.888 1.00 0.00 O ATOM 163 CB LEU A 11 0.538 -3.128 7.276 1.00 0.00 C ATOM 164 CG LEU A 11 -0.395 -4.335 7.180 1.00 0.00 C ATOM 165 CD1 LEU A 11 -0.381 -5.096 8.507 1.00 0.00 C ATOM 166 CD2 LEU A 11 -1.817 -3.857 6.882 1.00 0.00 C ATOM 167 H LEU A 11 0.552 -3.044 4.534 1.00 0.00 H ATOM 168 HA LEU A 11 2.247 -2.378 6.222 1.00 0.00 H ATOM 169 HB2 LEU A 11 0.903 -3.035 8.289 1.00 0.00 H ATOM 170 HB3 LEU A 11 -0.005 -2.235 7.007 1.00 0.00 H ATOM 171 HG LEU A 11 -0.058 -4.988 6.389 1.00 0.00 H ATOM 172 HD11 LEU A 11 0.547 -4.901 9.024 1.00 0.00 H ATOM 173 HD12 LEU A 11 -0.472 -6.154 8.315 1.00 0.00 H ATOM 174 HD13 LEU A 11 -1.210 -4.767 9.117 1.00 0.00 H ATOM 175 HD21 LEU A 11 -2.040 -4.022 5.838 1.00 0.00 H ATOM 176 HD22 LEU A 11 -1.895 -2.802 7.104 1.00 0.00 H ATOM 177 HD23 LEU A 11 -2.518 -4.405 7.493 1.00 0.00 H HETATM 178 N NH2 A 12 3.757 -4.669 6.197 1.00 0.00 N HETATM 179 HN1 NH2 A 12 3.960 -4.189 5.367 1.00 0.00 H HETATM 180 HN2 NH2 A 12 4.371 -5.356 6.529 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 53 HETATM 1 C ACE A 1 -0.752 5.785 -3.922 1.00 0.00 C HETATM 2 O ACE A 1 -1.210 5.218 -2.948 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.306 7.248 -3.854 1.00 0.00 C HETATM 4 H1 ACE A 1 0.771 7.299 -3.923 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.629 7.679 -2.918 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.745 7.796 -4.674 1.00 0.00 H ATOM 7 N LEU A 2 -0.625 5.170 -5.066 1.00 0.00 N ATOM 8 CA LEU A 2 -1.046 3.747 -5.199 1.00 0.00 C ATOM 9 C LEU A 2 0.002 2.824 -4.577 1.00 0.00 C ATOM 10 O LEU A 2 -0.322 1.835 -3.950 1.00 0.00 O ATOM 11 CB LEU A 2 -1.153 3.504 -6.704 1.00 0.00 C ATOM 12 CG LEU A 2 -2.604 3.185 -7.067 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.929 3.770 -8.443 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.797 1.667 -7.102 1.00 0.00 C ATOM 15 H LEU A 2 -0.254 5.646 -5.839 1.00 0.00 H ATOM 16 HA LEU A 2 -2.001 3.594 -4.730 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.835 4.390 -7.234 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.523 2.671 -6.981 1.00 0.00 H ATOM 19 HG LEU A 2 -3.263 3.617 -6.328 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.139 3.519 -9.136 1.00 0.00 H ATOM 21 HD12 LEU A 2 -3.012 4.844 -8.368 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.862 3.360 -8.799 1.00 0.00 H ATOM 23 HD21 LEU A 2 -2.547 1.249 -6.138 1.00 0.00 H ATOM 24 HD22 LEU A 2 -2.156 1.240 -7.857 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.828 1.441 -7.335 1.00 0.00 H ATOM 26 N VAL A 3 1.254 3.141 -4.736 1.00 0.00 N ATOM 27 CA VAL A 3 2.310 2.278 -4.141 1.00 0.00 C ATOM 28 C VAL A 3 2.253 2.399 -2.618 1.00 0.00 C ATOM 29 O VAL A 3 2.596 1.483 -1.890 1.00 0.00 O ATOM 30 CB VAL A 3 3.634 2.829 -4.681 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.729 1.775 -4.508 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.488 3.164 -6.170 1.00 0.00 C ATOM 33 H VAL A 3 1.498 3.947 -5.238 1.00 0.00 H ATOM 34 HA VAL A 3 2.180 1.252 -4.446 1.00 0.00 H ATOM 35 HB VAL A 3 3.903 3.720 -4.133 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.082 1.785 -3.487 1.00 0.00 H ATOM 37 HG12 VAL A 3 5.549 1.997 -5.176 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.330 0.800 -4.742 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.317 2.741 -6.718 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.482 4.236 -6.300 1.00 0.00 H ATOM 41 HG23 VAL A 3 2.561 2.753 -6.543 1.00 0.00 H ATOM 42 N GLY A 4 1.796 3.523 -2.136 1.00 0.00 N ATOM 43 CA GLY A 4 1.694 3.720 -0.665 1.00 0.00 C ATOM 44 C GLY A 4 0.453 2.991 -0.161 1.00 0.00 C ATOM 45 O GLY A 4 0.510 2.219 0.774 1.00 0.00 O ATOM 46 H GLY A 4 1.504 4.234 -2.746 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.574 3.318 -0.183 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.606 4.772 -0.444 1.00 0.00 H ATOM 49 N ARG A 5 -0.670 3.219 -0.785 1.00 0.00 N ATOM 50 CA ARG A 5 -1.910 2.521 -0.345 1.00 0.00 C ATOM 51 C ARG A 5 -1.647 1.015 -0.308 1.00 0.00 C ATOM 52 O ARG A 5 -1.959 0.339 0.655 1.00 0.00 O ATOM 53 CB ARG A 5 -2.960 2.870 -1.400 1.00 0.00 C ATOM 54 CG ARG A 5 -3.304 4.357 -1.298 1.00 0.00 C ATOM 55 CD ARG A 5 -4.380 4.558 -0.229 1.00 0.00 C ATOM 56 NE ARG A 5 -5.200 5.703 -0.718 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.200 5.492 -1.531 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.982 4.463 -1.349 1.00 0.00 N ATOM 59 NH2 ARG A 5 -6.417 6.308 -2.525 1.00 0.00 N ATOM 60 H ARG A 5 -0.695 3.839 -1.548 1.00 0.00 H ATOM 61 HA ARG A 5 -2.222 2.878 0.625 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.568 2.655 -2.385 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.850 2.284 -1.230 1.00 0.00 H ATOM 64 HG2 ARG A 5 -2.418 4.913 -1.026 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.674 4.709 -2.249 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.988 3.669 -0.136 1.00 0.00 H ATOM 67 HD3 ARG A 5 -3.928 4.807 0.718 1.00 0.00 H ATOM 68 HE ARG A 5 -4.990 6.615 -0.427 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.814 3.836 -0.588 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.749 4.302 -1.970 1.00 0.00 H ATOM 71 HH21 ARG A 5 -5.819 7.096 -2.666 1.00 0.00 H ATOM 72 HH22 ARG A 5 -7.183 6.146 -3.147 1.00 0.00 H ATOM 73 N GLN A 6 -1.056 0.489 -1.346 1.00 0.00 N ATOM 74 CA GLN A 6 -0.751 -0.967 -1.367 1.00 0.00 C ATOM 75 C GLN A 6 0.170 -1.304 -0.195 1.00 0.00 C ATOM 76 O GLN A 6 -0.135 -2.148 0.626 1.00 0.00 O ATOM 77 CB GLN A 6 -0.039 -1.210 -2.699 1.00 0.00 C ATOM 78 CG GLN A 6 0.119 -2.716 -2.926 1.00 0.00 C ATOM 79 CD GLN A 6 0.303 -2.994 -4.420 1.00 0.00 C ATOM 80 OE1 GLN A 6 -0.139 -4.010 -4.919 1.00 0.00 O ATOM 81 NE2 GLN A 6 0.944 -2.130 -5.161 1.00 0.00 N ATOM 82 H GLN A 6 -0.801 1.056 -2.105 1.00 0.00 H ATOM 83 HA GLN A 6 -1.659 -1.546 -1.316 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.623 -0.784 -3.502 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.935 -0.747 -2.677 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.983 -3.073 -2.383 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.763 -3.227 -2.575 1.00 0.00 H ATOM 88 HE21 GLN A 6 1.300 -1.310 -4.760 1.00 0.00 H ATOM 89 HE22 GLN A 6 1.071 -2.302 -6.118 1.00 0.00 H ATOM 90 N LEU A 7 1.292 -0.644 -0.098 1.00 0.00 N ATOM 91 CA LEU A 7 2.211 -0.932 1.036 1.00 0.00 C ATOM 92 C LEU A 7 1.419 -0.955 2.345 1.00 0.00 C ATOM 93 O LEU A 7 1.592 -1.827 3.176 1.00 0.00 O ATOM 94 CB LEU A 7 3.217 0.218 1.036 1.00 0.00 C ATOM 95 CG LEU A 7 4.462 -0.198 1.816 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.711 0.266 1.066 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.431 0.448 3.203 1.00 0.00 C ATOM 98 H LEU A 7 1.526 0.045 -0.764 1.00 0.00 H ATOM 99 HA LEU A 7 2.717 -1.871 0.884 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.491 0.458 0.019 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.775 1.084 1.504 1.00 0.00 H ATOM 102 HG LEU A 7 4.481 -1.274 1.918 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.703 -0.145 0.067 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.592 -0.074 1.589 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.719 1.345 1.011 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.316 1.049 3.341 1.00 0.00 H ATOM 107 HD22 LEU A 7 4.396 -0.324 3.958 1.00 0.00 H ATOM 108 HD23 LEU A 7 3.554 1.074 3.290 1.00 0.00 H ATOM 109 N GLU A 8 0.536 -0.013 2.525 1.00 0.00 N ATOM 110 CA GLU A 8 -0.277 0.011 3.768 1.00 0.00 C ATOM 111 C GLU A 8 -1.187 -1.210 3.784 1.00 0.00 C ATOM 112 O GLU A 8 -1.571 -1.703 4.827 1.00 0.00 O ATOM 113 CB GLU A 8 -1.097 1.302 3.692 1.00 0.00 C ATOM 114 CG GLU A 8 -2.094 1.344 4.852 1.00 0.00 C ATOM 115 CD GLU A 8 -3.376 2.048 4.400 1.00 0.00 C ATOM 116 OE1 GLU A 8 -3.630 2.063 3.208 1.00 0.00 O ATOM 117 OE2 GLU A 8 -4.081 2.559 5.256 1.00 0.00 O ATOM 118 H GLU A 8 0.401 0.669 1.838 1.00 0.00 H ATOM 119 HA GLU A 8 0.359 0.021 4.638 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.434 2.153 3.754 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.636 1.332 2.757 1.00 0.00 H ATOM 122 HG2 GLU A 8 -2.326 0.336 5.164 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.661 1.886 5.679 1.00 0.00 H ATOM 124 N GLU A 9 -1.519 -1.713 2.628 1.00 0.00 N ATOM 125 CA GLU A 9 -2.389 -2.919 2.568 1.00 0.00 C ATOM 126 C GLU A 9 -1.587 -4.137 3.016 1.00 0.00 C ATOM 127 O GLU A 9 -2.120 -5.086 3.556 1.00 0.00 O ATOM 128 CB GLU A 9 -2.795 -3.055 1.100 1.00 0.00 C ATOM 129 CG GLU A 9 -3.754 -4.235 0.942 1.00 0.00 C ATOM 130 CD GLU A 9 -5.165 -3.800 1.334 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.358 -2.616 1.558 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.030 -4.658 1.404 1.00 0.00 O ATOM 133 H GLU A 9 -1.184 -1.305 1.800 1.00 0.00 H ATOM 134 HA GLU A 9 -3.261 -2.790 3.188 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.281 -2.147 0.775 1.00 0.00 H ATOM 136 HB3 GLU A 9 -1.915 -3.228 0.499 1.00 0.00 H ATOM 137 HG2 GLU A 9 -3.750 -4.566 -0.086 1.00 0.00 H ATOM 138 HG3 GLU A 9 -3.438 -5.045 1.583 1.00 0.00 H ATOM 139 N PHE A 10 -0.300 -4.108 2.806 1.00 0.00 N ATOM 140 CA PHE A 10 0.546 -5.258 3.232 1.00 0.00 C ATOM 141 C PHE A 10 1.127 -4.979 4.619 1.00 0.00 C ATOM 142 O PHE A 10 1.692 -5.847 5.255 1.00 0.00 O ATOM 143 CB PHE A 10 1.657 -5.355 2.186 1.00 0.00 C ATOM 144 CG PHE A 10 1.913 -6.806 1.860 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.920 -7.761 2.885 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.138 -7.199 0.536 1.00 0.00 C ATOM 147 CE1 PHE A 10 2.152 -9.108 2.585 1.00 0.00 C ATOM 148 CE2 PHE A 10 2.371 -8.546 0.236 1.00 0.00 C ATOM 149 CZ PHE A 10 2.378 -9.502 1.260 1.00 0.00 C ATOM 150 H PHE A 10 0.112 -3.323 2.379 1.00 0.00 H ATOM 151 HA PHE A 10 -0.034 -6.168 3.241 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.357 -4.831 1.290 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.560 -4.911 2.576 1.00 0.00 H ATOM 154 HD1 PHE A 10 1.747 -7.457 3.907 1.00 0.00 H ATOM 155 HD2 PHE A 10 2.133 -6.464 -0.254 1.00 0.00 H ATOM 156 HE1 PHE A 10 2.158 -9.845 3.374 1.00 0.00 H ATOM 157 HE2 PHE A 10 2.544 -8.850 -0.786 1.00 0.00 H ATOM 158 HZ PHE A 10 2.556 -10.541 1.029 1.00 0.00 H ATOM 159 N LEU A 11 0.989 -3.769 5.093 1.00 0.00 N ATOM 160 CA LEU A 11 1.530 -3.429 6.441 1.00 0.00 C ATOM 161 C LEU A 11 0.386 -3.261 7.444 1.00 0.00 C ATOM 162 O LEU A 11 0.556 -2.666 8.490 1.00 0.00 O ATOM 163 CB LEU A 11 2.272 -2.107 6.244 1.00 0.00 C ATOM 164 CG LEU A 11 3.104 -1.797 7.487 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.553 -1.531 7.077 1.00 0.00 C ATOM 166 CD2 LEU A 11 2.537 -0.559 8.182 1.00 0.00 C ATOM 167 H LEU A 11 0.527 -3.084 4.562 1.00 0.00 H ATOM 168 HA LEU A 11 2.217 -4.191 6.774 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.923 -2.184 5.386 1.00 0.00 H ATOM 170 HB3 LEU A 11 1.558 -1.313 6.085 1.00 0.00 H ATOM 171 HG LEU A 11 3.070 -2.639 8.163 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.995 -0.817 7.756 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.574 -1.133 6.073 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.112 -2.453 7.110 1.00 0.00 H ATOM 175 HD21 LEU A 11 2.209 -0.821 9.177 1.00 0.00 H ATOM 176 HD22 LEU A 11 1.698 -0.180 7.615 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.301 0.202 8.243 1.00 0.00 H HETATM 178 N NH2 A 12 -0.784 -3.769 7.167 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.923 -4.248 6.325 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -1.524 -3.669 7.802 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 54 HETATM 1 C ACE A 1 -0.428 5.894 -3.926 1.00 0.00 C HETATM 2 O ACE A 1 -0.625 5.292 -2.886 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.199 7.290 -3.930 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.293 7.904 -4.669 1.00 0.00 H HETATM 5 H2 ACE A 1 1.250 7.212 -4.168 1.00 0.00 H HETATM 6 H3 ACE A 1 0.085 7.738 -2.953 1.00 0.00 H ATOM 7 N LEU A 2 -0.733 5.364 -5.080 1.00 0.00 N ATOM 8 CA LEU A 2 -1.333 4.004 -5.127 1.00 0.00 C ATOM 9 C LEU A 2 -0.330 3.004 -4.569 1.00 0.00 C ATOM 10 O LEU A 2 -0.687 2.023 -3.947 1.00 0.00 O ATOM 11 CB LEU A 2 -1.613 3.732 -6.606 1.00 0.00 C ATOM 12 CG LEU A 2 -2.627 2.595 -6.731 1.00 0.00 C ATOM 13 CD1 LEU A 2 -4.045 3.164 -6.654 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.434 1.887 -8.075 1.00 0.00 C ATOM 15 H LEU A 2 -0.555 5.853 -5.908 1.00 0.00 H ATOM 16 HA LEU A 2 -2.249 3.977 -4.561 1.00 0.00 H ATOM 17 HB2 LEU A 2 -2.012 4.625 -7.067 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.696 3.451 -7.100 1.00 0.00 H ATOM 19 HG LEU A 2 -2.479 1.890 -5.927 1.00 0.00 H ATOM 20 HD11 LEU A 2 -4.753 2.356 -6.547 1.00 0.00 H ATOM 21 HD12 LEU A 2 -4.262 3.716 -7.556 1.00 0.00 H ATOM 22 HD13 LEU A 2 -4.121 3.824 -5.801 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.187 1.121 -8.190 1.00 0.00 H ATOM 24 HD22 LEU A 2 -1.453 1.436 -8.106 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.526 2.606 -8.877 1.00 0.00 H ATOM 26 N VAL A 3 0.930 3.263 -4.769 1.00 0.00 N ATOM 27 CA VAL A 3 1.970 2.345 -4.229 1.00 0.00 C ATOM 28 C VAL A 3 1.948 2.427 -2.704 1.00 0.00 C ATOM 29 O VAL A 3 2.219 1.464 -2.009 1.00 0.00 O ATOM 30 CB VAL A 3 3.293 2.871 -4.787 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.443 1.997 -4.285 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.252 2.829 -6.317 1.00 0.00 C ATOM 33 H VAL A 3 1.192 4.073 -5.258 1.00 0.00 H ATOM 34 HA VAL A 3 1.796 1.334 -4.562 1.00 0.00 H ATOM 35 HB VAL A 3 3.444 3.889 -4.457 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.370 1.887 -3.213 1.00 0.00 H ATOM 37 HG12 VAL A 3 5.384 2.463 -4.536 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.387 1.024 -4.752 1.00 0.00 H ATOM 39 HG21 VAL A 3 2.537 3.553 -6.678 1.00 0.00 H ATOM 40 HG22 VAL A 3 2.960 1.841 -6.641 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.231 3.062 -6.709 1.00 0.00 H ATOM 42 N GLY A 4 1.599 3.571 -2.184 1.00 0.00 N ATOM 43 CA GLY A 4 1.528 3.728 -0.707 1.00 0.00 C ATOM 44 C GLY A 4 0.305 2.966 -0.211 1.00 0.00 C ATOM 45 O GLY A 4 0.337 2.317 0.813 1.00 0.00 O ATOM 46 H GLY A 4 1.363 4.321 -2.768 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.422 3.323 -0.254 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.428 4.772 -0.454 1.00 0.00 H ATOM 49 N ARG A 5 -0.768 3.025 -0.949 1.00 0.00 N ATOM 50 CA ARG A 5 -1.990 2.281 -0.537 1.00 0.00 C ATOM 51 C ARG A 5 -1.666 0.788 -0.478 1.00 0.00 C ATOM 52 O ARG A 5 -2.032 0.092 0.450 1.00 0.00 O ATOM 53 CB ARG A 5 -3.014 2.564 -1.634 1.00 0.00 C ATOM 54 CG ARG A 5 -4.399 2.735 -1.011 1.00 0.00 C ATOM 55 CD ARG A 5 -5.015 1.359 -0.753 1.00 0.00 C ATOM 56 NE ARG A 5 -6.054 1.596 0.286 1.00 0.00 N ATOM 57 CZ ARG A 5 -7.159 0.903 0.277 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.192 -0.266 -0.304 1.00 0.00 N ATOM 59 NH2 ARG A 5 -8.231 1.379 0.848 1.00 0.00 N ATOM 60 H ARG A 5 -0.766 3.545 -1.783 1.00 0.00 H ATOM 61 HA ARG A 5 -2.351 2.634 0.416 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.738 3.469 -2.157 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.033 1.738 -2.330 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.310 3.272 -0.079 1.00 0.00 H ATOM 65 HG3 ARG A 5 -5.032 3.288 -1.688 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.466 0.973 -1.658 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.269 0.674 -0.382 1.00 0.00 H ATOM 68 HE ARG A 5 -5.907 2.274 0.979 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.370 -0.629 -0.743 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.038 -0.797 -0.312 1.00 0.00 H ATOM 71 HH21 ARG A 5 -8.206 2.274 1.292 1.00 0.00 H ATOM 72 HH22 ARG A 5 -9.079 0.848 0.841 1.00 0.00 H ATOM 73 N GLN A 6 -0.965 0.296 -1.464 1.00 0.00 N ATOM 74 CA GLN A 6 -0.599 -1.147 -1.472 1.00 0.00 C ATOM 75 C GLN A 6 0.289 -1.460 -0.265 1.00 0.00 C ATOM 76 O GLN A 6 0.016 -2.362 0.500 1.00 0.00 O ATOM 77 CB GLN A 6 0.168 -1.356 -2.779 1.00 0.00 C ATOM 78 CG GLN A 6 0.812 -2.744 -2.780 1.00 0.00 C ATOM 79 CD GLN A 6 2.311 -2.615 -3.063 1.00 0.00 C ATOM 80 OE1 GLN A 6 2.709 -1.938 -3.990 1.00 0.00 O ATOM 81 NE2 GLN A 6 3.163 -3.243 -2.299 1.00 0.00 N ATOM 82 H GLN A 6 -0.673 0.881 -2.195 1.00 0.00 H ATOM 83 HA GLN A 6 -1.484 -1.762 -1.460 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.514 -1.274 -3.612 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.937 -0.604 -2.869 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.666 -3.208 -1.815 1.00 0.00 H ATOM 87 HG3 GLN A 6 0.355 -3.353 -3.545 1.00 0.00 H ATOM 88 HE21 GLN A 6 2.841 -3.793 -1.555 1.00 0.00 H ATOM 89 HE22 GLN A 6 4.124 -3.165 -2.471 1.00 0.00 H ATOM 90 N LEU A 7 1.347 -0.714 -0.082 1.00 0.00 N ATOM 91 CA LEU A 7 2.240 -0.971 1.086 1.00 0.00 C ATOM 92 C LEU A 7 1.427 -0.888 2.380 1.00 0.00 C ATOM 93 O LEU A 7 1.567 -1.704 3.276 1.00 0.00 O ATOM 94 CB LEU A 7 3.292 0.139 1.038 1.00 0.00 C ATOM 95 CG LEU A 7 4.622 -0.439 0.554 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.839 -0.061 -0.913 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.762 0.132 1.399 1.00 0.00 C ATOM 98 H LEU A 7 1.551 0.017 -0.707 1.00 0.00 H ATOM 99 HA LEU A 7 2.710 -1.936 0.997 1.00 0.00 H ATOM 100 HB2 LEU A 7 2.966 0.913 0.358 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.421 0.557 2.024 1.00 0.00 H ATOM 102 HG LEU A 7 4.602 -1.515 0.649 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.278 -0.895 -1.438 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.502 0.790 -0.970 1.00 0.00 H ATOM 105 HD13 LEU A 7 3.891 0.190 -1.365 1.00 0.00 H ATOM 106 HD21 LEU A 7 6.235 0.943 0.865 1.00 0.00 H ATOM 107 HD22 LEU A 7 6.490 -0.643 1.592 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.369 0.499 2.335 1.00 0.00 H ATOM 109 N GLU A 8 0.559 0.081 2.476 1.00 0.00 N ATOM 110 CA GLU A 8 -0.278 0.206 3.696 1.00 0.00 C ATOM 111 C GLU A 8 -1.126 -1.051 3.832 1.00 0.00 C ATOM 112 O GLU A 8 -1.449 -1.488 4.918 1.00 0.00 O ATOM 113 CB GLU A 8 -1.158 1.434 3.457 1.00 0.00 C ATOM 114 CG GLU A 8 -0.786 2.531 4.455 1.00 0.00 C ATOM 115 CD GLU A 8 -0.805 1.957 5.873 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.863 1.966 6.480 1.00 0.00 O ATOM 117 OE2 GLU A 8 0.240 1.518 6.328 1.00 0.00 O ATOM 118 H GLU A 8 0.446 0.711 1.739 1.00 0.00 H ATOM 119 HA GLU A 8 0.339 0.349 4.569 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.006 1.794 2.450 1.00 0.00 H ATOM 121 HB3 GLU A 8 -2.195 1.164 3.590 1.00 0.00 H ATOM 122 HG2 GLU A 8 0.203 2.903 4.228 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.500 3.338 4.386 1.00 0.00 H ATOM 124 N GLU A 9 -1.466 -1.648 2.724 1.00 0.00 N ATOM 125 CA GLU A 9 -2.272 -2.898 2.773 1.00 0.00 C ATOM 126 C GLU A 9 -1.349 -4.067 3.102 1.00 0.00 C ATOM 127 O GLU A 9 -1.769 -5.092 3.601 1.00 0.00 O ATOM 128 CB GLU A 9 -2.868 -3.048 1.373 1.00 0.00 C ATOM 129 CG GLU A 9 -3.707 -4.326 1.306 1.00 0.00 C ATOM 130 CD GLU A 9 -2.907 -5.423 0.604 1.00 0.00 C ATOM 131 OE1 GLU A 9 -1.798 -5.141 0.178 1.00 0.00 O ATOM 132 OE2 GLU A 9 -3.415 -6.527 0.501 1.00 0.00 O ATOM 133 H GLU A 9 -1.175 -1.280 1.860 1.00 0.00 H ATOM 134 HA GLU A 9 -3.054 -2.814 3.509 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.493 -2.193 1.155 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.070 -3.105 0.646 1.00 0.00 H ATOM 137 HG2 GLU A 9 -3.958 -4.644 2.307 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.614 -4.132 0.751 1.00 0.00 H ATOM 139 N PHE A 10 -0.083 -3.903 2.839 1.00 0.00 N ATOM 140 CA PHE A 10 0.894 -4.980 3.148 1.00 0.00 C ATOM 141 C PHE A 10 1.140 -5.015 4.655 1.00 0.00 C ATOM 142 O PHE A 10 1.418 -6.049 5.232 1.00 0.00 O ATOM 143 CB PHE A 10 2.168 -4.574 2.407 1.00 0.00 C ATOM 144 CG PHE A 10 2.779 -5.781 1.741 1.00 0.00 C ATOM 145 CD1 PHE A 10 2.191 -6.317 0.590 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.938 -6.361 2.271 1.00 0.00 C ATOM 147 CE1 PHE A 10 2.761 -7.435 -0.032 1.00 0.00 C ATOM 148 CE2 PHE A 10 4.508 -7.478 1.649 1.00 0.00 C ATOM 149 CZ PHE A 10 3.920 -8.015 0.498 1.00 0.00 C ATOM 150 H PHE A 10 0.230 -3.058 2.452 1.00 0.00 H ATOM 151 HA PHE A 10 0.540 -5.935 2.793 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.926 -3.835 1.658 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.874 -4.156 3.109 1.00 0.00 H ATOM 154 HD1 PHE A 10 1.297 -5.869 0.182 1.00 0.00 H ATOM 155 HD2 PHE A 10 4.391 -5.947 3.159 1.00 0.00 H ATOM 156 HE1 PHE A 10 2.307 -7.849 -0.919 1.00 0.00 H ATOM 157 HE2 PHE A 10 5.402 -7.925 2.057 1.00 0.00 H ATOM 158 HZ PHE A 10 4.361 -8.876 0.018 1.00 0.00 H ATOM 159 N LEU A 11 1.034 -3.883 5.297 1.00 0.00 N ATOM 160 CA LEU A 11 1.255 -3.839 6.772 1.00 0.00 C ATOM 161 C LEU A 11 -0.059 -3.529 7.494 1.00 0.00 C ATOM 162 O LEU A 11 -1.109 -3.482 6.884 1.00 0.00 O ATOM 163 CB LEU A 11 2.266 -2.712 6.990 1.00 0.00 C ATOM 164 CG LEU A 11 3.302 -3.152 8.026 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.450 -3.880 7.323 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.850 -1.923 8.755 1.00 0.00 C ATOM 167 H LEU A 11 0.803 -3.061 4.807 1.00 0.00 H ATOM 168 HA LEU A 11 1.664 -4.773 7.119 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.761 -2.487 6.056 1.00 0.00 H ATOM 170 HB3 LEU A 11 1.754 -1.832 7.349 1.00 0.00 H ATOM 171 HG LEU A 11 2.837 -3.818 8.737 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.568 -3.486 6.323 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.229 -4.936 7.271 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.365 -3.731 7.879 1.00 0.00 H ATOM 175 HD21 LEU A 11 4.927 -1.919 8.695 1.00 0.00 H ATOM 176 HD22 LEU A 11 3.546 -1.955 9.791 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.460 -1.027 8.293 1.00 0.00 H HETATM 178 N NH2 A 12 -0.046 -3.313 8.780 1.00 0.00 N HETATM 179 HN1 NH2 A 12 0.799 -3.352 9.275 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.881 -3.114 9.253 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 55 HETATM 1 C ACE A 1 -0.831 5.776 -3.854 1.00 0.00 C HETATM 2 O ACE A 1 -1.279 5.164 -2.903 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.399 7.240 -3.727 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.375 7.519 -2.683 1.00 0.00 H HETATM 5 H2 ACE A 1 -1.102 7.871 -4.250 1.00 0.00 H HETATM 6 H3 ACE A 1 0.584 7.364 -4.157 1.00 0.00 H ATOM 7 N LEU A 2 -0.696 5.206 -5.022 1.00 0.00 N ATOM 8 CA LEU A 2 -1.096 3.783 -5.209 1.00 0.00 C ATOM 9 C LEU A 2 -0.071 2.866 -4.544 1.00 0.00 C ATOM 10 O LEU A 2 -0.416 1.923 -3.862 1.00 0.00 O ATOM 11 CB LEU A 2 -1.111 3.567 -6.721 1.00 0.00 C ATOM 12 CG LEU A 2 -2.031 4.596 -7.376 1.00 0.00 C ATOM 13 CD1 LEU A 2 -1.361 5.150 -8.635 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.354 3.930 -7.756 1.00 0.00 C ATOM 15 H LEU A 2 -0.325 5.712 -5.776 1.00 0.00 H ATOM 16 HA LEU A 2 -2.078 3.610 -4.801 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.110 3.678 -7.110 1.00 0.00 H ATOM 18 HB3 LEU A 2 -1.474 2.574 -6.939 1.00 0.00 H ATOM 19 HG LEU A 2 -2.217 5.405 -6.684 1.00 0.00 H ATOM 20 HD11 LEU A 2 -0.298 5.245 -8.466 1.00 0.00 H ATOM 21 HD12 LEU A 2 -1.776 6.119 -8.868 1.00 0.00 H ATOM 22 HD13 LEU A 2 -1.534 4.475 -9.461 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.973 3.829 -6.876 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.159 2.953 -8.172 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.866 4.537 -8.488 1.00 0.00 H ATOM 26 N VAL A 3 1.188 3.149 -4.729 1.00 0.00 N ATOM 27 CA VAL A 3 2.236 2.303 -4.093 1.00 0.00 C ATOM 28 C VAL A 3 2.130 2.446 -2.577 1.00 0.00 C ATOM 29 O VAL A 3 2.469 1.549 -1.822 1.00 0.00 O ATOM 30 CB VAL A 3 3.569 2.861 -4.598 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.744 2.514 -6.078 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.586 4.382 -4.429 1.00 0.00 C ATOM 33 H VAL A 3 1.442 3.924 -5.272 1.00 0.00 H ATOM 34 HA VAL A 3 2.125 1.271 -4.389 1.00 0.00 H ATOM 35 HB VAL A 3 4.379 2.426 -4.030 1.00 0.00 H ATOM 36 HG11 VAL A 3 3.292 1.555 -6.279 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.797 2.474 -6.316 1.00 0.00 H ATOM 38 HG13 VAL A 3 3.267 3.271 -6.683 1.00 0.00 H ATOM 39 HG21 VAL A 3 2.902 4.665 -3.645 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.287 4.851 -5.355 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.584 4.705 -4.170 1.00 0.00 H ATOM 42 N GLY A 4 1.630 3.564 -2.128 1.00 0.00 N ATOM 43 CA GLY A 4 1.471 3.776 -0.669 1.00 0.00 C ATOM 44 C GLY A 4 0.314 2.913 -0.192 1.00 0.00 C ATOM 45 O GLY A 4 0.440 2.150 0.741 1.00 0.00 O ATOM 46 H GLY A 4 1.336 4.257 -2.758 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.380 3.488 -0.158 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.252 4.813 -0.470 1.00 0.00 H ATOM 49 N ARG A 5 -0.809 3.010 -0.845 1.00 0.00 N ATOM 50 CA ARG A 5 -1.970 2.172 -0.439 1.00 0.00 C ATOM 51 C ARG A 5 -1.573 0.698 -0.512 1.00 0.00 C ATOM 52 O ARG A 5 -2.066 -0.131 0.229 1.00 0.00 O ATOM 53 CB ARG A 5 -3.068 2.488 -1.456 1.00 0.00 C ATOM 54 CG ARG A 5 -3.747 3.804 -1.077 1.00 0.00 C ATOM 55 CD ARG A 5 -5.244 3.706 -1.369 1.00 0.00 C ATOM 56 NE ARG A 5 -5.895 3.684 -0.032 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.888 4.491 0.222 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.723 4.812 -0.728 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.045 4.979 1.423 1.00 0.00 N ATOM 60 H ARG A 5 -0.880 3.624 -1.613 1.00 0.00 H ATOM 61 HA ARG A 5 -2.296 2.430 0.555 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.633 2.577 -2.441 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.799 1.694 -1.454 1.00 0.00 H ATOM 64 HG2 ARG A 5 -3.596 3.995 -0.024 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.320 4.611 -1.654 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.572 4.568 -1.937 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.463 2.796 -1.904 1.00 0.00 H ATOM 68 HE ARG A 5 -5.578 3.063 0.658 1.00 0.00 H ATOM 69 HH11 ARG A 5 -7.601 4.438 -1.647 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.485 5.431 -0.537 1.00 0.00 H ATOM 71 HH21 ARG A 5 -6.404 4.735 2.150 1.00 0.00 H ATOM 72 HH22 ARG A 5 -7.807 5.597 1.617 1.00 0.00 H ATOM 73 N GLN A 6 -0.675 0.371 -1.400 1.00 0.00 N ATOM 74 CA GLN A 6 -0.229 -1.042 -1.530 1.00 0.00 C ATOM 75 C GLN A 6 0.532 -1.468 -0.274 1.00 0.00 C ATOM 76 O GLN A 6 0.133 -2.376 0.433 1.00 0.00 O ATOM 77 CB GLN A 6 0.707 -1.052 -2.738 1.00 0.00 C ATOM 78 CG GLN A 6 -0.095 -1.326 -4.012 1.00 0.00 C ATOM 79 CD GLN A 6 0.870 -1.638 -5.158 1.00 0.00 C ATOM 80 OE1 GLN A 6 1.952 -1.093 -5.223 1.00 0.00 O ATOM 81 NE2 GLN A 6 0.519 -2.499 -6.072 1.00 0.00 N ATOM 82 H GLN A 6 -0.289 1.060 -1.981 1.00 0.00 H ATOM 83 HA GLN A 6 -1.070 -1.692 -1.706 1.00 0.00 H ATOM 84 HB2 GLN A 6 1.197 -0.092 -2.821 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.449 -1.825 -2.610 1.00 0.00 H ATOM 86 HG2 GLN A 6 -0.749 -2.170 -3.849 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.681 -0.455 -4.264 1.00 0.00 H ATOM 88 HE21 GLN A 6 -0.354 -2.940 -6.020 1.00 0.00 H ATOM 89 HE22 GLN A 6 1.131 -2.708 -6.809 1.00 0.00 H ATOM 90 N LEU A 7 1.630 -0.823 0.010 1.00 0.00 N ATOM 91 CA LEU A 7 2.415 -1.202 1.218 1.00 0.00 C ATOM 92 C LEU A 7 1.569 -1.014 2.483 1.00 0.00 C ATOM 93 O LEU A 7 1.649 -1.793 3.413 1.00 0.00 O ATOM 94 CB LEU A 7 3.627 -0.269 1.222 1.00 0.00 C ATOM 95 CG LEU A 7 4.896 -1.085 0.960 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.657 -0.484 -0.223 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.788 -1.057 2.203 1.00 0.00 C ATOM 98 H LEU A 7 1.941 -0.092 -0.574 1.00 0.00 H ATOM 99 HA LEU A 7 2.741 -2.227 1.141 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.510 0.477 0.449 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.707 0.217 2.183 1.00 0.00 H ATOM 102 HG LEU A 7 4.625 -2.107 0.732 1.00 0.00 H ATOM 103 HD11 LEU A 7 6.087 0.462 0.070 1.00 0.00 H ATOM 104 HD12 LEU A 7 4.979 -0.331 -1.048 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.445 -1.159 -0.523 1.00 0.00 H ATOM 106 HD21 LEU A 7 6.584 -0.341 2.059 1.00 0.00 H ATOM 107 HD22 LEU A 7 6.212 -2.038 2.363 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.200 -0.774 3.063 1.00 0.00 H ATOM 109 N GLU A 8 0.753 0.003 2.522 1.00 0.00 N ATOM 110 CA GLU A 8 -0.098 0.215 3.728 1.00 0.00 C ATOM 111 C GLU A 8 -1.160 -0.879 3.793 1.00 0.00 C ATOM 112 O GLU A 8 -1.646 -1.226 4.851 1.00 0.00 O ATOM 113 CB GLU A 8 -0.746 1.589 3.540 1.00 0.00 C ATOM 114 CG GLU A 8 -0.387 2.492 4.722 1.00 0.00 C ATOM 115 CD GLU A 8 0.648 3.529 4.279 1.00 0.00 C ATOM 116 OE1 GLU A 8 0.606 3.924 3.125 1.00 0.00 O ATOM 117 OE2 GLU A 8 1.466 3.908 5.101 1.00 0.00 O ATOM 118 H GLU A 8 0.691 0.615 1.763 1.00 0.00 H ATOM 119 HA GLU A 8 0.505 0.205 4.620 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.386 2.034 2.627 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.819 1.478 3.488 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.276 2.996 5.072 1.00 0.00 H ATOM 123 HG3 GLU A 8 0.026 1.894 5.521 1.00 0.00 H ATOM 124 N GLU A 9 -1.507 -1.440 2.669 1.00 0.00 N ATOM 125 CA GLU A 9 -2.519 -2.529 2.670 1.00 0.00 C ATOM 126 C GLU A 9 -1.833 -3.842 3.050 1.00 0.00 C ATOM 127 O GLU A 9 -2.452 -4.761 3.549 1.00 0.00 O ATOM 128 CB GLU A 9 -3.055 -2.582 1.239 1.00 0.00 C ATOM 129 CG GLU A 9 -3.991 -3.783 1.086 1.00 0.00 C ATOM 130 CD GLU A 9 -5.187 -3.620 2.026 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.350 -2.537 2.562 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.919 -4.582 2.194 1.00 0.00 O ATOM 133 H GLU A 9 -1.089 -1.156 1.827 1.00 0.00 H ATOM 134 HA GLU A 9 -3.317 -2.303 3.360 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.598 -1.673 1.025 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.231 -2.680 0.548 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.341 -3.839 0.065 1.00 0.00 H ATOM 138 HG3 GLU A 9 -3.460 -4.689 1.336 1.00 0.00 H ATOM 139 N PHE A 10 -0.546 -3.924 2.826 1.00 0.00 N ATOM 140 CA PHE A 10 0.199 -5.168 3.182 1.00 0.00 C ATOM 141 C PHE A 10 0.936 -4.971 4.511 1.00 0.00 C ATOM 142 O PHE A 10 1.531 -5.887 5.042 1.00 0.00 O ATOM 143 CB PHE A 10 1.196 -5.382 2.039 1.00 0.00 C ATOM 144 CG PHE A 10 0.630 -6.388 1.065 1.00 0.00 C ATOM 145 CD1 PHE A 10 -0.754 -6.490 0.894 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.489 -7.218 0.333 1.00 0.00 C ATOM 147 CE1 PHE A 10 -1.282 -7.421 -0.006 1.00 0.00 C ATOM 148 CE2 PHE A 10 0.960 -8.151 -0.568 1.00 0.00 C ATOM 149 CZ PHE A 10 -0.425 -8.252 -0.737 1.00 0.00 C ATOM 150 H PHE A 10 -0.069 -3.161 2.430 1.00 0.00 H ATOM 151 HA PHE A 10 -0.476 -6.006 3.246 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.369 -4.446 1.530 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.128 -5.754 2.438 1.00 0.00 H ATOM 154 HD1 PHE A 10 -1.416 -5.849 1.457 1.00 0.00 H ATOM 155 HD2 PHE A 10 2.558 -7.140 0.465 1.00 0.00 H ATOM 156 HE1 PHE A 10 -2.351 -7.500 -0.137 1.00 0.00 H ATOM 157 HE2 PHE A 10 1.622 -8.791 -1.131 1.00 0.00 H ATOM 158 HZ PHE A 10 -0.834 -8.970 -1.431 1.00 0.00 H ATOM 159 N LEU A 11 0.902 -3.782 5.049 1.00 0.00 N ATOM 160 CA LEU A 11 1.603 -3.527 6.342 1.00 0.00 C ATOM 161 C LEU A 11 0.634 -2.915 7.359 1.00 0.00 C ATOM 162 O LEU A 11 0.482 -3.414 8.456 1.00 0.00 O ATOM 163 CB LEU A 11 2.719 -2.539 6.002 1.00 0.00 C ATOM 164 CG LEU A 11 3.765 -2.542 7.117 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.115 -2.101 8.432 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.333 -3.955 7.276 1.00 0.00 C ATOM 167 H LEU A 11 0.419 -3.054 4.602 1.00 0.00 H ATOM 168 HA LEU A 11 2.024 -4.442 6.728 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.184 -2.828 5.070 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.303 -1.548 5.904 1.00 0.00 H ATOM 171 HG LEU A 11 4.562 -1.857 6.863 1.00 0.00 H ATOM 172 HD11 LEU A 11 2.342 -1.376 8.226 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.863 -1.657 9.073 1.00 0.00 H ATOM 174 HD13 LEU A 11 2.682 -2.959 8.924 1.00 0.00 H ATOM 175 HD21 LEU A 11 4.114 -4.323 8.267 1.00 0.00 H ATOM 176 HD22 LEU A 11 5.403 -3.932 7.128 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.883 -4.608 6.542 1.00 0.00 H HETATM 178 N NH2 A 12 -0.032 -1.837 7.039 1.00 0.00 N HETATM 179 HN1 NH2 A 12 0.088 -1.431 6.156 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.650 -1.434 7.685 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 56 HETATM 1 C ACE A 1 -0.495 5.697 -4.052 1.00 0.00 C HETATM 2 O ACE A 1 -0.992 5.117 -3.104 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.015 7.134 -3.922 1.00 0.00 C HETATM 4 H1 ACE A 1 0.206 7.356 -2.883 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.729 7.816 -4.305 1.00 0.00 H HETATM 6 H3 ACE A 1 0.928 7.243 -4.489 1.00 0.00 H ATOM 7 N LEU A 2 -0.367 5.111 -5.211 1.00 0.00 N ATOM 8 CA LEU A 2 -0.837 3.711 -5.390 1.00 0.00 C ATOM 9 C LEU A 2 0.057 2.780 -4.581 1.00 0.00 C ATOM 10 O LEU A 2 -0.406 1.874 -3.914 1.00 0.00 O ATOM 11 CB LEU A 2 -0.705 3.427 -6.887 1.00 0.00 C ATOM 12 CG LEU A 2 -1.940 2.666 -7.369 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.209 2.998 -8.839 1.00 0.00 C ATOM 14 CD2 LEU A 2 -1.699 1.162 -7.225 1.00 0.00 C ATOM 15 H LEU A 2 0.047 5.588 -5.960 1.00 0.00 H ATOM 16 HA LEU A 2 -1.867 3.614 -5.081 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.620 4.360 -7.425 1.00 0.00 H ATOM 18 HB3 LEU A 2 0.176 2.827 -7.063 1.00 0.00 H ATOM 19 HG LEU A 2 -2.795 2.955 -6.775 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.069 3.648 -8.910 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.403 2.086 -9.384 1.00 0.00 H ATOM 22 HD13 LEU A 2 -1.348 3.493 -9.261 1.00 0.00 H ATOM 23 HD21 LEU A 2 -0.638 0.966 -7.222 1.00 0.00 H ATOM 24 HD22 LEU A 2 -2.160 0.642 -8.051 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.131 0.816 -6.296 1.00 0.00 H ATOM 26 N VAL A 3 1.338 3.011 -4.620 1.00 0.00 N ATOM 27 CA VAL A 3 2.267 2.154 -3.834 1.00 0.00 C ATOM 28 C VAL A 3 2.087 2.458 -2.347 1.00 0.00 C ATOM 29 O VAL A 3 2.423 1.663 -1.494 1.00 0.00 O ATOM 30 CB VAL A 3 3.676 2.535 -4.300 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.908 1.999 -5.713 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.824 4.059 -4.304 1.00 0.00 C ATOM 33 H VAL A 3 1.682 3.759 -5.154 1.00 0.00 H ATOM 34 HA VAL A 3 2.080 1.110 -4.033 1.00 0.00 H ATOM 35 HB VAL A 3 4.405 2.103 -3.629 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.721 2.541 -6.175 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.010 2.127 -6.299 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.159 0.950 -5.663 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.854 4.320 -4.113 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.195 4.484 -3.537 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.527 4.446 -5.268 1.00 0.00 H ATOM 42 N GLY A 4 1.541 3.605 -2.037 1.00 0.00 N ATOM 43 CA GLY A 4 1.319 3.966 -0.610 1.00 0.00 C ATOM 44 C GLY A 4 0.118 3.183 -0.088 1.00 0.00 C ATOM 45 O GLY A 4 0.163 2.587 0.971 1.00 0.00 O ATOM 46 H GLY A 4 1.266 4.224 -2.745 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.198 3.716 -0.032 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.119 5.023 -0.530 1.00 0.00 H ATOM 49 N ARG A 5 -0.955 3.166 -0.831 1.00 0.00 N ATOM 50 CA ARG A 5 -2.154 2.402 -0.382 1.00 0.00 C ATOM 51 C ARG A 5 -1.802 0.917 -0.297 1.00 0.00 C ATOM 52 O ARG A 5 -2.085 0.248 0.681 1.00 0.00 O ATOM 53 CB ARG A 5 -3.208 2.636 -1.465 1.00 0.00 C ATOM 54 CG ARG A 5 -3.943 3.950 -1.196 1.00 0.00 C ATOM 55 CD ARG A 5 -4.762 4.332 -2.431 1.00 0.00 C ATOM 56 NE ARG A 5 -5.553 3.114 -2.756 1.00 0.00 N ATOM 57 CZ ARG A 5 -5.313 2.454 -3.857 1.00 0.00 C ATOM 58 NH1 ARG A 5 -5.039 3.099 -4.957 1.00 0.00 N ATOM 59 NH2 ARG A 5 -5.347 1.148 -3.856 1.00 0.00 N ATOM 60 H ARG A 5 -0.966 3.645 -1.690 1.00 0.00 H ATOM 61 HA ARG A 5 -2.506 2.769 0.570 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.727 2.683 -2.432 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.917 1.822 -1.456 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.603 3.826 -0.349 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.227 4.729 -0.985 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.419 5.161 -2.203 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.110 4.580 -3.253 1.00 0.00 H ATOM 68 HE ARG A 5 -6.252 2.805 -2.142 1.00 0.00 H ATOM 69 HH11 ARG A 5 -5.012 4.099 -4.956 1.00 0.00 H ATOM 70 HH12 ARG A 5 -4.856 2.594 -5.799 1.00 0.00 H ATOM 71 HH21 ARG A 5 -5.555 0.654 -3.013 1.00 0.00 H ATOM 72 HH22 ARG A 5 -5.163 0.643 -4.700 1.00 0.00 H ATOM 73 N GLN A 6 -1.178 0.401 -1.320 1.00 0.00 N ATOM 74 CA GLN A 6 -0.794 -1.038 -1.317 1.00 0.00 C ATOM 75 C GLN A 6 0.143 -1.331 -0.145 1.00 0.00 C ATOM 76 O GLN A 6 -0.102 -2.215 0.649 1.00 0.00 O ATOM 77 CB GLN A 6 -0.073 -1.252 -2.647 1.00 0.00 C ATOM 78 CG GLN A 6 0.236 -2.738 -2.826 1.00 0.00 C ATOM 79 CD GLN A 6 1.693 -2.909 -3.259 1.00 0.00 C ATOM 80 OE1 GLN A 6 2.459 -1.965 -3.240 1.00 0.00 O ATOM 81 NE2 GLN A 6 2.113 -4.080 -3.653 1.00 0.00 N ATOM 82 H GLN A 6 -0.958 0.962 -2.093 1.00 0.00 H ATOM 83 HA GLN A 6 -1.670 -1.664 -1.268 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.703 -0.914 -3.457 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.850 -0.692 -2.650 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.074 -3.254 -1.889 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.413 -3.152 -3.583 1.00 0.00 H ATOM 88 HE21 GLN A 6 1.496 -4.842 -3.667 1.00 0.00 H ATOM 89 HE22 GLN A 6 3.045 -4.198 -3.932 1.00 0.00 H ATOM 90 N LEU A 7 1.215 -0.595 -0.030 1.00 0.00 N ATOM 91 CA LEU A 7 2.160 -0.840 1.095 1.00 0.00 C ATOM 92 C LEU A 7 1.401 -0.843 2.422 1.00 0.00 C ATOM 93 O LEU A 7 1.618 -1.684 3.272 1.00 0.00 O ATOM 94 CB LEU A 7 3.155 0.323 1.041 1.00 0.00 C ATOM 95 CG LEU A 7 4.455 -0.077 1.740 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.365 -0.802 0.747 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.163 1.179 2.251 1.00 0.00 C ATOM 98 H LEU A 7 1.398 0.116 -0.681 1.00 0.00 H ATOM 99 HA LEU A 7 2.676 -1.774 0.955 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.363 0.567 0.011 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.731 1.182 1.538 1.00 0.00 H ATOM 102 HG LEU A 7 4.233 -0.732 2.571 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.486 -0.196 -0.139 1.00 0.00 H ATOM 104 HD12 LEU A 7 4.923 -1.750 0.477 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.332 -0.972 1.200 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.031 1.980 1.538 1.00 0.00 H ATOM 107 HD22 LEU A 7 6.216 0.976 2.372 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.741 1.470 3.201 1.00 0.00 H ATOM 109 N GLU A 8 0.503 0.086 2.604 1.00 0.00 N ATOM 110 CA GLU A 8 -0.274 0.121 3.874 1.00 0.00 C ATOM 111 C GLU A 8 -1.219 -1.073 3.925 1.00 0.00 C ATOM 112 O GLU A 8 -1.627 -1.513 4.981 1.00 0.00 O ATOM 113 CB GLU A 8 -1.063 1.432 3.831 1.00 0.00 C ATOM 114 CG GLU A 8 -1.407 1.866 5.257 1.00 0.00 C ATOM 115 CD GLU A 8 -0.117 2.043 6.059 1.00 0.00 C ATOM 116 OE1 GLU A 8 0.786 2.690 5.555 1.00 0.00 O ATOM 117 OE2 GLU A 8 -0.053 1.527 7.163 1.00 0.00 O ATOM 118 H GLU A 8 0.334 0.750 1.905 1.00 0.00 H ATOM 119 HA GLU A 8 0.390 0.113 4.721 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.465 2.195 3.355 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.975 1.285 3.271 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.948 2.802 5.229 1.00 0.00 H ATOM 123 HG3 GLU A 8 -2.020 1.110 5.726 1.00 0.00 H ATOM 124 N GLU A 9 -1.561 -1.607 2.788 1.00 0.00 N ATOM 125 CA GLU A 9 -2.472 -2.782 2.765 1.00 0.00 C ATOM 126 C GLU A 9 -1.672 -4.052 3.054 1.00 0.00 C ATOM 127 O GLU A 9 -2.197 -5.037 3.533 1.00 0.00 O ATOM 128 CB GLU A 9 -3.047 -2.810 1.349 1.00 0.00 C ATOM 129 CG GLU A 9 -4.013 -3.986 1.207 1.00 0.00 C ATOM 130 CD GLU A 9 -4.948 -3.736 0.023 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.469 -3.260 -0.994 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.126 -4.023 0.152 1.00 0.00 O ATOM 133 H GLU A 9 -1.212 -1.236 1.946 1.00 0.00 H ATOM 134 HA GLU A 9 -3.261 -2.661 3.488 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.576 -1.886 1.159 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.244 -2.918 0.636 1.00 0.00 H ATOM 137 HG2 GLU A 9 -3.451 -4.894 1.039 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.596 -4.086 2.110 1.00 0.00 H ATOM 139 N PHE A 10 -0.400 -4.027 2.774 1.00 0.00 N ATOM 140 CA PHE A 10 0.444 -5.226 3.043 1.00 0.00 C ATOM 141 C PHE A 10 1.238 -5.023 4.335 1.00 0.00 C ATOM 142 O PHE A 10 1.891 -5.923 4.823 1.00 0.00 O ATOM 143 CB PHE A 10 1.384 -5.336 1.841 1.00 0.00 C ATOM 144 CG PHE A 10 1.506 -6.787 1.436 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.900 -7.747 2.377 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.225 -7.174 0.118 1.00 0.00 C ATOM 147 CE1 PHE A 10 2.011 -9.091 2.003 1.00 0.00 C ATOM 148 CE2 PHE A 10 1.337 -8.518 -0.255 1.00 0.00 C ATOM 149 CZ PHE A 10 1.729 -9.477 0.687 1.00 0.00 C ATOM 150 H PHE A 10 0.005 -3.215 2.401 1.00 0.00 H ATOM 151 HA PHE A 10 -0.170 -6.110 3.114 1.00 0.00 H ATOM 152 HB2 PHE A 10 0.985 -4.763 1.018 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.357 -4.955 2.110 1.00 0.00 H ATOM 154 HD1 PHE A 10 2.117 -7.449 3.392 1.00 0.00 H ATOM 155 HD2 PHE A 10 0.922 -6.434 -0.608 1.00 0.00 H ATOM 156 HE1 PHE A 10 2.315 -9.831 2.730 1.00 0.00 H ATOM 157 HE2 PHE A 10 1.119 -8.816 -1.270 1.00 0.00 H ATOM 158 HZ PHE A 10 1.817 -10.514 0.399 1.00 0.00 H ATOM 159 N LEU A 11 1.185 -3.843 4.892 1.00 0.00 N ATOM 160 CA LEU A 11 1.938 -3.581 6.152 1.00 0.00 C ATOM 161 C LEU A 11 1.422 -4.485 7.275 1.00 0.00 C ATOM 162 O LEU A 11 2.024 -4.580 8.326 1.00 0.00 O ATOM 163 CB LEU A 11 1.665 -2.112 6.481 1.00 0.00 C ATOM 164 CG LEU A 11 2.959 -1.437 6.946 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.093 -0.069 6.273 1.00 0.00 C ATOM 166 CD2 LEU A 11 2.919 -1.251 8.466 1.00 0.00 C ATOM 167 H LEU A 11 0.649 -3.130 4.482 1.00 0.00 H ATOM 168 HA LEU A 11 2.993 -3.735 5.999 1.00 0.00 H ATOM 169 HB2 LEU A 11 1.295 -1.609 5.599 1.00 0.00 H ATOM 170 HB3 LEU A 11 0.927 -2.051 7.267 1.00 0.00 H ATOM 171 HG LEU A 11 3.804 -2.055 6.678 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.587 -0.184 5.320 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.674 0.586 6.904 1.00 0.00 H ATOM 174 HD13 LEU A 11 2.112 0.356 6.122 1.00 0.00 H ATOM 175 HD21 LEU A 11 3.106 -2.199 8.949 1.00 0.00 H ATOM 176 HD22 LEU A 11 1.947 -0.884 8.758 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.677 -0.540 8.762 1.00 0.00 H HETATM 178 N NH2 A 12 0.321 -5.164 7.094 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.166 -5.090 6.248 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.018 -5.746 7.804 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 57 HETATM 1 C ACE A 1 -0.762 5.535 -4.089 1.00 0.00 C HETATM 2 O ACE A 1 -1.317 4.971 -3.165 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.355 7.008 -3.992 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.983 7.506 -3.268 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.475 7.478 -4.956 1.00 0.00 H HETATM 6 H3 ACE A 1 0.676 7.079 -3.683 1.00 0.00 H ATOM 7 N LEU A 2 -0.485 4.907 -5.198 1.00 0.00 N ATOM 8 CA LEU A 2 -0.853 3.471 -5.352 1.00 0.00 C ATOM 9 C LEU A 2 0.102 2.606 -4.537 1.00 0.00 C ATOM 10 O LEU A 2 -0.306 1.721 -3.813 1.00 0.00 O ATOM 11 CB LEU A 2 -0.697 3.184 -6.843 1.00 0.00 C ATOM 12 CG LEU A 2 -0.709 1.672 -7.074 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.039 1.092 -6.593 1.00 0.00 C ATOM 14 CD2 LEU A 2 -0.539 1.385 -8.568 1.00 0.00 C ATOM 15 H LEU A 2 -0.032 5.375 -5.928 1.00 0.00 H ATOM 16 HA LEU A 2 -1.872 3.305 -5.044 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.513 3.639 -7.385 1.00 0.00 H ATOM 18 HB3 LEU A 2 0.239 3.592 -7.190 1.00 0.00 H ATOM 19 HG LEU A 2 0.102 1.217 -6.523 1.00 0.00 H ATOM 20 HD11 LEU A 2 -1.856 0.377 -5.804 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.537 0.599 -7.415 1.00 0.00 H ATOM 22 HD13 LEU A 2 -2.665 1.888 -6.220 1.00 0.00 H ATOM 23 HD21 LEU A 2 -1.000 0.439 -8.808 1.00 0.00 H ATOM 24 HD22 LEU A 2 0.513 1.345 -8.809 1.00 0.00 H ATOM 25 HD23 LEU A 2 -1.010 2.171 -9.141 1.00 0.00 H ATOM 26 N VAL A 3 1.375 2.865 -4.640 1.00 0.00 N ATOM 27 CA VAL A 3 2.353 2.064 -3.853 1.00 0.00 C ATOM 28 C VAL A 3 2.218 2.436 -2.377 1.00 0.00 C ATOM 29 O VAL A 3 2.577 1.681 -1.492 1.00 0.00 O ATOM 30 CB VAL A 3 3.731 2.458 -4.394 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.095 3.864 -3.912 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.780 1.464 -3.891 1.00 0.00 C ATOM 33 H VAL A 3 1.682 3.593 -5.221 1.00 0.00 H ATOM 34 HA VAL A 3 2.183 1.008 -3.997 1.00 0.00 H ATOM 35 HB VAL A 3 3.709 2.444 -5.474 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.037 3.901 -2.834 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.406 4.580 -4.335 1.00 0.00 H ATOM 38 HG13 VAL A 3 5.100 4.102 -4.226 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.392 0.934 -3.034 1.00 0.00 H ATOM 40 HG22 VAL A 3 5.675 1.999 -3.608 1.00 0.00 H ATOM 41 HG23 VAL A 3 5.015 0.761 -4.676 1.00 0.00 H ATOM 42 N GLY A 4 1.676 3.595 -2.111 1.00 0.00 N ATOM 43 CA GLY A 4 1.488 4.029 -0.701 1.00 0.00 C ATOM 44 C GLY A 4 0.309 3.263 -0.114 1.00 0.00 C ATOM 45 O GLY A 4 0.388 2.707 0.964 1.00 0.00 O ATOM 46 H GLY A 4 1.378 4.174 -2.843 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.383 3.818 -0.132 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.278 5.088 -0.671 1.00 0.00 H ATOM 49 N ARG A 5 -0.782 3.210 -0.829 1.00 0.00 N ATOM 50 CA ARG A 5 -1.960 2.456 -0.323 1.00 0.00 C ATOM 51 C ARG A 5 -1.616 0.969 -0.288 1.00 0.00 C ATOM 52 O ARG A 5 -1.962 0.258 0.635 1.00 0.00 O ATOM 53 CB ARG A 5 -3.078 2.731 -1.327 1.00 0.00 C ATOM 54 CG ARG A 5 -4.344 3.144 -0.575 1.00 0.00 C ATOM 55 CD ARG A 5 -4.756 4.551 -1.012 1.00 0.00 C ATOM 56 NE ARG A 5 -6.109 4.386 -1.611 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.822 5.435 -1.913 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.479 6.189 -2.921 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.877 5.732 -1.205 1.00 0.00 N ATOM 60 H ARG A 5 -0.819 3.651 -1.707 1.00 0.00 H ATOM 61 HA ARG A 5 -2.242 2.806 0.659 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.778 3.528 -1.992 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.277 1.838 -1.900 1.00 0.00 H ATOM 64 HG2 ARG A 5 -5.139 2.448 -0.798 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.149 3.142 0.487 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.797 5.212 -0.158 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.068 4.931 -1.753 1.00 0.00 H ATOM 68 HE ARG A 5 -6.464 3.488 -1.780 1.00 0.00 H ATOM 69 HH11 ARG A 5 -5.669 5.961 -3.462 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.026 6.992 -3.155 1.00 0.00 H ATOM 71 HH21 ARG A 5 -8.139 5.154 -0.431 1.00 0.00 H ATOM 72 HH22 ARG A 5 -8.423 6.539 -1.434 1.00 0.00 H ATOM 73 N GLN A 6 -0.918 0.497 -1.285 1.00 0.00 N ATOM 74 CA GLN A 6 -0.531 -0.938 -1.307 1.00 0.00 C ATOM 75 C GLN A 6 0.301 -1.257 -0.068 1.00 0.00 C ATOM 76 O GLN A 6 0.025 -2.192 0.655 1.00 0.00 O ATOM 77 CB GLN A 6 0.314 -1.102 -2.569 1.00 0.00 C ATOM 78 CG GLN A 6 -0.533 -1.734 -3.671 1.00 0.00 C ATOM 79 CD GLN A 6 0.387 -2.357 -4.722 1.00 0.00 C ATOM 80 OE1 GLN A 6 1.011 -1.654 -5.493 1.00 0.00 O ATOM 81 NE2 GLN A 6 0.501 -3.655 -4.784 1.00 0.00 N ATOM 82 H GLN A 6 -0.637 1.093 -2.012 1.00 0.00 H ATOM 83 HA GLN A 6 -1.403 -1.569 -1.355 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.667 -0.135 -2.893 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.159 -1.739 -2.355 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.166 -2.500 -3.244 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.146 -0.977 -4.135 1.00 0.00 H ATOM 88 HE21 GLN A 6 0.000 -4.221 -4.160 1.00 0.00 H ATOM 89 HE22 GLN A 6 1.089 -4.063 -5.452 1.00 0.00 H ATOM 90 N LEU A 7 1.323 -0.484 0.179 1.00 0.00 N ATOM 91 CA LEU A 7 2.177 -0.741 1.370 1.00 0.00 C ATOM 92 C LEU A 7 1.344 -0.681 2.654 1.00 0.00 C ATOM 93 O LEU A 7 1.526 -1.473 3.557 1.00 0.00 O ATOM 94 CB LEU A 7 3.224 0.373 1.356 1.00 0.00 C ATOM 95 CG LEU A 7 4.624 -0.239 1.258 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.755 -1.377 2.271 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.847 -0.788 -0.153 1.00 0.00 C ATOM 98 H LEU A 7 1.530 0.266 -0.421 1.00 0.00 H ATOM 99 HA LEU A 7 2.660 -1.700 1.282 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.051 1.017 0.506 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.148 0.949 2.265 1.00 0.00 H ATOM 102 HG LEU A 7 5.363 0.520 1.472 1.00 0.00 H ATOM 103 HD11 LEU A 7 3.864 -1.419 2.880 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.615 -1.204 2.898 1.00 0.00 H ATOM 105 HD13 LEU A 7 4.874 -2.313 1.744 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.987 0.032 -0.842 1.00 0.00 H ATOM 107 HD22 LEU A 7 3.987 -1.369 -0.455 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.725 -1.417 -0.159 1.00 0.00 H ATOM 109 N GLU A 8 0.429 0.247 2.748 1.00 0.00 N ATOM 110 CA GLU A 8 -0.404 0.336 3.982 1.00 0.00 C ATOM 111 C GLU A 8 -1.375 -0.838 4.035 1.00 0.00 C ATOM 112 O GLU A 8 -1.859 -1.212 5.085 1.00 0.00 O ATOM 113 CB GLU A 8 -1.152 1.668 3.874 1.00 0.00 C ATOM 114 CG GLU A 8 -0.445 2.723 4.728 1.00 0.00 C ATOM 115 CD GLU A 8 -1.273 3.010 5.982 1.00 0.00 C ATOM 116 OE1 GLU A 8 -2.479 3.141 5.853 1.00 0.00 O ATOM 117 OE2 GLU A 8 -0.688 3.092 7.050 1.00 0.00 O ATOM 118 H GLU A 8 0.288 0.879 2.011 1.00 0.00 H ATOM 119 HA GLU A 8 0.228 0.332 4.855 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.170 1.990 2.842 1.00 0.00 H ATOM 121 HB3 GLU A 8 -2.165 1.542 4.228 1.00 0.00 H ATOM 122 HG2 GLU A 8 0.531 2.356 5.016 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.333 3.632 4.158 1.00 0.00 H ATOM 124 N GLU A 9 -1.653 -1.440 2.914 1.00 0.00 N ATOM 125 CA GLU A 9 -2.578 -2.605 2.915 1.00 0.00 C ATOM 126 C GLU A 9 -1.764 -3.899 2.923 1.00 0.00 C ATOM 127 O GLU A 9 -2.281 -4.972 3.164 1.00 0.00 O ATOM 128 CB GLU A 9 -3.394 -2.478 1.630 1.00 0.00 C ATOM 129 CG GLU A 9 -4.795 -1.967 1.968 1.00 0.00 C ATOM 130 CD GLU A 9 -5.215 -0.915 0.942 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.729 0.201 1.033 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.015 -1.241 0.081 1.00 0.00 O ATOM 133 H GLU A 9 -1.242 -1.133 2.076 1.00 0.00 H ATOM 134 HA GLU A 9 -3.227 -2.566 3.774 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.905 -1.784 0.960 1.00 0.00 H ATOM 136 HB3 GLU A 9 -3.470 -3.445 1.155 1.00 0.00 H ATOM 137 HG2 GLU A 9 -5.492 -2.792 1.946 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.788 -1.525 2.952 1.00 0.00 H ATOM 139 N PHE A 10 -0.486 -3.797 2.674 1.00 0.00 N ATOM 140 CA PHE A 10 0.379 -5.008 2.677 1.00 0.00 C ATOM 141 C PHE A 10 1.136 -5.096 4.005 1.00 0.00 C ATOM 142 O PHE A 10 1.689 -6.122 4.348 1.00 0.00 O ATOM 143 CB PHE A 10 1.359 -4.803 1.519 1.00 0.00 C ATOM 144 CG PHE A 10 1.060 -5.789 0.414 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.521 -7.107 0.508 1.00 0.00 C ATOM 146 CD2 PHE A 10 0.329 -5.382 -0.709 1.00 0.00 C ATOM 147 CE1 PHE A 10 1.250 -8.019 -0.518 1.00 0.00 C ATOM 148 CE2 PHE A 10 0.056 -6.295 -1.736 1.00 0.00 C ATOM 149 CZ PHE A 10 0.516 -7.613 -1.640 1.00 0.00 C ATOM 150 H PHE A 10 -0.093 -2.917 2.494 1.00 0.00 H ATOM 151 HA PHE A 10 -0.210 -5.898 2.514 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.263 -3.797 1.141 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.368 -4.959 1.874 1.00 0.00 H ATOM 154 HD1 PHE A 10 2.085 -7.421 1.374 1.00 0.00 H ATOM 155 HD2 PHE A 10 -0.025 -4.365 -0.782 1.00 0.00 H ATOM 156 HE1 PHE A 10 1.606 -9.036 -0.444 1.00 0.00 H ATOM 157 HE2 PHE A 10 -0.509 -5.981 -2.601 1.00 0.00 H ATOM 158 HZ PHE A 10 0.307 -8.316 -2.432 1.00 0.00 H ATOM 159 N LEU A 11 1.168 -4.025 4.754 1.00 0.00 N ATOM 160 CA LEU A 11 1.897 -4.052 6.056 1.00 0.00 C ATOM 161 C LEU A 11 1.245 -5.060 7.008 1.00 0.00 C ATOM 162 O LEU A 11 1.626 -6.213 7.050 1.00 0.00 O ATOM 163 CB LEU A 11 1.781 -2.630 6.610 1.00 0.00 C ATOM 164 CG LEU A 11 3.053 -1.848 6.274 1.00 0.00 C ATOM 165 CD1 LEU A 11 2.874 -0.382 6.676 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.234 -2.447 7.041 1.00 0.00 C ATOM 167 H LEU A 11 0.716 -3.200 4.460 1.00 0.00 H ATOM 168 HA LEU A 11 2.935 -4.301 5.899 1.00 0.00 H ATOM 169 HB2 LEU A 11 0.927 -2.140 6.165 1.00 0.00 H ATOM 170 HB3 LEU A 11 1.657 -2.670 7.682 1.00 0.00 H ATOM 171 HG LEU A 11 3.242 -1.909 5.212 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.127 0.253 5.840 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.522 -0.155 7.510 1.00 0.00 H ATOM 174 HD13 LEU A 11 1.847 -0.209 6.961 1.00 0.00 H ATOM 175 HD21 LEU A 11 3.968 -2.559 8.082 1.00 0.00 H ATOM 176 HD22 LEU A 11 5.088 -1.791 6.957 1.00 0.00 H ATOM 177 HD23 LEU A 11 4.481 -3.413 6.625 1.00 0.00 H HETATM 178 N NH2 A 12 0.273 -4.669 7.786 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.036 -3.739 7.753 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.147 -5.304 8.402 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 58 HETATM 1 C ACE A 1 -0.687 5.666 -4.001 1.00 0.00 C HETATM 2 O ACE A 1 -1.178 5.085 -3.051 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.271 7.135 -3.904 1.00 0.00 C HETATM 4 H1 ACE A 1 -1.149 7.762 -3.963 1.00 0.00 H HETATM 5 H2 ACE A 1 0.398 7.374 -4.718 1.00 0.00 H HETATM 6 H3 ACE A 1 0.231 7.306 -2.963 1.00 0.00 H ATOM 7 N LEU A 2 -0.491 5.057 -5.139 1.00 0.00 N ATOM 8 CA LEU A 2 -0.874 3.625 -5.288 1.00 0.00 C ATOM 9 C LEU A 2 0.114 2.746 -4.526 1.00 0.00 C ATOM 10 O LEU A 2 -0.259 1.788 -3.880 1.00 0.00 O ATOM 11 CB LEU A 2 -0.803 3.345 -6.789 1.00 0.00 C ATOM 12 CG LEU A 2 -2.201 3.462 -7.396 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.555 4.939 -7.581 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.229 2.759 -8.754 1.00 0.00 C ATOM 15 H LEU A 2 -0.089 5.538 -5.890 1.00 0.00 H ATOM 16 HA LEU A 2 -1.875 3.464 -4.927 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.144 4.063 -7.257 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.424 2.348 -6.952 1.00 0.00 H ATOM 19 HG LEU A 2 -2.920 3.001 -6.734 1.00 0.00 H ATOM 20 HD11 LEU A 2 -1.998 5.341 -8.414 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.303 5.484 -6.683 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.614 5.034 -7.775 1.00 0.00 H ATOM 23 HD21 LEU A 2 -1.919 3.450 -9.524 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.230 2.414 -8.962 1.00 0.00 H ATOM 25 HD23 LEU A 2 -1.554 1.915 -8.736 1.00 0.00 H ATOM 26 N VAL A 3 1.373 3.077 -4.584 1.00 0.00 N ATOM 27 CA VAL A 3 2.382 2.269 -3.849 1.00 0.00 C ATOM 28 C VAL A 3 2.195 2.474 -2.347 1.00 0.00 C ATOM 29 O VAL A 3 2.530 1.626 -1.543 1.00 0.00 O ATOM 30 CB VAL A 3 3.737 2.814 -4.300 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.854 1.915 -3.765 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.793 2.838 -5.828 1.00 0.00 C ATOM 33 H VAL A 3 1.651 3.862 -5.101 1.00 0.00 H ATOM 34 HA VAL A 3 2.296 1.225 -4.105 1.00 0.00 H ATOM 35 HB VAL A 3 3.867 3.816 -3.916 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.245 2.334 -2.849 1.00 0.00 H ATOM 37 HG12 VAL A 3 5.646 1.850 -4.496 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.460 0.929 -3.571 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.054 3.832 -6.164 1.00 0.00 H ATOM 40 HG22 VAL A 3 2.827 2.566 -6.229 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.537 2.135 -6.173 1.00 0.00 H ATOM 42 N GLY A 4 1.644 3.595 -1.966 1.00 0.00 N ATOM 43 CA GLY A 4 1.419 3.865 -0.518 1.00 0.00 C ATOM 44 C GLY A 4 0.200 3.074 -0.055 1.00 0.00 C ATOM 45 O GLY A 4 0.230 2.400 0.957 1.00 0.00 O ATOM 46 H GLY A 4 1.369 4.258 -2.636 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.289 3.559 0.046 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.241 4.918 -0.369 1.00 0.00 H ATOM 49 N ARG A 5 -0.872 3.142 -0.794 1.00 0.00 N ATOM 50 CA ARG A 5 -2.090 2.381 -0.400 1.00 0.00 C ATOM 51 C ARG A 5 -1.770 0.885 -0.373 1.00 0.00 C ATOM 52 O ARG A 5 -2.127 0.176 0.548 1.00 0.00 O ATOM 53 CB ARG A 5 -3.123 2.692 -1.484 1.00 0.00 C ATOM 54 CG ARG A 5 -4.126 3.716 -0.953 1.00 0.00 C ATOM 55 CD ARG A 5 -5.507 3.067 -0.835 1.00 0.00 C ATOM 56 NE ARG A 5 -6.073 3.597 0.436 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.363 2.780 1.411 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.073 1.711 1.178 1.00 0.00 N ATOM 59 NH2 ARG A 5 -5.943 3.033 2.621 1.00 0.00 N ATOM 60 H ARG A 5 -0.872 3.685 -1.612 1.00 0.00 H ATOM 61 HA ARG A 5 -2.449 2.710 0.563 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.622 3.094 -2.353 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.646 1.788 -1.755 1.00 0.00 H ATOM 64 HG2 ARG A 5 -3.806 4.062 0.020 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.181 4.553 -1.633 1.00 0.00 H ATOM 66 HD2 ARG A 5 -6.127 3.351 -1.674 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.415 1.993 -0.778 1.00 0.00 H ATOM 68 HE ARG A 5 -6.226 4.559 0.540 1.00 0.00 H ATOM 69 HH11 ARG A 5 -7.395 1.517 0.251 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.296 1.084 1.925 1.00 0.00 H ATOM 71 HH21 ARG A 5 -5.398 3.853 2.800 1.00 0.00 H ATOM 72 HH22 ARG A 5 -6.165 2.407 3.369 1.00 0.00 H ATOM 73 N GLN A 6 -1.086 0.403 -1.375 1.00 0.00 N ATOM 74 CA GLN A 6 -0.730 -1.042 -1.408 1.00 0.00 C ATOM 75 C GLN A 6 0.199 -1.379 -0.238 1.00 0.00 C ATOM 76 O GLN A 6 -0.075 -2.263 0.547 1.00 0.00 O ATOM 77 CB GLN A 6 -0.012 -1.245 -2.743 1.00 0.00 C ATOM 78 CG GLN A 6 -0.885 -2.093 -3.670 1.00 0.00 C ATOM 79 CD GLN A 6 -1.952 -1.208 -4.318 1.00 0.00 C ATOM 80 OE1 GLN A 6 -1.753 -0.692 -5.399 1.00 0.00 O ATOM 81 NE2 GLN A 6 -3.083 -1.013 -3.699 1.00 0.00 N ATOM 82 H GLN A 6 -0.801 0.994 -2.103 1.00 0.00 H ATOM 83 HA GLN A 6 -1.619 -1.652 -1.371 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.175 -0.284 -3.201 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.927 -1.751 -2.573 1.00 0.00 H ATOM 86 HG2 GLN A 6 -0.269 -2.537 -4.437 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.366 -2.872 -3.098 1.00 0.00 H ATOM 88 HE21 GLN A 6 -3.244 -1.430 -2.827 1.00 0.00 H ATOM 89 HE22 GLN A 6 -3.773 -0.448 -4.106 1.00 0.00 H ATOM 90 N LEU A 7 1.296 -0.678 -0.112 1.00 0.00 N ATOM 91 CA LEU A 7 2.229 -0.969 1.015 1.00 0.00 C ATOM 92 C LEU A 7 1.472 -0.927 2.343 1.00 0.00 C ATOM 93 O LEU A 7 1.619 -1.796 3.181 1.00 0.00 O ATOM 94 CB LEU A 7 3.284 0.137 0.964 1.00 0.00 C ATOM 95 CG LEU A 7 4.546 -0.393 0.281 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.189 0.726 -0.542 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.537 -0.872 1.345 1.00 0.00 C ATOM 98 H LEU A 7 1.504 0.036 -0.753 1.00 0.00 H ATOM 99 HA LEU A 7 2.694 -1.931 0.878 1.00 0.00 H ATOM 100 HB2 LEU A 7 2.897 0.977 0.407 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.526 0.450 1.967 1.00 0.00 H ATOM 102 HG LEU A 7 4.287 -1.216 -0.370 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.327 1.597 0.081 1.00 0.00 H ATOM 104 HD12 LEU A 7 4.546 0.974 -1.374 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.147 0.393 -0.915 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.869 -1.871 1.104 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.052 -0.876 2.311 1.00 0.00 H ATOM 108 HD23 LEU A 7 6.386 -0.207 1.372 1.00 0.00 H ATOM 109 N GLU A 8 0.654 0.070 2.540 1.00 0.00 N ATOM 110 CA GLU A 8 -0.116 0.154 3.811 1.00 0.00 C ATOM 111 C GLU A 8 -1.116 -0.996 3.870 1.00 0.00 C ATOM 112 O GLU A 8 -1.528 -1.425 4.928 1.00 0.00 O ATOM 113 CB GLU A 8 -0.842 1.498 3.760 1.00 0.00 C ATOM 114 CG GLU A 8 -1.640 1.695 5.051 1.00 0.00 C ATOM 115 CD GLU A 8 -2.077 3.156 5.165 1.00 0.00 C ATOM 116 OE1 GLU A 8 -3.056 3.514 4.532 1.00 0.00 O ATOM 117 OE2 GLU A 8 -1.426 3.894 5.887 1.00 0.00 O ATOM 118 H GLU A 8 0.540 0.756 1.850 1.00 0.00 H ATOM 119 HA GLU A 8 0.549 0.120 4.659 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.118 2.294 3.658 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.516 1.512 2.917 1.00 0.00 H ATOM 122 HG2 GLU A 8 -2.513 1.058 5.034 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.023 1.438 5.898 1.00 0.00 H ATOM 124 N GLU A 9 -1.500 -1.506 2.733 1.00 0.00 N ATOM 125 CA GLU A 9 -2.464 -2.639 2.718 1.00 0.00 C ATOM 126 C GLU A 9 -1.724 -3.939 3.026 1.00 0.00 C ATOM 127 O GLU A 9 -2.299 -4.902 3.495 1.00 0.00 O ATOM 128 CB GLU A 9 -3.038 -2.665 1.301 1.00 0.00 C ATOM 129 CG GLU A 9 -4.439 -3.276 1.328 1.00 0.00 C ATOM 130 CD GLU A 9 -5.440 -2.239 1.839 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.369 -1.106 1.392 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.260 -2.594 2.669 1.00 0.00 O ATOM 133 H GLU A 9 -1.144 -1.148 1.889 1.00 0.00 H ATOM 134 HA GLU A 9 -3.250 -2.474 3.436 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.092 -1.656 0.917 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.399 -3.258 0.664 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.716 -3.586 0.330 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.446 -4.133 1.985 1.00 0.00 H ATOM 139 N PHE A 10 -0.445 -3.967 2.776 1.00 0.00 N ATOM 140 CA PHE A 10 0.348 -5.194 3.064 1.00 0.00 C ATOM 141 C PHE A 10 1.095 -5.027 4.390 1.00 0.00 C ATOM 142 O PHE A 10 1.673 -5.963 4.905 1.00 0.00 O ATOM 143 CB PHE A 10 1.333 -5.313 1.901 1.00 0.00 C ATOM 144 CG PHE A 10 2.012 -6.661 1.951 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.243 -7.827 2.036 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.408 -6.744 1.912 1.00 0.00 C ATOM 147 CE1 PHE A 10 1.872 -9.077 2.083 1.00 0.00 C ATOM 148 CE2 PHE A 10 4.037 -7.993 1.959 1.00 0.00 C ATOM 149 CZ PHE A 10 3.269 -9.161 2.044 1.00 0.00 C ATOM 150 H PHE A 10 -0.002 -3.174 2.408 1.00 0.00 H ATOM 151 HA PHE A 10 -0.295 -6.061 3.096 1.00 0.00 H ATOM 152 HB2 PHE A 10 0.802 -5.211 0.966 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.078 -4.535 1.980 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.165 -7.764 2.066 1.00 0.00 H ATOM 155 HD2 PHE A 10 4.000 -5.843 1.846 1.00 0.00 H ATOM 156 HE1 PHE A 10 1.279 -9.978 2.149 1.00 0.00 H ATOM 157 HE2 PHE A 10 5.115 -8.057 1.929 1.00 0.00 H ATOM 158 HZ PHE A 10 3.754 -10.125 2.080 1.00 0.00 H ATOM 159 N LEU A 11 1.080 -3.833 4.936 1.00 0.00 N ATOM 160 CA LEU A 11 1.780 -3.563 6.232 1.00 0.00 C ATOM 161 C LEU A 11 3.021 -4.449 6.389 1.00 0.00 C ATOM 162 O LEU A 11 3.694 -4.757 5.426 1.00 0.00 O ATOM 163 CB LEU A 11 0.746 -3.869 7.321 1.00 0.00 C ATOM 164 CG LEU A 11 0.497 -5.378 7.410 1.00 0.00 C ATOM 165 CD1 LEU A 11 0.380 -5.787 8.878 1.00 0.00 C ATOM 166 CD2 LEU A 11 -0.806 -5.722 6.683 1.00 0.00 C ATOM 167 H LEU A 11 0.600 -3.104 4.487 1.00 0.00 H ATOM 168 HA LEU A 11 2.063 -2.523 6.287 1.00 0.00 H ATOM 169 HB2 LEU A 11 1.111 -3.511 8.272 1.00 0.00 H ATOM 170 HB3 LEU A 11 -0.181 -3.368 7.083 1.00 0.00 H ATOM 171 HG LEU A 11 1.317 -5.910 6.955 1.00 0.00 H ATOM 172 HD11 LEU A 11 1.361 -5.800 9.328 1.00 0.00 H ATOM 173 HD12 LEU A 11 -0.059 -6.771 8.944 1.00 0.00 H ATOM 174 HD13 LEU A 11 -0.246 -5.078 9.401 1.00 0.00 H ATOM 175 HD21 LEU A 11 -0.585 -6.030 5.673 1.00 0.00 H ATOM 176 HD22 LEU A 11 -1.449 -4.854 6.663 1.00 0.00 H ATOM 177 HD23 LEU A 11 -1.305 -6.527 7.203 1.00 0.00 H HETATM 178 N NH2 A 12 3.350 -4.879 7.577 1.00 0.00 N HETATM 179 HN1 NH2 A 12 2.808 -4.632 8.355 1.00 0.00 H HETATM 180 HN2 NH2 A 12 4.140 -5.448 7.690 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 59 HETATM 1 C ACE A 1 -0.330 5.655 -3.985 1.00 0.00 C HETATM 2 O ACE A 1 -0.784 5.090 -3.007 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.183 7.095 -3.905 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.654 7.779 -3.938 1.00 0.00 H HETATM 5 H2 ACE A 1 0.840 7.290 -4.740 1.00 0.00 H HETATM 6 H3 ACE A 1 0.724 7.233 -2.981 1.00 0.00 H ATOM 7 N LEU A 2 -0.251 5.051 -5.140 1.00 0.00 N ATOM 8 CA LEU A 2 -0.724 3.648 -5.273 1.00 0.00 C ATOM 9 C LEU A 2 0.184 2.734 -4.450 1.00 0.00 C ATOM 10 O LEU A 2 -0.258 1.773 -3.849 1.00 0.00 O ATOM 11 CB LEU A 2 -0.612 3.321 -6.767 1.00 0.00 C ATOM 12 CG LEU A 2 -1.887 2.615 -7.252 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.391 1.640 -6.182 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.968 3.661 -7.539 1.00 0.00 C ATOM 15 H LEU A 2 0.129 5.516 -5.912 1.00 0.00 H ATOM 16 HA LEU A 2 -1.748 3.558 -4.947 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.479 4.238 -7.323 1.00 0.00 H ATOM 18 HB3 LEU A 2 0.237 2.676 -6.931 1.00 0.00 H ATOM 19 HG LEU A 2 -1.668 2.067 -8.158 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.847 0.784 -6.660 1.00 0.00 H ATOM 21 HD12 LEU A 2 -3.121 2.136 -5.558 1.00 0.00 H ATOM 22 HD13 LEU A 2 -1.562 1.312 -5.574 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.550 3.352 -8.397 1.00 0.00 H ATOM 24 HD22 LEU A 2 -2.503 4.612 -7.745 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.616 3.756 -6.680 1.00 0.00 H ATOM 26 N VAL A 3 1.450 3.042 -4.403 1.00 0.00 N ATOM 27 CA VAL A 3 2.386 2.207 -3.602 1.00 0.00 C ATOM 28 C VAL A 3 2.118 2.426 -2.115 1.00 0.00 C ATOM 29 O VAL A 3 2.434 1.599 -1.286 1.00 0.00 O ATOM 30 CB VAL A 3 3.786 2.696 -3.968 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.934 2.730 -5.489 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.004 4.101 -3.395 1.00 0.00 C ATOM 33 H VAL A 3 1.780 3.832 -4.884 1.00 0.00 H ATOM 34 HA VAL A 3 2.279 1.166 -3.859 1.00 0.00 H ATOM 35 HB VAL A 3 4.517 2.022 -3.553 1.00 0.00 H ATOM 36 HG11 VAL A 3 3.246 2.026 -5.934 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.946 2.461 -5.757 1.00 0.00 H ATOM 38 HG13 VAL A 3 3.718 3.724 -5.850 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.962 4.059 -2.316 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.233 4.763 -3.758 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.971 4.470 -3.704 1.00 0.00 H ATOM 42 N GLY A 4 1.528 3.537 -1.776 1.00 0.00 N ATOM 43 CA GLY A 4 1.226 3.820 -0.346 1.00 0.00 C ATOM 44 C GLY A 4 -0.041 3.066 0.059 1.00 0.00 C ATOM 45 O GLY A 4 -0.109 2.472 1.116 1.00 0.00 O ATOM 46 H GLY A 4 1.276 4.183 -2.467 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.055 3.494 0.268 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.070 4.879 -0.212 1.00 0.00 H ATOM 49 N ARG A 5 -1.044 3.080 -0.775 1.00 0.00 N ATOM 50 CA ARG A 5 -2.299 2.353 -0.433 1.00 0.00 C ATOM 51 C ARG A 5 -2.025 0.847 -0.364 1.00 0.00 C ATOM 52 O ARG A 5 -2.427 0.171 0.565 1.00 0.00 O ATOM 53 CB ARG A 5 -3.273 2.679 -1.568 1.00 0.00 C ATOM 54 CG ARG A 5 -4.234 3.780 -1.115 1.00 0.00 C ATOM 55 CD ARG A 5 -5.673 3.271 -1.205 1.00 0.00 C ATOM 56 NE ARG A 5 -5.841 2.377 -0.027 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.944 2.420 0.670 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.488 3.571 0.960 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.510 1.313 1.069 1.00 0.00 N ATOM 60 H ARG A 5 -0.972 3.563 -1.630 1.00 0.00 H ATOM 61 HA ARG A 5 -2.694 2.708 0.507 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.719 3.018 -2.434 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.836 1.794 -1.824 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.011 4.055 -0.093 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.120 4.643 -1.752 1.00 0.00 H ATOM 66 HD2 ARG A 5 -6.368 4.100 -1.151 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.822 2.714 -2.115 1.00 0.00 H ATOM 68 HE ARG A 5 -5.124 1.758 0.226 1.00 0.00 H ATOM 69 HH11 ARG A 5 -7.056 4.419 0.650 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.333 3.606 1.492 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.097 0.430 0.841 1.00 0.00 H ATOM 72 HH22 ARG A 5 -8.356 1.346 1.602 1.00 0.00 H ATOM 73 N GLN A 6 -1.333 0.315 -1.333 1.00 0.00 N ATOM 74 CA GLN A 6 -1.036 -1.143 -1.307 1.00 0.00 C ATOM 75 C GLN A 6 0.025 -1.447 -0.247 1.00 0.00 C ATOM 76 O GLN A 6 -0.060 -2.432 0.461 1.00 0.00 O ATOM 77 CB GLN A 6 -0.523 -1.474 -2.708 1.00 0.00 C ATOM 78 CG GLN A 6 0.902 -0.943 -2.881 1.00 0.00 C ATOM 79 CD GLN A 6 1.411 -1.314 -4.273 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.789 -0.990 -5.266 1.00 0.00 O ATOM 81 NE2 GLN A 6 2.519 -1.989 -4.391 1.00 0.00 N ATOM 82 H GLN A 6 -1.006 0.873 -2.071 1.00 0.00 H ATOM 83 HA GLN A 6 -1.935 -1.704 -1.105 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.526 -2.546 -2.847 1.00 0.00 H ATOM 85 HB3 GLN A 6 -1.167 -1.014 -3.443 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.903 0.132 -2.769 1.00 0.00 H ATOM 87 HG3 GLN A 6 1.547 -1.384 -2.136 1.00 0.00 H ATOM 88 HE21 GLN A 6 3.019 -2.254 -3.590 1.00 0.00 H ATOM 89 HE22 GLN A 6 2.850 -2.232 -5.280 1.00 0.00 H ATOM 90 N LEU A 7 1.020 -0.608 -0.119 1.00 0.00 N ATOM 91 CA LEU A 7 2.065 -0.866 0.911 1.00 0.00 C ATOM 92 C LEU A 7 1.416 -0.895 2.287 1.00 0.00 C ATOM 93 O LEU A 7 1.745 -1.711 3.126 1.00 0.00 O ATOM 94 CB LEU A 7 3.051 0.300 0.806 1.00 0.00 C ATOM 95 CG LEU A 7 4.053 0.233 1.961 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.457 0.548 1.441 1.00 0.00 C ATOM 97 CD2 LEU A 7 3.668 1.257 3.034 1.00 0.00 C ATOM 98 H LEU A 7 1.076 0.187 -0.692 1.00 0.00 H ATOM 99 HA LEU A 7 2.563 -1.798 0.715 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.580 0.238 -0.133 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.510 1.235 0.854 1.00 0.00 H ATOM 102 HG LEU A 7 4.042 -0.758 2.389 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.910 1.306 2.064 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.393 0.908 0.425 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.060 -0.347 1.469 1.00 0.00 H ATOM 106 HD21 LEU A 7 2.726 1.716 2.772 1.00 0.00 H ATOM 107 HD22 LEU A 7 4.434 2.017 3.099 1.00 0.00 H ATOM 108 HD23 LEU A 7 3.575 0.760 3.987 1.00 0.00 H ATOM 109 N GLU A 8 0.477 -0.025 2.520 1.00 0.00 N ATOM 110 CA GLU A 8 -0.207 -0.022 3.833 1.00 0.00 C ATOM 111 C GLU A 8 -1.154 -1.210 3.884 1.00 0.00 C ATOM 112 O GLU A 8 -1.439 -1.752 4.934 1.00 0.00 O ATOM 113 CB GLU A 8 -0.980 1.297 3.894 1.00 0.00 C ATOM 114 CG GLU A 8 -2.063 1.201 4.971 1.00 0.00 C ATOM 115 CD GLU A 8 -2.063 2.474 5.820 1.00 0.00 C ATOM 116 OE1 GLU A 8 -2.425 3.514 5.292 1.00 0.00 O ATOM 117 OE2 GLU A 8 -1.703 2.386 6.982 1.00 0.00 O ATOM 118 H GLU A 8 0.214 0.612 1.825 1.00 0.00 H ATOM 119 HA GLU A 8 0.510 -0.082 4.630 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.300 2.102 4.135 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.443 1.489 2.937 1.00 0.00 H ATOM 122 HG2 GLU A 8 -3.028 1.081 4.500 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.864 0.349 5.604 1.00 0.00 H ATOM 124 N GLU A 9 -1.623 -1.639 2.747 1.00 0.00 N ATOM 125 CA GLU A 9 -2.525 -2.815 2.733 1.00 0.00 C ATOM 126 C GLU A 9 -1.724 -4.032 3.174 1.00 0.00 C ATOM 127 O GLU A 9 -2.198 -4.883 3.900 1.00 0.00 O ATOM 128 CB GLU A 9 -2.976 -2.955 1.279 1.00 0.00 C ATOM 129 CG GLU A 9 -4.309 -3.704 1.224 1.00 0.00 C ATOM 130 CD GLU A 9 -4.051 -5.194 0.992 1.00 0.00 C ATOM 131 OE1 GLU A 9 -3.013 -5.670 1.419 1.00 0.00 O ATOM 132 OE2 GLU A 9 -4.897 -5.835 0.392 1.00 0.00 O ATOM 133 H GLU A 9 -1.360 -1.201 1.904 1.00 0.00 H ATOM 134 HA GLU A 9 -3.372 -2.656 3.381 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.096 -1.973 0.844 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.231 -3.507 0.723 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.834 -3.571 2.157 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.907 -3.314 0.413 1.00 0.00 H ATOM 139 N PHE A 10 -0.494 -4.096 2.752 1.00 0.00 N ATOM 140 CA PHE A 10 0.379 -5.232 3.153 1.00 0.00 C ATOM 141 C PHE A 10 1.352 -4.773 4.241 1.00 0.00 C ATOM 142 O PHE A 10 2.192 -5.523 4.696 1.00 0.00 O ATOM 143 CB PHE A 10 1.128 -5.631 1.883 1.00 0.00 C ATOM 144 CG PHE A 10 0.797 -7.066 1.548 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.015 -8.070 2.498 1.00 0.00 C ATOM 146 CD2 PHE A 10 0.271 -7.391 0.293 1.00 0.00 C ATOM 147 CE1 PHE A 10 0.705 -9.401 2.192 1.00 0.00 C ATOM 148 CE2 PHE A 10 -0.040 -8.722 -0.013 1.00 0.00 C ATOM 149 CZ PHE A 10 0.179 -9.726 0.937 1.00 0.00 C ATOM 150 H PHE A 10 -0.134 -3.374 2.188 1.00 0.00 H ATOM 151 HA PHE A 10 -0.218 -6.059 3.505 1.00 0.00 H ATOM 152 HB2 PHE A 10 0.825 -4.991 1.068 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.192 -5.534 2.043 1.00 0.00 H ATOM 154 HD1 PHE A 10 1.420 -7.819 3.466 1.00 0.00 H ATOM 155 HD2 PHE A 10 0.104 -6.614 -0.439 1.00 0.00 H ATOM 156 HE1 PHE A 10 0.873 -10.176 2.924 1.00 0.00 H ATOM 157 HE2 PHE A 10 -0.444 -8.974 -0.981 1.00 0.00 H ATOM 158 HZ PHE A 10 -0.060 -10.753 0.701 1.00 0.00 H ATOM 159 N LEU A 11 1.245 -3.540 4.657 1.00 0.00 N ATOM 160 CA LEU A 11 2.165 -3.023 5.710 1.00 0.00 C ATOM 161 C LEU A 11 1.585 -1.752 6.332 1.00 0.00 C ATOM 162 O LEU A 11 0.398 -1.663 6.577 1.00 0.00 O ATOM 163 CB LEU A 11 3.472 -2.716 4.977 1.00 0.00 C ATOM 164 CG LEU A 11 4.654 -3.112 5.864 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.613 -4.620 6.120 1.00 0.00 C ATOM 166 CD2 LEU A 11 5.964 -2.752 5.163 1.00 0.00 C ATOM 167 H LEU A 11 0.562 -2.949 4.273 1.00 0.00 H ATOM 168 HA LEU A 11 2.334 -3.774 6.466 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.508 -3.278 4.055 1.00 0.00 H ATOM 170 HB3 LEU A 11 3.524 -1.660 4.757 1.00 0.00 H ATOM 171 HG LEU A 11 4.589 -2.584 6.805 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.188 -5.119 5.262 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.007 -4.822 6.992 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.616 -4.984 6.287 1.00 0.00 H ATOM 175 HD21 LEU A 11 5.777 -2.576 4.115 1.00 0.00 H ATOM 176 HD22 LEU A 11 6.665 -3.567 5.272 1.00 0.00 H ATOM 177 HD23 LEU A 11 6.378 -1.859 5.609 1.00 0.00 H HETATM 178 N NH2 A 12 2.380 -0.751 6.596 1.00 0.00 N HETATM 179 HN1 NH2 A 12 3.338 -0.820 6.401 1.00 0.00 H HETATM 180 HN2 NH2 A 12 2.019 0.072 6.987 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 60 HETATM 1 C ACE A 1 -0.721 5.611 -3.900 1.00 0.00 C HETATM 2 O ACE A 1 -1.361 4.976 -3.084 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.318 7.063 -3.633 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.013 7.529 -4.560 1.00 0.00 H HETATM 5 H2 ACE A 1 0.503 7.086 -2.932 1.00 0.00 H HETATM 6 H3 ACE A 1 -1.159 7.601 -3.220 1.00 0.00 H ATOM 7 N LEU A 2 -0.347 5.079 -5.032 1.00 0.00 N ATOM 8 CA LEU A 2 -0.709 3.669 -5.341 1.00 0.00 C ATOM 9 C LEU A 2 0.186 2.727 -4.538 1.00 0.00 C ATOM 10 O LEU A 2 -0.280 1.798 -3.907 1.00 0.00 O ATOM 11 CB LEU A 2 -0.462 3.516 -6.843 1.00 0.00 C ATOM 12 CG LEU A 2 -1.653 4.087 -7.614 1.00 0.00 C ATOM 13 CD1 LEU A 2 -1.237 4.387 -9.054 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.792 3.066 -7.618 1.00 0.00 C ATOM 15 H LEU A 2 0.174 5.603 -5.673 1.00 0.00 H ATOM 16 HA LEU A 2 -1.748 3.489 -5.115 1.00 0.00 H ATOM 17 HB2 LEU A 2 0.436 4.053 -7.116 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.344 2.471 -7.085 1.00 0.00 H ATOM 19 HG LEU A 2 -1.986 4.999 -7.138 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.062 4.845 -9.579 1.00 0.00 H ATOM 21 HD12 LEU A 2 -0.962 3.467 -9.548 1.00 0.00 H ATOM 22 HD13 LEU A 2 -0.393 5.061 -9.052 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.734 3.577 -7.758 1.00 0.00 H ATOM 24 HD22 LEU A 2 -2.807 2.539 -6.675 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.642 2.361 -8.422 1.00 0.00 H ATOM 26 N VAL A 3 1.464 2.972 -4.539 1.00 0.00 N ATOM 27 CA VAL A 3 2.386 2.104 -3.755 1.00 0.00 C ATOM 28 C VAL A 3 2.166 2.375 -2.263 1.00 0.00 C ATOM 29 O VAL A 3 2.477 1.557 -1.419 1.00 0.00 O ATOM 30 CB VAL A 3 3.797 2.508 -4.221 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.775 2.545 -3.039 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.296 1.488 -5.247 1.00 0.00 C ATOM 33 H VAL A 3 1.815 3.740 -5.042 1.00 0.00 H ATOM 34 HA VAL A 3 2.204 1.065 -3.981 1.00 0.00 H ATOM 35 HB VAL A 3 3.757 3.484 -4.679 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.772 2.327 -3.391 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.482 1.806 -2.307 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.757 3.526 -2.587 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.453 0.952 -5.660 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.963 0.789 -4.763 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.821 1.999 -6.038 1.00 0.00 H ATOM 42 N GLY A 4 1.614 3.513 -1.940 1.00 0.00 N ATOM 43 CA GLY A 4 1.353 3.838 -0.510 1.00 0.00 C ATOM 44 C GLY A 4 0.094 3.101 -0.067 1.00 0.00 C ATOM 45 O GLY A 4 0.028 2.553 1.015 1.00 0.00 O ATOM 46 H GLY A 4 1.358 4.148 -2.641 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.193 3.523 0.092 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.203 4.901 -0.401 1.00 0.00 H ATOM 49 N ARG A 5 -0.905 3.071 -0.906 1.00 0.00 N ATOM 50 CA ARG A 5 -2.157 2.353 -0.546 1.00 0.00 C ATOM 51 C ARG A 5 -1.881 0.849 -0.489 1.00 0.00 C ATOM 52 O ARG A 5 -2.229 0.175 0.462 1.00 0.00 O ATOM 53 CB ARG A 5 -3.137 2.678 -1.675 1.00 0.00 C ATOM 54 CG ARG A 5 -4.549 2.814 -1.105 1.00 0.00 C ATOM 55 CD ARG A 5 -4.844 4.288 -0.819 1.00 0.00 C ATOM 56 NE ARG A 5 -4.877 4.390 0.665 1.00 0.00 N ATOM 57 CZ ARG A 5 -5.590 5.318 1.240 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.832 5.500 0.884 1.00 0.00 N ATOM 59 NH2 ARG A 5 -5.061 6.064 2.171 1.00 0.00 N ATOM 60 H ARG A 5 -0.825 3.513 -1.779 1.00 0.00 H ATOM 61 HA ARG A 5 -2.542 2.707 0.397 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.848 3.606 -2.148 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.122 1.882 -2.405 1.00 0.00 H ATOM 64 HG2 ARG A 5 -5.265 2.434 -1.820 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.622 2.250 -0.186 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.059 4.913 -1.225 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.801 4.568 -1.232 1.00 0.00 H ATOM 68 HE ARG A 5 -4.364 3.758 1.212 1.00 0.00 H ATOM 69 HH11 ARG A 5 -7.236 4.928 0.171 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.379 6.213 1.324 1.00 0.00 H ATOM 71 HH21 ARG A 5 -4.109 5.925 2.443 1.00 0.00 H ATOM 72 HH22 ARG A 5 -5.609 6.775 2.612 1.00 0.00 H ATOM 73 N GLN A 6 -1.247 0.320 -1.501 1.00 0.00 N ATOM 74 CA GLN A 6 -0.940 -1.139 -1.509 1.00 0.00 C ATOM 75 C GLN A 6 0.056 -1.472 -0.395 1.00 0.00 C ATOM 76 O GLN A 6 -0.134 -2.403 0.361 1.00 0.00 O ATOM 77 CB GLN A 6 -0.325 -1.411 -2.881 1.00 0.00 C ATOM 78 CG GLN A 6 -1.189 -2.426 -3.633 1.00 0.00 C ATOM 79 CD GLN A 6 -2.552 -1.803 -3.945 1.00 0.00 C ATOM 80 OE1 GLN A 6 -2.628 -0.754 -4.551 1.00 0.00 O ATOM 81 NE2 GLN A 6 -3.639 -2.410 -3.553 1.00 0.00 N ATOM 82 H GLN A 6 -0.969 0.883 -2.255 1.00 0.00 H ATOM 83 HA GLN A 6 -1.845 -1.714 -1.390 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.275 -0.490 -3.443 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.670 -1.812 -2.755 1.00 0.00 H ATOM 86 HG2 GLN A 6 -0.698 -2.705 -4.555 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.328 -3.305 -3.020 1.00 0.00 H ATOM 88 HE21 GLN A 6 -3.579 -3.256 -3.063 1.00 0.00 H ATOM 89 HE22 GLN A 6 -4.515 -2.019 -3.748 1.00 0.00 H ATOM 90 N LEU A 7 1.115 -0.714 -0.280 1.00 0.00 N ATOM 91 CA LEU A 7 2.110 -0.990 0.794 1.00 0.00 C ATOM 92 C LEU A 7 1.443 -0.834 2.163 1.00 0.00 C ATOM 93 O LEU A 7 1.607 -1.657 3.047 1.00 0.00 O ATOM 94 CB LEU A 7 3.206 0.059 0.600 1.00 0.00 C ATOM 95 CG LEU A 7 4.335 -0.192 1.599 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.774 -1.655 1.515 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.521 0.716 1.264 1.00 0.00 C ATOM 98 H LEU A 7 1.250 0.038 -0.896 1.00 0.00 H ATOM 99 HA LEU A 7 2.520 -1.980 0.684 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.593 -0.007 -0.408 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.794 1.045 0.764 1.00 0.00 H ATOM 102 HG LEU A 7 3.986 0.021 2.597 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.660 -2.009 0.501 1.00 0.00 H ATOM 104 HD12 LEU A 7 4.162 -2.252 2.176 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.810 -1.738 1.811 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.830 1.246 2.152 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.227 1.426 0.505 1.00 0.00 H ATOM 108 HD23 LEU A 7 6.341 0.117 0.898 1.00 0.00 H ATOM 109 N GLU A 8 0.671 0.204 2.336 1.00 0.00 N ATOM 110 CA GLU A 8 -0.023 0.400 3.635 1.00 0.00 C ATOM 111 C GLU A 8 -0.960 -0.780 3.864 1.00 0.00 C ATOM 112 O GLU A 8 -1.226 -1.175 4.982 1.00 0.00 O ATOM 113 CB GLU A 8 -0.810 1.702 3.479 1.00 0.00 C ATOM 114 CG GLU A 8 -1.381 2.121 4.835 1.00 0.00 C ATOM 115 CD GLU A 8 -2.863 1.747 4.902 1.00 0.00 C ATOM 116 OE1 GLU A 8 -3.150 0.573 5.076 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.685 2.640 4.781 1.00 0.00 O ATOM 118 H GLU A 8 0.537 0.841 1.606 1.00 0.00 H ATOM 119 HA GLU A 8 0.689 0.483 4.440 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.152 2.476 3.111 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.618 1.554 2.779 1.00 0.00 H ATOM 122 HG2 GLU A 8 -0.844 1.615 5.623 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.276 3.189 4.956 1.00 0.00 H ATOM 124 N GLU A 9 -1.441 -1.361 2.800 1.00 0.00 N ATOM 125 CA GLU A 9 -2.340 -2.539 2.939 1.00 0.00 C ATOM 126 C GLU A 9 -1.484 -3.788 3.142 1.00 0.00 C ATOM 127 O GLU A 9 -1.932 -4.793 3.657 1.00 0.00 O ATOM 128 CB GLU A 9 -3.111 -2.615 1.619 1.00 0.00 C ATOM 129 CG GLU A 9 -4.481 -3.250 1.862 1.00 0.00 C ATOM 130 CD GLU A 9 -5.515 -2.153 2.120 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.766 -1.376 1.213 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.040 -2.109 3.221 1.00 0.00 O ATOM 133 H GLU A 9 -1.192 -1.031 1.908 1.00 0.00 H ATOM 134 HA GLU A 9 -3.018 -2.404 3.765 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.240 -1.619 1.219 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.558 -3.217 0.913 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.771 -3.822 0.991 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.429 -3.902 2.720 1.00 0.00 H ATOM 139 N PHE A 10 -0.243 -3.715 2.746 1.00 0.00 N ATOM 140 CA PHE A 10 0.674 -4.873 2.915 1.00 0.00 C ATOM 141 C PHE A 10 1.115 -4.964 4.376 1.00 0.00 C ATOM 142 O PHE A 10 1.409 -6.028 4.885 1.00 0.00 O ATOM 143 CB PHE A 10 1.866 -4.554 2.013 1.00 0.00 C ATOM 144 CG PHE A 10 2.751 -5.769 1.879 1.00 0.00 C ATOM 145 CD1 PHE A 10 3.721 -6.042 2.852 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.608 -6.619 0.776 1.00 0.00 C ATOM 147 CE1 PHE A 10 4.545 -7.165 2.721 1.00 0.00 C ATOM 148 CE2 PHE A 10 3.434 -7.740 0.645 1.00 0.00 C ATOM 149 CZ PHE A 10 4.403 -8.015 1.617 1.00 0.00 C ATOM 150 H PHE A 10 0.090 -2.885 2.345 1.00 0.00 H ATOM 151 HA PHE A 10 0.199 -5.789 2.599 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.507 -4.261 1.038 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.433 -3.742 2.444 1.00 0.00 H ATOM 154 HD1 PHE A 10 3.832 -5.387 3.704 1.00 0.00 H ATOM 155 HD2 PHE A 10 1.860 -6.408 0.026 1.00 0.00 H ATOM 156 HE1 PHE A 10 5.294 -7.377 3.472 1.00 0.00 H ATOM 157 HE2 PHE A 10 3.323 -8.396 -0.206 1.00 0.00 H ATOM 158 HZ PHE A 10 5.040 -8.881 1.516 1.00 0.00 H ATOM 159 N LEU A 11 1.158 -3.849 5.054 1.00 0.00 N ATOM 160 CA LEU A 11 1.577 -3.866 6.487 1.00 0.00 C ATOM 161 C LEU A 11 0.385 -4.216 7.380 1.00 0.00 C ATOM 162 O LEU A 11 0.543 -4.806 8.430 1.00 0.00 O ATOM 163 CB LEU A 11 2.068 -2.447 6.780 1.00 0.00 C ATOM 164 CG LEU A 11 3.596 -2.428 6.809 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.106 -1.198 6.057 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.077 -2.372 8.259 1.00 0.00 C ATOM 167 H LEU A 11 0.913 -3.000 4.621 1.00 0.00 H ATOM 168 HA LEU A 11 2.380 -4.570 6.637 1.00 0.00 H ATOM 169 HB2 LEU A 11 1.713 -1.776 6.010 1.00 0.00 H ATOM 170 HB3 LEU A 11 1.689 -2.126 7.738 1.00 0.00 H ATOM 171 HG LEU A 11 3.976 -3.322 6.335 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.867 -0.308 6.620 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.635 -1.149 5.086 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.177 -1.270 5.934 1.00 0.00 H ATOM 175 HD21 LEU A 11 5.110 -2.055 8.285 1.00 0.00 H ATOM 176 HD22 LEU A 11 3.991 -3.353 8.706 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.472 -1.671 8.813 1.00 0.00 H HETATM 178 N NH2 A 12 -0.816 -3.869 7.003 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.945 -3.393 6.156 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -1.587 -4.082 7.568 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 61 HETATM 1 C ACE A 1 -0.500 5.750 -3.945 1.00 0.00 C HETATM 2 O ACE A 1 -0.807 5.163 -2.925 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.066 7.170 -3.904 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.012 7.617 -4.884 1.00 0.00 H HETATM 5 H2 ACE A 1 1.103 7.136 -3.605 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.494 7.761 -3.193 1.00 0.00 H ATOM 7 N LEU A 2 -0.630 5.184 -5.116 1.00 0.00 N ATOM 8 CA LEU A 2 -1.167 3.796 -5.208 1.00 0.00 C ATOM 9 C LEU A 2 -0.182 2.838 -4.547 1.00 0.00 C ATOM 10 O LEU A 2 -0.559 1.831 -3.982 1.00 0.00 O ATOM 11 CB LEU A 2 -1.303 3.497 -6.705 1.00 0.00 C ATOM 12 CG LEU A 2 -0.044 3.949 -7.446 1.00 0.00 C ATOM 13 CD1 LEU A 2 0.536 2.773 -8.232 1.00 0.00 C ATOM 14 CD2 LEU A 2 -0.407 5.076 -8.414 1.00 0.00 C ATOM 15 H LEU A 2 -0.368 5.665 -5.925 1.00 0.00 H ATOM 16 HA LEU A 2 -2.130 3.733 -4.727 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.439 2.434 -6.845 1.00 0.00 H ATOM 18 HB3 LEU A 2 -2.159 4.023 -7.099 1.00 0.00 H ATOM 19 HG LEU A 2 0.685 4.303 -6.735 1.00 0.00 H ATOM 20 HD11 LEU A 2 1.252 2.248 -7.618 1.00 0.00 H ATOM 21 HD12 LEU A 2 1.026 3.142 -9.121 1.00 0.00 H ATOM 22 HD13 LEU A 2 -0.260 2.100 -8.513 1.00 0.00 H ATOM 23 HD21 LEU A 2 -1.091 5.759 -7.933 1.00 0.00 H ATOM 24 HD22 LEU A 2 -0.876 4.657 -9.293 1.00 0.00 H ATOM 25 HD23 LEU A 2 0.489 5.605 -8.702 1.00 0.00 H ATOM 26 N VAL A 3 1.081 3.157 -4.594 1.00 0.00 N ATOM 27 CA VAL A 3 2.089 2.276 -3.945 1.00 0.00 C ATOM 28 C VAL A 3 2.025 2.481 -2.433 1.00 0.00 C ATOM 29 O VAL A 3 2.377 1.612 -1.658 1.00 0.00 O ATOM 30 CB VAL A 3 3.442 2.721 -4.498 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.735 4.154 -4.050 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.535 1.790 -3.969 1.00 0.00 C ATOM 33 H VAL A 3 1.362 3.986 -5.039 1.00 0.00 H ATOM 34 HA VAL A 3 1.905 1.242 -4.195 1.00 0.00 H ATOM 35 HB VAL A 3 3.421 2.679 -5.578 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.345 4.645 -4.793 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.259 4.136 -3.107 1.00 0.00 H ATOM 38 HG13 VAL A 3 2.805 4.691 -3.934 1.00 0.00 H ATOM 39 HG21 VAL A 3 5.501 2.255 -4.105 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.506 0.856 -4.511 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.371 1.603 -2.919 1.00 0.00 H ATOM 42 N GLY A 4 1.554 3.625 -2.011 1.00 0.00 N ATOM 43 CA GLY A 4 1.439 3.890 -0.552 1.00 0.00 C ATOM 44 C GLY A 4 0.256 3.087 -0.019 1.00 0.00 C ATOM 45 O GLY A 4 0.350 2.409 0.984 1.00 0.00 O ATOM 46 H GLY A 4 1.260 4.301 -2.655 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.348 3.583 -0.051 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.264 4.941 -0.384 1.00 0.00 H ATOM 49 N ARG A 5 -0.857 3.145 -0.703 1.00 0.00 N ATOM 50 CA ARG A 5 -2.046 2.367 -0.255 1.00 0.00 C ATOM 51 C ARG A 5 -1.724 0.871 -0.313 1.00 0.00 C ATOM 52 O ARG A 5 -2.096 0.110 0.559 1.00 0.00 O ATOM 53 CB ARG A 5 -3.152 2.722 -1.251 1.00 0.00 C ATOM 54 CG ARG A 5 -4.017 3.845 -0.674 1.00 0.00 C ATOM 55 CD ARG A 5 -4.780 4.540 -1.804 1.00 0.00 C ATOM 56 NE ARG A 5 -3.970 5.749 -2.127 1.00 0.00 N ATOM 57 CZ ARG A 5 -4.405 6.611 -3.007 1.00 0.00 C ATOM 58 NH1 ARG A 5 -5.602 7.117 -2.888 1.00 0.00 N ATOM 59 NH2 ARG A 5 -3.644 6.966 -4.006 1.00 0.00 N ATOM 60 H ARG A 5 -0.902 3.687 -1.520 1.00 0.00 H ATOM 61 HA ARG A 5 -2.336 2.657 0.742 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.709 3.050 -2.181 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.767 1.853 -1.432 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.722 3.427 0.032 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.387 4.563 -0.172 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.849 3.888 -2.664 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.763 4.833 -1.470 1.00 0.00 H ATOM 68 HE ARG A 5 -3.110 5.897 -1.680 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.187 6.846 -2.123 1.00 0.00 H ATOM 70 HH12 ARG A 5 -5.935 7.777 -3.562 1.00 0.00 H ATOM 71 HH21 ARG A 5 -2.726 6.577 -4.098 1.00 0.00 H ATOM 72 HH22 ARG A 5 -3.976 7.628 -4.678 1.00 0.00 H ATOM 73 N GLN A 6 -1.018 0.451 -1.329 1.00 0.00 N ATOM 74 CA GLN A 6 -0.650 -0.990 -1.443 1.00 0.00 C ATOM 75 C GLN A 6 0.256 -1.378 -0.274 1.00 0.00 C ATOM 76 O GLN A 6 -0.084 -2.215 0.541 1.00 0.00 O ATOM 77 CB GLN A 6 0.101 -1.096 -2.771 1.00 0.00 C ATOM 78 CG GLN A 6 0.601 -2.527 -2.970 1.00 0.00 C ATOM 79 CD GLN A 6 1.920 -2.498 -3.744 1.00 0.00 C ATOM 80 OE1 GLN A 6 2.912 -1.989 -3.259 1.00 0.00 O ATOM 81 NE2 GLN A 6 1.974 -3.022 -4.938 1.00 0.00 N ATOM 82 H GLN A 6 -0.720 1.085 -2.014 1.00 0.00 H ATOM 83 HA GLN A 6 -1.534 -1.608 -1.465 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.563 -0.830 -3.582 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.945 -0.422 -2.761 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.756 -2.992 -2.007 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.130 -3.092 -3.529 1.00 0.00 H ATOM 88 HE21 GLN A 6 1.174 -3.430 -5.331 1.00 0.00 H ATOM 89 HE22 GLN A 6 2.814 -3.007 -5.441 1.00 0.00 H ATOM 90 N LEU A 7 1.404 -0.764 -0.174 1.00 0.00 N ATOM 91 CA LEU A 7 2.319 -1.088 0.955 1.00 0.00 C ATOM 92 C LEU A 7 1.529 -1.080 2.262 1.00 0.00 C ATOM 93 O LEU A 7 1.650 -1.968 3.084 1.00 0.00 O ATOM 94 CB LEU A 7 3.366 0.025 0.955 1.00 0.00 C ATOM 95 CG LEU A 7 4.727 -0.557 0.576 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.804 -0.732 -0.941 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.832 0.397 1.036 1.00 0.00 C ATOM 98 H LEU A 7 1.657 -0.084 -0.833 1.00 0.00 H ATOM 99 HA LEU A 7 2.790 -2.046 0.801 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.084 0.784 0.240 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.425 0.463 1.941 1.00 0.00 H ATOM 102 HG LEU A 7 4.854 -1.517 1.056 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.815 -0.550 -1.272 1.00 0.00 H ATOM 104 HD12 LEU A 7 4.136 -0.031 -1.418 1.00 0.00 H ATOM 105 HD13 LEU A 7 4.515 -1.740 -1.202 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.439 1.069 1.786 1.00 0.00 H ATOM 107 HD22 LEU A 7 6.188 0.968 0.193 1.00 0.00 H ATOM 108 HD23 LEU A 7 6.648 -0.173 1.456 1.00 0.00 H ATOM 109 N GLU A 8 0.701 -0.089 2.450 1.00 0.00 N ATOM 110 CA GLU A 8 -0.114 -0.030 3.691 1.00 0.00 C ATOM 111 C GLU A 8 -1.078 -1.209 3.693 1.00 0.00 C ATOM 112 O GLU A 8 -1.491 -1.692 4.730 1.00 0.00 O ATOM 113 CB GLU A 8 -0.870 1.299 3.618 1.00 0.00 C ATOM 114 CG GLU A 8 -0.816 1.990 4.982 1.00 0.00 C ATOM 115 CD GLU A 8 -1.371 3.411 4.861 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.663 3.819 3.749 1.00 0.00 O ATOM 117 OE2 GLU A 8 -1.494 4.067 5.882 1.00 0.00 O ATOM 118 H GLU A 8 0.607 0.606 1.768 1.00 0.00 H ATOM 119 HA GLU A 8 0.520 -0.055 4.562 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.410 1.934 2.875 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.898 1.115 3.348 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.410 1.431 5.691 1.00 0.00 H ATOM 123 HG3 GLU A 8 0.206 2.033 5.323 1.00 0.00 H ATOM 124 N GLU A 9 -1.418 -1.691 2.529 1.00 0.00 N ATOM 125 CA GLU A 9 -2.331 -2.862 2.447 1.00 0.00 C ATOM 126 C GLU A 9 -1.596 -4.086 2.983 1.00 0.00 C ATOM 127 O GLU A 9 -2.180 -4.975 3.571 1.00 0.00 O ATOM 128 CB GLU A 9 -2.643 -3.025 0.960 1.00 0.00 C ATOM 129 CG GLU A 9 -4.075 -3.534 0.788 1.00 0.00 C ATOM 130 CD GLU A 9 -5.061 -2.420 1.141 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.680 -1.532 1.886 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.182 -2.473 0.660 1.00 0.00 O ATOM 133 H GLU A 9 -1.052 -1.295 1.710 1.00 0.00 H ATOM 134 HA GLU A 9 -3.235 -2.680 3.007 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.537 -2.071 0.463 1.00 0.00 H ATOM 136 HB3 GLU A 9 -1.957 -3.736 0.524 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.228 -3.840 -0.236 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.238 -4.377 1.443 1.00 0.00 H ATOM 139 N PHE A 10 -0.306 -4.119 2.795 1.00 0.00 N ATOM 140 CA PHE A 10 0.495 -5.266 3.302 1.00 0.00 C ATOM 141 C PHE A 10 1.096 -4.904 4.664 1.00 0.00 C ATOM 142 O PHE A 10 1.678 -5.730 5.338 1.00 0.00 O ATOM 143 CB PHE A 10 1.597 -5.474 2.262 1.00 0.00 C ATOM 144 CG PHE A 10 2.310 -6.775 2.540 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.574 -7.918 2.874 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.706 -6.837 2.466 1.00 0.00 C ATOM 147 CE1 PHE A 10 2.236 -9.124 3.135 1.00 0.00 C ATOM 148 CE2 PHE A 10 4.367 -8.042 2.728 1.00 0.00 C ATOM 149 CZ PHE A 10 3.633 -9.186 3.062 1.00 0.00 C ATOM 150 H PHE A 10 0.139 -3.375 2.327 1.00 0.00 H ATOM 151 HA PHE A 10 -0.116 -6.151 3.379 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.159 -5.507 1.275 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.303 -4.658 2.315 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.497 -7.870 2.930 1.00 0.00 H ATOM 155 HD2 PHE A 10 4.272 -5.954 2.208 1.00 0.00 H ATOM 156 HE1 PHE A 10 1.669 -10.006 3.394 1.00 0.00 H ATOM 157 HE2 PHE A 10 5.444 -8.090 2.671 1.00 0.00 H ATOM 158 HZ PHE A 10 4.143 -10.116 3.264 1.00 0.00 H ATOM 159 N LEU A 11 0.955 -3.669 5.070 1.00 0.00 N ATOM 160 CA LEU A 11 1.514 -3.243 6.386 1.00 0.00 C ATOM 161 C LEU A 11 0.640 -2.144 7.002 1.00 0.00 C ATOM 162 O LEU A 11 0.950 -0.974 6.907 1.00 0.00 O ATOM 163 CB LEU A 11 2.906 -2.700 6.067 1.00 0.00 C ATOM 164 CG LEU A 11 3.723 -2.592 7.355 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.493 -3.895 7.580 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.712 -1.430 7.233 1.00 0.00 C ATOM 167 H LEU A 11 0.482 -3.020 4.508 1.00 0.00 H ATOM 168 HA LEU A 11 1.591 -4.085 7.055 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.403 -3.369 5.379 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.817 -1.722 5.617 1.00 0.00 H ATOM 171 HG LEU A 11 3.059 -2.418 8.190 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.099 -4.662 6.930 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.385 -4.205 8.609 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.539 -3.738 7.358 1.00 0.00 H ATOM 175 HD21 LEU A 11 5.699 -1.818 7.026 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.731 -0.875 8.159 1.00 0.00 H ATOM 177 HD23 LEU A 11 4.404 -0.779 6.429 1.00 0.00 H HETATM 178 N NH2 A 12 -0.450 -2.478 7.638 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.703 -3.421 7.717 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -1.017 -1.785 8.037 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 62 HETATM 1 C ACE A 1 -0.664 5.588 -4.218 1.00 0.00 C HETATM 2 O ACE A 1 -0.716 5.197 -3.064 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.204 7.010 -4.556 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.711 7.715 -3.911 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.440 7.230 -5.585 1.00 0.00 H HETATM 6 H3 ACE A 1 0.862 7.088 -4.405 1.00 0.00 H ATOM 7 N LEU A 2 -1.000 4.808 -5.211 1.00 0.00 N ATOM 8 CA LEU A 2 -1.455 3.418 -4.932 1.00 0.00 C ATOM 9 C LEU A 2 -0.293 2.607 -4.367 1.00 0.00 C ATOM 10 O LEU A 2 -0.481 1.617 -3.692 1.00 0.00 O ATOM 11 CB LEU A 2 -1.960 2.871 -6.282 1.00 0.00 C ATOM 12 CG LEU A 2 -0.855 2.126 -7.049 1.00 0.00 C ATOM 13 CD1 LEU A 2 -1.501 1.112 -7.994 1.00 0.00 C ATOM 14 CD2 LEU A 2 -0.032 3.123 -7.869 1.00 0.00 C ATOM 15 H LEU A 2 -0.952 5.134 -6.132 1.00 0.00 H ATOM 16 HA LEU A 2 -2.266 3.436 -4.221 1.00 0.00 H ATOM 17 HB2 LEU A 2 -2.781 2.193 -6.100 1.00 0.00 H ATOM 18 HB3 LEU A 2 -2.313 3.696 -6.883 1.00 0.00 H ATOM 19 HG LEU A 2 -0.211 1.603 -6.361 1.00 0.00 H ATOM 20 HD11 LEU A 2 -1.698 1.582 -8.947 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.429 0.764 -7.566 1.00 0.00 H ATOM 22 HD13 LEU A 2 -0.833 0.275 -8.136 1.00 0.00 H ATOM 23 HD21 LEU A 2 0.885 3.349 -7.348 1.00 0.00 H ATOM 24 HD22 LEU A 2 -0.601 4.031 -8.007 1.00 0.00 H ATOM 25 HD23 LEU A 2 0.197 2.693 -8.834 1.00 0.00 H ATOM 26 N VAL A 3 0.908 3.035 -4.623 1.00 0.00 N ATOM 27 CA VAL A 3 2.084 2.306 -4.078 1.00 0.00 C ATOM 28 C VAL A 3 2.134 2.531 -2.567 1.00 0.00 C ATOM 29 O VAL A 3 2.502 1.660 -1.799 1.00 0.00 O ATOM 30 CB VAL A 3 3.295 2.938 -4.767 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.574 2.545 -4.024 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.372 2.444 -6.214 1.00 0.00 C ATOM 33 H VAL A 3 1.036 3.847 -5.159 1.00 0.00 H ATOM 34 HA VAL A 3 2.025 1.254 -4.309 1.00 0.00 H ATOM 35 HB VAL A 3 3.193 4.014 -4.758 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.334 1.848 -3.236 1.00 0.00 H ATOM 37 HG12 VAL A 3 5.029 3.429 -3.597 1.00 0.00 H ATOM 38 HG13 VAL A 3 5.265 2.084 -4.714 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.960 1.540 -6.255 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.834 3.202 -6.830 1.00 0.00 H ATOM 41 HG23 VAL A 3 2.375 2.243 -6.579 1.00 0.00 H ATOM 42 N GLY A 4 1.730 3.697 -2.140 1.00 0.00 N ATOM 43 CA GLY A 4 1.718 3.998 -0.682 1.00 0.00 C ATOM 44 C GLY A 4 0.548 3.250 -0.057 1.00 0.00 C ATOM 45 O GLY A 4 0.672 2.634 0.986 1.00 0.00 O ATOM 46 H GLY A 4 1.414 4.368 -2.779 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.647 3.671 -0.234 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.589 5.057 -0.529 1.00 0.00 H ATOM 49 N ARG A 5 -0.588 3.278 -0.702 1.00 0.00 N ATOM 50 CA ARG A 5 -1.763 2.543 -0.159 1.00 0.00 C ATOM 51 C ARG A 5 -1.451 1.047 -0.164 1.00 0.00 C ATOM 52 O ARG A 5 -1.814 0.318 0.738 1.00 0.00 O ATOM 53 CB ARG A 5 -2.912 2.861 -1.113 1.00 0.00 C ATOM 54 CG ARG A 5 -3.607 4.147 -0.666 1.00 0.00 C ATOM 55 CD ARG A 5 -4.419 3.875 0.602 1.00 0.00 C ATOM 56 NE ARG A 5 -5.819 4.226 0.237 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.811 3.480 0.641 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.116 2.389 -0.007 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.502 3.824 1.694 1.00 0.00 N ATOM 60 H ARG A 5 -0.658 3.767 -1.553 1.00 0.00 H ATOM 61 HA ARG A 5 -1.998 2.881 0.837 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.523 2.990 -2.114 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.621 2.049 -1.104 1.00 0.00 H ATOM 64 HG2 ARG A 5 -2.865 4.908 -0.464 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.267 4.488 -1.446 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.348 2.832 0.878 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.079 4.504 1.410 1.00 0.00 H ATOM 68 HE ARG A 5 -5.997 5.020 -0.312 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.591 2.124 -0.815 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.878 1.818 0.304 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.274 4.662 2.191 1.00 0.00 H ATOM 72 HH22 ARG A 5 -8.261 3.251 2.002 1.00 0.00 H ATOM 73 N GLN A 6 -0.751 0.595 -1.172 1.00 0.00 N ATOM 74 CA GLN A 6 -0.379 -0.844 -1.239 1.00 0.00 C ATOM 75 C GLN A 6 0.514 -1.169 -0.048 1.00 0.00 C ATOM 76 O GLN A 6 0.343 -2.167 0.620 1.00 0.00 O ATOM 77 CB GLN A 6 0.400 -0.994 -2.544 1.00 0.00 C ATOM 78 CG GLN A 6 -0.432 -1.785 -3.556 1.00 0.00 C ATOM 79 CD GLN A 6 -0.328 -1.115 -4.926 1.00 0.00 C ATOM 80 OE1 GLN A 6 -1.271 -1.122 -5.693 1.00 0.00 O ATOM 81 NE2 GLN A 6 0.788 -0.529 -5.267 1.00 0.00 N ATOM 82 H GLN A 6 -0.454 1.209 -1.873 1.00 0.00 H ATOM 83 HA GLN A 6 -1.256 -1.470 -1.247 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.620 -0.016 -2.945 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.323 -1.520 -2.355 1.00 0.00 H ATOM 86 HG2 GLN A 6 -0.057 -2.796 -3.618 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.463 -1.801 -3.241 1.00 0.00 H ATOM 88 HE21 GLN A 6 1.546 -0.520 -4.644 1.00 0.00 H ATOM 89 HE22 GLN A 6 0.868 -0.100 -6.144 1.00 0.00 H ATOM 90 N LEU A 7 1.461 -0.316 0.231 1.00 0.00 N ATOM 91 CA LEU A 7 2.356 -0.561 1.392 1.00 0.00 C ATOM 92 C LEU A 7 1.510 -0.729 2.657 1.00 0.00 C ATOM 93 O LEU A 7 1.605 -1.718 3.362 1.00 0.00 O ATOM 94 CB LEU A 7 3.227 0.691 1.481 1.00 0.00 C ATOM 95 CG LEU A 7 4.582 0.327 2.084 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.572 0.026 0.959 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.101 1.496 2.925 1.00 0.00 C ATOM 98 H LEU A 7 1.575 0.494 -0.317 1.00 0.00 H ATOM 99 HA LEU A 7 2.969 -1.432 1.226 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.371 1.096 0.489 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.741 1.428 2.104 1.00 0.00 H ATOM 102 HG LEU A 7 4.473 -0.547 2.709 1.00 0.00 H ATOM 103 HD11 LEU A 7 6.572 -0.026 1.363 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.524 0.810 0.217 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.318 -0.918 0.502 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.659 2.174 2.295 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.744 1.119 3.707 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.266 2.020 3.366 1.00 0.00 H ATOM 109 N GLU A 8 0.664 0.222 2.936 1.00 0.00 N ATOM 110 CA GLU A 8 -0.203 0.108 4.136 1.00 0.00 C ATOM 111 C GLU A 8 -1.145 -1.077 3.951 1.00 0.00 C ATOM 112 O GLU A 8 -1.643 -1.645 4.901 1.00 0.00 O ATOM 113 CB GLU A 8 -0.977 1.427 4.189 1.00 0.00 C ATOM 114 CG GLU A 8 -2.146 1.309 5.173 1.00 0.00 C ATOM 115 CD GLU A 8 -2.811 2.679 5.326 1.00 0.00 C ATOM 116 OE1 GLU A 8 -2.610 3.512 4.457 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.509 2.872 6.308 1.00 0.00 O ATOM 118 H GLU A 8 0.585 1.001 2.344 1.00 0.00 H ATOM 119 HA GLU A 8 0.395 -0.015 5.024 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.316 2.216 4.512 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.361 1.658 3.206 1.00 0.00 H ATOM 122 HG2 GLU A 8 -2.864 0.596 4.796 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.779 0.980 6.133 1.00 0.00 H ATOM 124 N GLU A 9 -1.374 -1.464 2.725 1.00 0.00 N ATOM 125 CA GLU A 9 -2.270 -2.626 2.469 1.00 0.00 C ATOM 126 C GLU A 9 -1.484 -3.922 2.659 1.00 0.00 C ATOM 127 O GLU A 9 -2.040 -4.965 2.944 1.00 0.00 O ATOM 128 CB GLU A 9 -2.729 -2.484 1.017 1.00 0.00 C ATOM 129 CG GLU A 9 -3.892 -1.494 0.934 1.00 0.00 C ATOM 130 CD GLU A 9 -4.245 -1.249 -0.534 1.00 0.00 C ATOM 131 OE1 GLU A 9 -3.408 -1.527 -1.377 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.346 -0.792 -0.791 1.00 0.00 O ATOM 133 H GLU A 9 -0.946 -0.996 1.976 1.00 0.00 H ATOM 134 HA GLU A 9 -3.117 -2.602 3.134 1.00 0.00 H ATOM 135 HB2 GLU A 9 -1.907 -2.125 0.415 1.00 0.00 H ATOM 136 HB3 GLU A 9 -3.052 -3.446 0.647 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.750 -1.903 1.449 1.00 0.00 H ATOM 138 HG3 GLU A 9 -3.606 -0.562 1.394 1.00 0.00 H ATOM 139 N PHE A 10 -0.189 -3.860 2.523 1.00 0.00 N ATOM 140 CA PHE A 10 0.631 -5.084 2.717 1.00 0.00 C ATOM 141 C PHE A 10 0.907 -5.246 4.207 1.00 0.00 C ATOM 142 O PHE A 10 1.152 -6.332 4.695 1.00 0.00 O ATOM 143 CB PHE A 10 1.938 -4.838 1.954 1.00 0.00 C ATOM 144 CG PHE A 10 1.768 -5.112 0.470 1.00 0.00 C ATOM 145 CD1 PHE A 10 0.798 -6.016 0.004 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.607 -4.462 -0.447 1.00 0.00 C ATOM 147 CE1 PHE A 10 0.669 -6.259 -1.369 1.00 0.00 C ATOM 148 CE2 PHE A 10 2.476 -4.711 -1.818 1.00 0.00 C ATOM 149 CZ PHE A 10 1.510 -5.609 -2.278 1.00 0.00 C ATOM 150 H PHE A 10 0.245 -3.006 2.310 1.00 0.00 H ATOM 151 HA PHE A 10 0.121 -5.948 2.334 1.00 0.00 H ATOM 152 HB2 PHE A 10 2.240 -3.812 2.091 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.704 -5.488 2.349 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.147 -6.521 0.696 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.355 -3.766 -0.095 1.00 0.00 H ATOM 156 HE1 PHE A 10 -0.077 -6.953 -1.727 1.00 0.00 H ATOM 157 HE2 PHE A 10 3.122 -4.207 -2.521 1.00 0.00 H ATOM 158 HZ PHE A 10 1.412 -5.801 -3.336 1.00 0.00 H ATOM 159 N LEU A 11 0.854 -4.165 4.936 1.00 0.00 N ATOM 160 CA LEU A 11 1.097 -4.246 6.404 1.00 0.00 C ATOM 161 C LEU A 11 -0.191 -4.662 7.118 1.00 0.00 C ATOM 162 O LEU A 11 -0.267 -4.645 8.330 1.00 0.00 O ATOM 163 CB LEU A 11 1.510 -2.835 6.825 1.00 0.00 C ATOM 164 CG LEU A 11 2.848 -2.891 7.566 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.647 -1.621 7.271 1.00 0.00 C ATOM 166 CD2 LEU A 11 2.598 -2.993 9.073 1.00 0.00 C ATOM 167 H LEU A 11 0.642 -3.299 4.516 1.00 0.00 H ATOM 168 HA LEU A 11 1.892 -4.943 6.619 1.00 0.00 H ATOM 169 HB2 LEU A 11 1.608 -2.212 5.946 1.00 0.00 H ATOM 170 HB3 LEU A 11 0.756 -2.419 7.476 1.00 0.00 H ATOM 171 HG LEU A 11 3.408 -3.753 7.232 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.067 -0.972 6.632 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.570 -1.884 6.777 1.00 0.00 H ATOM 174 HD13 LEU A 11 3.865 -1.112 8.197 1.00 0.00 H ATOM 175 HD21 LEU A 11 1.548 -2.850 9.277 1.00 0.00 H ATOM 176 HD22 LEU A 11 3.172 -2.233 9.583 1.00 0.00 H ATOM 177 HD23 LEU A 11 2.904 -3.968 9.423 1.00 0.00 H HETATM 178 N NH2 A 12 -1.219 -5.042 6.406 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -1.160 -5.057 5.426 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -2.050 -5.314 6.850 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 63 HETATM 1 C ACE A 1 -0.892 5.407 -4.122 1.00 0.00 C HETATM 2 O ACE A 1 -1.501 4.813 -3.253 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.546 6.890 -3.978 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.790 7.407 -4.895 1.00 0.00 H HETATM 5 H2 ACE A 1 0.508 6.998 -3.774 1.00 0.00 H HETATM 6 H3 ACE A 1 -1.116 7.314 -3.165 1.00 0.00 H ATOM 7 N LEU A 2 -0.502 4.799 -5.210 1.00 0.00 N ATOM 8 CA LEU A 2 -0.806 3.354 -5.401 1.00 0.00 C ATOM 9 C LEU A 2 0.128 2.522 -4.531 1.00 0.00 C ATOM 10 O LEU A 2 -0.299 1.666 -3.782 1.00 0.00 O ATOM 11 CB LEU A 2 -0.546 3.087 -6.885 1.00 0.00 C ATOM 12 CG LEU A 2 -1.741 2.353 -7.494 1.00 0.00 C ATOM 13 CD1 LEU A 2 -1.963 1.033 -6.753 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.993 3.223 -7.371 1.00 0.00 C ATOM 15 H LEU A 2 -0.003 5.288 -5.895 1.00 0.00 H ATOM 16 HA LEU A 2 -1.835 3.147 -5.155 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.402 4.027 -7.398 1.00 0.00 H ATOM 18 HB3 LEU A 2 0.339 2.479 -6.991 1.00 0.00 H ATOM 19 HG LEU A 2 -1.544 2.150 -8.538 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.846 0.547 -7.141 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.091 1.230 -5.699 1.00 0.00 H ATOM 22 HD13 LEU A 2 -1.106 0.392 -6.897 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.810 2.626 -6.993 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.253 3.617 -8.342 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.798 4.040 -6.691 1.00 0.00 H ATOM 26 N VAL A 3 1.401 2.781 -4.609 1.00 0.00 N ATOM 27 CA VAL A 3 2.358 2.018 -3.767 1.00 0.00 C ATOM 28 C VAL A 3 2.188 2.451 -2.312 1.00 0.00 C ATOM 29 O VAL A 3 2.575 1.757 -1.394 1.00 0.00 O ATOM 30 CB VAL A 3 3.744 2.387 -4.292 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.895 1.873 -5.725 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.910 3.908 -4.275 1.00 0.00 C ATOM 33 H VAL A 3 1.722 3.489 -5.209 1.00 0.00 H ATOM 34 HA VAL A 3 2.190 0.956 -3.868 1.00 0.00 H ATOM 35 HB VAL A 3 4.500 1.933 -3.666 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.878 1.444 -5.855 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.766 2.693 -6.417 1.00 0.00 H ATOM 38 HG13 VAL A 3 3.146 1.119 -5.918 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.165 4.253 -5.266 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.697 4.178 -3.587 1.00 0.00 H ATOM 41 HG23 VAL A 3 2.984 4.367 -3.962 1.00 0.00 H ATOM 42 N GLY A 4 1.588 3.592 -2.100 1.00 0.00 N ATOM 43 CA GLY A 4 1.368 4.072 -0.711 1.00 0.00 C ATOM 44 C GLY A 4 0.204 3.292 -0.110 1.00 0.00 C ATOM 45 O GLY A 4 0.288 2.776 0.989 1.00 0.00 O ATOM 46 H GLY A 4 1.270 4.126 -2.857 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.261 3.907 -0.124 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.127 5.124 -0.722 1.00 0.00 H ATOM 49 N ARG A 5 -0.880 3.182 -0.831 1.00 0.00 N ATOM 50 CA ARG A 5 -2.038 2.415 -0.299 1.00 0.00 C ATOM 51 C ARG A 5 -1.700 0.923 -0.300 1.00 0.00 C ATOM 52 O ARG A 5 -2.155 0.171 0.540 1.00 0.00 O ATOM 53 CB ARG A 5 -3.197 2.715 -1.252 1.00 0.00 C ATOM 54 CG ARG A 5 -3.409 4.228 -1.336 1.00 0.00 C ATOM 55 CD ARG A 5 -4.756 4.597 -0.709 1.00 0.00 C ATOM 56 NE ARG A 5 -5.357 5.590 -1.643 1.00 0.00 N ATOM 57 CZ ARG A 5 -4.677 6.646 -2.001 1.00 0.00 C ATOM 58 NH1 ARG A 5 -4.170 7.434 -1.093 1.00 0.00 N ATOM 59 NH2 ARG A 5 -4.506 6.913 -3.267 1.00 0.00 N ATOM 60 H ARG A 5 -0.925 3.593 -1.725 1.00 0.00 H ATOM 61 HA ARG A 5 -2.283 2.746 0.698 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.967 2.327 -2.233 1.00 0.00 H ATOM 63 HB3 ARG A 5 -4.098 2.249 -0.881 1.00 0.00 H ATOM 64 HG2 ARG A 5 -2.613 4.731 -0.805 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.400 4.535 -2.371 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.385 3.721 -0.629 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.609 5.045 0.263 1.00 0.00 H ATOM 68 HE ARG A 5 -6.264 5.452 -1.987 1.00 0.00 H ATOM 69 HH11 ARG A 5 -4.304 7.231 -0.123 1.00 0.00 H ATOM 70 HH12 ARG A 5 -3.647 8.241 -1.368 1.00 0.00 H ATOM 71 HH21 ARG A 5 -4.899 6.310 -3.962 1.00 0.00 H ATOM 72 HH22 ARG A 5 -3.983 7.720 -3.541 1.00 0.00 H ATOM 73 N GLN A 6 -0.887 0.493 -1.229 1.00 0.00 N ATOM 74 CA GLN A 6 -0.504 -0.946 -1.278 1.00 0.00 C ATOM 75 C GLN A 6 0.416 -1.275 -0.099 1.00 0.00 C ATOM 76 O GLN A 6 0.255 -2.282 0.562 1.00 0.00 O ATOM 77 CB GLN A 6 0.242 -1.120 -2.603 1.00 0.00 C ATOM 78 CG GLN A 6 -0.762 -1.379 -3.727 1.00 0.00 C ATOM 79 CD GLN A 6 -0.012 -1.797 -4.993 1.00 0.00 C ATOM 80 OE1 GLN A 6 1.125 -1.419 -5.192 1.00 0.00 O ATOM 81 NE2 GLN A 6 -0.604 -2.568 -5.864 1.00 0.00 N ATOM 82 H GLN A 6 -0.521 1.119 -1.888 1.00 0.00 H ATOM 83 HA GLN A 6 -1.381 -1.573 -1.262 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.804 -0.223 -2.819 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.918 -1.959 -2.527 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.439 -2.169 -3.431 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.323 -0.478 -3.924 1.00 0.00 H ATOM 88 HE21 GLN A 6 -1.521 -2.873 -5.705 1.00 0.00 H ATOM 89 HE22 GLN A 6 -0.130 -2.840 -6.678 1.00 0.00 H ATOM 90 N LEU A 7 1.378 -0.432 0.171 1.00 0.00 N ATOM 91 CA LEU A 7 2.298 -0.702 1.311 1.00 0.00 C ATOM 92 C LEU A 7 1.512 -0.702 2.622 1.00 0.00 C ATOM 93 O LEU A 7 1.560 -1.647 3.388 1.00 0.00 O ATOM 94 CB LEU A 7 3.314 0.443 1.293 1.00 0.00 C ATOM 95 CG LEU A 7 4.686 -0.081 1.723 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.538 -0.930 2.987 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.279 -0.935 0.600 1.00 0.00 C ATOM 98 H LEU A 7 1.491 0.377 -0.374 1.00 0.00 H ATOM 99 HA LEU A 7 2.800 -1.645 1.175 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.381 0.847 0.294 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.997 1.218 1.975 1.00 0.00 H ATOM 102 HG LEU A 7 5.341 0.755 1.926 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.141 -0.320 3.785 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.505 -1.316 3.276 1.00 0.00 H ATOM 105 HD13 LEU A 7 3.865 -1.752 2.792 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.323 -1.966 0.917 1.00 0.00 H ATOM 107 HD22 LEU A 7 6.274 -0.586 0.369 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.657 -0.855 -0.280 1.00 0.00 H ATOM 109 N GLU A 8 0.772 0.342 2.879 1.00 0.00 N ATOM 110 CA GLU A 8 -0.029 0.384 4.132 1.00 0.00 C ATOM 111 C GLU A 8 -1.062 -0.735 4.093 1.00 0.00 C ATOM 112 O GLU A 8 -1.516 -1.218 5.111 1.00 0.00 O ATOM 113 CB GLU A 8 -0.712 1.753 4.129 1.00 0.00 C ATOM 114 CG GLU A 8 -1.224 2.076 5.534 1.00 0.00 C ATOM 115 CD GLU A 8 -2.681 1.628 5.663 1.00 0.00 C ATOM 116 OE1 GLU A 8 -3.456 1.931 4.771 1.00 0.00 O ATOM 117 OE2 GLU A 8 -2.998 0.990 6.654 1.00 0.00 O ATOM 118 H GLU A 8 0.731 1.088 2.243 1.00 0.00 H ATOM 119 HA GLU A 8 0.610 0.281 4.996 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.003 2.508 3.820 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.542 1.736 3.441 1.00 0.00 H ATOM 122 HG2 GLU A 8 -0.621 1.559 6.266 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.162 3.141 5.704 1.00 0.00 H ATOM 124 N GLU A 9 -1.422 -1.160 2.914 1.00 0.00 N ATOM 125 CA GLU A 9 -2.415 -2.262 2.792 1.00 0.00 C ATOM 126 C GLU A 9 -1.685 -3.605 2.767 1.00 0.00 C ATOM 127 O GLU A 9 -2.277 -4.652 2.938 1.00 0.00 O ATOM 128 CB GLU A 9 -3.126 -2.011 1.464 1.00 0.00 C ATOM 129 CG GLU A 9 -4.154 -3.115 1.216 1.00 0.00 C ATOM 130 CD GLU A 9 -3.568 -4.151 0.256 1.00 0.00 C ATOM 131 OE1 GLU A 9 -2.623 -3.819 -0.441 1.00 0.00 O ATOM 132 OE2 GLU A 9 -4.073 -5.261 0.234 1.00 0.00 O ATOM 133 H GLU A 9 -1.029 -0.758 2.107 1.00 0.00 H ATOM 134 HA GLU A 9 -3.120 -2.228 3.607 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.627 -1.053 1.501 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.402 -2.008 0.662 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.402 -3.592 2.153 1.00 0.00 H ATOM 138 HG3 GLU A 9 -5.045 -2.687 0.781 1.00 0.00 H ATOM 139 N PHE A 10 -0.399 -3.576 2.561 1.00 0.00 N ATOM 140 CA PHE A 10 0.380 -4.843 2.532 1.00 0.00 C ATOM 141 C PHE A 10 0.952 -5.128 3.921 1.00 0.00 C ATOM 142 O PHE A 10 1.343 -6.237 4.225 1.00 0.00 O ATOM 143 CB PHE A 10 1.507 -4.599 1.525 1.00 0.00 C ATOM 144 CG PHE A 10 2.273 -5.882 1.309 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.858 -6.787 0.326 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.397 -6.165 2.095 1.00 0.00 C ATOM 147 CE1 PHE A 10 2.569 -7.977 0.127 1.00 0.00 C ATOM 148 CE2 PHE A 10 4.107 -7.356 1.895 1.00 0.00 C ATOM 149 CZ PHE A 10 3.692 -8.262 0.912 1.00 0.00 C ATOM 150 H PHE A 10 0.058 -2.718 2.432 1.00 0.00 H ATOM 151 HA PHE A 10 -0.241 -5.661 2.203 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.086 -4.269 0.587 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.174 -3.843 1.908 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.992 -6.568 -0.281 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.717 -5.467 2.853 1.00 0.00 H ATOM 156 HE1 PHE A 10 2.248 -8.676 -0.632 1.00 0.00 H ATOM 157 HE2 PHE A 10 4.973 -7.574 2.501 1.00 0.00 H ATOM 158 HZ PHE A 10 4.240 -9.180 0.758 1.00 0.00 H ATOM 159 N LEU A 11 1.001 -4.134 4.770 1.00 0.00 N ATOM 160 CA LEU A 11 1.547 -4.360 6.140 1.00 0.00 C ATOM 161 C LEU A 11 0.591 -5.241 6.948 1.00 0.00 C ATOM 162 O LEU A 11 0.668 -6.452 6.899 1.00 0.00 O ATOM 163 CB LEU A 11 1.654 -2.968 6.764 1.00 0.00 C ATOM 164 CG LEU A 11 3.052 -2.403 6.509 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.010 -0.878 6.609 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.023 -2.954 7.554 1.00 0.00 C ATOM 167 H LEU A 11 0.678 -3.242 4.508 1.00 0.00 H ATOM 168 HA LEU A 11 2.523 -4.815 6.086 1.00 0.00 H ATOM 169 HB2 LEU A 11 0.914 -2.316 6.322 1.00 0.00 H ATOM 170 HB3 LEU A 11 1.485 -3.038 7.829 1.00 0.00 H ATOM 171 HG LEU A 11 3.381 -2.690 5.520 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.677 -0.451 5.875 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.319 -0.574 7.597 1.00 0.00 H ATOM 174 HD13 LEU A 11 2.003 -0.534 6.424 1.00 0.00 H ATOM 175 HD21 LEU A 11 4.741 -2.192 7.818 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.542 -3.811 7.148 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.475 -3.252 8.435 1.00 0.00 H HETATM 178 N NH2 A 12 -0.318 -4.680 7.699 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.385 -3.703 7.741 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.934 -5.236 8.219 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 64 HETATM 1 C ACE A 1 -0.662 5.627 -3.953 1.00 0.00 C HETATM 2 O ACE A 1 -0.770 5.179 -2.828 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.267 7.085 -4.194 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.918 7.733 -3.626 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.358 7.312 -5.245 1.00 0.00 H HETATM 6 H3 ACE A 1 0.756 7.236 -3.880 1.00 0.00 H ATOM 7 N LEU A 2 -0.872 4.879 -5.002 1.00 0.00 N ATOM 8 CA LEU A 2 -1.255 3.452 -4.830 1.00 0.00 C ATOM 9 C LEU A 2 -0.071 2.666 -4.276 1.00 0.00 C ATOM 10 O LEU A 2 -0.237 1.656 -3.626 1.00 0.00 O ATOM 11 CB LEU A 2 -1.629 2.959 -6.228 1.00 0.00 C ATOM 12 CG LEU A 2 -3.140 3.079 -6.420 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.458 3.158 -7.913 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.826 1.853 -5.814 1.00 0.00 C ATOM 15 H LEU A 2 -0.773 5.255 -5.900 1.00 0.00 H ATOM 16 HA LEU A 2 -2.102 3.368 -4.168 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.122 3.557 -6.969 1.00 0.00 H ATOM 18 HB3 LEU A 2 -1.336 1.926 -6.335 1.00 0.00 H ATOM 19 HG LEU A 2 -3.494 3.973 -5.928 1.00 0.00 H ATOM 20 HD11 LEU A 2 -4.018 4.058 -8.113 1.00 0.00 H ATOM 21 HD12 LEU A 2 -4.041 2.297 -8.203 1.00 0.00 H ATOM 22 HD13 LEU A 2 -2.536 3.175 -8.476 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.857 1.953 -4.739 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.273 0.964 -6.077 1.00 0.00 H ATOM 25 HD23 LEU A 2 -4.834 1.777 -6.197 1.00 0.00 H ATOM 26 N VAL A 3 1.123 3.134 -4.504 1.00 0.00 N ATOM 27 CA VAL A 3 2.303 2.414 -3.952 1.00 0.00 C ATOM 28 C VAL A 3 2.226 2.484 -2.429 1.00 0.00 C ATOM 29 O VAL A 3 2.554 1.544 -1.724 1.00 0.00 O ATOM 30 CB VAL A 3 3.524 3.173 -4.470 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.772 2.692 -3.727 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.693 2.908 -5.966 1.00 0.00 C ATOM 33 H VAL A 3 1.240 3.964 -5.013 1.00 0.00 H ATOM 34 HA VAL A 3 2.322 1.391 -4.290 1.00 0.00 H ATOM 35 HB VAL A 3 3.391 4.231 -4.301 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.426 2.178 -4.417 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.480 2.016 -2.937 1.00 0.00 H ATOM 38 HG13 VAL A 3 5.290 3.539 -3.303 1.00 0.00 H ATOM 39 HG21 VAL A 3 2.722 2.823 -6.429 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.243 1.990 -6.109 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.237 3.725 -6.416 1.00 0.00 H ATOM 42 N GLY A 4 1.759 3.592 -1.923 1.00 0.00 N ATOM 43 CA GLY A 4 1.615 3.740 -0.451 1.00 0.00 C ATOM 44 C GLY A 4 0.371 2.972 -0.020 1.00 0.00 C ATOM 45 O GLY A 4 0.353 2.327 1.006 1.00 0.00 O ATOM 46 H GLY A 4 1.478 4.319 -2.519 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.489 3.335 0.043 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.503 4.782 -0.197 1.00 0.00 H ATOM 49 N ARG A 5 -0.667 3.021 -0.813 1.00 0.00 N ATOM 50 CA ARG A 5 -1.906 2.271 -0.461 1.00 0.00 C ATOM 51 C ARG A 5 -1.585 0.778 -0.406 1.00 0.00 C ATOM 52 O ARG A 5 -2.085 0.051 0.427 1.00 0.00 O ATOM 53 CB ARG A 5 -2.894 2.569 -1.592 1.00 0.00 C ATOM 54 CG ARG A 5 -4.316 2.612 -1.030 1.00 0.00 C ATOM 55 CD ARG A 5 -5.324 2.469 -2.171 1.00 0.00 C ATOM 56 NE ARG A 5 -6.642 2.325 -1.493 1.00 0.00 N ATOM 57 CZ ARG A 5 -7.226 3.370 -0.977 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.885 3.787 0.211 1.00 0.00 N ATOM 59 NH2 ARG A 5 -8.149 4.000 -1.649 1.00 0.00 N ATOM 60 H ARG A 5 -0.625 3.539 -1.646 1.00 0.00 H ATOM 61 HA ARG A 5 -2.301 2.612 0.482 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.654 3.522 -2.041 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.830 1.792 -2.339 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.449 1.803 -0.328 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.476 3.554 -0.527 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.313 3.353 -2.795 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.110 1.589 -2.756 1.00 0.00 H ATOM 68 HE ARG A 5 -7.068 1.445 -1.431 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.177 3.305 0.728 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.333 4.589 0.607 1.00 0.00 H ATOM 71 HH21 ARG A 5 -8.411 3.679 -2.559 1.00 0.00 H ATOM 72 HH22 ARG A 5 -8.595 4.803 -1.253 1.00 0.00 H ATOM 73 N GLN A 6 -0.737 0.325 -1.286 1.00 0.00 N ATOM 74 CA GLN A 6 -0.360 -1.114 -1.291 1.00 0.00 C ATOM 75 C GLN A 6 0.545 -1.401 -0.097 1.00 0.00 C ATOM 76 O GLN A 6 0.382 -2.385 0.594 1.00 0.00 O ATOM 77 CB GLN A 6 0.397 -1.321 -2.603 1.00 0.00 C ATOM 78 CG GLN A 6 0.631 -2.816 -2.825 1.00 0.00 C ATOM 79 CD GLN A 6 1.354 -3.026 -4.155 1.00 0.00 C ATOM 80 OE1 GLN A 6 2.017 -2.134 -4.647 1.00 0.00 O ATOM 81 NE2 GLN A 6 1.254 -4.177 -4.761 1.00 0.00 N ATOM 82 H GLN A 6 -0.336 0.934 -1.936 1.00 0.00 H ATOM 83 HA GLN A 6 -1.239 -1.739 -1.263 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.185 -0.922 -3.421 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.348 -0.813 -2.554 1.00 0.00 H ATOM 86 HG2 GLN A 6 1.235 -3.209 -2.019 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.318 -3.329 -2.849 1.00 0.00 H ATOM 88 HE21 GLN A 6 0.721 -4.896 -4.362 1.00 0.00 H ATOM 89 HE22 GLN A 6 1.712 -4.322 -5.616 1.00 0.00 H ATOM 90 N LEU A 7 1.491 -0.540 0.162 1.00 0.00 N ATOM 91 CA LEU A 7 2.387 -0.768 1.326 1.00 0.00 C ATOM 92 C LEU A 7 1.551 -0.804 2.604 1.00 0.00 C ATOM 93 O LEU A 7 1.711 -1.670 3.442 1.00 0.00 O ATOM 94 CB LEU A 7 3.341 0.428 1.340 1.00 0.00 C ATOM 95 CG LEU A 7 4.711 0.002 0.808 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.702 0.061 -0.720 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.786 0.950 1.347 1.00 0.00 C ATOM 98 H LEU A 7 1.604 0.258 -0.403 1.00 0.00 H ATOM 99 HA LEU A 7 2.935 -1.686 1.208 1.00 0.00 H ATOM 100 HB2 LEU A 7 2.941 1.213 0.715 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.447 0.791 2.351 1.00 0.00 H ATOM 102 HG LEU A 7 4.925 -1.008 1.127 1.00 0.00 H ATOM 103 HD11 LEU A 7 3.703 -0.141 -1.082 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.383 -0.679 -1.114 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.010 1.044 -1.044 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.565 1.198 2.375 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.802 1.852 0.754 1.00 0.00 H ATOM 108 HD23 LEU A 7 6.752 0.468 1.294 1.00 0.00 H ATOM 109 N GLU A 8 0.651 0.127 2.752 1.00 0.00 N ATOM 110 CA GLU A 8 -0.209 0.149 3.964 1.00 0.00 C ATOM 111 C GLU A 8 -1.277 -0.937 3.859 1.00 0.00 C ATOM 112 O GLU A 8 -1.861 -1.344 4.844 1.00 0.00 O ATOM 113 CB GLU A 8 -0.847 1.539 3.974 1.00 0.00 C ATOM 114 CG GLU A 8 -0.698 2.162 5.364 1.00 0.00 C ATOM 115 CD GLU A 8 0.764 2.552 5.594 1.00 0.00 C ATOM 116 OE1 GLU A 8 1.628 1.877 5.058 1.00 0.00 O ATOM 117 OE2 GLU A 8 0.994 3.518 6.301 1.00 0.00 O ATOM 118 H GLU A 8 0.535 0.807 2.060 1.00 0.00 H ATOM 119 HA GLU A 8 0.385 0.004 4.849 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.354 2.165 3.244 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.894 1.457 3.729 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.321 3.042 5.432 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.000 1.446 6.114 1.00 0.00 H ATOM 124 N GLU A 9 -1.526 -1.425 2.676 1.00 0.00 N ATOM 125 CA GLU A 9 -2.541 -2.502 2.530 1.00 0.00 C ATOM 126 C GLU A 9 -1.875 -3.844 2.814 1.00 0.00 C ATOM 127 O GLU A 9 -2.499 -4.784 3.263 1.00 0.00 O ATOM 128 CB GLU A 9 -3.025 -2.420 1.081 1.00 0.00 C ATOM 129 CG GLU A 9 -4.090 -3.492 0.833 1.00 0.00 C ATOM 130 CD GLU A 9 -5.265 -2.880 0.067 1.00 0.00 C ATOM 131 OE1 GLU A 9 -6.127 -2.299 0.706 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.283 -3.003 -1.148 1.00 0.00 O ATOM 133 H GLU A 9 -1.034 -1.097 1.891 1.00 0.00 H ATOM 134 HA GLU A 9 -3.357 -2.341 3.211 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.452 -1.445 0.900 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.193 -2.581 0.412 1.00 0.00 H ATOM 137 HG2 GLU A 9 -3.663 -4.299 0.253 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.443 -3.876 1.779 1.00 0.00 H ATOM 139 N PHE A 10 -0.595 -3.919 2.587 1.00 0.00 N ATOM 140 CA PHE A 10 0.143 -5.176 2.874 1.00 0.00 C ATOM 141 C PHE A 10 0.891 -5.015 4.197 1.00 0.00 C ATOM 142 O PHE A 10 1.368 -5.970 4.776 1.00 0.00 O ATOM 143 CB PHE A 10 1.126 -5.348 1.714 1.00 0.00 C ATOM 144 CG PHE A 10 2.136 -6.410 2.075 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.752 -7.755 2.109 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.453 -6.050 2.379 1.00 0.00 C ATOM 147 CE1 PHE A 10 2.686 -8.740 2.449 1.00 0.00 C ATOM 148 CE2 PHE A 10 4.386 -7.034 2.719 1.00 0.00 C ATOM 149 CZ PHE A 10 4.003 -8.380 2.754 1.00 0.00 C ATOM 150 H PHE A 10 -0.111 -3.131 2.253 1.00 0.00 H ATOM 151 HA PHE A 10 -0.536 -6.014 2.917 1.00 0.00 H ATOM 152 HB2 PHE A 10 0.589 -5.646 0.826 1.00 0.00 H ATOM 153 HB3 PHE A 10 1.637 -4.415 1.532 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.735 -8.034 1.872 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.749 -5.011 2.352 1.00 0.00 H ATOM 156 HE1 PHE A 10 2.389 -9.779 2.477 1.00 0.00 H ATOM 157 HE2 PHE A 10 5.402 -6.757 2.954 1.00 0.00 H ATOM 158 HZ PHE A 10 4.723 -9.140 3.017 1.00 0.00 H ATOM 159 N LEU A 11 0.988 -3.797 4.673 1.00 0.00 N ATOM 160 CA LEU A 11 1.702 -3.531 5.959 1.00 0.00 C ATOM 161 C LEU A 11 2.917 -4.453 6.108 1.00 0.00 C ATOM 162 O LEU A 11 3.098 -5.085 7.130 1.00 0.00 O ATOM 163 CB LEU A 11 0.670 -3.813 7.050 1.00 0.00 C ATOM 164 CG LEU A 11 0.595 -2.615 8.001 1.00 0.00 C ATOM 165 CD1 LEU A 11 -0.871 -2.277 8.287 1.00 0.00 C ATOM 166 CD2 LEU A 11 1.305 -2.959 9.311 1.00 0.00 C ATOM 167 H LEU A 11 0.583 -3.049 4.181 1.00 0.00 H ATOM 168 HA LEU A 11 2.011 -2.500 6.008 1.00 0.00 H ATOM 169 HB2 LEU A 11 -0.298 -3.975 6.598 1.00 0.00 H ATOM 170 HB3 LEU A 11 0.962 -4.692 7.605 1.00 0.00 H ATOM 171 HG LEU A 11 1.075 -1.763 7.542 1.00 0.00 H ATOM 172 HD11 LEU A 11 -1.481 -3.153 8.122 1.00 0.00 H ATOM 173 HD12 LEU A 11 -1.194 -1.485 7.627 1.00 0.00 H ATOM 174 HD13 LEU A 11 -0.974 -1.955 9.311 1.00 0.00 H ATOM 175 HD21 LEU A 11 2.330 -3.225 9.106 1.00 0.00 H ATOM 176 HD22 LEU A 11 0.805 -3.791 9.784 1.00 0.00 H ATOM 177 HD23 LEU A 11 1.280 -2.103 9.970 1.00 0.00 H HETATM 178 N NH2 A 12 3.772 -4.550 5.125 1.00 0.00 N HETATM 179 HN1 NH2 A 12 3.630 -4.041 4.301 1.00 0.00 H HETATM 180 HN2 NH2 A 12 4.557 -5.129 5.214 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 65 HETATM 1 C ACE A 1 -0.434 5.455 -4.197 1.00 0.00 C HETATM 2 O ACE A 1 -0.674 5.049 -3.072 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.011 6.904 -4.445 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.542 7.292 -5.303 1.00 0.00 H HETATM 5 H2 ACE A 1 1.053 6.942 -4.634 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.245 7.503 -3.578 1.00 0.00 H ATOM 7 N LEU A 2 -0.525 4.668 -5.234 1.00 0.00 N ATOM 8 CA LEU A 2 -0.930 3.249 -5.044 1.00 0.00 C ATOM 9 C LEU A 2 0.187 2.483 -4.344 1.00 0.00 C ATOM 10 O LEU A 2 0.024 1.349 -3.938 1.00 0.00 O ATOM 11 CB LEU A 2 -1.238 2.705 -6.452 1.00 0.00 C ATOM 12 CG LEU A 2 0.031 2.326 -7.242 1.00 0.00 C ATOM 13 CD1 LEU A 2 1.028 3.485 -7.254 1.00 0.00 C ATOM 14 CD2 LEU A 2 0.683 1.080 -6.635 1.00 0.00 C ATOM 15 H LEU A 2 -0.324 5.007 -6.128 1.00 0.00 H ATOM 16 HA LEU A 2 -1.823 3.209 -4.440 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.858 1.830 -6.356 1.00 0.00 H ATOM 18 HB3 LEU A 2 -1.779 3.461 -7.001 1.00 0.00 H ATOM 19 HG LEU A 2 -0.254 2.108 -8.263 1.00 0.00 H ATOM 20 HD11 LEU A 2 0.548 4.370 -7.647 1.00 0.00 H ATOM 21 HD12 LEU A 2 1.870 3.226 -7.880 1.00 0.00 H ATOM 22 HD13 LEU A 2 1.374 3.677 -6.257 1.00 0.00 H ATOM 23 HD21 LEU A 2 1.574 1.367 -6.097 1.00 0.00 H ATOM 24 HD22 LEU A 2 0.945 0.390 -7.423 1.00 0.00 H ATOM 25 HD23 LEU A 2 -0.011 0.606 -5.957 1.00 0.00 H ATOM 26 N VAL A 3 1.312 3.112 -4.173 1.00 0.00 N ATOM 27 CA VAL A 3 2.438 2.447 -3.468 1.00 0.00 C ATOM 28 C VAL A 3 2.232 2.620 -1.966 1.00 0.00 C ATOM 29 O VAL A 3 2.564 1.761 -1.172 1.00 0.00 O ATOM 30 CB VAL A 3 3.700 3.176 -3.933 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.810 3.090 -5.457 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.628 4.645 -3.510 1.00 0.00 C ATOM 33 H VAL A 3 1.404 4.033 -4.491 1.00 0.00 H ATOM 34 HA VAL A 3 2.489 1.401 -3.729 1.00 0.00 H ATOM 35 HB VAL A 3 4.568 2.713 -3.485 1.00 0.00 H ATOM 36 HG11 VAL A 3 3.512 4.032 -5.892 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.164 2.305 -5.820 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.830 2.872 -5.733 1.00 0.00 H ATOM 39 HG21 VAL A 3 2.843 5.141 -4.059 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.572 5.127 -3.719 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.421 4.706 -2.452 1.00 0.00 H ATOM 42 N GLY A 4 1.655 3.726 -1.580 1.00 0.00 N ATOM 43 CA GLY A 4 1.390 3.968 -0.138 1.00 0.00 C ATOM 44 C GLY A 4 0.130 3.203 0.251 1.00 0.00 C ATOM 45 O GLY A 4 0.076 2.554 1.277 1.00 0.00 O ATOM 46 H GLY A 4 1.376 4.390 -2.248 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.228 3.619 0.449 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.237 5.023 0.034 1.00 0.00 H ATOM 49 N ARG A 5 -0.882 3.257 -0.574 1.00 0.00 N ATOM 50 CA ARG A 5 -2.130 2.508 -0.257 1.00 0.00 C ATOM 51 C ARG A 5 -1.842 1.007 -0.309 1.00 0.00 C ATOM 52 O ARG A 5 -2.179 0.263 0.593 1.00 0.00 O ATOM 53 CB ARG A 5 -3.127 2.907 -1.346 1.00 0.00 C ATOM 54 CG ARG A 5 -4.551 2.612 -0.869 1.00 0.00 C ATOM 55 CD ARG A 5 -5.090 1.378 -1.596 1.00 0.00 C ATOM 56 NE ARG A 5 -5.104 1.756 -3.037 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.034 1.289 -3.825 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.253 1.743 -3.736 1.00 0.00 N ATOM 59 NH2 ARG A 5 -5.744 0.368 -4.701 1.00 0.00 N ATOM 60 H ARG A 5 -0.814 3.776 -1.408 1.00 0.00 H ATOM 61 HA ARG A 5 -2.506 2.790 0.714 1.00 0.00 H ATOM 62 HB2 ARG A 5 -3.028 3.962 -1.556 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.926 2.341 -2.243 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.543 2.429 0.197 1.00 0.00 H ATOM 65 HG3 ARG A 5 -5.185 3.459 -1.083 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.436 0.532 -1.432 1.00 0.00 H ATOM 67 HD3 ARG A 5 -6.091 1.152 -1.263 1.00 0.00 H ATOM 68 HE ARG A 5 -4.415 2.355 -3.392 1.00 0.00 H ATOM 69 HH11 ARG A 5 -7.476 2.450 -3.064 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.966 1.385 -4.339 1.00 0.00 H ATOM 71 HH21 ARG A 5 -4.808 0.019 -4.771 1.00 0.00 H ATOM 72 HH22 ARG A 5 -6.456 0.010 -5.306 1.00 0.00 H ATOM 73 N GLN A 6 -1.205 0.557 -1.358 1.00 0.00 N ATOM 74 CA GLN A 6 -0.878 -0.892 -1.467 1.00 0.00 C ATOM 75 C GLN A 6 0.060 -1.295 -0.328 1.00 0.00 C ATOM 76 O GLN A 6 -0.200 -2.232 0.402 1.00 0.00 O ATOM 77 CB GLN A 6 -0.179 -1.042 -2.818 1.00 0.00 C ATOM 78 CG GLN A 6 0.155 -2.516 -3.060 1.00 0.00 C ATOM 79 CD GLN A 6 1.667 -2.676 -3.232 1.00 0.00 C ATOM 80 OE1 GLN A 6 2.386 -2.848 -2.268 1.00 0.00 O ATOM 81 NE2 GLN A 6 2.184 -2.626 -4.430 1.00 0.00 N ATOM 82 H GLN A 6 -0.933 1.176 -2.069 1.00 0.00 H ATOM 83 HA GLN A 6 -1.778 -1.485 -1.446 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.831 -0.686 -3.602 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.734 -0.464 -2.818 1.00 0.00 H ATOM 86 HG2 GLN A 6 -0.176 -3.103 -2.217 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.345 -2.857 -3.954 1.00 0.00 H ATOM 88 HE21 GLN A 6 1.605 -2.488 -5.208 1.00 0.00 H ATOM 89 HE22 GLN A 6 3.151 -2.728 -4.551 1.00 0.00 H ATOM 90 N LEU A 7 1.149 -0.592 -0.164 1.00 0.00 N ATOM 91 CA LEU A 7 2.093 -0.937 0.936 1.00 0.00 C ATOM 92 C LEU A 7 1.374 -0.837 2.281 1.00 0.00 C ATOM 93 O LEU A 7 1.615 -1.613 3.187 1.00 0.00 O ATOM 94 CB LEU A 7 3.210 0.102 0.842 1.00 0.00 C ATOM 95 CG LEU A 7 4.384 -0.326 1.723 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.698 0.085 1.056 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.271 0.356 3.088 1.00 0.00 C ATOM 98 H LEU A 7 1.342 0.165 -0.758 1.00 0.00 H ATOM 99 HA LEU A 7 2.492 -1.927 0.794 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.540 0.183 -0.184 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.841 1.059 1.178 1.00 0.00 H ATOM 102 HG LEU A 7 4.365 -1.399 1.851 1.00 0.00 H ATOM 103 HD11 LEU A 7 6.383 -0.751 1.064 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.134 0.911 1.597 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.507 0.384 0.036 1.00 0.00 H ATOM 106 HD21 LEU A 7 3.815 -0.324 3.793 1.00 0.00 H ATOM 107 HD22 LEU A 7 3.663 1.244 2.998 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.256 0.628 3.437 1.00 0.00 H ATOM 109 N GLU A 8 0.484 0.106 2.416 1.00 0.00 N ATOM 110 CA GLU A 8 -0.257 0.249 3.698 1.00 0.00 C ATOM 111 C GLU A 8 -1.210 -0.933 3.865 1.00 0.00 C ATOM 112 O GLU A 8 -1.557 -1.319 4.963 1.00 0.00 O ATOM 113 CB GLU A 8 -1.035 1.558 3.568 1.00 0.00 C ATOM 114 CG GLU A 8 -0.138 2.729 3.970 1.00 0.00 C ATOM 115 CD GLU A 8 -0.245 2.961 5.479 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.121 3.708 5.883 1.00 0.00 O ATOM 117 OE2 GLU A 8 0.549 2.386 6.204 1.00 0.00 O ATOM 118 H GLU A 8 0.298 0.715 1.672 1.00 0.00 H ATOM 119 HA GLU A 8 0.428 0.301 4.528 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.357 1.684 2.544 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.899 1.529 4.215 1.00 0.00 H ATOM 122 HG2 GLU A 8 0.886 2.504 3.711 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.454 3.621 3.449 1.00 0.00 H ATOM 124 N GLU A 9 -1.625 -1.518 2.777 1.00 0.00 N ATOM 125 CA GLU A 9 -2.543 -2.686 2.864 1.00 0.00 C ATOM 126 C GLU A 9 -1.722 -3.965 3.029 1.00 0.00 C ATOM 127 O GLU A 9 -2.218 -4.985 3.465 1.00 0.00 O ATOM 128 CB GLU A 9 -3.303 -2.699 1.537 1.00 0.00 C ATOM 129 CG GLU A 9 -4.735 -2.213 1.765 1.00 0.00 C ATOM 130 CD GLU A 9 -5.645 -3.414 2.031 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.197 -4.529 1.828 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.778 -3.197 2.431 1.00 0.00 O ATOM 133 H GLU A 9 -1.323 -1.195 1.900 1.00 0.00 H ATOM 134 HA GLU A 9 -3.230 -2.568 3.687 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.809 -2.046 0.834 1.00 0.00 H ATOM 136 HB3 GLU A 9 -3.324 -3.704 1.144 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.757 -1.548 2.618 1.00 0.00 H ATOM 138 HG3 GLU A 9 -5.081 -1.687 0.888 1.00 0.00 H ATOM 139 N PHE A 10 -0.464 -3.909 2.688 1.00 0.00 N ATOM 140 CA PHE A 10 0.401 -5.114 2.829 1.00 0.00 C ATOM 141 C PHE A 10 1.246 -5.000 4.099 1.00 0.00 C ATOM 142 O PHE A 10 1.902 -5.937 4.510 1.00 0.00 O ATOM 143 CB PHE A 10 1.292 -5.113 1.587 1.00 0.00 C ATOM 144 CG PHE A 10 2.004 -6.440 1.478 1.00 0.00 C ATOM 145 CD1 PHE A 10 3.141 -6.690 2.254 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.526 -7.420 0.600 1.00 0.00 C ATOM 147 CE1 PHE A 10 3.801 -7.920 2.154 1.00 0.00 C ATOM 148 CE2 PHE A 10 2.185 -8.650 0.499 1.00 0.00 C ATOM 149 CZ PHE A 10 3.323 -8.900 1.275 1.00 0.00 C ATOM 150 H PHE A 10 -0.086 -3.071 2.345 1.00 0.00 H ATOM 151 HA PHE A 10 -0.199 -6.011 2.853 1.00 0.00 H ATOM 152 HB2 PHE A 10 0.684 -4.955 0.709 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.021 -4.320 1.669 1.00 0.00 H ATOM 154 HD1 PHE A 10 3.509 -5.933 2.932 1.00 0.00 H ATOM 155 HD2 PHE A 10 0.648 -7.226 0.001 1.00 0.00 H ATOM 156 HE1 PHE A 10 4.679 -8.114 2.752 1.00 0.00 H ATOM 157 HE2 PHE A 10 1.816 -9.406 -0.178 1.00 0.00 H ATOM 158 HZ PHE A 10 3.833 -9.850 1.196 1.00 0.00 H ATOM 159 N LEU A 11 1.236 -3.854 4.724 1.00 0.00 N ATOM 160 CA LEU A 11 2.040 -3.674 5.967 1.00 0.00 C ATOM 161 C LEU A 11 1.184 -3.029 7.061 1.00 0.00 C ATOM 162 O LEU A 11 0.798 -1.882 6.956 1.00 0.00 O ATOM 163 CB LEU A 11 3.185 -2.745 5.565 1.00 0.00 C ATOM 164 CG LEU A 11 4.500 -3.276 6.139 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.968 -4.476 5.316 1.00 0.00 C ATOM 166 CD2 LEU A 11 5.560 -2.174 6.080 1.00 0.00 C ATOM 167 H LEU A 11 0.701 -3.110 4.374 1.00 0.00 H ATOM 168 HA LEU A 11 2.432 -4.620 6.303 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.253 -2.703 4.488 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.999 -1.755 5.953 1.00 0.00 H ATOM 171 HG LEU A 11 4.349 -3.579 7.165 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.136 -4.875 4.755 1.00 0.00 H ATOM 173 HD12 LEU A 11 5.355 -5.237 5.978 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.745 -4.164 4.633 1.00 0.00 H ATOM 175 HD21 LEU A 11 6.511 -2.571 6.407 1.00 0.00 H ATOM 176 HD22 LEU A 11 5.269 -1.359 6.726 1.00 0.00 H ATOM 177 HD23 LEU A 11 5.650 -1.815 5.066 1.00 0.00 H HETATM 178 N NH2 A 12 0.866 -3.727 8.117 1.00 0.00 N HETATM 179 HN1 NH2 A 12 1.175 -4.654 8.204 1.00 0.00 H HETATM 180 HN2 NH2 A 12 0.317 -3.325 8.823 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 66 HETATM 1 C ACE A 1 -0.756 5.652 -4.052 1.00 0.00 C HETATM 2 O ACE A 1 -1.121 5.118 -3.020 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.326 7.119 -4.080 1.00 0.00 C HETATM 4 H1 ACE A 1 0.364 7.276 -4.896 1.00 0.00 H HETATM 5 H2 ACE A 1 0.156 7.371 -3.147 1.00 0.00 H HETATM 6 H3 ACE A 1 -1.195 7.746 -4.217 1.00 0.00 H ATOM 7 N LEU A 2 -0.711 4.989 -5.175 1.00 0.00 N ATOM 8 CA LEU A 2 -1.113 3.556 -5.204 1.00 0.00 C ATOM 9 C LEU A 2 -0.070 2.719 -4.469 1.00 0.00 C ATOM 10 O LEU A 2 -0.394 1.789 -3.758 1.00 0.00 O ATOM 11 CB LEU A 2 -1.167 3.186 -6.689 1.00 0.00 C ATOM 12 CG LEU A 2 -1.072 1.666 -6.846 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.194 1.174 -7.761 1.00 0.00 C ATOM 14 CD2 LEU A 2 0.284 1.302 -7.456 1.00 0.00 C ATOM 15 H LEU A 2 -0.407 5.430 -5.995 1.00 0.00 H ATOM 16 HA LEU A 2 -2.083 3.430 -4.754 1.00 0.00 H ATOM 17 HB2 LEU A 2 -2.098 3.534 -7.112 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.341 3.650 -7.205 1.00 0.00 H ATOM 19 HG LEU A 2 -1.169 1.198 -5.876 1.00 0.00 H ATOM 20 HD11 LEU A 2 -1.992 1.482 -8.776 1.00 0.00 H ATOM 21 HD12 LEU A 2 -3.135 1.593 -7.437 1.00 0.00 H ATOM 22 HD13 LEU A 2 -2.247 0.095 -7.718 1.00 0.00 H ATOM 23 HD21 LEU A 2 1.007 1.152 -6.667 1.00 0.00 H ATOM 24 HD22 LEU A 2 0.616 2.103 -8.099 1.00 0.00 H ATOM 25 HD23 LEU A 2 0.188 0.394 -8.034 1.00 0.00 H ATOM 26 N VAL A 3 1.178 3.052 -4.625 1.00 0.00 N ATOM 27 CA VAL A 3 2.241 2.283 -3.923 1.00 0.00 C ATOM 28 C VAL A 3 2.151 2.552 -2.421 1.00 0.00 C ATOM 29 O VAL A 3 2.527 1.732 -1.603 1.00 0.00 O ATOM 30 CB VAL A 3 3.557 2.812 -4.491 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.729 2.063 -3.852 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.579 2.594 -6.005 1.00 0.00 C ATOM 33 H VAL A 3 1.414 3.815 -5.194 1.00 0.00 H ATOM 34 HA VAL A 3 2.145 1.228 -4.126 1.00 0.00 H ATOM 35 HB VAL A 3 3.644 3.867 -4.277 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.268 2.731 -3.197 1.00 0.00 H ATOM 37 HG12 VAL A 3 5.391 1.705 -4.625 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.353 1.226 -3.283 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.319 1.846 -6.252 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.828 3.522 -6.500 1.00 0.00 H ATOM 41 HG23 VAL A 3 2.607 2.260 -6.336 1.00 0.00 H ATOM 42 N GLY A 4 1.631 3.694 -2.054 1.00 0.00 N ATOM 43 CA GLY A 4 1.494 4.018 -0.609 1.00 0.00 C ATOM 44 C GLY A 4 0.344 3.194 -0.042 1.00 0.00 C ATOM 45 O GLY A 4 0.474 2.538 0.972 1.00 0.00 O ATOM 46 H GLY A 4 1.315 4.329 -2.732 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.411 3.769 -0.093 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.279 5.068 -0.488 1.00 0.00 H ATOM 49 N ARG A 5 -0.778 3.206 -0.707 1.00 0.00 N ATOM 50 CA ARG A 5 -1.931 2.402 -0.218 1.00 0.00 C ATOM 51 C ARG A 5 -1.563 0.920 -0.283 1.00 0.00 C ATOM 52 O ARG A 5 -1.983 0.124 0.533 1.00 0.00 O ATOM 53 CB ARG A 5 -3.078 2.716 -1.180 1.00 0.00 C ATOM 54 CG ARG A 5 -4.065 3.671 -0.504 1.00 0.00 C ATOM 55 CD ARG A 5 -5.472 3.422 -1.051 1.00 0.00 C ATOM 56 NE ARG A 5 -6.392 3.880 0.027 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.282 5.088 0.512 1.00 0.00 C ATOM 58 NH1 ARG A 5 -5.494 5.313 1.527 1.00 0.00 N ATOM 59 NH2 ARG A 5 -6.963 6.068 -0.017 1.00 0.00 N ATOM 60 H ARG A 5 -0.855 3.730 -1.535 1.00 0.00 H ATOM 61 HA ARG A 5 -2.196 2.687 0.788 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.683 3.178 -2.072 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.588 1.801 -1.443 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.058 3.500 0.563 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.777 4.691 -0.708 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.630 3.995 -1.954 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.621 2.370 -1.241 1.00 0.00 H ATOM 68 HE ARG A 5 -7.082 3.275 0.372 1.00 0.00 H ATOM 69 HH11 ARG A 5 -4.975 4.562 1.935 1.00 0.00 H ATOM 70 HH12 ARG A 5 -5.410 6.238 1.898 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.570 5.894 -0.792 1.00 0.00 H ATOM 72 HH22 ARG A 5 -6.879 6.992 0.355 1.00 0.00 H ATOM 73 N GLN A 6 -0.767 0.550 -1.251 1.00 0.00 N ATOM 74 CA GLN A 6 -0.352 -0.876 -1.377 1.00 0.00 C ATOM 75 C GLN A 6 0.476 -1.284 -0.159 1.00 0.00 C ATOM 76 O GLN A 6 0.099 -2.157 0.596 1.00 0.00 O ATOM 77 CB GLN A 6 0.504 -0.933 -2.643 1.00 0.00 C ATOM 78 CG GLN A 6 -0.112 -1.920 -3.636 1.00 0.00 C ATOM 79 CD GLN A 6 0.987 -2.817 -4.208 1.00 0.00 C ATOM 80 OE1 GLN A 6 1.506 -3.674 -3.520 1.00 0.00 O ATOM 81 NE2 GLN A 6 1.367 -2.657 -5.446 1.00 0.00 N ATOM 82 H GLN A 6 -0.437 1.212 -1.893 1.00 0.00 H ATOM 83 HA GLN A 6 -1.213 -1.514 -1.483 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.550 0.049 -3.090 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.500 -1.258 -2.388 1.00 0.00 H ATOM 86 HG2 GLN A 6 -0.849 -2.529 -3.131 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.585 -1.376 -4.440 1.00 0.00 H ATOM 88 HE21 GLN A 6 0.949 -1.966 -6.002 1.00 0.00 H ATOM 89 HE22 GLN A 6 2.072 -3.226 -5.820 1.00 0.00 H ATOM 90 N LEU A 7 1.601 -0.656 0.044 1.00 0.00 N ATOM 91 CA LEU A 7 2.439 -1.016 1.221 1.00 0.00 C ATOM 92 C LEU A 7 1.595 -0.950 2.493 1.00 0.00 C ATOM 93 O LEU A 7 1.750 -1.748 3.398 1.00 0.00 O ATOM 94 CB LEU A 7 3.552 0.032 1.260 1.00 0.00 C ATOM 95 CG LEU A 7 4.620 -0.316 0.224 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.116 0.966 -0.448 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.794 -1.014 0.916 1.00 0.00 C ATOM 98 H LEU A 7 1.892 0.052 -0.573 1.00 0.00 H ATOM 99 HA LEU A 7 2.858 -2.001 1.097 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.138 1.005 1.040 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.999 0.044 2.243 1.00 0.00 H ATOM 102 HG LEU A 7 4.199 -0.972 -0.523 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.015 0.873 -1.518 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.154 1.127 -0.196 1.00 0.00 H ATOM 105 HD13 LEU A 7 4.528 1.804 -0.101 1.00 0.00 H ATOM 106 HD21 LEU A 7 6.700 -0.835 0.357 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.604 -2.077 0.962 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.905 -0.624 1.917 1.00 0.00 H ATOM 109 N GLU A 8 0.696 -0.007 2.568 1.00 0.00 N ATOM 110 CA GLU A 8 -0.158 0.108 3.781 1.00 0.00 C ATOM 111 C GLU A 8 -1.213 -0.999 3.786 1.00 0.00 C ATOM 112 O GLU A 8 -1.746 -1.354 4.818 1.00 0.00 O ATOM 113 CB GLU A 8 -0.816 1.485 3.679 1.00 0.00 C ATOM 114 CG GLU A 8 -0.311 2.377 4.816 1.00 0.00 C ATOM 115 CD GLU A 8 -0.434 3.845 4.407 1.00 0.00 C ATOM 116 OE1 GLU A 8 -0.564 4.101 3.221 1.00 0.00 O ATOM 117 OE2 GLU A 8 -0.397 4.691 5.286 1.00 0.00 O ATOM 118 H GLU A 8 0.582 0.624 1.826 1.00 0.00 H ATOM 119 HA GLU A 8 0.447 0.051 4.669 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.563 1.935 2.729 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.888 1.380 3.756 1.00 0.00 H ATOM 122 HG2 GLU A 8 -0.902 2.198 5.703 1.00 0.00 H ATOM 123 HG3 GLU A 8 0.724 2.148 5.021 1.00 0.00 H ATOM 124 N GLU A 9 -1.508 -1.560 2.645 1.00 0.00 N ATOM 125 CA GLU A 9 -2.518 -2.655 2.608 1.00 0.00 C ATOM 126 C GLU A 9 -1.835 -3.979 2.953 1.00 0.00 C ATOM 127 O GLU A 9 -2.457 -4.916 3.414 1.00 0.00 O ATOM 128 CB GLU A 9 -3.079 -2.652 1.174 1.00 0.00 C ATOM 129 CG GLU A 9 -2.209 -3.513 0.247 1.00 0.00 C ATOM 130 CD GLU A 9 -2.925 -4.833 -0.041 1.00 0.00 C ATOM 131 OE1 GLU A 9 -3.867 -4.816 -0.817 1.00 0.00 O ATOM 132 OE2 GLU A 9 -2.519 -5.839 0.517 1.00 0.00 O ATOM 133 H GLU A 9 -1.058 -1.271 1.820 1.00 0.00 H ATOM 134 HA GLU A 9 -3.309 -2.452 3.312 1.00 0.00 H ATOM 135 HB2 GLU A 9 -4.084 -3.044 1.184 1.00 0.00 H ATOM 136 HB3 GLU A 9 -3.096 -1.638 0.802 1.00 0.00 H ATOM 137 HG2 GLU A 9 -2.041 -2.986 -0.681 1.00 0.00 H ATOM 138 HG3 GLU A 9 -1.264 -3.717 0.721 1.00 0.00 H ATOM 139 N PHE A 10 -0.550 -4.047 2.747 1.00 0.00 N ATOM 140 CA PHE A 10 0.199 -5.291 3.076 1.00 0.00 C ATOM 141 C PHE A 10 0.924 -5.103 4.410 1.00 0.00 C ATOM 142 O PHE A 10 1.453 -6.035 4.981 1.00 0.00 O ATOM 143 CB PHE A 10 1.198 -5.462 1.931 1.00 0.00 C ATOM 144 CG PHE A 10 1.945 -6.765 2.092 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.241 -7.958 2.298 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.345 -6.780 2.028 1.00 0.00 C ATOM 147 CE1 PHE A 10 1.936 -9.164 2.443 1.00 0.00 C ATOM 148 CE2 PHE A 10 4.039 -7.987 2.172 1.00 0.00 C ATOM 149 CZ PHE A 10 3.334 -9.179 2.379 1.00 0.00 C ATOM 150 H PHE A 10 -0.071 -3.267 2.390 1.00 0.00 H ATOM 151 HA PHE A 10 -0.468 -6.136 3.120 1.00 0.00 H ATOM 152 HB2 PHE A 10 0.667 -5.466 0.991 1.00 0.00 H ATOM 153 HB3 PHE A 10 1.901 -4.641 1.942 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.162 -7.946 2.347 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.888 -5.861 1.868 1.00 0.00 H ATOM 156 HE1 PHE A 10 1.393 -10.084 2.602 1.00 0.00 H ATOM 157 HE2 PHE A 10 5.117 -8.000 2.123 1.00 0.00 H ATOM 158 HZ PHE A 10 3.870 -10.110 2.489 1.00 0.00 H ATOM 159 N LEU A 11 0.951 -3.893 4.907 1.00 0.00 N ATOM 160 CA LEU A 11 1.638 -3.628 6.201 1.00 0.00 C ATOM 161 C LEU A 11 1.105 -2.336 6.823 1.00 0.00 C ATOM 162 O LEU A 11 1.862 -1.447 7.160 1.00 0.00 O ATOM 163 CB LEU A 11 3.115 -3.477 5.835 1.00 0.00 C ATOM 164 CG LEU A 11 3.974 -4.242 6.841 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.920 -5.738 6.526 1.00 0.00 C ATOM 166 CD2 LEU A 11 5.421 -3.754 6.745 1.00 0.00 C ATOM 167 H LEU A 11 0.517 -3.155 4.425 1.00 0.00 H ATOM 168 HA LEU A 11 1.508 -4.457 6.877 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.282 -3.873 4.844 1.00 0.00 H ATOM 170 HB3 LEU A 11 3.386 -2.432 5.855 1.00 0.00 H ATOM 171 HG LEU A 11 3.598 -4.072 7.840 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.747 -6.237 7.008 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.984 -5.883 5.457 1.00 0.00 H ATOM 174 HD13 LEU A 11 2.989 -6.150 6.889 1.00 0.00 H ATOM 175 HD21 LEU A 11 5.945 -4.327 5.995 1.00 0.00 H ATOM 176 HD22 LEU A 11 5.907 -3.881 7.701 1.00 0.00 H ATOM 177 HD23 LEU A 11 5.430 -2.709 6.473 1.00 0.00 H HETATM 178 N NH2 A 12 -0.181 -2.191 6.990 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.793 -2.907 6.719 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.534 -1.367 7.385 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 67 HETATM 1 C ACE A 1 -0.579 5.668 -4.042 1.00 0.00 C HETATM 2 O ACE A 1 -0.972 5.115 -3.032 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.076 7.113 -4.011 1.00 0.00 C HETATM 4 H1 ACE A 1 0.542 7.298 -4.877 1.00 0.00 H HETATM 5 H2 ACE A 1 0.504 7.273 -3.114 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.919 7.789 -4.019 1.00 0.00 H ATOM 7 N LEU A 2 -0.562 5.047 -5.191 1.00 0.00 N ATOM 8 CA LEU A 2 -1.031 3.636 -5.278 1.00 0.00 C ATOM 9 C LEU A 2 -0.061 2.738 -4.518 1.00 0.00 C ATOM 10 O LEU A 2 -0.452 1.803 -3.846 1.00 0.00 O ATOM 11 CB LEU A 2 -1.026 3.301 -6.769 1.00 0.00 C ATOM 12 CG LEU A 2 -2.220 2.404 -7.094 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.063 1.835 -8.504 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.282 1.255 -6.085 1.00 0.00 C ATOM 15 H LEU A 2 -0.231 5.503 -5.991 1.00 0.00 H ATOM 16 HA LEU A 2 -2.028 3.543 -4.879 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.093 4.213 -7.344 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.112 2.784 -7.020 1.00 0.00 H ATOM 19 HG LEU A 2 -3.131 2.983 -7.039 1.00 0.00 H ATOM 20 HD11 LEU A 2 -1.030 1.567 -8.671 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.363 2.579 -9.228 1.00 0.00 H ATOM 22 HD13 LEU A 2 -2.685 0.959 -8.611 1.00 0.00 H ATOM 23 HD21 LEU A 2 -1.337 0.733 -6.076 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.069 0.571 -6.366 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.485 1.651 -5.101 1.00 0.00 H ATOM 26 N VAL A 3 1.205 3.033 -4.604 1.00 0.00 N ATOM 27 CA VAL A 3 2.211 2.214 -3.873 1.00 0.00 C ATOM 28 C VAL A 3 2.088 2.489 -2.375 1.00 0.00 C ATOM 29 O VAL A 3 2.446 1.673 -1.548 1.00 0.00 O ATOM 30 CB VAL A 3 3.567 2.680 -4.404 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.688 1.958 -3.652 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.664 2.354 -5.896 1.00 0.00 C ATOM 33 H VAL A 3 1.493 3.802 -5.141 1.00 0.00 H ATOM 34 HA VAL A 3 2.070 1.166 -4.080 1.00 0.00 H ATOM 35 HB VAL A 3 3.663 3.746 -4.258 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.644 2.337 -3.981 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.632 0.898 -3.851 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.579 2.131 -2.591 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.153 1.400 -6.025 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.235 3.122 -6.395 1.00 0.00 H ATOM 41 HG23 VAL A 3 2.672 2.311 -6.320 1.00 0.00 H ATOM 42 N GLY A 4 1.563 3.632 -2.021 1.00 0.00 N ATOM 43 CA GLY A 4 1.392 3.959 -0.581 1.00 0.00 C ATOM 44 C GLY A 4 0.217 3.150 -0.043 1.00 0.00 C ATOM 45 O GLY A 4 0.308 2.505 0.983 1.00 0.00 O ATOM 46 H GLY A 4 1.265 4.267 -2.707 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.293 3.703 -0.040 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.184 5.012 -0.467 1.00 0.00 H ATOM 49 N ARG A 5 -0.883 3.162 -0.744 1.00 0.00 N ATOM 50 CA ARG A 5 -2.062 2.374 -0.288 1.00 0.00 C ATOM 51 C ARG A 5 -1.730 0.883 -0.362 1.00 0.00 C ATOM 52 O ARG A 5 -2.112 0.103 0.489 1.00 0.00 O ATOM 53 CB ARG A 5 -3.181 2.726 -1.268 1.00 0.00 C ATOM 54 CG ARG A 5 -4.121 3.751 -0.630 1.00 0.00 C ATOM 55 CD ARG A 5 -3.412 5.104 -0.536 1.00 0.00 C ATOM 56 NE ARG A 5 -3.221 5.337 0.921 1.00 0.00 N ATOM 57 CZ ARG A 5 -3.574 6.477 1.451 1.00 0.00 C ATOM 58 NH1 ARG A 5 -3.245 7.597 0.869 1.00 0.00 N ATOM 59 NH2 ARG A 5 -4.253 6.496 2.563 1.00 0.00 N ATOM 60 H ARG A 5 -0.928 3.679 -1.579 1.00 0.00 H ATOM 61 HA ARG A 5 -2.343 2.654 0.716 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.751 3.143 -2.168 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.737 1.835 -1.515 1.00 0.00 H ATOM 64 HG2 ARG A 5 -5.010 3.850 -1.237 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.395 3.420 0.361 1.00 0.00 H ATOM 66 HD2 ARG A 5 -2.457 5.062 -1.042 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.030 5.882 -0.957 1.00 0.00 H ATOM 68 HE ARG A 5 -2.832 4.635 1.484 1.00 0.00 H ATOM 69 HH11 ARG A 5 -2.723 7.584 0.016 1.00 0.00 H ATOM 70 HH12 ARG A 5 -3.516 8.470 1.275 1.00 0.00 H ATOM 71 HH21 ARG A 5 -4.504 5.638 3.011 1.00 0.00 H ATOM 72 HH22 ARG A 5 -4.524 7.369 2.969 1.00 0.00 H ATOM 73 N GLN A 6 -1.007 0.487 -1.375 1.00 0.00 N ATOM 74 CA GLN A 6 -0.631 -0.948 -1.512 1.00 0.00 C ATOM 75 C GLN A 6 0.235 -1.370 -0.326 1.00 0.00 C ATOM 76 O GLN A 6 -0.074 -2.311 0.379 1.00 0.00 O ATOM 77 CB GLN A 6 0.171 -1.024 -2.812 1.00 0.00 C ATOM 78 CG GLN A 6 -0.759 -1.398 -3.966 1.00 0.00 C ATOM 79 CD GLN A 6 -0.688 -2.906 -4.211 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.202 -3.571 -3.718 1.00 0.00 O ATOM 81 NE2 GLN A 6 -1.593 -3.479 -4.956 1.00 0.00 N ATOM 82 H GLN A 6 -0.704 1.136 -2.043 1.00 0.00 H ATOM 83 HA GLN A 6 -1.511 -1.567 -1.581 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.625 -0.065 -3.010 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.942 -1.775 -2.716 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.773 -1.120 -3.717 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.451 -0.876 -4.860 1.00 0.00 H ATOM 88 HE21 GLN A 6 -2.310 -2.942 -5.355 1.00 0.00 H ATOM 89 HE22 GLN A 6 -1.556 -4.444 -5.117 1.00 0.00 H ATOM 90 N LEU A 7 1.317 -0.676 -0.097 1.00 0.00 N ATOM 91 CA LEU A 7 2.199 -1.033 1.047 1.00 0.00 C ATOM 92 C LEU A 7 1.432 -0.876 2.359 1.00 0.00 C ATOM 93 O LEU A 7 1.589 -1.654 3.280 1.00 0.00 O ATOM 94 CB LEU A 7 3.361 -0.044 0.976 1.00 0.00 C ATOM 95 CG LEU A 7 4.558 -0.715 0.301 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.432 0.349 -0.363 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.376 -1.467 1.352 1.00 0.00 C ATOM 98 H LEU A 7 1.545 0.083 -0.676 1.00 0.00 H ATOM 99 HA LEU A 7 2.564 -2.042 0.941 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.062 0.821 0.402 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.638 0.262 1.973 1.00 0.00 H ATOM 102 HG LEU A 7 4.204 -1.410 -0.447 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.689 1.108 0.360 1.00 0.00 H ATOM 104 HD12 LEU A 7 4.890 0.800 -1.182 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.334 -0.111 -0.739 1.00 0.00 H ATOM 106 HD21 LEU A 7 6.257 -0.893 1.599 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.671 -2.428 0.958 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.778 -1.609 2.240 1.00 0.00 H ATOM 109 N GLU A 8 0.588 0.116 2.446 1.00 0.00 N ATOM 110 CA GLU A 8 -0.199 0.306 3.694 1.00 0.00 C ATOM 111 C GLU A 8 -1.112 -0.898 3.884 1.00 0.00 C ATOM 112 O GLU A 8 -1.427 -1.292 4.989 1.00 0.00 O ATOM 113 CB GLU A 8 -1.015 1.579 3.465 1.00 0.00 C ATOM 114 CG GLU A 8 -1.455 2.157 4.811 1.00 0.00 C ATOM 115 CD GLU A 8 -1.530 3.683 4.712 1.00 0.00 C ATOM 116 OE1 GLU A 8 -0.845 4.236 3.869 1.00 0.00 O ATOM 117 OE2 GLU A 8 -2.272 4.270 5.482 1.00 0.00 O ATOM 118 H GLU A 8 0.463 0.722 1.688 1.00 0.00 H ATOM 119 HA GLU A 8 0.456 0.422 4.541 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.409 2.305 2.942 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.888 1.346 2.873 1.00 0.00 H ATOM 122 HG2 GLU A 8 -2.428 1.764 5.070 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.741 1.883 5.572 1.00 0.00 H ATOM 124 N GLU A 9 -1.518 -1.498 2.803 1.00 0.00 N ATOM 125 CA GLU A 9 -2.388 -2.698 2.900 1.00 0.00 C ATOM 126 C GLU A 9 -1.508 -3.932 3.083 1.00 0.00 C ATOM 127 O GLU A 9 -1.949 -4.965 3.544 1.00 0.00 O ATOM 128 CB GLU A 9 -3.141 -2.756 1.572 1.00 0.00 C ATOM 129 CG GLU A 9 -4.644 -2.666 1.837 1.00 0.00 C ATOM 130 CD GLU A 9 -5.274 -4.049 1.671 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.876 -4.755 0.758 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.144 -4.380 2.459 1.00 0.00 O ATOM 133 H GLU A 9 -1.231 -1.168 1.924 1.00 0.00 H ATOM 134 HA GLU A 9 -3.081 -2.599 3.720 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.833 -1.929 0.948 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.921 -3.687 1.072 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.809 -2.312 2.845 1.00 0.00 H ATOM 138 HG3 GLU A 9 -5.093 -1.980 1.136 1.00 0.00 H ATOM 139 N PHE A 10 -0.256 -3.816 2.735 1.00 0.00 N ATOM 140 CA PHE A 10 0.676 -4.964 2.897 1.00 0.00 C ATOM 141 C PHE A 10 1.125 -5.046 4.356 1.00 0.00 C ATOM 142 O PHE A 10 1.483 -6.097 4.851 1.00 0.00 O ATOM 143 CB PHE A 10 1.864 -4.643 1.989 1.00 0.00 C ATOM 144 CG PHE A 10 1.737 -5.405 0.691 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.539 -6.791 0.707 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.822 -4.725 -0.530 1.00 0.00 C ATOM 147 CE1 PHE A 10 1.425 -7.496 -0.498 1.00 0.00 C ATOM 148 CE2 PHE A 10 1.710 -5.430 -1.735 1.00 0.00 C ATOM 149 CZ PHE A 10 1.511 -6.815 -1.718 1.00 0.00 C ATOM 150 H PHE A 10 0.076 -2.964 2.378 1.00 0.00 H ATOM 151 HA PHE A 10 0.206 -5.884 2.587 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.879 -3.581 1.783 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.781 -4.926 2.484 1.00 0.00 H ATOM 154 HD1 PHE A 10 1.471 -7.316 1.649 1.00 0.00 H ATOM 155 HD2 PHE A 10 1.975 -3.655 -0.543 1.00 0.00 H ATOM 156 HE1 PHE A 10 1.272 -8.565 -0.486 1.00 0.00 H ATOM 157 HE2 PHE A 10 1.775 -4.905 -2.676 1.00 0.00 H ATOM 158 HZ PHE A 10 1.424 -7.359 -2.647 1.00 0.00 H ATOM 159 N LEU A 11 1.101 -3.938 5.048 1.00 0.00 N ATOM 160 CA LEU A 11 1.521 -3.938 6.479 1.00 0.00 C ATOM 161 C LEU A 11 0.863 -2.773 7.224 1.00 0.00 C ATOM 162 O LEU A 11 -0.146 -2.945 7.883 1.00 0.00 O ATOM 163 CB LEU A 11 3.040 -3.764 6.447 1.00 0.00 C ATOM 164 CG LEU A 11 3.711 -5.054 6.921 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.229 -4.864 6.942 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.222 -5.394 8.332 1.00 0.00 C ATOM 167 H LEU A 11 0.805 -3.101 4.625 1.00 0.00 H ATOM 168 HA LEU A 11 1.268 -4.877 6.946 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.355 -3.544 5.437 1.00 0.00 H ATOM 170 HB3 LEU A 11 3.325 -2.951 7.098 1.00 0.00 H ATOM 171 HG LEU A 11 3.458 -5.859 6.247 1.00 0.00 H ATOM 172 HD11 LEU A 11 5.597 -4.808 5.928 1.00 0.00 H ATOM 173 HD12 LEU A 11 5.688 -5.703 7.446 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.471 -3.952 7.465 1.00 0.00 H ATOM 175 HD21 LEU A 11 2.482 -6.178 8.277 1.00 0.00 H ATOM 176 HD22 LEU A 11 2.783 -4.516 8.783 1.00 0.00 H ATOM 177 HD23 LEU A 11 4.056 -5.727 8.931 1.00 0.00 H HETATM 178 N NH2 A 12 1.393 -1.583 7.147 1.00 0.00 N HETATM 179 HN1 NH2 A 12 2.205 -1.443 6.617 1.00 0.00 H HETATM 180 HN2 NH2 A 12 0.979 -0.831 7.617 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 68 HETATM 1 C ACE A 1 -0.508 5.817 -3.900 1.00 0.00 C HETATM 2 O ACE A 1 -1.063 5.189 -3.019 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.044 7.221 -3.647 1.00 0.00 C HETATM 4 H1 ACE A 1 0.343 7.308 -2.612 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.721 7.951 -3.865 1.00 0.00 H HETATM 6 H3 ACE A 1 0.899 7.393 -4.284 1.00 0.00 H ATOM 7 N LEU A 2 -0.350 5.313 -5.093 1.00 0.00 N ATOM 8 CA LEU A 2 -0.857 3.946 -5.391 1.00 0.00 C ATOM 9 C LEU A 2 -0.009 2.929 -4.638 1.00 0.00 C ATOM 10 O LEU A 2 -0.514 2.030 -3.990 1.00 0.00 O ATOM 11 CB LEU A 2 -0.684 3.780 -6.901 1.00 0.00 C ATOM 12 CG LEU A 2 -2.004 3.329 -7.527 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.574 2.156 -6.729 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.999 4.491 -7.506 1.00 0.00 C ATOM 15 H LEU A 2 0.114 5.825 -5.786 1.00 0.00 H ATOM 16 HA LEU A 2 -1.897 3.856 -5.118 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.383 4.724 -7.333 1.00 0.00 H ATOM 18 HB3 LEU A 2 0.076 3.038 -7.094 1.00 0.00 H ATOM 19 HG LEU A 2 -1.831 3.019 -8.548 1.00 0.00 H ATOM 20 HD11 LEU A 2 -1.882 1.883 -5.946 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.724 1.312 -7.387 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.518 2.443 -6.291 1.00 0.00 H ATOM 23 HD21 LEU A 2 -2.711 5.198 -6.742 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.988 4.114 -7.291 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.002 4.982 -8.468 1.00 0.00 H ATOM 26 N VAL A 3 1.281 3.083 -4.704 1.00 0.00 N ATOM 27 CA VAL A 3 2.173 2.143 -3.977 1.00 0.00 C ATOM 28 C VAL A 3 2.025 2.382 -2.477 1.00 0.00 C ATOM 29 O VAL A 3 2.331 1.532 -1.670 1.00 0.00 O ATOM 30 CB VAL A 3 3.591 2.476 -4.444 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.526 1.311 -4.109 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.592 2.707 -5.957 1.00 0.00 C ATOM 33 H VAL A 3 1.660 3.828 -5.219 1.00 0.00 H ATOM 34 HA VAL A 3 1.930 1.121 -4.225 1.00 0.00 H ATOM 35 HB VAL A 3 3.935 3.369 -3.942 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.546 1.665 -4.077 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.434 0.547 -4.865 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.256 0.899 -3.147 1.00 0.00 H ATOM 39 HG21 VAL A 3 2.652 2.375 -6.372 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.400 2.148 -6.407 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.724 3.758 -6.161 1.00 0.00 H ATOM 42 N GLY A 4 1.534 3.535 -2.106 1.00 0.00 N ATOM 43 CA GLY A 4 1.343 3.833 -0.661 1.00 0.00 C ATOM 44 C GLY A 4 0.132 3.054 -0.164 1.00 0.00 C ATOM 45 O GLY A 4 0.176 2.401 0.861 1.00 0.00 O ATOM 46 H GLY A 4 1.277 4.197 -2.779 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.223 3.534 -0.110 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.169 4.889 -0.527 1.00 0.00 H ATOM 49 N ARG A 5 -0.950 3.100 -0.892 1.00 0.00 N ATOM 50 CA ARG A 5 -2.158 2.342 -0.462 1.00 0.00 C ATOM 51 C ARG A 5 -1.824 0.849 -0.410 1.00 0.00 C ATOM 52 O ARG A 5 -2.127 0.163 0.547 1.00 0.00 O ATOM 53 CB ARG A 5 -3.214 2.618 -1.534 1.00 0.00 C ATOM 54 CG ARG A 5 -3.727 4.052 -1.398 1.00 0.00 C ATOM 55 CD ARG A 5 -5.238 4.032 -1.159 1.00 0.00 C ATOM 56 NE ARG A 5 -5.598 5.440 -0.835 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.651 5.988 -1.380 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.619 6.352 -2.632 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.734 6.171 -0.674 1.00 0.00 N ATOM 60 H ARG A 5 -0.963 3.623 -1.725 1.00 0.00 H ATOM 61 HA ARG A 5 -2.502 2.689 0.498 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.778 2.482 -2.513 1.00 0.00 H ATOM 63 HB3 ARG A 5 -4.039 1.931 -1.409 1.00 0.00 H ATOM 64 HG2 ARG A 5 -3.234 4.534 -0.565 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.516 4.598 -2.306 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.754 3.704 -2.051 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.478 3.388 -0.326 1.00 0.00 H ATOM 68 HE ARG A 5 -5.044 5.956 -0.212 1.00 0.00 H ATOM 69 HH11 ARG A 5 -5.790 6.213 -3.172 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.426 6.768 -3.051 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.758 5.893 0.285 1.00 0.00 H ATOM 72 HH22 ARG A 5 -8.539 6.592 -1.093 1.00 0.00 H ATOM 73 N GLN A 6 -1.193 0.342 -1.437 1.00 0.00 N ATOM 74 CA GLN A 6 -0.833 -1.105 -1.446 1.00 0.00 C ATOM 75 C GLN A 6 0.091 -1.432 -0.271 1.00 0.00 C ATOM 76 O GLN A 6 -0.215 -2.272 0.555 1.00 0.00 O ATOM 77 CB GLN A 6 -0.113 -1.325 -2.776 1.00 0.00 C ATOM 78 CG GLN A 6 -1.081 -1.054 -3.928 1.00 0.00 C ATOM 79 CD GLN A 6 -0.873 -2.091 -5.032 1.00 0.00 C ATOM 80 OE1 GLN A 6 -0.217 -3.093 -4.827 1.00 0.00 O ATOM 81 NE2 GLN A 6 -1.412 -1.891 -6.203 1.00 0.00 N ATOM 82 H GLN A 6 -0.953 0.914 -2.199 1.00 0.00 H ATOM 83 HA GLN A 6 -1.723 -1.714 -1.407 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.729 -0.650 -2.844 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.237 -2.345 -2.833 1.00 0.00 H ATOM 86 HG2 GLN A 6 -2.096 -1.114 -3.563 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.898 -0.067 -4.325 1.00 0.00 H ATOM 88 HE21 GLN A 6 -1.943 -1.084 -6.367 1.00 0.00 H ATOM 89 HE22 GLN A 6 -1.286 -2.548 -6.920 1.00 0.00 H ATOM 90 N LEU A 7 1.221 -0.779 -0.181 1.00 0.00 N ATOM 91 CA LEU A 7 2.150 -1.068 0.950 1.00 0.00 C ATOM 92 C LEU A 7 1.400 -0.953 2.276 1.00 0.00 C ATOM 93 O LEU A 7 1.593 -1.743 3.180 1.00 0.00 O ATOM 94 CB LEU A 7 3.254 -0.015 0.860 1.00 0.00 C ATOM 95 CG LEU A 7 4.605 -0.714 0.709 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.701 0.327 0.472 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.917 -1.500 1.984 1.00 0.00 C ATOM 98 H LEU A 7 1.457 -0.104 -0.853 1.00 0.00 H ATOM 99 HA LEU A 7 2.572 -2.054 0.845 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.079 0.620 0.007 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.259 0.583 1.759 1.00 0.00 H ATOM 102 HG LEU A 7 4.566 -1.391 -0.133 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.253 1.252 0.140 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.384 -0.034 -0.283 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.239 0.499 1.393 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.986 -1.596 2.096 1.00 0.00 H ATOM 107 HD22 LEU A 7 4.472 -2.482 1.920 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.512 -0.976 2.838 1.00 0.00 H ATOM 109 N GLU A 8 0.533 0.014 2.396 1.00 0.00 N ATOM 110 CA GLU A 8 -0.236 0.153 3.660 1.00 0.00 C ATOM 111 C GLU A 8 -1.132 -1.071 3.822 1.00 0.00 C ATOM 112 O GLU A 8 -1.438 -1.496 4.918 1.00 0.00 O ATOM 113 CB GLU A 8 -1.071 1.424 3.495 1.00 0.00 C ATOM 114 CG GLU A 8 -1.418 1.989 4.873 1.00 0.00 C ATOM 115 CD GLU A 8 -2.026 3.385 4.717 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.678 4.056 3.760 1.00 0.00 O ATOM 117 OE2 GLU A 8 -2.829 3.757 5.557 1.00 0.00 O ATOM 118 H GLU A 8 0.377 0.632 1.654 1.00 0.00 H ATOM 119 HA GLU A 8 0.431 0.250 4.502 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.504 2.155 2.936 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.981 1.190 2.963 1.00 0.00 H ATOM 122 HG2 GLU A 8 -2.131 1.338 5.359 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.522 2.054 5.472 1.00 0.00 H ATOM 124 N GLU A 9 -1.535 -1.653 2.726 1.00 0.00 N ATOM 125 CA GLU A 9 -2.392 -2.869 2.803 1.00 0.00 C ATOM 126 C GLU A 9 -1.520 -4.077 3.149 1.00 0.00 C ATOM 127 O GLU A 9 -1.988 -5.066 3.677 1.00 0.00 O ATOM 128 CB GLU A 9 -3.002 -3.018 1.409 1.00 0.00 C ATOM 129 CG GLU A 9 -4.525 -2.918 1.508 1.00 0.00 C ATOM 130 CD GLU A 9 -5.167 -4.000 0.639 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.831 -5.158 0.827 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.982 -3.654 -0.199 1.00 0.00 O ATOM 133 H GLU A 9 -1.259 -1.299 1.851 1.00 0.00 H ATOM 134 HA GLU A 9 -3.170 -2.738 3.539 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.629 -2.232 0.767 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.733 -3.978 0.997 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.827 -3.055 2.537 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.846 -1.947 1.166 1.00 0.00 H ATOM 139 N PHE A 10 -0.248 -3.992 2.863 1.00 0.00 N ATOM 140 CA PHE A 10 0.668 -5.122 3.184 1.00 0.00 C ATOM 141 C PHE A 10 1.276 -4.913 4.574 1.00 0.00 C ATOM 142 O PHE A 10 1.848 -5.813 5.157 1.00 0.00 O ATOM 143 CB PHE A 10 1.755 -5.072 2.107 1.00 0.00 C ATOM 144 CG PHE A 10 2.559 -6.351 2.143 1.00 0.00 C ATOM 145 CD1 PHE A 10 3.471 -6.576 3.181 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.392 -7.311 1.137 1.00 0.00 C ATOM 147 CE1 PHE A 10 4.216 -7.760 3.213 1.00 0.00 C ATOM 148 CE2 PHE A 10 3.138 -8.496 1.170 1.00 0.00 C ATOM 149 CZ PHE A 10 4.050 -8.720 2.208 1.00 0.00 C ATOM 150 H PHE A 10 0.105 -3.178 2.445 1.00 0.00 H ATOM 151 HA PHE A 10 0.143 -6.062 3.138 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.295 -4.962 1.137 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.408 -4.232 2.293 1.00 0.00 H ATOM 154 HD1 PHE A 10 3.601 -5.835 3.956 1.00 0.00 H ATOM 155 HD2 PHE A 10 1.688 -7.138 0.337 1.00 0.00 H ATOM 156 HE1 PHE A 10 4.921 -7.934 4.013 1.00 0.00 H ATOM 157 HE2 PHE A 10 3.010 -9.237 0.394 1.00 0.00 H ATOM 158 HZ PHE A 10 4.625 -9.634 2.232 1.00 0.00 H ATOM 159 N LEU A 11 1.149 -3.728 5.108 1.00 0.00 N ATOM 160 CA LEU A 11 1.710 -3.451 6.462 1.00 0.00 C ATOM 161 C LEU A 11 0.592 -3.463 7.507 1.00 0.00 C ATOM 162 O LEU A 11 0.697 -2.833 8.540 1.00 0.00 O ATOM 163 CB LEU A 11 2.329 -2.056 6.356 1.00 0.00 C ATOM 164 CG LEU A 11 3.506 -1.945 7.328 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.817 -1.887 6.539 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.359 -0.671 8.164 1.00 0.00 C ATOM 167 H LEU A 11 0.681 -3.018 4.619 1.00 0.00 H ATOM 168 HA LEU A 11 2.470 -4.174 6.712 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.678 -1.893 5.346 1.00 0.00 H ATOM 170 HB3 LEU A 11 1.587 -1.313 6.606 1.00 0.00 H ATOM 171 HG LEU A 11 3.518 -2.806 7.979 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.617 -1.547 5.534 1.00 0.00 H ATOM 173 HD12 LEU A 11 5.260 -2.872 6.506 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.497 -1.202 7.023 1.00 0.00 H ATOM 175 HD21 LEU A 11 3.126 -0.935 9.184 1.00 0.00 H ATOM 176 HD22 LEU A 11 2.561 -0.065 7.759 1.00 0.00 H ATOM 177 HD23 LEU A 11 4.283 -0.113 8.137 1.00 0.00 H HETATM 178 N NH2 A 12 -0.489 -4.159 7.278 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.576 -4.668 6.445 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -1.212 -4.173 7.938 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 69 HETATM 1 C ACE A 1 -0.622 5.619 -4.180 1.00 0.00 C HETATM 2 O ACE A 1 -1.069 5.100 -3.174 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.159 7.078 -4.184 1.00 0.00 C HETATM 4 H1 ACE A 1 0.178 7.346 -5.174 1.00 0.00 H HETATM 5 H2 ACE A 1 0.651 7.200 -3.481 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.982 7.717 -3.899 1.00 0.00 H ATOM 7 N LEU A 2 -0.514 4.949 -5.296 1.00 0.00 N ATOM 8 CA LEU A 2 -0.944 3.525 -5.349 1.00 0.00 C ATOM 9 C LEU A 2 0.039 2.665 -4.561 1.00 0.00 C ATOM 10 O LEU A 2 -0.341 1.734 -3.878 1.00 0.00 O ATOM 11 CB LEU A 2 -0.920 3.153 -6.832 1.00 0.00 C ATOM 12 CG LEU A 2 -2.289 2.609 -7.244 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.651 1.415 -6.360 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.342 3.705 -7.077 1.00 0.00 C ATOM 15 H LEU A 2 -0.145 5.381 -6.094 1.00 0.00 H ATOM 16 HA LEU A 2 -1.940 3.417 -4.955 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.687 4.029 -7.420 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.168 2.396 -7.001 1.00 0.00 H ATOM 19 HG LEU A 2 -2.254 2.293 -8.278 1.00 0.00 H ATOM 20 HD11 LEU A 2 -1.767 0.822 -6.175 1.00 0.00 H ATOM 21 HD12 LEU A 2 -3.393 0.809 -6.859 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.049 1.770 -5.421 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.124 4.521 -7.751 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.327 4.066 -6.058 1.00 0.00 H ATOM 25 HD23 LEU A 2 -4.319 3.304 -7.302 1.00 0.00 H ATOM 26 N VAL A 3 1.300 2.978 -4.640 1.00 0.00 N ATOM 27 CA VAL A 3 2.308 2.188 -3.882 1.00 0.00 C ATOM 28 C VAL A 3 2.156 2.474 -2.388 1.00 0.00 C ATOM 29 O VAL A 3 2.497 1.664 -1.546 1.00 0.00 O ATOM 30 CB VAL A 3 3.664 2.676 -4.390 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.754 2.450 -5.901 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.814 4.168 -4.089 1.00 0.00 C ATOM 33 H VAL A 3 1.583 3.741 -5.189 1.00 0.00 H ATOM 34 HA VAL A 3 2.192 1.133 -4.081 1.00 0.00 H ATOM 35 HB VAL A 3 4.453 2.125 -3.898 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.433 1.635 -6.104 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.118 3.349 -6.378 1.00 0.00 H ATOM 38 HG13 VAL A 3 2.775 2.208 -6.288 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.083 4.726 -4.655 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.807 4.494 -4.366 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.661 4.340 -3.034 1.00 0.00 H ATOM 42 N GLY A 4 1.629 3.622 -2.055 1.00 0.00 N ATOM 43 CA GLY A 4 1.439 3.967 -0.620 1.00 0.00 C ATOM 44 C GLY A 4 0.223 3.214 -0.090 1.00 0.00 C ATOM 45 O GLY A 4 0.269 2.592 0.953 1.00 0.00 O ATOM 46 H GLY A 4 1.347 4.252 -2.751 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.318 3.680 -0.059 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.275 5.029 -0.519 1.00 0.00 H ATOM 49 N ARG A 5 -0.863 3.252 -0.811 1.00 0.00 N ATOM 50 CA ARG A 5 -2.078 2.523 -0.352 1.00 0.00 C ATOM 51 C ARG A 5 -1.759 1.031 -0.241 1.00 0.00 C ATOM 52 O ARG A 5 -2.061 0.389 0.747 1.00 0.00 O ATOM 53 CB ARG A 5 -3.126 2.771 -1.436 1.00 0.00 C ATOM 54 CG ARG A 5 -3.411 4.271 -1.535 1.00 0.00 C ATOM 55 CD ARG A 5 -4.907 4.521 -1.338 1.00 0.00 C ATOM 56 NE ARG A 5 -5.450 4.699 -2.713 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.731 4.575 -2.930 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.585 5.193 -2.162 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.157 3.831 -3.915 1.00 0.00 N ATOM 60 H ARG A 5 -0.876 3.753 -1.657 1.00 0.00 H ATOM 61 HA ARG A 5 -2.420 2.911 0.595 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.755 2.411 -2.385 1.00 0.00 H ATOM 63 HB3 ARG A 5 -4.038 2.251 -1.182 1.00 0.00 H ATOM 64 HG2 ARG A 5 -2.853 4.794 -0.772 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.113 4.631 -2.509 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.369 3.671 -0.855 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.067 5.418 -0.760 1.00 0.00 H ATOM 68 HE ARG A 5 -4.846 4.909 -3.455 1.00 0.00 H ATOM 69 HH11 ARG A 5 -7.259 5.762 -1.407 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.567 5.097 -2.329 1.00 0.00 H ATOM 71 HH21 ARG A 5 -6.501 3.358 -4.503 1.00 0.00 H ATOM 72 HH22 ARG A 5 -8.137 3.736 -4.081 1.00 0.00 H ATOM 73 N GLN A 6 -1.137 0.477 -1.246 1.00 0.00 N ATOM 74 CA GLN A 6 -0.786 -0.969 -1.199 1.00 0.00 C ATOM 75 C GLN A 6 0.159 -1.232 -0.025 1.00 0.00 C ATOM 76 O GLN A 6 -0.077 -2.106 0.785 1.00 0.00 O ATOM 77 CB GLN A 6 -0.087 -1.254 -2.528 1.00 0.00 C ATOM 78 CG GLN A 6 -1.136 -1.496 -3.614 1.00 0.00 C ATOM 79 CD GLN A 6 -0.437 -1.812 -4.936 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.103 -0.932 -5.576 1.00 0.00 O ATOM 81 NE2 GLN A 6 -0.423 -3.042 -5.377 1.00 0.00 N ATOM 82 H GLN A 6 -0.895 1.016 -2.029 1.00 0.00 H ATOM 83 HA GLN A 6 -1.677 -1.571 -1.111 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.527 -0.408 -2.800 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.533 -2.132 -2.426 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.763 -2.329 -3.329 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.744 -0.613 -3.732 1.00 0.00 H ATOM 88 HE21 GLN A 6 -0.858 -3.751 -4.861 1.00 0.00 H ATOM 89 HE22 GLN A 6 0.022 -3.253 -6.224 1.00 0.00 H ATOM 90 N LEU A 7 1.223 -0.482 0.078 1.00 0.00 N ATOM 91 CA LEU A 7 2.170 -0.695 1.210 1.00 0.00 C ATOM 92 C LEU A 7 1.397 -0.771 2.527 1.00 0.00 C ATOM 93 O LEU A 7 1.517 -1.721 3.278 1.00 0.00 O ATOM 94 CB LEU A 7 3.092 0.525 1.194 1.00 0.00 C ATOM 95 CG LEU A 7 4.229 0.319 2.194 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.532 0.048 1.440 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.388 1.579 3.048 1.00 0.00 C ATOM 98 H LEU A 7 1.397 0.224 -0.583 1.00 0.00 H ATOM 99 HA LEU A 7 2.744 -1.595 1.056 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.502 0.654 0.203 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.529 1.405 1.468 1.00 0.00 H ATOM 102 HG LEU A 7 4.001 -0.523 2.831 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.340 0.049 0.377 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.924 -0.914 1.734 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.252 0.818 1.676 1.00 0.00 H ATOM 106 HD21 LEU A 7 3.910 1.430 4.005 1.00 0.00 H ATOM 107 HD22 LEU A 7 3.930 2.416 2.544 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.439 1.782 3.199 1.00 0.00 H ATOM 109 N GLU A 8 0.589 0.214 2.807 1.00 0.00 N ATOM 110 CA GLU A 8 -0.204 0.187 4.066 1.00 0.00 C ATOM 111 C GLU A 8 -1.142 -1.016 4.030 1.00 0.00 C ATOM 112 O GLU A 8 -1.550 -1.535 5.050 1.00 0.00 O ATOM 113 CB GLU A 8 -0.997 1.493 4.067 1.00 0.00 C ATOM 114 CG GLU A 8 -1.380 1.857 5.503 1.00 0.00 C ATOM 115 CD GLU A 8 -0.524 3.033 5.977 1.00 0.00 C ATOM 116 OE1 GLU A 8 -0.024 3.755 5.130 1.00 0.00 O ATOM 117 OE2 GLU A 8 -0.383 3.191 7.179 1.00 0.00 O ATOM 118 H GLU A 8 0.493 0.962 2.183 1.00 0.00 H ATOM 119 HA GLU A 8 0.446 0.141 4.926 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.392 2.282 3.644 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.894 1.371 3.478 1.00 0.00 H ATOM 122 HG2 GLU A 8 -2.424 2.134 5.538 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.210 1.009 6.148 1.00 0.00 H ATOM 124 N GLU A 9 -1.473 -1.466 2.852 1.00 0.00 N ATOM 125 CA GLU A 9 -2.375 -2.646 2.729 1.00 0.00 C ATOM 126 C GLU A 9 -1.558 -3.932 2.848 1.00 0.00 C ATOM 127 O GLU A 9 -2.083 -4.992 3.125 1.00 0.00 O ATOM 128 CB GLU A 9 -2.997 -2.531 1.337 1.00 0.00 C ATOM 129 CG GLU A 9 -3.835 -3.776 1.046 1.00 0.00 C ATOM 130 CD GLU A 9 -5.227 -3.355 0.573 1.00 0.00 C ATOM 131 OE1 GLU A 9 -6.065 -3.096 1.420 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.431 -3.296 -0.628 1.00 0.00 O ATOM 133 H GLU A 9 -1.119 -1.029 2.045 1.00 0.00 H ATOM 134 HA GLU A 9 -3.143 -2.613 3.484 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.628 -1.654 1.297 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.214 -2.445 0.598 1.00 0.00 H ATOM 137 HG2 GLU A 9 -3.354 -4.362 0.275 1.00 0.00 H ATOM 138 HG3 GLU A 9 -3.926 -4.368 1.944 1.00 0.00 H ATOM 139 N PHE A 10 -0.272 -3.841 2.649 1.00 0.00 N ATOM 140 CA PHE A 10 0.588 -5.050 2.758 1.00 0.00 C ATOM 141 C PHE A 10 1.167 -5.141 4.170 1.00 0.00 C ATOM 142 O PHE A 10 1.661 -6.170 4.586 1.00 0.00 O ATOM 143 CB PHE A 10 1.704 -4.838 1.734 1.00 0.00 C ATOM 144 CG PHE A 10 2.002 -6.141 1.034 1.00 0.00 C ATOM 145 CD1 PHE A 10 2.632 -7.180 1.728 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.649 -6.311 -0.310 1.00 0.00 C ATOM 147 CE1 PHE A 10 2.910 -8.389 1.079 1.00 0.00 C ATOM 148 CE2 PHE A 10 1.926 -7.520 -0.959 1.00 0.00 C ATOM 149 CZ PHE A 10 2.556 -8.559 -0.264 1.00 0.00 C ATOM 150 H PHE A 10 0.128 -2.973 2.435 1.00 0.00 H ATOM 151 HA PHE A 10 0.028 -5.939 2.518 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.389 -4.102 1.006 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.594 -4.489 2.236 1.00 0.00 H ATOM 154 HD1 PHE A 10 2.905 -7.049 2.765 1.00 0.00 H ATOM 155 HD2 PHE A 10 1.162 -5.510 -0.846 1.00 0.00 H ATOM 156 HE1 PHE A 10 3.396 -9.190 1.615 1.00 0.00 H ATOM 157 HE2 PHE A 10 1.652 -7.651 -1.996 1.00 0.00 H ATOM 158 HZ PHE A 10 2.770 -9.492 -0.765 1.00 0.00 H ATOM 159 N LEU A 11 1.108 -4.067 4.910 1.00 0.00 N ATOM 160 CA LEU A 11 1.653 -4.086 6.298 1.00 0.00 C ATOM 161 C LEU A 11 0.609 -4.650 7.266 1.00 0.00 C ATOM 162 O LEU A 11 -0.561 -4.334 7.175 1.00 0.00 O ATOM 163 CB LEU A 11 1.955 -2.624 6.627 1.00 0.00 C ATOM 164 CG LEU A 11 3.458 -2.374 6.506 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.750 -1.651 5.189 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.926 -1.509 7.678 1.00 0.00 C ATOM 167 H LEU A 11 0.703 -3.247 4.553 1.00 0.00 H ATOM 168 HA LEU A 11 2.559 -4.669 6.340 1.00 0.00 H ATOM 169 HB2 LEU A 11 1.425 -1.985 5.937 1.00 0.00 H ATOM 170 HB3 LEU A 11 1.636 -2.409 7.635 1.00 0.00 H ATOM 171 HG LEU A 11 3.982 -3.319 6.520 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.905 -2.378 4.406 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.638 -1.046 5.301 1.00 0.00 H ATOM 174 HD13 LEU A 11 2.913 -1.018 4.933 1.00 0.00 H ATOM 175 HD21 LEU A 11 3.463 -0.536 7.616 1.00 0.00 H ATOM 176 HD22 LEU A 11 5.000 -1.400 7.640 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.646 -1.982 8.609 1.00 0.00 H HETATM 178 N NH2 A 12 0.988 -5.479 8.201 1.00 0.00 N HETATM 179 HN1 NH2 A 12 1.931 -5.735 8.276 1.00 0.00 H HETATM 180 HN2 NH2 A 12 0.329 -5.845 8.827 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 70 HETATM 1 C ACE A 1 -0.742 5.734 -3.937 1.00 0.00 C HETATM 2 O ACE A 1 -1.033 5.162 -2.904 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.245 7.181 -3.930 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.934 7.796 -3.369 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.182 7.545 -4.945 1.00 0.00 H HETATM 6 H3 ACE A 1 0.731 7.225 -3.471 1.00 0.00 H ATOM 7 N LEU A 2 -0.835 5.133 -5.092 1.00 0.00 N ATOM 8 CA LEU A 2 -1.305 3.723 -5.154 1.00 0.00 C ATOM 9 C LEU A 2 -0.258 2.817 -4.519 1.00 0.00 C ATOM 10 O LEU A 2 -0.571 1.877 -3.814 1.00 0.00 O ATOM 11 CB LEU A 2 -1.461 3.416 -6.644 1.00 0.00 C ATOM 12 CG LEU A 2 -2.946 3.384 -7.010 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.615 2.187 -6.332 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.615 4.678 -6.537 1.00 0.00 C ATOM 15 H LEU A 2 -0.587 5.604 -5.913 1.00 0.00 H ATOM 16 HA LEU A 2 -2.251 3.618 -4.648 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.964 4.181 -7.222 1.00 0.00 H ATOM 18 HB3 LEU A 2 -1.019 2.456 -6.863 1.00 0.00 H ATOM 19 HG LEU A 2 -3.051 3.295 -8.082 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.332 1.281 -6.844 1.00 0.00 H ATOM 21 HD12 LEU A 2 -4.688 2.304 -6.371 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.297 2.133 -5.302 1.00 0.00 H ATOM 23 HD21 LEU A 2 -4.046 5.191 -7.384 1.00 0.00 H ATOM 24 HD22 LEU A 2 -2.879 5.313 -6.067 1.00 0.00 H ATOM 25 HD23 LEU A 2 -4.394 4.441 -5.826 1.00 0.00 H ATOM 26 N VAL A 3 0.991 3.107 -4.749 1.00 0.00 N ATOM 27 CA VAL A 3 2.068 2.281 -4.142 1.00 0.00 C ATOM 28 C VAL A 3 2.057 2.491 -2.629 1.00 0.00 C ATOM 29 O VAL A 3 2.411 1.614 -1.859 1.00 0.00 O ATOM 30 CB VAL A 3 3.364 2.808 -4.756 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.558 4.274 -4.362 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.542 1.981 -4.240 1.00 0.00 C ATOM 33 H VAL A 3 1.217 3.882 -5.308 1.00 0.00 H ATOM 34 HA VAL A 3 1.934 1.240 -4.386 1.00 0.00 H ATOM 35 HB VAL A 3 3.311 2.730 -5.832 1.00 0.00 H ATOM 36 HG11 VAL A 3 3.413 4.384 -3.298 1.00 0.00 H ATOM 37 HG12 VAL A 3 2.841 4.886 -4.888 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.559 4.588 -4.623 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.170 1.096 -3.745 1.00 0.00 H ATOM 40 HG22 VAL A 3 5.118 2.571 -3.540 1.00 0.00 H ATOM 41 HG23 VAL A 3 5.170 1.692 -5.070 1.00 0.00 H ATOM 42 N GLY A 4 1.623 3.646 -2.197 1.00 0.00 N ATOM 43 CA GLY A 4 1.558 3.918 -0.738 1.00 0.00 C ATOM 44 C GLY A 4 0.438 3.068 -0.158 1.00 0.00 C ATOM 45 O GLY A 4 0.601 2.403 0.847 1.00 0.00 O ATOM 46 H GLY A 4 1.318 4.324 -2.837 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.500 3.655 -0.275 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.343 4.961 -0.569 1.00 0.00 H ATOM 49 N ARG A 5 -0.693 3.062 -0.805 1.00 0.00 N ATOM 50 CA ARG A 5 -1.818 2.227 -0.314 1.00 0.00 C ATOM 51 C ARG A 5 -1.402 0.761 -0.375 1.00 0.00 C ATOM 52 O ARG A 5 -1.713 -0.021 0.498 1.00 0.00 O ATOM 53 CB ARG A 5 -2.971 2.497 -1.279 1.00 0.00 C ATOM 54 CG ARG A 5 -3.974 3.448 -0.625 1.00 0.00 C ATOM 55 CD ARG A 5 -4.724 4.218 -1.714 1.00 0.00 C ATOM 56 NE ARG A 5 -6.158 4.130 -1.327 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.850 5.221 -1.147 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.866 5.796 0.024 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.524 5.737 -2.137 1.00 0.00 N ATOM 60 H ARG A 5 -0.791 3.591 -1.628 1.00 0.00 H ATOM 61 HA ARG A 5 -2.094 2.507 0.691 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.587 2.945 -2.183 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.465 1.566 -1.518 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.677 2.878 -0.034 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.449 4.144 0.011 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.398 5.248 -1.733 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.571 3.754 -2.675 1.00 0.00 H ATOM 68 HE ARG A 5 -6.581 3.254 -1.207 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.348 5.401 0.782 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.396 6.632 0.163 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.509 5.297 -3.035 1.00 0.00 H ATOM 72 HH22 ARG A 5 -8.055 6.573 -2.000 1.00 0.00 H ATOM 73 N GLN A 6 -0.681 0.389 -1.401 1.00 0.00 N ATOM 74 CA GLN A 6 -0.224 -1.023 -1.518 1.00 0.00 C ATOM 75 C GLN A 6 0.569 -1.409 -0.270 1.00 0.00 C ATOM 76 O GLN A 6 0.247 -2.363 0.413 1.00 0.00 O ATOM 77 CB GLN A 6 0.673 -1.049 -2.758 1.00 0.00 C ATOM 78 CG GLN A 6 0.093 -2.016 -3.791 1.00 0.00 C ATOM 79 CD GLN A 6 0.651 -1.681 -5.176 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.653 -0.535 -5.580 1.00 0.00 O ATOM 81 NE2 GLN A 6 1.129 -2.637 -5.924 1.00 0.00 N ATOM 82 H GLN A 6 -0.433 1.044 -2.086 1.00 0.00 H ATOM 83 HA GLN A 6 -1.066 -1.683 -1.655 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.728 -0.057 -3.184 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.664 -1.376 -2.479 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.363 -3.029 -3.529 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.983 -1.924 -3.807 1.00 0.00 H ATOM 88 HE21 GLN A 6 1.129 -3.561 -5.597 1.00 0.00 H ATOM 89 HE22 GLN A 6 1.489 -2.432 -6.812 1.00 0.00 H ATOM 90 N LEU A 7 1.601 -0.670 0.043 1.00 0.00 N ATOM 91 CA LEU A 7 2.400 -1.003 1.257 1.00 0.00 C ATOM 92 C LEU A 7 1.529 -0.866 2.509 1.00 0.00 C ATOM 93 O LEU A 7 1.608 -1.664 3.426 1.00 0.00 O ATOM 94 CB LEU A 7 3.540 0.016 1.280 1.00 0.00 C ATOM 95 CG LEU A 7 4.812 -0.656 1.801 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.170 -1.838 0.898 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.961 0.354 1.798 1.00 0.00 C ATOM 98 H LEU A 7 1.845 0.102 -0.515 1.00 0.00 H ATOM 99 HA LEU A 7 2.798 -2.002 1.183 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.712 0.387 0.279 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.278 0.837 1.929 1.00 0.00 H ATOM 102 HG LEU A 7 4.644 -1.011 2.808 1.00 0.00 H ATOM 103 HD11 LEU A 7 6.224 -2.054 0.989 1.00 0.00 H ATOM 104 HD12 LEU A 7 4.941 -1.587 -0.128 1.00 0.00 H ATOM 105 HD13 LEU A 7 4.598 -2.704 1.194 1.00 0.00 H ATOM 106 HD21 LEU A 7 6.579 0.192 0.927 1.00 0.00 H ATOM 107 HD22 LEU A 7 6.555 0.226 2.690 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.559 1.356 1.773 1.00 0.00 H ATOM 109 N GLU A 8 0.691 0.133 2.550 1.00 0.00 N ATOM 110 CA GLU A 8 -0.190 0.312 3.736 1.00 0.00 C ATOM 111 C GLU A 8 -1.172 -0.851 3.816 1.00 0.00 C ATOM 112 O GLU A 8 -1.635 -1.220 4.877 1.00 0.00 O ATOM 113 CB GLU A 8 -0.927 1.631 3.494 1.00 0.00 C ATOM 114 CG GLU A 8 -1.198 2.321 4.832 1.00 0.00 C ATOM 115 CD GLU A 8 -2.702 2.318 5.114 1.00 0.00 C ATOM 116 OE1 GLU A 8 -3.343 1.330 4.793 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.188 3.304 5.644 1.00 0.00 O ATOM 118 H GLU A 8 0.633 0.756 1.798 1.00 0.00 H ATOM 119 HA GLU A 8 0.398 0.372 4.636 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.320 2.273 2.873 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.865 1.431 2.998 1.00 0.00 H ATOM 122 HG2 GLU A 8 -0.682 1.794 5.621 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.845 3.340 4.788 1.00 0.00 H ATOM 124 N GLU A 9 -1.478 -1.446 2.698 1.00 0.00 N ATOM 125 CA GLU A 9 -2.417 -2.601 2.707 1.00 0.00 C ATOM 126 C GLU A 9 -1.629 -3.880 2.973 1.00 0.00 C ATOM 127 O GLU A 9 -2.173 -4.889 3.376 1.00 0.00 O ATOM 128 CB GLU A 9 -3.042 -2.635 1.312 1.00 0.00 C ATOM 129 CG GLU A 9 -4.532 -2.969 1.425 1.00 0.00 C ATOM 130 CD GLU A 9 -5.361 -1.706 1.180 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.777 -0.698 0.816 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.565 -1.768 1.361 1.00 0.00 O ATOM 133 H GLU A 9 -1.078 -1.141 1.857 1.00 0.00 H ATOM 134 HA GLU A 9 -3.179 -2.464 3.457 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.923 -1.672 0.841 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.551 -3.389 0.716 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.789 -3.717 0.689 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.742 -3.349 2.413 1.00 0.00 H ATOM 139 N PHE A 10 -0.345 -3.836 2.755 1.00 0.00 N ATOM 140 CA PHE A 10 0.490 -5.042 2.999 1.00 0.00 C ATOM 141 C PHE A 10 0.914 -5.087 4.467 1.00 0.00 C ATOM 142 O PHE A 10 1.245 -6.130 4.996 1.00 0.00 O ATOM 143 CB PHE A 10 1.707 -4.877 2.089 1.00 0.00 C ATOM 144 CG PHE A 10 1.555 -5.779 0.888 1.00 0.00 C ATOM 145 CD1 PHE A 10 0.321 -5.865 0.233 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.643 -6.532 0.432 1.00 0.00 C ATOM 147 CE1 PHE A 10 0.175 -6.701 -0.879 1.00 0.00 C ATOM 148 CE2 PHE A 10 2.497 -7.370 -0.680 1.00 0.00 C ATOM 149 CZ PHE A 10 1.263 -7.454 -1.336 1.00 0.00 C ATOM 150 H PHE A 10 0.071 -3.006 2.435 1.00 0.00 H ATOM 151 HA PHE A 10 -0.052 -5.936 2.735 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.778 -3.850 1.762 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.601 -5.147 2.629 1.00 0.00 H ATOM 154 HD1 PHE A 10 -0.519 -5.284 0.585 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.595 -6.465 0.937 1.00 0.00 H ATOM 156 HE1 PHE A 10 -0.776 -6.767 -1.385 1.00 0.00 H ATOM 157 HE2 PHE A 10 3.338 -7.950 -1.032 1.00 0.00 H ATOM 158 HZ PHE A 10 1.152 -8.101 -2.193 1.00 0.00 H ATOM 159 N LEU A 11 0.899 -3.964 5.133 1.00 0.00 N ATOM 160 CA LEU A 11 1.295 -3.954 6.569 1.00 0.00 C ATOM 161 C LEU A 11 0.058 -4.095 7.459 1.00 0.00 C ATOM 162 O LEU A 11 -0.814 -3.248 7.454 1.00 0.00 O ATOM 163 CB LEU A 11 1.968 -2.600 6.795 1.00 0.00 C ATOM 164 CG LEU A 11 3.250 -2.797 7.606 1.00 0.00 C ATOM 165 CD1 LEU A 11 2.966 -3.710 8.803 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.320 -3.439 6.720 1.00 0.00 C ATOM 167 H LEU A 11 0.625 -3.130 4.688 1.00 0.00 H ATOM 168 HA LEU A 11 1.995 -4.750 6.772 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.209 -2.154 5.840 1.00 0.00 H ATOM 170 HB3 LEU A 11 1.297 -1.951 7.337 1.00 0.00 H ATOM 171 HG LEU A 11 3.602 -1.838 7.962 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.464 -4.658 8.658 1.00 0.00 H ATOM 173 HD12 LEU A 11 1.902 -3.872 8.887 1.00 0.00 H ATOM 174 HD13 LEU A 11 3.332 -3.245 9.706 1.00 0.00 H ATOM 175 HD21 LEU A 11 4.068 -3.285 5.681 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.370 -4.498 6.925 1.00 0.00 H ATOM 177 HD23 LEU A 11 5.279 -2.987 6.928 1.00 0.00 H HETATM 178 N NH2 A 12 -0.058 -5.143 8.228 1.00 0.00 N HETATM 179 HN1 NH2 A 12 0.644 -5.825 8.233 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.847 -5.246 8.799 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 71 HETATM 1 C ACE A 1 -0.584 5.531 -4.077 1.00 0.00 C HETATM 2 O ACE A 1 -1.104 4.931 -3.155 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.184 7.002 -3.941 1.00 0.00 C HETATM 4 H1 ACE A 1 0.841 7.127 -4.257 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.283 7.308 -2.911 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.828 7.609 -4.560 1.00 0.00 H ATOM 7 N LEU A 2 -0.339 4.943 -5.216 1.00 0.00 N ATOM 8 CA LEU A 2 -0.702 3.510 -5.404 1.00 0.00 C ATOM 9 C LEU A 2 0.195 2.642 -4.525 1.00 0.00 C ATOM 10 O LEU A 2 -0.251 1.704 -3.894 1.00 0.00 O ATOM 11 CB LEU A 2 -0.450 3.223 -6.884 1.00 0.00 C ATOM 12 CG LEU A 2 -0.854 1.780 -7.200 1.00 0.00 C ATOM 13 CD1 LEU A 2 -1.697 1.753 -8.476 1.00 0.00 C ATOM 14 CD2 LEU A 2 0.403 0.930 -7.402 1.00 0.00 C ATOM 15 H LEU A 2 0.091 5.438 -5.943 1.00 0.00 H ATOM 16 HA LEU A 2 -1.739 3.349 -5.163 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.037 3.902 -7.487 1.00 0.00 H ATOM 18 HB3 LEU A 2 0.598 3.358 -7.106 1.00 0.00 H ATOM 19 HG LEU A 2 -1.432 1.382 -6.379 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.718 1.511 -8.226 1.00 0.00 H ATOM 21 HD12 LEU A 2 -1.304 1.007 -9.152 1.00 0.00 H ATOM 22 HD13 LEU A 2 -1.663 2.723 -8.951 1.00 0.00 H ATOM 23 HD21 LEU A 2 0.623 0.858 -8.457 1.00 0.00 H ATOM 24 HD22 LEU A 2 0.234 -0.058 -7.000 1.00 0.00 H ATOM 25 HD23 LEU A 2 1.235 1.390 -6.890 1.00 0.00 H ATOM 26 N VAL A 3 1.455 2.965 -4.468 1.00 0.00 N ATOM 27 CA VAL A 3 2.387 2.174 -3.616 1.00 0.00 C ATOM 28 C VAL A 3 2.103 2.473 -2.146 1.00 0.00 C ATOM 29 O VAL A 3 2.414 1.695 -1.266 1.00 0.00 O ATOM 30 CB VAL A 3 3.786 2.652 -4.001 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.902 4.155 -3.748 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.826 1.914 -3.156 1.00 0.00 C ATOM 33 H VAL A 3 1.785 3.737 -4.977 1.00 0.00 H ATOM 34 HA VAL A 3 2.285 1.119 -3.817 1.00 0.00 H ATOM 35 HB VAL A 3 3.959 2.451 -5.046 1.00 0.00 H ATOM 36 HG11 VAL A 3 3.205 4.446 -2.975 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.677 4.693 -4.657 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.907 4.388 -3.430 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.471 1.835 -2.140 1.00 0.00 H ATOM 40 HG22 VAL A 3 5.757 2.461 -3.171 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.982 0.925 -3.561 1.00 0.00 H ATOM 42 N GLY A 4 1.502 3.599 -1.880 1.00 0.00 N ATOM 43 CA GLY A 4 1.181 3.963 -0.472 1.00 0.00 C ATOM 44 C GLY A 4 -0.038 3.164 -0.021 1.00 0.00 C ATOM 45 O GLY A 4 -0.090 2.660 1.082 1.00 0.00 O ATOM 46 H GLY A 4 1.254 4.203 -2.610 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.025 3.731 0.163 1.00 0.00 H ATOM 48 HA3 GLY A 4 0.961 5.017 -0.413 1.00 0.00 H ATOM 49 N ARG A 5 -1.018 3.038 -0.873 1.00 0.00 N ATOM 50 CA ARG A 5 -2.233 2.262 -0.497 1.00 0.00 C ATOM 51 C ARG A 5 -1.891 0.774 -0.397 1.00 0.00 C ATOM 52 O ARG A 5 -2.257 0.100 0.548 1.00 0.00 O ATOM 53 CB ARG A 5 -3.227 2.504 -1.633 1.00 0.00 C ATOM 54 CG ARG A 5 -3.315 4.002 -1.927 1.00 0.00 C ATOM 55 CD ARG A 5 -4.710 4.514 -1.559 1.00 0.00 C ATOM 56 NE ARG A 5 -4.730 4.523 -0.069 1.00 0.00 N ATOM 57 CZ ARG A 5 -5.769 4.067 0.577 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.971 4.412 0.205 1.00 0.00 N ATOM 59 NH2 ARG A 5 -5.605 3.267 1.595 1.00 0.00 N ATOM 60 H ARG A 5 -0.954 3.449 -1.762 1.00 0.00 H ATOM 61 HA ARG A 5 -2.641 2.622 0.436 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.893 1.982 -2.519 1.00 0.00 H ATOM 63 HB3 ARG A 5 -4.200 2.138 -1.345 1.00 0.00 H ATOM 64 HG2 ARG A 5 -2.572 4.528 -1.345 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.137 4.175 -2.979 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.857 5.512 -1.946 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.468 3.845 -1.935 1.00 0.00 H ATOM 68 HE ARG A 5 -3.962 4.876 0.428 1.00 0.00 H ATOM 69 HH11 ARG A 5 -7.097 5.027 -0.573 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.767 4.065 0.702 1.00 0.00 H ATOM 71 HH21 ARG A 5 -4.684 3.004 1.882 1.00 0.00 H ATOM 72 HH22 ARG A 5 -6.401 2.918 2.090 1.00 0.00 H ATOM 73 N GLN A 6 -1.187 0.256 -1.367 1.00 0.00 N ATOM 74 CA GLN A 6 -0.823 -1.188 -1.326 1.00 0.00 C ATOM 75 C GLN A 6 0.234 -1.438 -0.242 1.00 0.00 C ATOM 76 O GLN A 6 0.226 -2.458 0.413 1.00 0.00 O ATOM 77 CB GLN A 6 -0.292 -1.511 -2.735 1.00 0.00 C ATOM 78 CG GLN A 6 1.231 -1.352 -2.793 1.00 0.00 C ATOM 79 CD GLN A 6 1.892 -2.620 -2.252 1.00 0.00 C ATOM 80 OE1 GLN A 6 2.788 -2.552 -1.435 1.00 0.00 O ATOM 81 NE2 GLN A 6 1.484 -3.786 -2.678 1.00 0.00 N ATOM 82 H GLN A 6 -0.897 0.816 -2.119 1.00 0.00 H ATOM 83 HA GLN A 6 -1.701 -1.783 -1.126 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.552 -2.527 -2.988 1.00 0.00 H ATOM 85 HB3 GLN A 6 -0.748 -0.840 -3.450 1.00 0.00 H ATOM 86 HG2 GLN A 6 1.537 -1.191 -3.817 1.00 0.00 H ATOM 87 HG3 GLN A 6 1.529 -0.507 -2.192 1.00 0.00 H ATOM 88 HE21 GLN A 6 0.760 -3.840 -3.337 1.00 0.00 H ATOM 89 HE22 GLN A 6 1.901 -4.605 -2.339 1.00 0.00 H ATOM 90 N LEU A 7 1.134 -0.512 -0.040 1.00 0.00 N ATOM 91 CA LEU A 7 2.174 -0.711 1.014 1.00 0.00 C ATOM 92 C LEU A 7 1.507 -0.724 2.389 1.00 0.00 C ATOM 93 O LEU A 7 1.678 -1.643 3.167 1.00 0.00 O ATOM 94 CB LEU A 7 3.125 0.483 0.881 1.00 0.00 C ATOM 95 CG LEU A 7 4.178 0.449 1.998 1.00 0.00 C ATOM 96 CD1 LEU A 7 3.558 0.947 3.305 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.688 -0.983 2.190 1.00 0.00 C ATOM 98 H LEU A 7 1.124 0.313 -0.571 1.00 0.00 H ATOM 99 HA LEU A 7 2.708 -1.632 0.847 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.620 0.441 -0.079 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.561 1.402 0.952 1.00 0.00 H ATOM 102 HG LEU A 7 5.004 1.091 1.728 1.00 0.00 H ATOM 103 HD11 LEU A 7 2.680 1.535 3.085 1.00 0.00 H ATOM 104 HD12 LEU A 7 4.276 1.556 3.835 1.00 0.00 H ATOM 105 HD13 LEU A 7 3.281 0.101 3.917 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.095 -1.349 1.259 1.00 0.00 H ATOM 107 HD22 LEU A 7 3.871 -1.618 2.500 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.458 -0.992 2.947 1.00 0.00 H ATOM 109 N GLU A 8 0.734 0.282 2.688 1.00 0.00 N ATOM 110 CA GLU A 8 0.045 0.315 4.003 1.00 0.00 C ATOM 111 C GLU A 8 -0.992 -0.806 4.047 1.00 0.00 C ATOM 112 O GLU A 8 -1.390 -1.261 5.102 1.00 0.00 O ATOM 113 CB GLU A 8 -0.625 1.688 4.071 1.00 0.00 C ATOM 114 CG GLU A 8 0.136 2.577 5.057 1.00 0.00 C ATOM 115 CD GLU A 8 0.280 3.983 4.470 1.00 0.00 C ATOM 116 OE1 GLU A 8 -0.196 4.195 3.367 1.00 0.00 O ATOM 117 OE2 GLU A 8 0.864 4.823 5.135 1.00 0.00 O ATOM 118 H GLU A 8 0.598 1.005 2.042 1.00 0.00 H ATOM 119 HA GLU A 8 0.755 0.206 4.805 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.614 2.143 3.091 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.647 1.577 4.404 1.00 0.00 H ATOM 122 HG2 GLU A 8 -0.408 2.628 5.988 1.00 0.00 H ATOM 123 HG3 GLU A 8 1.116 2.160 5.233 1.00 0.00 H ATOM 124 N GLU A 9 -1.419 -1.265 2.901 1.00 0.00 N ATOM 125 CA GLU A 9 -2.416 -2.370 2.869 1.00 0.00 C ATOM 126 C GLU A 9 -1.693 -3.712 2.974 1.00 0.00 C ATOM 127 O GLU A 9 -2.267 -4.716 3.348 1.00 0.00 O ATOM 128 CB GLU A 9 -3.119 -2.236 1.517 1.00 0.00 C ATOM 129 CG GLU A 9 -4.028 -3.446 1.292 1.00 0.00 C ATOM 130 CD GLU A 9 -3.583 -4.191 0.033 1.00 0.00 C ATOM 131 OE1 GLU A 9 -2.495 -4.740 0.048 1.00 0.00 O ATOM 132 OE2 GLU A 9 -4.340 -4.200 -0.925 1.00 0.00 O ATOM 133 H GLU A 9 -1.073 -0.888 2.061 1.00 0.00 H ATOM 134 HA GLU A 9 -3.127 -2.260 3.672 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.712 -1.333 1.507 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.382 -2.193 0.729 1.00 0.00 H ATOM 137 HG2 GLU A 9 -3.964 -4.107 2.144 1.00 0.00 H ATOM 138 HG3 GLU A 9 -5.048 -3.111 1.171 1.00 0.00 H ATOM 139 N PHE A 10 -0.428 -3.732 2.657 1.00 0.00 N ATOM 140 CA PHE A 10 0.346 -5.000 2.747 1.00 0.00 C ATOM 141 C PHE A 10 1.065 -5.060 4.094 1.00 0.00 C ATOM 142 O PHE A 10 1.541 -6.096 4.514 1.00 0.00 O ATOM 143 CB PHE A 10 1.358 -4.934 1.600 1.00 0.00 C ATOM 144 CG PHE A 10 1.684 -6.330 1.125 1.00 0.00 C ATOM 145 CD1 PHE A 10 2.379 -7.212 1.962 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.293 -6.741 -0.154 1.00 0.00 C ATOM 147 CE1 PHE A 10 2.683 -8.504 1.519 1.00 0.00 C ATOM 148 CE2 PHE A 10 1.597 -8.034 -0.598 1.00 0.00 C ATOM 149 CZ PHE A 10 2.292 -8.915 0.239 1.00 0.00 C ATOM 150 H PHE A 10 0.016 -2.907 2.368 1.00 0.00 H ATOM 151 HA PHE A 10 -0.303 -5.853 2.623 1.00 0.00 H ATOM 152 HB2 PHE A 10 0.939 -4.369 0.782 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.262 -4.453 1.943 1.00 0.00 H ATOM 154 HD1 PHE A 10 2.681 -6.894 2.949 1.00 0.00 H ATOM 155 HD2 PHE A 10 0.757 -6.061 -0.800 1.00 0.00 H ATOM 156 HE1 PHE A 10 3.219 -9.183 2.164 1.00 0.00 H ATOM 157 HE2 PHE A 10 1.296 -8.351 -1.584 1.00 0.00 H ATOM 158 HZ PHE A 10 2.527 -9.912 -0.102 1.00 0.00 H ATOM 159 N LEU A 11 1.147 -3.949 4.775 1.00 0.00 N ATOM 160 CA LEU A 11 1.838 -3.937 6.096 1.00 0.00 C ATOM 161 C LEU A 11 1.361 -2.748 6.940 1.00 0.00 C ATOM 162 O LEU A 11 0.777 -2.924 7.990 1.00 0.00 O ATOM 163 CB LEU A 11 3.324 -3.803 5.757 1.00 0.00 C ATOM 164 CG LEU A 11 4.167 -4.346 6.912 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.978 -3.457 8.143 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.722 -5.773 7.240 1.00 0.00 C ATOM 167 H LEU A 11 0.755 -3.123 4.416 1.00 0.00 H ATOM 168 HA LEU A 11 1.662 -4.862 6.619 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.538 -4.367 4.860 1.00 0.00 H ATOM 170 HB3 LEU A 11 3.564 -2.763 5.594 1.00 0.00 H ATOM 171 HG LEU A 11 5.209 -4.347 6.626 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.673 -3.756 8.913 1.00 0.00 H ATOM 173 HD12 LEU A 11 2.967 -3.562 8.512 1.00 0.00 H ATOM 174 HD13 LEU A 11 4.157 -2.426 7.876 1.00 0.00 H ATOM 175 HD21 LEU A 11 3.441 -6.282 6.329 1.00 0.00 H ATOM 176 HD22 LEU A 11 2.877 -5.743 7.911 1.00 0.00 H ATOM 177 HD23 LEU A 11 4.537 -6.304 7.712 1.00 0.00 H HETATM 178 N NH2 A 12 1.587 -1.532 6.522 1.00 0.00 N HETATM 179 HN1 NH2 A 12 2.058 -1.383 5.676 1.00 0.00 H HETATM 180 HN2 NH2 A 12 1.286 -0.767 7.056 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 72 HETATM 1 C ACE A 1 -0.815 5.709 -3.657 1.00 0.00 C HETATM 2 O ACE A 1 -1.434 5.009 -2.878 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.352 7.113 -3.265 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.940 7.848 -3.794 1.00 0.00 H HETATM 5 H2 ACE A 1 0.691 7.232 -3.522 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.476 7.248 -2.200 1.00 0.00 H ATOM 7 N LEU A 2 -0.513 5.283 -4.854 1.00 0.00 N ATOM 8 CA LEU A 2 -0.929 3.920 -5.282 1.00 0.00 C ATOM 9 C LEU A 2 -0.023 2.894 -4.612 1.00 0.00 C ATOM 10 O LEU A 2 -0.478 1.945 -4.004 1.00 0.00 O ATOM 11 CB LEU A 2 -0.744 3.903 -6.800 1.00 0.00 C ATOM 12 CG LEU A 2 -1.718 2.906 -7.435 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.137 3.169 -6.923 1.00 0.00 C ATOM 14 CD2 LEU A 2 -1.691 3.072 -8.955 1.00 0.00 C ATOM 15 H LEU A 2 -0.003 5.854 -5.465 1.00 0.00 H ATOM 16 HA LEU A 2 -1.959 3.742 -5.024 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.930 4.890 -7.196 1.00 0.00 H ATOM 18 HB3 LEU A 2 0.268 3.608 -7.034 1.00 0.00 H ATOM 19 HG LEU A 2 -1.424 1.899 -7.176 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.223 4.201 -6.613 1.00 0.00 H ATOM 21 HD12 LEU A 2 -3.342 2.523 -6.082 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.848 2.970 -7.711 1.00 0.00 H ATOM 23 HD21 LEU A 2 -0.749 2.710 -9.340 1.00 0.00 H ATOM 24 HD22 LEU A 2 -1.803 4.118 -9.205 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.500 2.509 -9.395 1.00 0.00 H ATOM 26 N VAL A 3 1.262 3.096 -4.696 1.00 0.00 N ATOM 27 CA VAL A 3 2.200 2.151 -4.037 1.00 0.00 C ATOM 28 C VAL A 3 2.093 2.342 -2.526 1.00 0.00 C ATOM 29 O VAL A 3 2.408 1.464 -1.747 1.00 0.00 O ATOM 30 CB VAL A 3 3.589 2.543 -4.545 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.684 2.251 -6.045 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.818 4.037 -4.302 1.00 0.00 C ATOM 33 H VAL A 3 1.603 3.882 -5.172 1.00 0.00 H ATOM 34 HA VAL A 3 1.973 1.132 -4.311 1.00 0.00 H ATOM 35 HB VAL A 3 4.340 1.971 -4.019 1.00 0.00 H ATOM 36 HG11 VAL A 3 3.306 3.095 -6.601 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.099 1.373 -6.278 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.716 2.077 -6.313 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.046 4.523 -5.240 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.645 4.168 -3.620 1.00 0.00 H ATOM 41 HG23 VAL A 3 2.927 4.473 -3.877 1.00 0.00 H ATOM 42 N GLY A 4 1.619 3.489 -2.113 1.00 0.00 N ATOM 43 CA GLY A 4 1.454 3.751 -0.658 1.00 0.00 C ATOM 44 C GLY A 4 0.256 2.950 -0.162 1.00 0.00 C ATOM 45 O GLY A 4 0.293 2.341 0.887 1.00 0.00 O ATOM 46 H GLY A 4 1.353 4.171 -2.765 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.347 3.443 -0.130 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.277 4.802 -0.494 1.00 0.00 H ATOM 49 N ARG A 5 -0.805 2.934 -0.920 1.00 0.00 N ATOM 50 CA ARG A 5 -2.002 2.155 -0.506 1.00 0.00 C ATOM 51 C ARG A 5 -1.662 0.663 -0.520 1.00 0.00 C ATOM 52 O ARG A 5 -2.044 -0.081 0.363 1.00 0.00 O ATOM 53 CB ARG A 5 -3.070 2.479 -1.550 1.00 0.00 C ATOM 54 CG ARG A 5 -3.921 3.655 -1.064 1.00 0.00 C ATOM 55 CD ARG A 5 -4.503 3.328 0.314 1.00 0.00 C ATOM 56 NE ARG A 5 -5.972 3.516 0.163 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.473 4.719 0.108 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.126 5.611 0.994 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.319 5.030 -0.834 1.00 0.00 N ATOM 60 H ARG A 5 -0.809 3.425 -1.770 1.00 0.00 H ATOM 61 HA ARG A 5 -2.333 2.460 0.474 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.592 2.742 -2.483 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.704 1.618 -1.700 1.00 0.00 H ATOM 64 HG2 ARG A 5 -3.305 4.540 -0.994 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.727 3.830 -1.760 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.277 2.305 0.583 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.116 4.009 1.057 1.00 0.00 H ATOM 68 HE ARG A 5 -6.562 2.736 0.105 1.00 0.00 H ATOM 69 HH11 ARG A 5 -5.475 5.373 1.715 1.00 0.00 H ATOM 70 HH12 ARG A 5 -6.511 6.533 0.953 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.585 4.345 -1.513 1.00 0.00 H ATOM 72 HH22 ARG A 5 -7.703 5.952 -0.877 1.00 0.00 H ATOM 73 N GLN A 6 -0.932 0.222 -1.512 1.00 0.00 N ATOM 74 CA GLN A 6 -0.553 -1.220 -1.570 1.00 0.00 C ATOM 75 C GLN A 6 0.323 -1.565 -0.364 1.00 0.00 C ATOM 76 O GLN A 6 -0.017 -2.412 0.440 1.00 0.00 O ATOM 77 CB GLN A 6 0.235 -1.380 -2.872 1.00 0.00 C ATOM 78 CG GLN A 6 -0.305 -2.583 -3.651 1.00 0.00 C ATOM 79 CD GLN A 6 0.855 -3.491 -4.065 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.984 -3.841 -5.222 1.00 0.00 O ATOM 81 NE2 GLN A 6 1.710 -3.891 -3.164 1.00 0.00 N ATOM 82 H GLN A 6 -0.625 0.841 -2.208 1.00 0.00 H ATOM 83 HA GLN A 6 -1.434 -1.841 -1.591 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.132 -0.486 -3.470 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.278 -1.544 -2.643 1.00 0.00 H ATOM 86 HG2 GLN A 6 -0.990 -3.137 -3.026 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.822 -2.237 -4.534 1.00 0.00 H ATOM 88 HE21 GLN A 6 1.607 -3.609 -2.232 1.00 0.00 H ATOM 89 HE22 GLN A 6 2.455 -4.474 -3.421 1.00 0.00 H ATOM 90 N LEU A 7 1.444 -0.906 -0.223 1.00 0.00 N ATOM 91 CA LEU A 7 2.329 -1.191 0.942 1.00 0.00 C ATOM 92 C LEU A 7 1.539 -1.006 2.236 1.00 0.00 C ATOM 93 O LEU A 7 1.609 -1.813 3.140 1.00 0.00 O ATOM 94 CB LEU A 7 3.458 -0.163 0.849 1.00 0.00 C ATOM 95 CG LEU A 7 4.777 -0.879 0.561 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.847 -1.236 -0.925 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.944 0.043 0.923 1.00 0.00 C ATOM 98 H LEU A 7 1.696 -0.219 -0.876 1.00 0.00 H ATOM 99 HA LEU A 7 2.729 -2.191 0.878 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.245 0.535 0.052 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.537 0.370 1.784 1.00 0.00 H ATOM 102 HG LEU A 7 4.832 -1.783 1.152 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.879 -1.364 -1.217 1.00 0.00 H ATOM 104 HD12 LEU A 7 4.404 -0.442 -1.507 1.00 0.00 H ATOM 105 HD13 LEU A 7 4.307 -2.155 -1.099 1.00 0.00 H ATOM 106 HD21 LEU A 7 6.704 -0.022 0.159 1.00 0.00 H ATOM 107 HD22 LEU A 7 6.361 -0.261 1.873 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.590 1.060 0.995 1.00 0.00 H ATOM 109 N GLU A 8 0.771 0.045 2.319 1.00 0.00 N ATOM 110 CA GLU A 8 -0.044 0.274 3.542 1.00 0.00 C ATOM 111 C GLU A 8 -1.062 -0.853 3.669 1.00 0.00 C ATOM 112 O GLU A 8 -1.499 -1.202 4.747 1.00 0.00 O ATOM 113 CB GLU A 8 -0.744 1.615 3.314 1.00 0.00 C ATOM 114 CG GLU A 8 -1.630 1.942 4.516 1.00 0.00 C ATOM 115 CD GLU A 8 -0.767 2.042 5.776 1.00 0.00 C ATOM 116 OE1 GLU A 8 -0.116 3.060 5.946 1.00 0.00 O ATOM 117 OE2 GLU A 8 -0.772 1.098 6.550 1.00 0.00 O ATOM 118 H GLU A 8 0.717 0.671 1.571 1.00 0.00 H ATOM 119 HA GLU A 8 0.584 0.321 4.416 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.002 2.392 3.189 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.354 1.556 2.425 1.00 0.00 H ATOM 122 HG2 GLU A 8 -2.132 2.884 4.348 1.00 0.00 H ATOM 123 HG3 GLU A 8 -2.363 1.160 4.646 1.00 0.00 H ATOM 124 N GLU A 9 -1.427 -1.437 2.562 1.00 0.00 N ATOM 125 CA GLU A 9 -2.400 -2.560 2.593 1.00 0.00 C ATOM 126 C GLU A 9 -1.684 -3.832 3.049 1.00 0.00 C ATOM 127 O GLU A 9 -2.285 -4.741 3.586 1.00 0.00 O ATOM 128 CB GLU A 9 -2.886 -2.699 1.151 1.00 0.00 C ATOM 129 CG GLU A 9 -4.269 -2.063 1.012 1.00 0.00 C ATOM 130 CD GLU A 9 -5.299 -3.147 0.690 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.168 -4.237 1.222 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.200 -2.869 -0.085 1.00 0.00 O ATOM 133 H GLU A 9 -1.047 -1.142 1.708 1.00 0.00 H ATOM 134 HA GLU A 9 -3.227 -2.332 3.247 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.192 -2.201 0.489 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.944 -3.745 0.889 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.536 -1.575 1.939 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.253 -1.336 0.214 1.00 0.00 H ATOM 139 N PHE A 10 -0.396 -3.890 2.847 1.00 0.00 N ATOM 140 CA PHE A 10 0.378 -5.088 3.275 1.00 0.00 C ATOM 141 C PHE A 10 0.998 -4.831 4.650 1.00 0.00 C ATOM 142 O PHE A 10 1.518 -5.725 5.287 1.00 0.00 O ATOM 143 CB PHE A 10 1.472 -5.258 2.219 1.00 0.00 C ATOM 144 CG PHE A 10 1.070 -6.331 1.236 1.00 0.00 C ATOM 145 CD1 PHE A 10 0.520 -7.532 1.697 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.248 -6.123 -0.137 1.00 0.00 C ATOM 147 CE1 PHE A 10 0.147 -8.527 0.785 1.00 0.00 C ATOM 148 CE2 PHE A 10 0.874 -7.118 -1.049 1.00 0.00 C ATOM 149 CZ PHE A 10 0.324 -8.320 -0.587 1.00 0.00 C ATOM 150 H PHE A 10 0.066 -3.136 2.421 1.00 0.00 H ATOM 151 HA PHE A 10 -0.255 -5.961 3.300 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.614 -4.325 1.695 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.395 -5.543 2.702 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.384 -7.691 2.756 1.00 0.00 H ATOM 155 HD2 PHE A 10 1.672 -5.197 -0.493 1.00 0.00 H ATOM 156 HE1 PHE A 10 -0.278 -9.454 1.141 1.00 0.00 H ATOM 157 HE2 PHE A 10 1.012 -6.959 -2.108 1.00 0.00 H ATOM 158 HZ PHE A 10 0.035 -9.086 -1.291 1.00 0.00 H ATOM 159 N LEU A 11 0.946 -3.609 5.109 1.00 0.00 N ATOM 160 CA LEU A 11 1.531 -3.283 6.441 1.00 0.00 C ATOM 161 C LEU A 11 0.537 -3.632 7.551 1.00 0.00 C ATOM 162 O LEU A 11 0.802 -4.479 8.381 1.00 0.00 O ATOM 163 CB LEU A 11 1.784 -1.775 6.399 1.00 0.00 C ATOM 164 CG LEU A 11 3.063 -1.446 7.172 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.277 -1.975 6.404 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.185 0.071 7.332 1.00 0.00 C ATOM 167 H LEU A 11 0.522 -2.905 4.576 1.00 0.00 H ATOM 168 HA LEU A 11 2.461 -3.810 6.585 1.00 0.00 H ATOM 169 HB2 LEU A 11 1.891 -1.456 5.372 1.00 0.00 H ATOM 170 HB3 LEU A 11 0.950 -1.257 6.851 1.00 0.00 H ATOM 171 HG LEU A 11 3.023 -1.911 8.147 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.973 -2.795 5.772 1.00 0.00 H ATOM 173 HD12 LEU A 11 5.023 -2.319 7.105 1.00 0.00 H ATOM 174 HD13 LEU A 11 4.691 -1.185 5.796 1.00 0.00 H ATOM 175 HD21 LEU A 11 2.231 0.479 7.631 1.00 0.00 H ATOM 176 HD22 LEU A 11 3.484 0.508 6.390 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.925 0.295 8.084 1.00 0.00 H HETATM 178 N NH2 A 12 -0.608 -3.007 7.603 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.824 -2.323 6.935 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -1.252 -3.223 8.309 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 73 HETATM 1 C ACE A 1 -0.757 5.503 -4.084 1.00 0.00 C HETATM 2 O ACE A 1 -1.114 4.983 -3.045 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.357 6.977 -4.138 1.00 0.00 C HETATM 4 H1 ACE A 1 0.717 7.062 -4.063 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.818 7.505 -3.318 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.689 7.404 -5.073 1.00 0.00 H ATOM 7 N LEU A 2 -0.691 4.820 -5.194 1.00 0.00 N ATOM 8 CA LEU A 2 -1.060 3.378 -5.199 1.00 0.00 C ATOM 9 C LEU A 2 -0.022 2.598 -4.404 1.00 0.00 C ATOM 10 O LEU A 2 -0.337 1.675 -3.683 1.00 0.00 O ATOM 11 CB LEU A 2 -1.049 2.966 -6.678 1.00 0.00 C ATOM 12 CG LEU A 2 -0.943 1.439 -6.811 1.00 0.00 C ATOM 13 CD1 LEU A 2 0.514 1.010 -6.640 1.00 0.00 C ATOM 14 CD2 LEU A 2 -1.806 0.754 -5.745 1.00 0.00 C ATOM 15 H LEU A 2 -0.391 5.253 -6.020 1.00 0.00 H ATOM 16 HA LEU A 2 -2.043 3.240 -4.779 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.960 3.303 -7.150 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.203 3.424 -7.169 1.00 0.00 H ATOM 19 HG LEU A 2 -1.286 1.144 -7.793 1.00 0.00 H ATOM 20 HD11 LEU A 2 1.159 1.867 -6.761 1.00 0.00 H ATOM 21 HD12 LEU A 2 0.760 0.267 -7.385 1.00 0.00 H ATOM 22 HD13 LEU A 2 0.653 0.592 -5.655 1.00 0.00 H ATOM 23 HD21 LEU A 2 -2.408 -0.013 -6.208 1.00 0.00 H ATOM 24 HD22 LEU A 2 -2.448 1.484 -5.277 1.00 0.00 H ATOM 25 HD23 LEU A 2 -1.167 0.306 -4.999 1.00 0.00 H ATOM 26 N VAL A 3 1.216 2.976 -4.520 1.00 0.00 N ATOM 27 CA VAL A 3 2.279 2.269 -3.761 1.00 0.00 C ATOM 28 C VAL A 3 2.136 2.584 -2.272 1.00 0.00 C ATOM 29 O VAL A 3 2.530 1.809 -1.420 1.00 0.00 O ATOM 30 CB VAL A 3 3.592 2.821 -4.314 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.747 1.917 -3.880 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.520 2.858 -5.842 1.00 0.00 C ATOM 33 H VAL A 3 1.445 3.734 -5.100 1.00 0.00 H ATOM 34 HA VAL A 3 2.222 1.205 -3.931 1.00 0.00 H ATOM 35 HB VAL A 3 3.752 3.819 -3.932 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.446 2.486 -3.286 1.00 0.00 H ATOM 37 HG12 VAL A 3 5.247 1.529 -4.755 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.360 1.097 -3.293 1.00 0.00 H ATOM 39 HG21 VAL A 3 2.943 2.015 -6.195 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.518 2.809 -6.251 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.045 3.775 -6.158 1.00 0.00 H ATOM 42 N GLY A 4 1.555 3.711 -1.954 1.00 0.00 N ATOM 43 CA GLY A 4 1.364 4.073 -0.523 1.00 0.00 C ATOM 44 C GLY A 4 0.234 3.218 0.034 1.00 0.00 C ATOM 45 O GLY A 4 0.369 2.573 1.056 1.00 0.00 O ATOM 46 H GLY A 4 1.228 4.310 -2.659 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.276 3.882 0.025 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.099 5.116 -0.442 1.00 0.00 H ATOM 49 N ARG A 5 -0.874 3.186 -0.650 1.00 0.00 N ATOM 50 CA ARG A 5 -2.008 2.347 -0.183 1.00 0.00 C ATOM 51 C ARG A 5 -1.616 0.876 -0.326 1.00 0.00 C ATOM 52 O ARG A 5 -2.060 0.022 0.415 1.00 0.00 O ATOM 53 CB ARG A 5 -3.171 2.695 -1.112 1.00 0.00 C ATOM 54 CG ARG A 5 -4.032 3.782 -0.467 1.00 0.00 C ATOM 55 CD ARG A 5 -3.733 5.129 -1.131 1.00 0.00 C ATOM 56 NE ARG A 5 -4.616 6.102 -0.434 1.00 0.00 N ATOM 57 CZ ARG A 5 -4.502 7.378 -0.678 1.00 0.00 C ATOM 58 NH1 ARG A 5 -4.591 7.819 -1.904 1.00 0.00 N ATOM 59 NH2 ARG A 5 -4.298 8.212 0.303 1.00 0.00 N ATOM 60 H ARG A 5 -0.950 3.699 -1.485 1.00 0.00 H ATOM 61 HA ARG A 5 -2.259 2.580 0.840 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.782 3.054 -2.054 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.773 1.815 -1.281 1.00 0.00 H ATOM 64 HG2 ARG A 5 -5.077 3.538 -0.598 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.806 3.843 0.586 1.00 0.00 H ATOM 66 HD2 ARG A 5 -2.695 5.392 -0.989 1.00 0.00 H ATOM 67 HD3 ARG A 5 -3.975 5.095 -2.181 1.00 0.00 H ATOM 68 HE ARG A 5 -5.285 5.785 0.210 1.00 0.00 H ATOM 69 HH11 ARG A 5 -4.748 7.178 -2.655 1.00 0.00 H ATOM 70 HH12 ARG A 5 -4.502 8.797 -2.090 1.00 0.00 H ATOM 71 HH21 ARG A 5 -4.231 7.872 1.240 1.00 0.00 H ATOM 72 HH22 ARG A 5 -4.210 9.190 0.117 1.00 0.00 H ATOM 73 N GLN A 6 -0.768 0.585 -1.274 1.00 0.00 N ATOM 74 CA GLN A 6 -0.315 -0.819 -1.479 1.00 0.00 C ATOM 75 C GLN A 6 0.471 -1.276 -0.250 1.00 0.00 C ATOM 76 O GLN A 6 0.065 -2.174 0.462 1.00 0.00 O ATOM 77 CB GLN A 6 0.578 -0.751 -2.728 1.00 0.00 C ATOM 78 CG GLN A 6 1.593 -1.907 -2.751 1.00 0.00 C ATOM 79 CD GLN A 6 1.139 -2.968 -3.755 1.00 0.00 C ATOM 80 OE1 GLN A 6 1.574 -2.974 -4.888 1.00 0.00 O ATOM 81 NE2 GLN A 6 0.276 -3.874 -3.382 1.00 0.00 N ATOM 82 H GLN A 6 -0.417 1.297 -1.849 1.00 0.00 H ATOM 83 HA GLN A 6 -1.158 -1.468 -1.656 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.043 -0.809 -3.609 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.109 0.188 -2.731 1.00 0.00 H ATOM 86 HG2 GLN A 6 2.559 -1.526 -3.049 1.00 0.00 H ATOM 87 HG3 GLN A 6 1.674 -2.353 -1.776 1.00 0.00 H ATOM 88 HE21 GLN A 6 -0.075 -3.869 -2.467 1.00 0.00 H ATOM 89 HE22 GLN A 6 -0.015 -4.563 -4.015 1.00 0.00 H ATOM 90 N LEU A 7 1.592 -0.660 0.005 1.00 0.00 N ATOM 91 CA LEU A 7 2.404 -1.057 1.190 1.00 0.00 C ATOM 92 C LEU A 7 1.580 -0.894 2.468 1.00 0.00 C ATOM 93 O LEU A 7 1.667 -1.692 3.381 1.00 0.00 O ATOM 94 CB LEU A 7 3.593 -0.098 1.193 1.00 0.00 C ATOM 95 CG LEU A 7 4.897 -0.897 1.175 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.916 -0.186 0.284 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.450 -1.000 2.597 1.00 0.00 C ATOM 98 H LEU A 7 1.900 0.064 -0.581 1.00 0.00 H ATOM 99 HA LEU A 7 2.748 -2.073 1.088 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.546 0.535 0.319 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.561 0.513 2.083 1.00 0.00 H ATOM 102 HG LEU A 7 4.708 -1.887 0.786 1.00 0.00 H ATOM 103 HD11 LEU A 7 6.102 0.806 0.669 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.529 -0.115 -0.721 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.839 -0.747 0.276 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.043 -1.875 3.080 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.174 -0.119 3.157 1.00 0.00 H ATOM 108 HD23 LEU A 7 6.528 -1.079 2.559 1.00 0.00 H ATOM 109 N GLU A 8 0.775 0.132 2.540 1.00 0.00 N ATOM 110 CA GLU A 8 -0.056 0.339 3.758 1.00 0.00 C ATOM 111 C GLU A 8 -1.122 -0.752 3.842 1.00 0.00 C ATOM 112 O GLU A 8 -1.614 -1.076 4.904 1.00 0.00 O ATOM 113 CB GLU A 8 -0.697 1.718 3.580 1.00 0.00 C ATOM 114 CG GLU A 8 0.291 2.800 4.025 1.00 0.00 C ATOM 115 CD GLU A 8 -0.421 4.153 4.090 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.640 4.157 4.136 1.00 0.00 O ATOM 117 OE2 GLU A 8 0.266 5.162 4.094 1.00 0.00 O ATOM 118 H GLU A 8 0.714 0.760 1.792 1.00 0.00 H ATOM 119 HA GLU A 8 0.562 0.328 4.641 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.951 1.865 2.539 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.592 1.780 4.181 1.00 0.00 H ATOM 122 HG2 GLU A 8 0.680 2.552 5.001 1.00 0.00 H ATOM 123 HG3 GLU A 8 1.104 2.859 3.317 1.00 0.00 H ATOM 124 N GLU A 9 -1.467 -1.335 2.728 1.00 0.00 N ATOM 125 CA GLU A 9 -2.485 -2.422 2.743 1.00 0.00 C ATOM 126 C GLU A 9 -1.784 -3.770 2.909 1.00 0.00 C ATOM 127 O GLU A 9 -2.392 -4.761 3.256 1.00 0.00 O ATOM 128 CB GLU A 9 -3.188 -2.338 1.386 1.00 0.00 C ATOM 129 CG GLU A 9 -4.372 -3.310 1.365 1.00 0.00 C ATOM 130 CD GLU A 9 -5.491 -2.737 0.492 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.663 -1.529 0.500 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.159 -3.515 -0.169 1.00 0.00 O ATOM 133 H GLU A 9 -1.044 -1.066 1.885 1.00 0.00 H ATOM 134 HA GLU A 9 -3.192 -2.264 3.540 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.546 -1.330 1.228 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.494 -2.602 0.603 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.052 -4.260 0.962 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.740 -3.450 2.369 1.00 0.00 H ATOM 139 N PHE A 10 -0.500 -3.806 2.675 1.00 0.00 N ATOM 140 CA PHE A 10 0.252 -5.082 2.831 1.00 0.00 C ATOM 141 C PHE A 10 0.900 -5.128 4.215 1.00 0.00 C ATOM 142 O PHE A 10 1.318 -6.168 4.683 1.00 0.00 O ATOM 143 CB PHE A 10 1.320 -5.058 1.737 1.00 0.00 C ATOM 144 CG PHE A 10 1.325 -6.381 1.007 1.00 0.00 C ATOM 145 CD1 PHE A 10 0.116 -7.010 0.685 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.540 -6.980 0.652 1.00 0.00 C ATOM 147 CE1 PHE A 10 0.121 -8.236 0.009 1.00 0.00 C ATOM 148 CE2 PHE A 10 2.545 -8.206 -0.024 1.00 0.00 C ATOM 149 CZ PHE A 10 1.336 -8.834 -0.346 1.00 0.00 C ATOM 150 H PHE A 10 -0.028 -2.988 2.406 1.00 0.00 H ATOM 151 HA PHE A 10 -0.404 -5.927 2.691 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.102 -4.264 1.039 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.289 -4.891 2.182 1.00 0.00 H ATOM 154 HD1 PHE A 10 -0.821 -6.549 0.958 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.474 -6.496 0.900 1.00 0.00 H ATOM 156 HE1 PHE A 10 -0.811 -8.720 -0.240 1.00 0.00 H ATOM 157 HE2 PHE A 10 3.484 -8.668 -0.298 1.00 0.00 H ATOM 158 HZ PHE A 10 1.341 -9.780 -0.867 1.00 0.00 H ATOM 159 N LEU A 11 0.981 -4.004 4.877 1.00 0.00 N ATOM 160 CA LEU A 11 1.596 -3.982 6.236 1.00 0.00 C ATOM 161 C LEU A 11 0.564 -3.523 7.269 1.00 0.00 C ATOM 162 O LEU A 11 -0.117 -2.537 7.075 1.00 0.00 O ATOM 163 CB LEU A 11 2.744 -2.975 6.148 1.00 0.00 C ATOM 164 CG LEU A 11 3.753 -3.254 7.266 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.161 -2.897 6.788 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.403 -2.405 8.490 1.00 0.00 C ATOM 167 H LEU A 11 0.632 -3.176 4.481 1.00 0.00 H ATOM 168 HA LEU A 11 1.978 -4.957 6.492 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.232 -3.068 5.188 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.354 -1.974 6.258 1.00 0.00 H ATOM 171 HG LEU A 11 3.717 -4.301 7.529 1.00 0.00 H ATOM 172 HD11 LEU A 11 5.334 -3.338 5.816 1.00 0.00 H ATOM 173 HD12 LEU A 11 5.887 -3.278 7.491 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.256 -1.825 6.718 1.00 0.00 H ATOM 175 HD21 LEU A 11 2.759 -1.591 8.194 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.309 -2.009 8.923 1.00 0.00 H ATOM 177 HD23 LEU A 11 2.894 -3.018 9.221 1.00 0.00 H HETATM 178 N NH2 A 12 0.418 -4.207 8.371 1.00 0.00 N HETATM 179 HN1 NH2 A 12 0.966 -5.003 8.531 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.241 -3.924 9.039 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 74 HETATM 1 C ACE A 1 -0.529 5.600 -4.180 1.00 0.00 C HETATM 2 O ACE A 1 -0.725 5.177 -3.055 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.034 7.028 -4.415 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.857 7.645 -4.742 1.00 0.00 H HETATM 5 H2 ACE A 1 0.735 7.021 -5.175 1.00 0.00 H HETATM 6 H3 ACE A 1 0.373 7.425 -3.497 1.00 0.00 H ATOM 7 N LEU A 2 -0.726 4.850 -5.229 1.00 0.00 N ATOM 8 CA LEU A 2 -1.201 3.448 -5.056 1.00 0.00 C ATOM 9 C LEU A 2 -0.108 2.619 -4.391 1.00 0.00 C ATOM 10 O LEU A 2 -0.375 1.642 -3.721 1.00 0.00 O ATOM 11 CB LEU A 2 -1.484 2.937 -6.470 1.00 0.00 C ATOM 12 CG LEU A 2 -2.772 2.105 -6.477 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.797 1.175 -5.262 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.983 3.038 -6.426 1.00 0.00 C ATOM 15 H LEU A 2 -0.555 5.203 -6.125 1.00 0.00 H ATOM 16 HA LEU A 2 -2.101 3.429 -4.464 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.597 3.778 -7.140 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.660 2.324 -6.801 1.00 0.00 H ATOM 19 HG LEU A 2 -2.810 1.514 -7.381 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.430 0.325 -5.473 1.00 0.00 H ATOM 21 HD12 LEU A 2 -3.185 1.710 -4.408 1.00 0.00 H ATOM 22 HD13 LEU A 2 -1.795 0.834 -5.049 1.00 0.00 H ATOM 23 HD21 LEU A 2 -4.308 3.152 -5.403 1.00 0.00 H ATOM 24 HD22 LEU A 2 -4.786 2.616 -7.013 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.711 4.003 -6.829 1.00 0.00 H ATOM 26 N VAL A 3 1.121 3.015 -4.556 1.00 0.00 N ATOM 27 CA VAL A 3 2.233 2.264 -3.914 1.00 0.00 C ATOM 28 C VAL A 3 2.170 2.484 -2.405 1.00 0.00 C ATOM 29 O VAL A 3 2.496 1.615 -1.617 1.00 0.00 O ATOM 30 CB VAL A 3 3.509 2.869 -4.499 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.700 1.969 -4.171 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.364 2.987 -6.018 1.00 0.00 C ATOM 33 H VAL A 3 1.311 3.816 -5.090 1.00 0.00 H ATOM 34 HA VAL A 3 2.171 1.213 -4.152 1.00 0.00 H ATOM 35 HB VAL A 3 3.670 3.848 -4.073 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.858 1.957 -3.103 1.00 0.00 H ATOM 37 HG12 VAL A 3 5.583 2.349 -4.662 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.499 0.966 -4.516 1.00 0.00 H ATOM 39 HG21 VAL A 3 2.471 2.469 -6.335 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.225 2.547 -6.497 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.292 4.029 -6.293 1.00 0.00 H ATOM 42 N GLY A 4 1.723 3.642 -1.997 1.00 0.00 N ATOM 43 CA GLY A 4 1.608 3.927 -0.542 1.00 0.00 C ATOM 44 C GLY A 4 0.395 3.177 -0.009 1.00 0.00 C ATOM 45 O GLY A 4 0.467 2.475 0.981 1.00 0.00 O ATOM 46 H GLY A 4 1.444 4.316 -2.653 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.502 3.592 -0.033 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.473 4.986 -0.387 1.00 0.00 H ATOM 49 N ARG A 5 -0.718 3.303 -0.676 1.00 0.00 N ATOM 50 CA ARG A 5 -1.936 2.576 -0.228 1.00 0.00 C ATOM 51 C ARG A 5 -1.647 1.072 -0.224 1.00 0.00 C ATOM 52 O ARG A 5 -2.057 0.349 0.663 1.00 0.00 O ATOM 53 CB ARG A 5 -3.006 2.919 -1.264 1.00 0.00 C ATOM 54 CG ARG A 5 -4.383 2.529 -0.726 1.00 0.00 C ATOM 55 CD ARG A 5 -5.464 3.304 -1.483 1.00 0.00 C ATOM 56 NE ARG A 5 -6.650 2.405 -1.482 1.00 0.00 N ATOM 57 CZ ARG A 5 -7.844 2.903 -1.653 1.00 0.00 C ATOM 58 NH1 ARG A 5 -8.008 3.966 -2.391 1.00 0.00 N ATOM 59 NH2 ARG A 5 -8.873 2.340 -1.083 1.00 0.00 N ATOM 60 H ARG A 5 -0.747 3.862 -1.485 1.00 0.00 H ATOM 61 HA ARG A 5 -2.241 2.909 0.752 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.985 3.981 -1.463 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.812 2.378 -2.176 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.535 1.469 -0.863 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.440 2.769 0.324 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.689 4.229 -0.972 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.148 3.498 -2.495 1.00 0.00 H ATOM 68 HE ARG A 5 -6.535 1.440 -1.353 1.00 0.00 H ATOM 69 HH11 ARG A 5 -7.218 4.398 -2.827 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.923 4.346 -2.522 1.00 0.00 H ATOM 71 HH21 ARG A 5 -8.746 1.526 -0.515 1.00 0.00 H ATOM 72 HH22 ARG A 5 -9.788 2.722 -1.212 1.00 0.00 H ATOM 73 N GLN A 6 -0.925 0.602 -1.207 1.00 0.00 N ATOM 74 CA GLN A 6 -0.587 -0.847 -1.261 1.00 0.00 C ATOM 75 C GLN A 6 0.263 -1.215 -0.044 1.00 0.00 C ATOM 76 O GLN A 6 -0.029 -2.156 0.667 1.00 0.00 O ATOM 77 CB GLN A 6 0.211 -1.028 -2.553 1.00 0.00 C ATOM 78 CG GLN A 6 -0.747 -1.063 -3.746 1.00 0.00 C ATOM 79 CD GLN A 6 -0.721 -2.452 -4.386 1.00 0.00 C ATOM 80 OE1 GLN A 6 -0.663 -2.575 -5.593 1.00 0.00 O ATOM 81 NE2 GLN A 6 -0.761 -3.510 -3.625 1.00 0.00 N ATOM 82 H GLN A 6 -0.595 1.207 -1.904 1.00 0.00 H ATOM 83 HA GLN A 6 -1.485 -1.444 -1.291 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.901 -0.204 -2.668 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.762 -1.956 -2.508 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.749 -0.841 -3.408 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.441 -0.326 -4.473 1.00 0.00 H ATOM 88 HE21 GLN A 6 -0.808 -3.413 -2.651 1.00 0.00 H ATOM 89 HE22 GLN A 6 -0.744 -4.404 -4.027 1.00 0.00 H ATOM 90 N LEU A 7 1.311 -0.475 0.208 1.00 0.00 N ATOM 91 CA LEU A 7 2.166 -0.784 1.388 1.00 0.00 C ATOM 92 C LEU A 7 1.303 -0.809 2.651 1.00 0.00 C ATOM 93 O LEU A 7 1.439 -1.677 3.491 1.00 0.00 O ATOM 94 CB LEU A 7 3.192 0.346 1.452 1.00 0.00 C ATOM 95 CG LEU A 7 4.327 0.061 0.466 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.242 1.283 0.369 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.137 -1.142 0.959 1.00 0.00 C ATOM 98 H LEU A 7 1.530 0.287 -0.373 1.00 0.00 H ATOM 99 HA LEU A 7 2.662 -1.731 1.254 1.00 0.00 H ATOM 100 HB2 LEU A 7 2.715 1.280 1.194 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.596 0.410 2.451 1.00 0.00 H ATOM 102 HG LEU A 7 3.913 -0.158 -0.507 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.785 1.252 -0.564 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.942 1.275 1.192 1.00 0.00 H ATOM 105 HD13 LEU A 7 4.647 2.183 0.411 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.159 -1.142 2.039 1.00 0.00 H ATOM 107 HD22 LEU A 7 6.146 -1.077 0.578 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.677 -2.054 0.609 1.00 0.00 H ATOM 109 N GLU A 8 0.403 0.128 2.785 1.00 0.00 N ATOM 110 CA GLU A 8 -0.475 0.138 3.985 1.00 0.00 C ATOM 111 C GLU A 8 -1.373 -1.096 3.947 1.00 0.00 C ATOM 112 O GLU A 8 -1.796 -1.608 4.964 1.00 0.00 O ATOM 113 CB GLU A 8 -1.307 1.416 3.869 1.00 0.00 C ATOM 114 CG GLU A 8 -2.406 1.408 4.934 1.00 0.00 C ATOM 115 CD GLU A 8 -3.507 2.396 4.544 1.00 0.00 C ATOM 116 OE1 GLU A 8 -3.622 2.691 3.366 1.00 0.00 O ATOM 117 OE2 GLU A 8 -4.218 2.840 5.431 1.00 0.00 O ATOM 118 H GLU A 8 0.297 0.812 2.092 1.00 0.00 H ATOM 119 HA GLU A 8 0.113 0.151 4.887 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.669 2.275 4.016 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.758 1.465 2.890 1.00 0.00 H ATOM 122 HG2 GLU A 8 -2.823 0.413 5.011 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.987 1.696 5.885 1.00 0.00 H ATOM 124 N GLU A 9 -1.649 -1.582 2.769 1.00 0.00 N ATOM 125 CA GLU A 9 -2.502 -2.795 2.640 1.00 0.00 C ATOM 126 C GLU A 9 -1.632 -4.042 2.791 1.00 0.00 C ATOM 127 O GLU A 9 -2.110 -5.120 3.080 1.00 0.00 O ATOM 128 CB GLU A 9 -3.088 -2.713 1.228 1.00 0.00 C ATOM 129 CG GLU A 9 -3.769 -4.038 0.871 1.00 0.00 C ATOM 130 CD GLU A 9 -3.891 -4.153 -0.650 1.00 0.00 C ATOM 131 OE1 GLU A 9 -2.881 -4.012 -1.319 1.00 0.00 O ATOM 132 OE2 GLU A 9 -4.994 -4.378 -1.120 1.00 0.00 O ATOM 133 H GLU A 9 -1.281 -1.154 1.966 1.00 0.00 H ATOM 134 HA GLU A 9 -3.292 -2.788 3.374 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.812 -1.914 1.185 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.295 -2.519 0.521 1.00 0.00 H ATOM 137 HG2 GLU A 9 -3.178 -4.861 1.248 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.753 -4.068 1.312 1.00 0.00 H ATOM 139 N PHE A 10 -0.350 -3.894 2.595 1.00 0.00 N ATOM 140 CA PHE A 10 0.566 -5.060 2.724 1.00 0.00 C ATOM 141 C PHE A 10 1.277 -5.026 4.079 1.00 0.00 C ATOM 142 O PHE A 10 1.975 -5.949 4.449 1.00 0.00 O ATOM 143 CB PHE A 10 1.571 -4.895 1.585 1.00 0.00 C ATOM 144 CG PHE A 10 1.429 -6.043 0.614 1.00 0.00 C ATOM 145 CD1 PHE A 10 0.477 -5.980 -0.412 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.249 -7.170 0.738 1.00 0.00 C ATOM 147 CE1 PHE A 10 0.346 -7.045 -1.312 1.00 0.00 C ATOM 148 CE2 PHE A 10 2.120 -8.234 -0.163 1.00 0.00 C ATOM 149 CZ PHE A 10 1.168 -8.171 -1.188 1.00 0.00 C ATOM 150 H PHE A 10 0.011 -3.011 2.365 1.00 0.00 H ATOM 151 HA PHE A 10 0.021 -5.983 2.604 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.383 -3.963 1.072 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.573 -4.888 1.987 1.00 0.00 H ATOM 154 HD1 PHE A 10 -0.158 -5.111 -0.507 1.00 0.00 H ATOM 155 HD2 PHE A 10 2.983 -7.218 1.528 1.00 0.00 H ATOM 156 HE1 PHE A 10 -0.387 -6.996 -2.103 1.00 0.00 H ATOM 157 HE2 PHE A 10 2.753 -9.104 -0.067 1.00 0.00 H ATOM 158 HZ PHE A 10 1.069 -8.991 -1.884 1.00 0.00 H ATOM 159 N LEU A 11 1.106 -3.966 4.823 1.00 0.00 N ATOM 160 CA LEU A 11 1.775 -3.873 6.153 1.00 0.00 C ATOM 161 C LEU A 11 1.095 -2.800 7.011 1.00 0.00 C ATOM 162 O LEU A 11 1.000 -2.931 8.216 1.00 0.00 O ATOM 163 CB LEU A 11 3.221 -3.477 5.843 1.00 0.00 C ATOM 164 CG LEU A 11 4.172 -4.563 6.352 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.353 -4.702 5.390 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.691 -4.176 7.738 1.00 0.00 C ATOM 167 H LEU A 11 0.540 -3.232 4.505 1.00 0.00 H ATOM 168 HA LEU A 11 1.753 -4.827 6.655 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.341 -3.365 4.774 1.00 0.00 H ATOM 170 HB3 LEU A 11 3.451 -2.542 6.331 1.00 0.00 H ATOM 171 HG LEU A 11 3.644 -5.504 6.414 1.00 0.00 H ATOM 172 HD11 LEU A 11 5.735 -3.723 5.145 1.00 0.00 H ATOM 173 HD12 LEU A 11 5.026 -5.198 4.489 1.00 0.00 H ATOM 174 HD13 LEU A 11 6.132 -5.286 5.859 1.00 0.00 H ATOM 175 HD21 LEU A 11 5.773 -4.195 7.736 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.323 -4.879 8.471 1.00 0.00 H ATOM 177 HD23 LEU A 11 4.349 -3.183 7.988 1.00 0.00 H HETATM 178 N NH2 A 12 0.612 -1.733 6.434 1.00 0.00 N HETATM 179 HN1 NH2 A 12 0.687 -1.625 5.463 1.00 0.00 H HETATM 180 HN2 NH2 A 12 0.173 -1.042 6.973 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 75 HETATM 1 C ACE A 1 -0.381 5.723 -3.940 1.00 0.00 C HETATM 2 O ACE A 1 -0.790 5.127 -2.960 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.170 7.147 -3.833 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.026 7.679 -4.753 1.00 0.00 H HETATM 5 H2 ACE A 1 1.234 7.112 -3.656 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.315 7.657 -3.013 1.00 0.00 H ATOM 7 N LEU A 2 -0.380 5.164 -5.120 1.00 0.00 N ATOM 8 CA LEU A 2 -0.895 3.777 -5.278 1.00 0.00 C ATOM 9 C LEU A 2 0.016 2.823 -4.512 1.00 0.00 C ATOM 10 O LEU A 2 -0.432 1.887 -3.879 1.00 0.00 O ATOM 11 CB LEU A 2 -0.833 3.495 -6.780 1.00 0.00 C ATOM 12 CG LEU A 2 -2.215 3.703 -7.402 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.324 5.128 -7.942 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.402 2.709 -8.552 1.00 0.00 C ATOM 15 H LEU A 2 -0.033 5.649 -5.893 1.00 0.00 H ATOM 16 HA LEU A 2 -1.910 3.703 -4.924 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.125 4.167 -7.242 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.520 2.476 -6.943 1.00 0.00 H ATOM 19 HG LEU A 2 -2.977 3.541 -6.654 1.00 0.00 H ATOM 20 HD11 LEU A 2 -1.707 5.227 -8.823 1.00 0.00 H ATOM 21 HD12 LEU A 2 -1.990 5.827 -7.189 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.352 5.341 -8.197 1.00 0.00 H ATOM 23 HD21 LEU A 2 -1.799 3.018 -9.392 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.442 2.684 -8.842 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.093 1.725 -8.230 1.00 0.00 H ATOM 26 N VAL A 3 1.295 3.071 -4.550 1.00 0.00 N ATOM 27 CA VAL A 3 2.243 2.195 -3.808 1.00 0.00 C ATOM 28 C VAL A 3 2.050 2.411 -2.306 1.00 0.00 C ATOM 29 O VAL A 3 2.369 1.560 -1.496 1.00 0.00 O ATOM 30 CB VAL A 3 3.639 2.634 -4.250 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.680 1.674 -3.668 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.721 2.606 -5.778 1.00 0.00 C ATOM 33 H VAL A 3 1.628 3.844 -5.057 1.00 0.00 H ATOM 34 HA VAL A 3 2.078 1.160 -4.065 1.00 0.00 H ATOM 35 HB VAL A 3 3.835 3.636 -3.894 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.654 1.912 -4.070 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.419 0.659 -3.932 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.700 1.773 -2.593 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.393 3.379 -6.117 1.00 0.00 H ATOM 40 HG22 VAL A 3 2.738 2.772 -6.194 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.089 1.642 -6.100 1.00 0.00 H ATOM 42 N GLY A 4 1.510 3.541 -1.932 1.00 0.00 N ATOM 43 CA GLY A 4 1.268 3.815 -0.488 1.00 0.00 C ATOM 44 C GLY A 4 0.034 3.030 -0.053 1.00 0.00 C ATOM 45 O GLY A 4 -0.016 2.466 1.023 1.00 0.00 O ATOM 46 H GLY A 4 1.247 4.202 -2.606 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.124 3.503 0.091 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.093 4.870 -0.343 1.00 0.00 H ATOM 49 N ARG A 5 -0.961 2.981 -0.898 1.00 0.00 N ATOM 50 CA ARG A 5 -2.200 2.221 -0.562 1.00 0.00 C ATOM 51 C ARG A 5 -1.875 0.727 -0.501 1.00 0.00 C ATOM 52 O ARG A 5 -2.260 0.028 0.417 1.00 0.00 O ATOM 53 CB ARG A 5 -3.161 2.515 -1.716 1.00 0.00 C ATOM 54 CG ARG A 5 -4.577 2.714 -1.176 1.00 0.00 C ATOM 55 CD ARG A 5 -5.460 1.548 -1.624 1.00 0.00 C ATOM 56 NE ARG A 5 -6.084 2.006 -2.897 1.00 0.00 N ATOM 57 CZ ARG A 5 -5.363 2.111 -3.980 1.00 0.00 C ATOM 58 NH1 ARG A 5 -4.383 1.278 -4.197 1.00 0.00 N ATOM 59 NH2 ARG A 5 -5.621 3.052 -4.847 1.00 0.00 N ATOM 60 H ARG A 5 -0.889 3.440 -1.764 1.00 0.00 H ATOM 61 HA ARG A 5 -2.621 2.563 0.370 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.842 3.410 -2.227 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.155 1.684 -2.408 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.551 2.754 -0.096 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.983 3.638 -1.562 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.857 0.666 -1.793 1.00 0.00 H ATOM 67 HD3 ARG A 5 -6.223 1.346 -0.888 1.00 0.00 H ATOM 68 HE ARG A 5 -7.038 2.230 -2.921 1.00 0.00 H ATOM 69 HH11 ARG A 5 -4.180 0.559 -3.532 1.00 0.00 H ATOM 70 HH12 ARG A 5 -3.832 1.359 -5.029 1.00 0.00 H ATOM 71 HH21 ARG A 5 -6.370 3.694 -4.680 1.00 0.00 H ATOM 72 HH22 ARG A 5 -5.071 3.130 -5.680 1.00 0.00 H ATOM 73 N GLN A 6 -1.153 0.239 -1.474 1.00 0.00 N ATOM 74 CA GLN A 6 -0.779 -1.200 -1.485 1.00 0.00 C ATOM 75 C GLN A 6 0.103 -1.510 -0.271 1.00 0.00 C ATOM 76 O GLN A 6 -0.153 -2.432 0.477 1.00 0.00 O ATOM 77 CB GLN A 6 0.003 -1.387 -2.792 1.00 0.00 C ATOM 78 CG GLN A 6 0.946 -2.591 -2.676 1.00 0.00 C ATOM 79 CD GLN A 6 1.488 -2.950 -4.061 1.00 0.00 C ATOM 80 OE1 GLN A 6 1.155 -3.983 -4.607 1.00 0.00 O ATOM 81 NE2 GLN A 6 2.321 -2.139 -4.654 1.00 0.00 N ATOM 82 H GLN A 6 -0.848 0.828 -2.196 1.00 0.00 H ATOM 83 HA GLN A 6 -1.660 -1.823 -1.486 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.691 -1.552 -3.605 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.583 -0.498 -2.992 1.00 0.00 H ATOM 86 HG2 GLN A 6 1.766 -2.339 -2.021 1.00 0.00 H ATOM 87 HG3 GLN A 6 0.407 -3.435 -2.272 1.00 0.00 H ATOM 88 HE21 GLN A 6 2.594 -1.307 -4.213 1.00 0.00 H ATOM 89 HE22 GLN A 6 2.673 -2.360 -5.543 1.00 0.00 H ATOM 90 N LEU A 7 1.143 -0.745 -0.074 1.00 0.00 N ATOM 91 CA LEU A 7 2.043 -0.997 1.085 1.00 0.00 C ATOM 92 C LEU A 7 1.271 -0.873 2.399 1.00 0.00 C ATOM 93 O LEU A 7 1.387 -1.707 3.276 1.00 0.00 O ATOM 94 CB LEU A 7 3.130 0.079 0.986 1.00 0.00 C ATOM 95 CG LEU A 7 4.223 -0.176 2.031 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.525 -1.676 2.125 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.499 0.564 1.620 1.00 0.00 C ATOM 98 H LEU A 7 1.333 -0.004 -0.693 1.00 0.00 H ATOM 99 HA LEU A 7 2.485 -1.973 1.006 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.566 0.053 -0.002 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.690 1.049 1.159 1.00 0.00 H ATOM 102 HG LEU A 7 3.892 0.186 2.992 1.00 0.00 H ATOM 103 HD11 LEU A 7 3.716 -2.175 2.639 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.444 -1.823 2.674 1.00 0.00 H ATOM 105 HD13 LEU A 7 4.628 -2.085 1.133 1.00 0.00 H ATOM 106 HD21 LEU A 7 6.337 -0.115 1.670 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.667 1.394 2.288 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.392 0.930 0.609 1.00 0.00 H ATOM 109 N GLU A 8 0.471 0.144 2.543 1.00 0.00 N ATOM 110 CA GLU A 8 -0.307 0.286 3.802 1.00 0.00 C ATOM 111 C GLU A 8 -1.217 -0.927 3.955 1.00 0.00 C ATOM 112 O GLU A 8 -1.519 -1.361 5.050 1.00 0.00 O ATOM 113 CB GLU A 8 -1.125 1.565 3.632 1.00 0.00 C ATOM 114 CG GLU A 8 -1.656 2.016 4.994 1.00 0.00 C ATOM 115 CD GLU A 8 -2.681 1.002 5.507 1.00 0.00 C ATOM 116 OE1 GLU A 8 -3.547 0.622 4.734 1.00 0.00 O ATOM 117 OE2 GLU A 8 -2.587 0.626 6.664 1.00 0.00 O ATOM 118 H GLU A 8 0.372 0.799 1.825 1.00 0.00 H ATOM 119 HA GLU A 8 0.354 0.375 4.649 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.500 2.340 3.213 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.956 1.373 2.969 1.00 0.00 H ATOM 122 HG2 GLU A 8 -0.835 2.084 5.694 1.00 0.00 H ATOM 123 HG3 GLU A 8 -2.128 2.981 4.894 1.00 0.00 H ATOM 124 N GLU A 9 -1.635 -1.489 2.856 1.00 0.00 N ATOM 125 CA GLU A 9 -2.505 -2.697 2.924 1.00 0.00 C ATOM 126 C GLU A 9 -1.626 -3.941 3.067 1.00 0.00 C ATOM 127 O GLU A 9 -2.087 -5.010 3.416 1.00 0.00 O ATOM 128 CB GLU A 9 -3.271 -2.723 1.599 1.00 0.00 C ATOM 129 CG GLU A 9 -3.864 -4.118 1.375 1.00 0.00 C ATOM 130 CD GLU A 9 -4.910 -4.413 2.455 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.973 -3.663 3.414 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.631 -5.386 2.302 1.00 0.00 O ATOM 133 H GLU A 9 -1.355 -1.127 1.984 1.00 0.00 H ATOM 134 HA GLU A 9 -3.194 -2.621 3.753 1.00 0.00 H ATOM 135 HB2 GLU A 9 -4.068 -1.993 1.628 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.598 -2.487 0.789 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.330 -4.158 0.401 1.00 0.00 H ATOM 138 HG3 GLU A 9 -3.078 -4.855 1.427 1.00 0.00 H ATOM 139 N PHE A 10 -0.354 -3.798 2.799 1.00 0.00 N ATOM 140 CA PHE A 10 0.582 -4.952 2.917 1.00 0.00 C ATOM 141 C PHE A 10 1.355 -4.859 4.237 1.00 0.00 C ATOM 142 O PHE A 10 2.033 -5.783 4.641 1.00 0.00 O ATOM 143 CB PHE A 10 1.534 -4.801 1.726 1.00 0.00 C ATOM 144 CG PHE A 10 0.937 -5.422 0.479 1.00 0.00 C ATOM 145 CD1 PHE A 10 -0.371 -5.936 0.483 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.704 -5.480 -0.693 1.00 0.00 C ATOM 147 CE1 PHE A 10 -0.903 -6.504 -0.682 1.00 0.00 C ATOM 148 CE2 PHE A 10 1.169 -6.048 -1.856 1.00 0.00 C ATOM 149 CZ PHE A 10 -0.133 -6.561 -1.850 1.00 0.00 C ATOM 150 H PHE A 10 -0.011 -2.924 2.522 1.00 0.00 H ATOM 151 HA PHE A 10 0.051 -5.887 2.855 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.714 -3.751 1.547 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.470 -5.286 1.954 1.00 0.00 H ATOM 154 HD1 PHE A 10 -0.967 -5.893 1.379 1.00 0.00 H ATOM 155 HD2 PHE A 10 2.711 -5.088 -0.699 1.00 0.00 H ATOM 156 HE1 PHE A 10 -1.907 -6.899 -0.677 1.00 0.00 H ATOM 157 HE2 PHE A 10 1.762 -6.090 -2.757 1.00 0.00 H ATOM 158 HZ PHE A 10 -0.545 -6.998 -2.748 1.00 0.00 H ATOM 159 N LEU A 11 1.261 -3.741 4.908 1.00 0.00 N ATOM 160 CA LEU A 11 1.993 -3.575 6.199 1.00 0.00 C ATOM 161 C LEU A 11 1.246 -4.284 7.334 1.00 0.00 C ATOM 162 O LEU A 11 0.035 -4.224 7.414 1.00 0.00 O ATOM 163 CB LEU A 11 2.026 -2.063 6.445 1.00 0.00 C ATOM 164 CG LEU A 11 3.257 -1.704 7.280 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.285 -0.996 6.394 1.00 0.00 C ATOM 166 CD2 LEU A 11 2.842 -0.771 8.425 1.00 0.00 C ATOM 167 H LEU A 11 0.711 -3.007 4.562 1.00 0.00 H ATOM 168 HA LEU A 11 2.998 -3.956 6.112 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.069 -1.544 5.497 1.00 0.00 H ATOM 170 HB3 LEU A 11 1.135 -1.767 6.977 1.00 0.00 H ATOM 171 HG LEU A 11 3.691 -2.605 7.686 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.797 -0.213 5.833 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.722 -1.710 5.711 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.059 -0.567 7.012 1.00 0.00 H ATOM 175 HD21 LEU A 11 1.901 -1.104 8.838 1.00 0.00 H ATOM 176 HD22 LEU A 11 2.732 0.236 8.049 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.599 -0.787 9.196 1.00 0.00 H HETATM 178 N NH2 A 12 1.926 -4.948 8.229 1.00 0.00 N HETATM 179 HN1 NH2 A 12 2.902 -4.998 8.166 1.00 0.00 H HETATM 180 HN2 NH2 A 12 1.460 -5.395 8.966 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 76 HETATM 1 C ACE A 1 -0.658 5.761 -4.053 1.00 0.00 C HETATM 2 O ACE A 1 -1.143 5.207 -3.083 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.206 7.223 -3.993 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.995 7.825 -3.566 1.00 0.00 H HETATM 5 H2 ACE A 1 0.013 7.573 -4.991 1.00 0.00 H HETATM 6 H3 ACE A 1 0.679 7.301 -3.381 1.00 0.00 H ATOM 7 N LEU A 2 -0.498 5.130 -5.185 1.00 0.00 N ATOM 8 CA LEU A 2 -0.917 3.707 -5.309 1.00 0.00 C ATOM 9 C LEU A 2 0.083 2.802 -4.593 1.00 0.00 C ATOM 10 O LEU A 2 -0.286 1.827 -3.970 1.00 0.00 O ATOM 11 CB LEU A 2 -0.932 3.428 -6.811 1.00 0.00 C ATOM 12 CG LEU A 2 -2.317 2.930 -7.221 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.655 3.448 -8.619 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.325 1.401 -7.228 1.00 0.00 C ATOM 15 H LEU A 2 -0.103 5.592 -5.953 1.00 0.00 H ATOM 16 HA LEU A 2 -1.905 3.571 -4.899 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.702 4.338 -7.348 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.196 2.674 -7.047 1.00 0.00 H ATOM 19 HG LEU A 2 -3.051 3.293 -6.516 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.881 2.614 -9.265 1.00 0.00 H ATOM 21 HD12 LEU A 2 -1.809 3.992 -9.015 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.511 4.104 -8.564 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.281 1.047 -7.582 1.00 0.00 H ATOM 24 HD22 LEU A 2 -2.155 1.036 -6.225 1.00 0.00 H ATOM 25 HD23 LEU A 2 -1.543 1.040 -7.879 1.00 0.00 H ATOM 26 N VAL A 3 1.345 3.120 -4.659 1.00 0.00 N ATOM 27 CA VAL A 3 2.353 2.276 -3.960 1.00 0.00 C ATOM 28 C VAL A 3 2.158 2.418 -2.449 1.00 0.00 C ATOM 29 O VAL A 3 2.459 1.526 -1.680 1.00 0.00 O ATOM 30 CB VAL A 3 3.712 2.837 -4.381 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.817 1.875 -3.944 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.753 2.998 -5.903 1.00 0.00 C ATOM 33 H VAL A 3 1.627 3.918 -5.156 1.00 0.00 H ATOM 34 HA VAL A 3 2.261 1.246 -4.262 1.00 0.00 H ATOM 35 HB VAL A 3 3.865 3.798 -3.911 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.275 1.432 -4.816 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.394 1.097 -3.325 1.00 0.00 H ATOM 38 HG13 VAL A 3 5.563 2.416 -3.381 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.098 2.272 -6.360 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.763 2.843 -6.254 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.429 3.993 -6.168 1.00 0.00 H ATOM 42 N GLY A 4 1.639 3.540 -2.027 1.00 0.00 N ATOM 43 CA GLY A 4 1.405 3.763 -0.573 1.00 0.00 C ATOM 44 C GLY A 4 0.151 3.007 -0.153 1.00 0.00 C ATOM 45 O GLY A 4 0.129 2.331 0.854 1.00 0.00 O ATOM 46 H GLY A 4 1.392 4.234 -2.674 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.254 3.400 -0.012 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.269 4.817 -0.384 1.00 0.00 H ATOM 49 N ARG A 5 -0.897 3.106 -0.923 1.00 0.00 N ATOM 50 CA ARG A 5 -2.143 2.374 -0.566 1.00 0.00 C ATOM 51 C ARG A 5 -1.835 0.878 -0.449 1.00 0.00 C ATOM 52 O ARG A 5 -2.223 0.220 0.501 1.00 0.00 O ATOM 53 CB ARG A 5 -3.101 2.642 -1.727 1.00 0.00 C ATOM 54 CG ARG A 5 -4.543 2.406 -1.270 1.00 0.00 C ATOM 55 CD ARG A 5 -5.466 2.382 -2.491 1.00 0.00 C ATOM 56 NE ARG A 5 -5.272 3.706 -3.144 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.294 4.348 -3.636 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.724 4.063 -4.835 1.00 0.00 N ATOM 59 NH2 ARG A 5 -6.886 5.273 -2.932 1.00 0.00 N ATOM 60 H ARG A 5 -0.861 3.654 -1.740 1.00 0.00 H ATOM 61 HA ARG A 5 -2.557 2.754 0.355 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.990 3.666 -2.055 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.872 1.975 -2.545 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.605 1.462 -0.750 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.845 3.204 -0.609 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.181 1.582 -3.161 1.00 0.00 H ATOM 67 HD3 ARG A 5 -6.495 2.269 -2.183 1.00 0.00 H ATOM 68 HE ARG A 5 -4.375 4.093 -3.207 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.270 3.354 -5.373 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.506 4.557 -5.214 1.00 0.00 H ATOM 71 HH21 ARG A 5 -6.556 5.490 -2.012 1.00 0.00 H ATOM 72 HH22 ARG A 5 -7.669 5.767 -3.311 1.00 0.00 H ATOM 73 N GLN A 6 -1.131 0.338 -1.408 1.00 0.00 N ATOM 74 CA GLN A 6 -0.793 -1.115 -1.357 1.00 0.00 C ATOM 75 C GLN A 6 0.132 -1.407 -0.172 1.00 0.00 C ATOM 76 O GLN A 6 -0.140 -2.273 0.636 1.00 0.00 O ATOM 77 CB GLN A 6 -0.081 -1.412 -2.678 1.00 0.00 C ATOM 78 CG GLN A 6 -0.081 -2.923 -2.924 1.00 0.00 C ATOM 79 CD GLN A 6 0.035 -3.199 -4.425 1.00 0.00 C ATOM 80 OE1 GLN A 6 -0.359 -4.247 -4.893 1.00 0.00 O ATOM 81 NE2 GLN A 6 0.563 -2.296 -5.204 1.00 0.00 N ATOM 82 H GLN A 6 -0.821 0.888 -2.159 1.00 0.00 H ATOM 83 HA GLN A 6 -1.692 -1.706 -1.285 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.598 -0.913 -3.485 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.938 -1.057 -2.628 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.754 -3.372 -2.407 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.003 -3.345 -2.554 1.00 0.00 H ATOM 88 HE21 GLN A 6 0.879 -1.448 -4.827 1.00 0.00 H ATOM 89 HE22 GLN A 6 0.642 -2.464 -6.165 1.00 0.00 H ATOM 90 N LEU A 7 1.224 -0.699 -0.058 1.00 0.00 N ATOM 91 CA LEU A 7 2.152 -0.955 1.081 1.00 0.00 C ATOM 92 C LEU A 7 1.400 -0.857 2.408 1.00 0.00 C ATOM 93 O LEU A 7 1.492 -1.729 3.252 1.00 0.00 O ATOM 94 CB LEU A 7 3.215 0.137 0.985 1.00 0.00 C ATOM 95 CG LEU A 7 4.579 -0.446 1.351 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.476 -1.190 2.683 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.026 -1.421 0.258 1.00 0.00 C ATOM 98 H LEU A 7 1.436 -0.003 -0.721 1.00 0.00 H ATOM 99 HA LEU A 7 2.608 -1.925 0.980 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.246 0.520 -0.025 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.973 0.938 1.668 1.00 0.00 H ATOM 102 HG LEU A 7 5.300 0.353 1.440 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.170 -2.210 2.501 1.00 0.00 H ATOM 104 HD12 LEU A 7 3.747 -0.702 3.312 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.438 -1.185 3.172 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.359 -1.345 -0.588 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.003 -2.430 0.645 1.00 0.00 H ATOM 108 HD23 LEU A 7 6.031 -1.177 -0.051 1.00 0.00 H ATOM 109 N GLU A 8 0.643 0.187 2.595 1.00 0.00 N ATOM 110 CA GLU A 8 -0.125 0.323 3.861 1.00 0.00 C ATOM 111 C GLU A 8 -1.042 -0.882 3.995 1.00 0.00 C ATOM 112 O GLU A 8 -1.330 -1.346 5.080 1.00 0.00 O ATOM 113 CB GLU A 8 -0.932 1.612 3.701 1.00 0.00 C ATOM 114 CG GLU A 8 -1.295 2.168 5.079 1.00 0.00 C ATOM 115 CD GLU A 8 -2.702 1.706 5.464 1.00 0.00 C ATOM 116 OE1 GLU A 8 -3.273 0.923 4.723 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.185 2.142 6.495 1.00 0.00 O ATOM 118 H GLU A 8 0.567 0.866 1.901 1.00 0.00 H ATOM 119 HA GLU A 8 0.540 0.393 4.705 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.344 2.339 3.163 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.836 1.402 3.150 1.00 0.00 H ATOM 122 HG2 GLU A 8 -0.585 1.812 5.809 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.269 3.246 5.048 1.00 0.00 H ATOM 124 N GLU A 9 -1.481 -1.407 2.885 1.00 0.00 N ATOM 125 CA GLU A 9 -2.360 -2.605 2.933 1.00 0.00 C ATOM 126 C GLU A 9 -1.491 -3.860 3.055 1.00 0.00 C ATOM 127 O GLU A 9 -1.956 -4.919 3.425 1.00 0.00 O ATOM 128 CB GLU A 9 -3.130 -2.597 1.611 1.00 0.00 C ATOM 129 CG GLU A 9 -4.035 -3.828 1.538 1.00 0.00 C ATOM 130 CD GLU A 9 -3.197 -5.057 1.183 1.00 0.00 C ATOM 131 OE1 GLU A 9 -2.186 -4.888 0.520 1.00 0.00 O ATOM 132 OE2 GLU A 9 -3.576 -6.145 1.583 1.00 0.00 O ATOM 133 H GLU A 9 -1.213 -1.018 2.018 1.00 0.00 H ATOM 134 HA GLU A 9 -3.045 -2.538 3.764 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.733 -1.702 1.553 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.432 -2.615 0.787 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.513 -3.982 2.495 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.788 -3.678 0.780 1.00 0.00 H ATOM 139 N PHE A 10 -0.225 -3.737 2.757 1.00 0.00 N ATOM 140 CA PHE A 10 0.692 -4.909 2.864 1.00 0.00 C ATOM 141 C PHE A 10 1.153 -5.061 4.315 1.00 0.00 C ATOM 142 O PHE A 10 1.512 -6.135 4.756 1.00 0.00 O ATOM 143 CB PHE A 10 1.874 -4.569 1.950 1.00 0.00 C ATOM 144 CG PHE A 10 2.660 -5.822 1.636 1.00 0.00 C ATOM 145 CD1 PHE A 10 2.261 -6.656 0.583 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.793 -6.146 2.394 1.00 0.00 C ATOM 147 CE1 PHE A 10 2.994 -7.815 0.291 1.00 0.00 C ATOM 148 CE2 PHE A 10 4.524 -7.304 2.100 1.00 0.00 C ATOM 149 CZ PHE A 10 4.125 -8.138 1.048 1.00 0.00 C ATOM 150 H PHE A 10 0.127 -2.867 2.471 1.00 0.00 H ATOM 151 HA PHE A 10 0.203 -5.807 2.521 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.505 -4.138 1.031 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.518 -3.858 2.445 1.00 0.00 H ATOM 154 HD1 PHE A 10 1.390 -6.408 -0.002 1.00 0.00 H ATOM 155 HD2 PHE A 10 4.101 -5.505 3.204 1.00 0.00 H ATOM 156 HE1 PHE A 10 2.684 -8.459 -0.520 1.00 0.00 H ATOM 157 HE2 PHE A 10 5.398 -7.554 2.685 1.00 0.00 H ATOM 158 HZ PHE A 10 4.691 -9.031 0.823 1.00 0.00 H ATOM 159 N LEU A 11 1.131 -3.989 5.064 1.00 0.00 N ATOM 160 CA LEU A 11 1.554 -4.062 6.494 1.00 0.00 C ATOM 161 C LEU A 11 0.461 -4.740 7.327 1.00 0.00 C ATOM 162 O LEU A 11 -0.713 -4.526 7.104 1.00 0.00 O ATOM 163 CB LEU A 11 1.731 -2.606 6.928 1.00 0.00 C ATOM 164 CG LEU A 11 2.765 -2.524 8.053 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.556 -1.219 7.929 1.00 0.00 C ATOM 166 CD2 LEU A 11 2.048 -2.554 9.404 1.00 0.00 C ATOM 167 H LEU A 11 0.829 -3.133 4.686 1.00 0.00 H ATOM 168 HA LEU A 11 2.488 -4.594 6.586 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.066 -2.018 6.087 1.00 0.00 H ATOM 170 HB3 LEU A 11 0.787 -2.221 7.282 1.00 0.00 H ATOM 171 HG LEU A 11 3.442 -3.364 7.984 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.180 -0.649 7.092 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.599 -1.446 7.769 1.00 0.00 H ATOM 174 HD13 LEU A 11 3.447 -0.644 8.836 1.00 0.00 H ATOM 175 HD21 LEU A 11 0.984 -2.649 9.245 1.00 0.00 H ATOM 176 HD22 LEU A 11 2.251 -1.638 9.941 1.00 0.00 H ATOM 177 HD23 LEU A 11 2.402 -3.395 9.982 1.00 0.00 H HETATM 178 N NH2 A 12 0.801 -5.555 8.287 1.00 0.00 N HETATM 179 HN1 NH2 A 12 1.746 -5.730 8.471 1.00 0.00 H HETATM 180 HN2 NH2 A 12 0.107 -5.991 8.826 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 77 HETATM 1 C ACE A 1 -0.286 5.663 -3.860 1.00 0.00 C HETATM 2 O ACE A 1 -0.928 5.058 -3.022 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.293 7.049 -3.572 1.00 0.00 C HETATM 4 H1 ACE A 1 0.932 7.349 -4.390 1.00 0.00 H HETATM 5 H2 ACE A 1 0.871 7.014 -2.659 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.511 7.760 -3.462 1.00 0.00 H ATOM 7 N LEU A 2 -0.052 5.148 -5.036 1.00 0.00 N ATOM 8 CA LEU A 2 -0.578 3.798 -5.374 1.00 0.00 C ATOM 9 C LEU A 2 0.150 2.762 -4.531 1.00 0.00 C ATOM 10 O LEU A 2 -0.451 1.908 -3.911 1.00 0.00 O ATOM 11 CB LEU A 2 -0.253 3.605 -6.860 1.00 0.00 C ATOM 12 CG LEU A 2 -1.258 4.361 -7.747 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.458 3.460 -8.047 1.00 0.00 C ATOM 14 CD2 LEU A 2 -1.746 5.636 -7.047 1.00 0.00 C ATOM 15 H LEU A 2 0.482 5.641 -5.691 1.00 0.00 H ATOM 16 HA LEU A 2 -1.642 3.748 -5.206 1.00 0.00 H ATOM 17 HB2 LEU A 2 0.743 3.974 -7.056 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.294 2.552 -7.098 1.00 0.00 H ATOM 19 HG LEU A 2 -0.775 4.627 -8.678 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.842 3.052 -7.123 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.149 2.654 -8.696 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.229 4.038 -8.534 1.00 0.00 H ATOM 23 HD21 LEU A 2 -0.899 6.264 -6.806 1.00 0.00 H ATOM 24 HD22 LEU A 2 -2.267 5.373 -6.139 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.416 6.172 -7.702 1.00 0.00 H ATOM 26 N VAL A 3 1.448 2.850 -4.489 1.00 0.00 N ATOM 27 CA VAL A 3 2.222 1.885 -3.666 1.00 0.00 C ATOM 28 C VAL A 3 2.004 2.206 -2.190 1.00 0.00 C ATOM 29 O VAL A 3 2.237 1.391 -1.320 1.00 0.00 O ATOM 30 CB VAL A 3 3.683 2.099 -4.056 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.880 1.709 -5.521 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.050 3.572 -3.862 1.00 0.00 C ATOM 33 H VAL A 3 1.908 3.562 -4.985 1.00 0.00 H ATOM 34 HA VAL A 3 1.921 0.873 -3.885 1.00 0.00 H ATOM 35 HB VAL A 3 4.314 1.483 -3.432 1.00 0.00 H ATOM 36 HG11 VAL A 3 3.349 2.404 -6.154 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.499 0.711 -5.683 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.933 1.736 -5.761 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.555 3.934 -4.745 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.704 3.669 -3.010 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.153 4.149 -3.698 1.00 0.00 H ATOM 42 N GLY A 4 1.538 3.393 -1.907 1.00 0.00 N ATOM 43 CA GLY A 4 1.278 3.775 -0.496 1.00 0.00 C ATOM 44 C GLY A 4 0.024 3.050 -0.026 1.00 0.00 C ATOM 45 O GLY A 4 -0.010 2.473 1.043 1.00 0.00 O ATOM 46 H GLY A 4 1.343 4.026 -2.628 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.122 3.487 0.119 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.125 4.841 -0.428 1.00 0.00 H ATOM 49 N ARG A 5 -1.008 3.055 -0.828 1.00 0.00 N ATOM 50 CA ARG A 5 -2.250 2.338 -0.426 1.00 0.00 C ATOM 51 C ARG A 5 -1.965 0.836 -0.406 1.00 0.00 C ATOM 52 O ARG A 5 -2.247 0.147 0.558 1.00 0.00 O ATOM 53 CB ARG A 5 -3.285 2.684 -1.499 1.00 0.00 C ATOM 54 CG ARG A 5 -4.367 3.587 -0.897 1.00 0.00 C ATOM 55 CD ARG A 5 -4.659 4.747 -1.856 1.00 0.00 C ATOM 56 NE ARG A 5 -4.798 5.947 -0.984 1.00 0.00 N ATOM 57 CZ ARG A 5 -4.459 7.126 -1.433 1.00 0.00 C ATOM 58 NH1 ARG A 5 -4.902 7.542 -2.590 1.00 0.00 N ATOM 59 NH2 ARG A 5 -3.674 7.891 -0.725 1.00 0.00 N ATOM 60 H ARG A 5 -0.958 3.511 -1.699 1.00 0.00 H ATOM 61 HA ARG A 5 -2.587 2.676 0.542 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.800 3.198 -2.317 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.741 1.777 -1.866 1.00 0.00 H ATOM 64 HG2 ARG A 5 -5.268 3.011 -0.742 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.024 3.981 0.047 1.00 0.00 H ATOM 66 HD2 ARG A 5 -3.839 4.876 -2.547 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.579 4.570 -2.390 1.00 0.00 H ATOM 68 HE ARG A 5 -5.144 5.853 -0.072 1.00 0.00 H ATOM 69 HH11 ARG A 5 -5.506 6.959 -3.136 1.00 0.00 H ATOM 70 HH12 ARG A 5 -4.639 8.445 -2.931 1.00 0.00 H ATOM 71 HH21 ARG A 5 -3.335 7.575 0.162 1.00 0.00 H ATOM 72 HH22 ARG A 5 -3.412 8.793 -1.067 1.00 0.00 H ATOM 73 N GLN A 6 -1.382 0.329 -1.459 1.00 0.00 N ATOM 74 CA GLN A 6 -1.052 -1.124 -1.505 1.00 0.00 C ATOM 75 C GLN A 6 -0.134 -1.475 -0.333 1.00 0.00 C ATOM 76 O GLN A 6 -0.357 -2.436 0.379 1.00 0.00 O ATOM 77 CB GLN A 6 -0.325 -1.324 -2.839 1.00 0.00 C ATOM 78 CG GLN A 6 -0.177 -2.821 -3.122 1.00 0.00 C ATOM 79 CD GLN A 6 1.093 -3.067 -3.938 1.00 0.00 C ATOM 80 OE1 GLN A 6 2.164 -3.219 -3.385 1.00 0.00 O ATOM 81 NE2 GLN A 6 1.020 -3.115 -5.240 1.00 0.00 N ATOM 82 H GLN A 6 -1.151 0.909 -2.215 1.00 0.00 H ATOM 83 HA GLN A 6 -1.951 -1.719 -1.479 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.895 -0.862 -3.632 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.654 -0.870 -2.788 1.00 0.00 H ATOM 86 HG2 GLN A 6 -0.114 -3.358 -2.186 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.033 -3.168 -3.679 1.00 0.00 H ATOM 88 HE21 GLN A 6 0.156 -2.997 -5.687 1.00 0.00 H ATOM 89 HE22 GLN A 6 1.829 -3.273 -5.771 1.00 0.00 H ATOM 90 N LEU A 7 0.892 -0.696 -0.118 1.00 0.00 N ATOM 91 CA LEU A 7 1.816 -0.979 1.015 1.00 0.00 C ATOM 92 C LEU A 7 1.073 -0.777 2.333 1.00 0.00 C ATOM 93 O LEU A 7 1.343 -1.438 3.315 1.00 0.00 O ATOM 94 CB LEU A 7 2.958 0.028 0.871 1.00 0.00 C ATOM 95 CG LEU A 7 4.109 -0.368 1.798 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.415 0.246 1.289 1.00 0.00 C ATOM 97 CD2 LEU A 7 3.824 0.142 3.212 1.00 0.00 C ATOM 98 H LEU A 7 1.048 0.077 -0.696 1.00 0.00 H ATOM 99 HA LEU A 7 2.196 -1.985 0.949 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.305 0.034 -0.151 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.606 1.013 1.139 1.00 0.00 H ATOM 102 HG LEU A 7 4.202 -1.444 1.815 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.744 -0.288 0.409 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.171 0.173 2.057 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.252 1.285 1.040 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.707 0.627 3.605 1.00 0.00 H ATOM 107 HD22 LEU A 7 3.558 -0.689 3.847 1.00 0.00 H ATOM 108 HD23 LEU A 7 3.009 0.849 3.183 1.00 0.00 H ATOM 109 N GLU A 8 0.117 0.112 2.359 1.00 0.00 N ATOM 110 CA GLU A 8 -0.656 0.319 3.612 1.00 0.00 C ATOM 111 C GLU A 8 -1.399 -0.972 3.926 1.00 0.00 C ATOM 112 O GLU A 8 -1.562 -1.355 5.068 1.00 0.00 O ATOM 113 CB GLU A 8 -1.640 1.450 3.307 1.00 0.00 C ATOM 114 CG GLU A 8 -0.993 2.796 3.638 1.00 0.00 C ATOM 115 CD GLU A 8 -0.728 2.883 5.143 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.677 3.097 5.881 1.00 0.00 O ATOM 117 OE2 GLU A 8 0.419 2.737 5.532 1.00 0.00 O ATOM 118 H GLU A 8 -0.105 0.622 1.551 1.00 0.00 H ATOM 119 HA GLU A 8 -0.002 0.592 4.424 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.904 1.424 2.259 1.00 0.00 H ATOM 121 HB3 GLU A 8 -2.530 1.324 3.905 1.00 0.00 H ATOM 122 HG2 GLU A 8 -0.060 2.887 3.103 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.656 3.596 3.345 1.00 0.00 H ATOM 124 N GLU A 9 -1.823 -1.661 2.904 1.00 0.00 N ATOM 125 CA GLU A 9 -2.530 -2.954 3.116 1.00 0.00 C ATOM 126 C GLU A 9 -1.495 -4.079 3.178 1.00 0.00 C ATOM 127 O GLU A 9 -1.781 -5.184 3.593 1.00 0.00 O ATOM 128 CB GLU A 9 -3.441 -3.121 1.899 1.00 0.00 C ATOM 129 CG GLU A 9 -4.793 -2.458 2.175 1.00 0.00 C ATOM 130 CD GLU A 9 -5.383 -3.002 3.478 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.052 -4.120 3.837 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.158 -2.291 4.096 1.00 0.00 O ATOM 133 H GLU A 9 -1.652 -1.334 1.989 1.00 0.00 H ATOM 134 HA GLU A 9 -3.115 -2.923 4.021 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.981 -2.655 1.039 1.00 0.00 H ATOM 136 HB3 GLU A 9 -3.591 -4.172 1.701 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.657 -1.389 2.260 1.00 0.00 H ATOM 138 HG3 GLU A 9 -5.470 -2.669 1.360 1.00 0.00 H ATOM 139 N PHE A 10 -0.289 -3.789 2.771 1.00 0.00 N ATOM 140 CA PHE A 10 0.791 -4.813 2.801 1.00 0.00 C ATOM 141 C PHE A 10 1.642 -4.631 4.060 1.00 0.00 C ATOM 142 O PHE A 10 2.439 -5.478 4.414 1.00 0.00 O ATOM 143 CB PHE A 10 1.626 -4.522 1.553 1.00 0.00 C ATOM 144 CG PHE A 10 1.975 -5.810 0.855 1.00 0.00 C ATOM 145 CD1 PHE A 10 0.963 -6.625 0.335 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.317 -6.186 0.717 1.00 0.00 C ATOM 147 CE1 PHE A 10 1.292 -7.817 -0.322 1.00 0.00 C ATOM 148 CE2 PHE A 10 3.647 -7.377 0.063 1.00 0.00 C ATOM 149 CZ PHE A 10 2.635 -8.192 -0.458 1.00 0.00 C ATOM 150 H PHE A 10 -0.089 -2.886 2.445 1.00 0.00 H ATOM 151 HA PHE A 10 0.381 -5.808 2.752 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.059 -3.895 0.881 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.534 -4.012 1.838 1.00 0.00 H ATOM 154 HD1 PHE A 10 -0.072 -6.335 0.442 1.00 0.00 H ATOM 155 HD2 PHE A 10 4.097 -5.558 1.121 1.00 0.00 H ATOM 156 HE1 PHE A 10 0.512 -8.446 -0.723 1.00 0.00 H ATOM 157 HE2 PHE A 10 4.681 -7.667 -0.042 1.00 0.00 H ATOM 158 HZ PHE A 10 2.890 -9.111 -0.966 1.00 0.00 H ATOM 159 N LEU A 11 1.479 -3.524 4.734 1.00 0.00 N ATOM 160 CA LEU A 11 2.278 -3.274 5.968 1.00 0.00 C ATOM 161 C LEU A 11 1.729 -4.104 7.133 1.00 0.00 C ATOM 162 O LEU A 11 0.537 -4.315 7.242 1.00 0.00 O ATOM 163 CB LEU A 11 2.110 -1.778 6.241 1.00 0.00 C ATOM 164 CG LEU A 11 2.686 -1.437 7.615 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.367 -0.066 7.557 1.00 0.00 C ATOM 166 CD2 LEU A 11 1.555 -1.402 8.645 1.00 0.00 C ATOM 167 H LEU A 11 0.834 -2.855 4.427 1.00 0.00 H ATOM 168 HA LEU A 11 3.317 -3.503 5.797 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.630 -1.212 5.481 1.00 0.00 H ATOM 170 HB3 LEU A 11 1.061 -1.525 6.223 1.00 0.00 H ATOM 171 HG LEU A 11 3.411 -2.186 7.897 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.343 -0.165 7.107 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.469 0.329 8.556 1.00 0.00 H ATOM 174 HD13 LEU A 11 2.766 0.610 6.965 1.00 0.00 H ATOM 175 HD21 LEU A 11 1.750 -0.625 9.369 1.00 0.00 H ATOM 176 HD22 LEU A 11 1.497 -2.356 9.146 1.00 0.00 H ATOM 177 HD23 LEU A 11 0.619 -1.201 8.143 1.00 0.00 H HETATM 178 N NH2 A 12 2.559 -4.594 8.015 1.00 0.00 N HETATM 179 HN1 NH2 A 12 3.522 -4.425 7.928 1.00 0.00 H HETATM 180 HN2 NH2 A 12 2.222 -5.133 8.760 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 78 HETATM 1 C ACE A 1 -0.417 5.850 -3.939 1.00 0.00 C HETATM 2 O ACE A 1 -0.786 5.265 -2.939 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.216 7.242 -3.858 1.00 0.00 C HETATM 4 H1 ACE A 1 1.217 7.205 -4.261 1.00 0.00 H HETATM 5 H2 ACE A 1 0.252 7.561 -2.828 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.377 7.940 -4.431 1.00 0.00 H ATOM 7 N LEU A 2 -0.534 5.309 -5.122 1.00 0.00 N ATOM 8 CA LEU A 2 -1.131 3.954 -5.261 1.00 0.00 C ATOM 9 C LEU A 2 -0.204 2.932 -4.612 1.00 0.00 C ATOM 10 O LEU A 2 -0.638 2.009 -3.951 1.00 0.00 O ATOM 11 CB LEU A 2 -1.233 3.717 -6.768 1.00 0.00 C ATOM 12 CG LEU A 2 -2.589 3.092 -7.096 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.724 1.755 -6.366 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.708 4.032 -6.643 1.00 0.00 C ATOM 15 H LEU A 2 -0.218 5.790 -5.914 1.00 0.00 H ATOM 16 HA LEU A 2 -2.109 3.922 -4.809 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.136 4.660 -7.287 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.444 3.050 -7.082 1.00 0.00 H ATOM 19 HG LEU A 2 -2.662 2.928 -8.161 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.795 0.955 -7.088 1.00 0.00 H ATOM 21 HD12 LEU A 2 -3.614 1.766 -5.755 1.00 0.00 H ATOM 22 HD13 LEU A 2 -1.859 1.597 -5.739 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.285 4.844 -6.069 1.00 0.00 H ATOM 24 HD22 LEU A 2 -4.411 3.486 -6.031 1.00 0.00 H ATOM 25 HD23 LEU A 2 -4.217 4.429 -7.509 1.00 0.00 H ATOM 26 N VAL A 3 1.076 3.108 -4.780 1.00 0.00 N ATOM 27 CA VAL A 3 2.041 2.162 -4.154 1.00 0.00 C ATOM 28 C VAL A 3 2.011 2.356 -2.638 1.00 0.00 C ATOM 29 O VAL A 3 2.303 1.453 -1.874 1.00 0.00 O ATOM 30 CB VAL A 3 3.407 2.545 -4.723 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.473 1.595 -4.174 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.371 2.438 -6.249 1.00 0.00 C ATOM 33 H VAL A 3 1.400 3.872 -5.304 1.00 0.00 H ATOM 34 HA VAL A 3 1.798 1.145 -4.415 1.00 0.00 H ATOM 35 HB VAL A 3 3.646 3.559 -4.435 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.109 1.262 -4.981 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.994 0.742 -3.717 1.00 0.00 H ATOM 38 HG13 VAL A 3 5.069 2.111 -3.435 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.964 3.233 -6.679 1.00 0.00 H ATOM 40 HG22 VAL A 3 2.352 2.524 -6.593 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.775 1.483 -6.553 1.00 0.00 H ATOM 42 N GLY A 4 1.635 3.527 -2.198 1.00 0.00 N ATOM 43 CA GLY A 4 1.560 3.788 -0.736 1.00 0.00 C ATOM 44 C GLY A 4 0.351 3.045 -0.180 1.00 0.00 C ATOM 45 O GLY A 4 0.423 2.391 0.842 1.00 0.00 O ATOM 46 H GLY A 4 1.385 4.231 -2.833 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.462 3.432 -0.257 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.446 4.846 -0.559 1.00 0.00 H ATOM 49 N ARG A 5 -0.760 3.124 -0.860 1.00 0.00 N ATOM 50 CA ARG A 5 -1.970 2.400 -0.382 1.00 0.00 C ATOM 51 C ARG A 5 -1.666 0.903 -0.338 1.00 0.00 C ATOM 52 O ARG A 5 -1.957 0.222 0.629 1.00 0.00 O ATOM 53 CB ARG A 5 -3.053 2.703 -1.420 1.00 0.00 C ATOM 54 CG ARG A 5 -4.416 2.267 -0.879 1.00 0.00 C ATOM 55 CD ARG A 5 -5.210 3.498 -0.435 1.00 0.00 C ATOM 56 NE ARG A 5 -6.364 3.569 -1.373 1.00 0.00 N ATOM 57 CZ ARG A 5 -7.391 2.778 -1.213 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.406 1.909 -0.238 1.00 0.00 N ATOM 59 NH2 ARG A 5 -8.404 2.853 -2.031 1.00 0.00 N ATOM 60 H ARG A 5 -0.792 3.645 -1.692 1.00 0.00 H ATOM 61 HA ARG A 5 -2.271 2.759 0.590 1.00 0.00 H ATOM 62 HB2 ARG A 5 -3.068 3.765 -1.624 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.840 2.164 -2.331 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.960 1.747 -1.654 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.275 1.609 -0.035 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.555 3.374 0.583 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.606 4.387 -0.523 1.00 0.00 H ATOM 68 HE ARG A 5 -6.353 4.212 -2.113 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.630 1.847 0.390 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.194 1.306 -0.118 1.00 0.00 H ATOM 71 HH21 ARG A 5 -8.396 3.518 -2.779 1.00 0.00 H ATOM 72 HH22 ARG A 5 -9.191 2.247 -1.910 1.00 0.00 H ATOM 73 N GLN A 6 -1.061 0.387 -1.375 1.00 0.00 N ATOM 74 CA GLN A 6 -0.718 -1.059 -1.389 1.00 0.00 C ATOM 75 C GLN A 6 0.167 -1.378 -0.184 1.00 0.00 C ATOM 76 O GLN A 6 -0.099 -2.293 0.571 1.00 0.00 O ATOM 77 CB GLN A 6 0.045 -1.277 -2.696 1.00 0.00 C ATOM 78 CG GLN A 6 0.489 -2.737 -2.790 1.00 0.00 C ATOM 79 CD GLN A 6 1.886 -2.807 -3.407 1.00 0.00 C ATOM 80 OE1 GLN A 6 2.071 -3.384 -4.461 1.00 0.00 O ATOM 81 NE2 GLN A 6 2.887 -2.241 -2.791 1.00 0.00 N ATOM 82 H GLN A 6 -0.822 0.957 -2.137 1.00 0.00 H ATOM 83 HA GLN A 6 -1.611 -1.662 -1.374 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.598 -1.040 -3.531 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.914 -0.636 -2.717 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.508 -3.171 -1.801 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.204 -3.285 -3.411 1.00 0.00 H ATOM 88 HE21 GLN A 6 2.740 -1.777 -1.940 1.00 0.00 H ATOM 89 HE22 GLN A 6 3.786 -2.279 -3.179 1.00 0.00 H ATOM 90 N LEU A 7 1.210 -0.618 0.015 1.00 0.00 N ATOM 91 CA LEU A 7 2.095 -0.872 1.185 1.00 0.00 C ATOM 92 C LEU A 7 1.262 -0.839 2.466 1.00 0.00 C ATOM 93 O LEU A 7 1.472 -1.615 3.378 1.00 0.00 O ATOM 94 CB LEU A 7 3.115 0.268 1.173 1.00 0.00 C ATOM 95 CG LEU A 7 4.459 -0.242 1.694 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.244 -1.026 2.989 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.095 -1.157 0.645 1.00 0.00 C ATOM 98 H LEU A 7 1.404 0.126 -0.598 1.00 0.00 H ATOM 99 HA LEU A 7 2.594 -1.821 1.083 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.234 0.633 0.164 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.766 1.068 1.808 1.00 0.00 H ATOM 102 HG LEU A 7 5.113 0.597 1.884 1.00 0.00 H ATOM 103 HD11 LEU A 7 3.719 -1.944 2.771 1.00 0.00 H ATOM 104 HD12 LEU A 7 3.662 -0.431 3.678 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.201 -1.256 3.433 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.317 -1.641 0.072 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.698 -1.905 1.139 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.716 -0.572 -0.015 1.00 0.00 H ATOM 109 N GLU A 8 0.301 0.044 2.534 1.00 0.00 N ATOM 110 CA GLU A 8 -0.558 0.113 3.746 1.00 0.00 C ATOM 111 C GLU A 8 -1.366 -1.178 3.851 1.00 0.00 C ATOM 112 O GLU A 8 -1.716 -1.624 4.925 1.00 0.00 O ATOM 113 CB GLU A 8 -1.478 1.316 3.516 1.00 0.00 C ATOM 114 CG GLU A 8 -2.704 1.210 4.426 1.00 0.00 C ATOM 115 CD GLU A 8 -2.264 1.276 5.889 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.721 0.294 6.368 1.00 0.00 O ATOM 117 OE2 GLU A 8 -2.476 2.308 6.505 1.00 0.00 O ATOM 118 H GLU A 8 0.138 0.649 1.782 1.00 0.00 H ATOM 119 HA GLU A 8 0.041 0.261 4.630 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.940 2.226 3.740 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.797 1.331 2.485 1.00 0.00 H ATOM 122 HG2 GLU A 8 -3.380 2.026 4.216 1.00 0.00 H ATOM 123 HG3 GLU A 8 -3.207 0.272 4.246 1.00 0.00 H ATOM 124 N GLU A 9 -1.647 -1.787 2.734 1.00 0.00 N ATOM 125 CA GLU A 9 -2.417 -3.062 2.756 1.00 0.00 C ATOM 126 C GLU A 9 -1.464 -4.224 3.042 1.00 0.00 C ATOM 127 O GLU A 9 -1.870 -5.291 3.460 1.00 0.00 O ATOM 128 CB GLU A 9 -3.024 -3.187 1.357 1.00 0.00 C ATOM 129 CG GLU A 9 -4.256 -2.286 1.254 1.00 0.00 C ATOM 130 CD GLU A 9 -4.741 -2.252 -0.197 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.521 -3.225 -0.898 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.325 -1.252 -0.582 1.00 0.00 O ATOM 133 H GLU A 9 -1.341 -1.409 1.879 1.00 0.00 H ATOM 134 HA GLU A 9 -3.197 -3.021 3.499 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.293 -2.887 0.621 1.00 0.00 H ATOM 136 HB3 GLU A 9 -3.314 -4.212 1.181 1.00 0.00 H ATOM 137 HG2 GLU A 9 -5.040 -2.675 1.887 1.00 0.00 H ATOM 138 HG3 GLU A 9 -3.999 -1.286 1.569 1.00 0.00 H ATOM 139 N PHE A 10 -0.193 -4.015 2.827 1.00 0.00 N ATOM 140 CA PHE A 10 0.803 -5.094 3.093 1.00 0.00 C ATOM 141 C PHE A 10 1.379 -4.925 4.500 1.00 0.00 C ATOM 142 O PHE A 10 2.016 -5.811 5.033 1.00 0.00 O ATOM 143 CB PHE A 10 1.895 -4.891 2.042 1.00 0.00 C ATOM 144 CG PHE A 10 2.179 -6.198 1.338 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.185 -6.808 0.564 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.438 -6.798 1.458 1.00 0.00 C ATOM 147 CE1 PHE A 10 1.449 -8.016 -0.091 1.00 0.00 C ATOM 148 CE2 PHE A 10 3.703 -8.007 0.802 1.00 0.00 C ATOM 149 CZ PHE A 10 2.708 -8.616 0.028 1.00 0.00 C ATOM 150 H PHE A 10 0.109 -3.142 2.498 1.00 0.00 H ATOM 151 HA PHE A 10 0.350 -6.066 2.978 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.566 -4.159 1.319 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.796 -4.541 2.523 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.213 -6.345 0.472 1.00 0.00 H ATOM 155 HD2 PHE A 10 4.205 -6.329 2.055 1.00 0.00 H ATOM 156 HE1 PHE A 10 0.682 -8.486 -0.689 1.00 0.00 H ATOM 157 HE2 PHE A 10 4.675 -8.470 0.896 1.00 0.00 H ATOM 158 HZ PHE A 10 2.914 -9.549 -0.477 1.00 0.00 H ATOM 159 N LEU A 11 1.160 -3.788 5.103 1.00 0.00 N ATOM 160 CA LEU A 11 1.693 -3.552 6.476 1.00 0.00 C ATOM 161 C LEU A 11 0.857 -4.310 7.510 1.00 0.00 C ATOM 162 O LEU A 11 -0.355 -4.341 7.430 1.00 0.00 O ATOM 163 CB LEU A 11 1.569 -2.043 6.692 1.00 0.00 C ATOM 164 CG LEU A 11 2.700 -1.561 7.604 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.690 -0.726 6.791 1.00 0.00 C ATOM 166 CD2 LEU A 11 2.116 -0.705 8.729 1.00 0.00 C ATOM 167 H LEU A 11 0.643 -3.087 4.652 1.00 0.00 H ATOM 168 HA LEU A 11 2.728 -3.848 6.535 1.00 0.00 H ATOM 169 HB2 LEU A 11 1.634 -1.537 5.739 1.00 0.00 H ATOM 170 HB3 LEU A 11 0.619 -1.821 7.154 1.00 0.00 H ATOM 171 HG LEU A 11 3.210 -2.415 8.024 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.759 0.265 7.218 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.348 -0.654 5.769 1.00 0.00 H ATOM 174 HD13 LEU A 11 4.662 -1.196 6.813 1.00 0.00 H ATOM 175 HD21 LEU A 11 2.904 -0.425 9.413 1.00 0.00 H ATOM 176 HD22 LEU A 11 1.363 -1.270 9.258 1.00 0.00 H ATOM 177 HD23 LEU A 11 1.670 0.186 8.310 1.00 0.00 H HETATM 178 N NH2 A 12 1.460 -4.930 8.487 1.00 0.00 N HETATM 179 HN1 NH2 A 12 2.438 -4.907 8.553 1.00 0.00 H HETATM 180 HN2 NH2 A 12 0.935 -5.416 9.156 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 79 HETATM 1 C ACE A 1 -0.406 5.729 -3.980 1.00 0.00 C HETATM 2 O ACE A 1 -0.793 5.197 -2.955 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.192 7.137 -3.968 1.00 0.00 C HETATM 4 H1 ACE A 1 1.234 7.087 -4.247 1.00 0.00 H HETATM 5 H2 ACE A 1 0.103 7.557 -2.977 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.339 7.759 -4.672 1.00 0.00 H ATOM 7 N LEU A 2 -0.478 5.114 -5.129 1.00 0.00 N ATOM 8 CA LEU A 2 -1.042 3.739 -5.198 1.00 0.00 C ATOM 9 C LEU A 2 -0.100 2.775 -4.485 1.00 0.00 C ATOM 10 O LEU A 2 -0.522 1.871 -3.792 1.00 0.00 O ATOM 11 CB LEU A 2 -1.130 3.415 -6.688 1.00 0.00 C ATOM 12 CG LEU A 2 -2.542 3.720 -7.187 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.474 4.747 -8.317 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.187 2.434 -7.705 1.00 0.00 C ATOM 15 H LEU A 2 -0.151 5.551 -5.942 1.00 0.00 H ATOM 16 HA LEU A 2 -2.025 3.710 -4.753 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.416 4.019 -7.230 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.911 2.370 -6.844 1.00 0.00 H ATOM 19 HG LEU A 2 -3.132 4.119 -6.374 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.412 5.741 -7.898 1.00 0.00 H ATOM 21 HD12 LEU A 2 -3.361 4.669 -8.928 1.00 0.00 H ATOM 22 HD13 LEU A 2 -1.601 4.557 -8.925 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.418 1.785 -6.874 1.00 0.00 H ATOM 24 HD22 LEU A 2 -2.504 1.933 -8.374 1.00 0.00 H ATOM 25 HD23 LEU A 2 -4.096 2.676 -8.235 1.00 0.00 H ATOM 26 N VAL A 3 1.177 2.979 -4.634 1.00 0.00 N ATOM 27 CA VAL A 3 2.152 2.090 -3.945 1.00 0.00 C ATOM 28 C VAL A 3 2.092 2.361 -2.442 1.00 0.00 C ATOM 29 O VAL A 3 2.443 1.524 -1.634 1.00 0.00 O ATOM 30 CB VAL A 3 3.519 2.464 -4.517 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.569 2.090 -5.999 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.745 3.971 -4.364 1.00 0.00 C ATOM 33 H VAL A 3 1.493 3.727 -5.186 1.00 0.00 H ATOM 34 HA VAL A 3 1.931 1.054 -4.153 1.00 0.00 H ATOM 35 HB VAL A 3 4.291 1.926 -3.983 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.558 2.286 -6.388 1.00 0.00 H ATOM 37 HG12 VAL A 3 2.845 2.678 -6.542 1.00 0.00 H ATOM 38 HG13 VAL A 3 3.340 1.040 -6.112 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.192 4.496 -5.127 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.797 4.189 -4.467 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.404 4.288 -3.390 1.00 0.00 H ATOM 42 N GLY A 4 1.627 3.523 -2.063 1.00 0.00 N ATOM 43 CA GLY A 4 1.519 3.846 -0.615 1.00 0.00 C ATOM 44 C GLY A 4 0.315 3.100 -0.050 1.00 0.00 C ATOM 45 O GLY A 4 0.404 2.421 0.955 1.00 0.00 O ATOM 46 H GLY A 4 1.331 4.174 -2.732 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.420 3.531 -0.104 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.377 4.907 -0.486 1.00 0.00 H ATOM 49 N ARG A 5 -0.811 3.201 -0.706 1.00 0.00 N ATOM 50 CA ARG A 5 -2.017 2.474 -0.221 1.00 0.00 C ATOM 51 C ARG A 5 -1.746 0.972 -0.285 1.00 0.00 C ATOM 52 O ARG A 5 -2.053 0.230 0.629 1.00 0.00 O ATOM 53 CB ARG A 5 -3.141 2.864 -1.181 1.00 0.00 C ATOM 54 CG ARG A 5 -4.432 3.088 -0.393 1.00 0.00 C ATOM 55 CD ARG A 5 -5.601 3.264 -1.364 1.00 0.00 C ATOM 56 NE ARG A 5 -5.659 1.988 -2.131 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.540 1.076 -1.821 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.802 1.396 -1.716 1.00 0.00 N ATOM 59 NH2 ARG A 5 -6.160 -0.155 -1.612 1.00 0.00 N ATOM 60 H ARG A 5 -0.856 3.741 -1.526 1.00 0.00 H ATOM 61 HA ARG A 5 -2.263 2.774 0.786 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.873 3.773 -1.700 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.293 2.071 -1.899 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.617 2.235 0.245 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.334 3.976 0.214 1.00 0.00 H ATOM 66 HD2 ARG A 5 -6.523 3.420 -0.819 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.415 4.090 -2.034 1.00 0.00 H ATOM 68 HE ARG A 5 -5.033 1.832 -2.870 1.00 0.00 H ATOM 69 HH11 ARG A 5 -8.094 2.338 -1.876 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.476 0.697 -1.479 1.00 0.00 H ATOM 71 HH21 ARG A 5 -5.194 -0.398 -1.692 1.00 0.00 H ATOM 72 HH22 ARG A 5 -6.834 -0.853 -1.374 1.00 0.00 H ATOM 73 N GLN A 6 -1.149 0.519 -1.354 1.00 0.00 N ATOM 74 CA GLN A 6 -0.833 -0.930 -1.469 1.00 0.00 C ATOM 75 C GLN A 6 0.073 -1.332 -0.303 1.00 0.00 C ATOM 76 O GLN A 6 -0.175 -2.300 0.389 1.00 0.00 O ATOM 77 CB GLN A 6 -0.101 -1.076 -2.805 1.00 0.00 C ATOM 78 CG GLN A 6 -1.053 -0.727 -3.952 1.00 0.00 C ATOM 79 CD GLN A 6 -1.523 -2.013 -4.634 1.00 0.00 C ATOM 80 OE1 GLN A 6 -2.520 -2.589 -4.247 1.00 0.00 O ATOM 81 NE2 GLN A 6 -0.843 -2.492 -5.640 1.00 0.00 N ATOM 82 H GLN A 6 -0.894 1.135 -2.073 1.00 0.00 H ATOM 83 HA GLN A 6 -1.738 -1.519 -1.470 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.747 -0.407 -2.823 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.239 -2.094 -2.919 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.908 -0.192 -3.562 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.539 -0.108 -4.672 1.00 0.00 H ATOM 88 HE21 GLN A 6 -0.038 -2.028 -5.953 1.00 0.00 H ATOM 89 HE22 GLN A 6 -1.137 -3.315 -6.082 1.00 0.00 H ATOM 90 N LEU A 7 1.113 -0.577 -0.068 1.00 0.00 N ATOM 91 CA LEU A 7 2.019 -0.900 1.067 1.00 0.00 C ATOM 92 C LEU A 7 1.229 -0.828 2.373 1.00 0.00 C ATOM 93 O LEU A 7 1.466 -1.579 3.298 1.00 0.00 O ATOM 94 CB LEU A 7 3.110 0.172 1.030 1.00 0.00 C ATOM 95 CG LEU A 7 4.420 -0.410 1.564 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.169 -1.093 2.910 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.965 -1.435 0.567 1.00 0.00 C ATOM 98 H LEU A 7 1.287 0.209 -0.627 1.00 0.00 H ATOM 99 HA LEU A 7 2.451 -1.879 0.939 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.251 0.505 0.013 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.813 1.008 1.646 1.00 0.00 H ATOM 102 HG LEU A 7 5.139 0.385 1.694 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.111 -1.376 3.353 1.00 0.00 H ATOM 104 HD12 LEU A 7 3.564 -1.976 2.758 1.00 0.00 H ATOM 105 HD13 LEU A 7 3.651 -0.411 3.568 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.083 -0.970 -0.401 1.00 0.00 H ATOM 107 HD22 LEU A 7 4.276 -2.263 0.486 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.923 -1.798 0.911 1.00 0.00 H ATOM 109 N GLU A 8 0.269 0.057 2.442 1.00 0.00 N ATOM 110 CA GLU A 8 -0.556 0.160 3.675 1.00 0.00 C ATOM 111 C GLU A 8 -1.342 -1.137 3.837 1.00 0.00 C ATOM 112 O GLU A 8 -1.612 -1.588 4.933 1.00 0.00 O ATOM 113 CB GLU A 8 -1.497 1.343 3.433 1.00 0.00 C ATOM 114 CG GLU A 8 -2.601 1.357 4.495 1.00 0.00 C ATOM 115 CD GLU A 8 -3.960 1.539 3.815 1.00 0.00 C ATOM 116 OE1 GLU A 8 -4.103 2.492 3.069 1.00 0.00 O ATOM 117 OE2 GLU A 8 -4.832 0.719 4.053 1.00 0.00 O ATOM 118 H GLU A 8 0.082 0.639 1.677 1.00 0.00 H ATOM 119 HA GLU A 8 0.064 0.342 4.539 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.935 2.264 3.486 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.944 1.250 2.455 1.00 0.00 H ATOM 122 HG2 GLU A 8 -2.590 0.424 5.040 1.00 0.00 H ATOM 123 HG3 GLU A 8 -2.431 2.176 5.178 1.00 0.00 H ATOM 124 N GLU A 9 -1.688 -1.751 2.740 1.00 0.00 N ATOM 125 CA GLU A 9 -2.433 -3.038 2.809 1.00 0.00 C ATOM 126 C GLU A 9 -1.433 -4.170 3.038 1.00 0.00 C ATOM 127 O GLU A 9 -1.778 -5.245 3.488 1.00 0.00 O ATOM 128 CB GLU A 9 -3.118 -3.179 1.447 1.00 0.00 C ATOM 129 CG GLU A 9 -4.274 -4.176 1.555 1.00 0.00 C ATOM 130 CD GLU A 9 -4.225 -5.147 0.373 1.00 0.00 C ATOM 131 OE1 GLU A 9 -3.596 -4.813 -0.617 1.00 0.00 O ATOM 132 OE2 GLU A 9 -4.817 -6.209 0.479 1.00 0.00 O ATOM 133 H GLU A 9 -1.438 -1.373 1.869 1.00 0.00 H ATOM 134 HA GLU A 9 -3.167 -3.010 3.598 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.500 -2.217 1.137 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.404 -3.534 0.719 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.188 -4.728 2.479 1.00 0.00 H ATOM 138 HG3 GLU A 9 -5.212 -3.641 1.541 1.00 0.00 H ATOM 139 N PHE A 10 -0.186 -3.922 2.738 1.00 0.00 N ATOM 140 CA PHE A 10 0.862 -4.964 2.939 1.00 0.00 C ATOM 141 C PHE A 10 1.437 -4.863 4.355 1.00 0.00 C ATOM 142 O PHE A 10 2.077 -5.774 4.843 1.00 0.00 O ATOM 143 CB PHE A 10 1.938 -4.639 1.902 1.00 0.00 C ATOM 144 CG PHE A 10 3.164 -5.480 2.162 1.00 0.00 C ATOM 145 CD1 PHE A 10 4.012 -5.173 3.234 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.457 -6.564 1.327 1.00 0.00 C ATOM 147 CE1 PHE A 10 5.152 -5.952 3.468 1.00 0.00 C ATOM 148 CE2 PHE A 10 4.596 -7.342 1.562 1.00 0.00 C ATOM 149 CZ PHE A 10 5.443 -7.036 2.633 1.00 0.00 C ATOM 150 H PHE A 10 0.064 -3.041 2.383 1.00 0.00 H ATOM 151 HA PHE A 10 0.460 -5.949 2.760 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.560 -4.849 0.913 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.199 -3.594 1.972 1.00 0.00 H ATOM 154 HD1 PHE A 10 3.785 -4.337 3.878 1.00 0.00 H ATOM 155 HD2 PHE A 10 2.802 -6.800 0.500 1.00 0.00 H ATOM 156 HE1 PHE A 10 5.805 -5.715 4.295 1.00 0.00 H ATOM 157 HE2 PHE A 10 4.821 -8.179 0.917 1.00 0.00 H ATOM 158 HZ PHE A 10 6.323 -7.636 2.813 1.00 0.00 H ATOM 159 N LEU A 11 1.216 -3.759 5.016 1.00 0.00 N ATOM 160 CA LEU A 11 1.751 -3.594 6.399 1.00 0.00 C ATOM 161 C LEU A 11 0.859 -4.327 7.404 1.00 0.00 C ATOM 162 O LEU A 11 1.255 -5.320 7.982 1.00 0.00 O ATOM 163 CB LEU A 11 1.722 -2.086 6.655 1.00 0.00 C ATOM 164 CG LEU A 11 3.147 -1.578 6.883 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.660 -2.088 8.231 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.055 -2.091 5.764 1.00 0.00 C ATOM 167 H LEU A 11 0.698 -3.036 4.602 1.00 0.00 H ATOM 168 HA LEU A 11 2.764 -3.959 6.457 1.00 0.00 H ATOM 169 HB2 LEU A 11 1.293 -1.584 5.800 1.00 0.00 H ATOM 170 HB3 LEU A 11 1.125 -1.881 7.531 1.00 0.00 H ATOM 171 HG LEU A 11 3.148 -0.499 6.883 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.715 -2.305 8.156 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.127 -2.987 8.504 1.00 0.00 H ATOM 174 HD13 LEU A 11 3.501 -1.333 8.986 1.00 0.00 H ATOM 175 HD21 LEU A 11 4.533 -3.007 6.079 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.808 -1.349 5.542 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.464 -2.280 4.880 1.00 0.00 H HETATM 178 N NH2 A 12 -0.340 -3.872 7.641 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.662 -3.071 7.176 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.920 -4.330 8.285 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 80 HETATM 1 C ACE A 1 -0.603 5.429 -4.162 1.00 0.00 C HETATM 2 O ACE A 1 -0.996 4.922 -3.128 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.231 6.911 -4.228 1.00 0.00 C HETATM 4 H1 ACE A 1 0.412 7.158 -3.396 1.00 0.00 H HETATM 5 H2 ACE A 1 -1.129 7.510 -4.181 1.00 0.00 H HETATM 6 H3 ACE A 1 0.286 7.111 -5.155 1.00 0.00 H ATOM 7 N LEU A 2 -0.479 4.727 -5.256 1.00 0.00 N ATOM 8 CA LEU A 2 -0.824 3.278 -5.249 1.00 0.00 C ATOM 9 C LEU A 2 0.201 2.508 -4.418 1.00 0.00 C ATOM 10 O LEU A 2 -0.097 1.484 -3.837 1.00 0.00 O ATOM 11 CB LEU A 2 -0.780 2.839 -6.715 1.00 0.00 C ATOM 12 CG LEU A 2 0.518 3.326 -7.363 1.00 0.00 C ATOM 13 CD1 LEU A 2 1.241 2.145 -8.014 1.00 0.00 C ATOM 14 CD2 LEU A 2 0.192 4.373 -8.430 1.00 0.00 C ATOM 15 H LEU A 2 -0.156 5.151 -6.077 1.00 0.00 H ATOM 16 HA LEU A 2 -1.813 3.131 -4.848 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.825 1.761 -6.768 1.00 0.00 H ATOM 18 HB3 LEU A 2 -1.622 3.260 -7.241 1.00 0.00 H ATOM 19 HG LEU A 2 1.155 3.765 -6.609 1.00 0.00 H ATOM 20 HD11 LEU A 2 1.290 2.299 -9.081 1.00 0.00 H ATOM 21 HD12 LEU A 2 0.699 1.233 -7.806 1.00 0.00 H ATOM 22 HD13 LEU A 2 2.241 2.070 -7.614 1.00 0.00 H ATOM 23 HD21 LEU A 2 -0.822 4.722 -8.293 1.00 0.00 H ATOM 24 HD22 LEU A 2 0.290 3.931 -9.410 1.00 0.00 H ATOM 25 HD23 LEU A 2 0.875 5.204 -8.340 1.00 0.00 H ATOM 26 N VAL A 3 1.404 3.003 -4.348 1.00 0.00 N ATOM 27 CA VAL A 3 2.442 2.308 -3.538 1.00 0.00 C ATOM 28 C VAL A 3 2.199 2.595 -2.057 1.00 0.00 C ATOM 29 O VAL A 3 2.573 1.827 -1.191 1.00 0.00 O ATOM 30 CB VAL A 3 3.772 2.906 -3.996 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.916 2.276 -3.198 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.974 2.619 -5.485 1.00 0.00 C ATOM 33 H VAL A 3 1.620 3.838 -4.814 1.00 0.00 H ATOM 34 HA VAL A 3 2.424 1.246 -3.729 1.00 0.00 H ATOM 35 HB VAL A 3 3.764 3.973 -3.829 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.624 1.826 -3.878 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.520 1.519 -2.538 1.00 0.00 H ATOM 38 HG13 VAL A 3 5.411 3.038 -2.616 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.293 1.595 -5.616 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.726 3.285 -5.881 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.042 2.775 -6.011 1.00 0.00 H ATOM 42 N GLY A 4 1.559 3.696 -1.764 1.00 0.00 N ATOM 43 CA GLY A 4 1.275 4.039 -0.345 1.00 0.00 C ATOM 44 C GLY A 4 0.073 3.225 0.129 1.00 0.00 C ATOM 45 O GLY A 4 0.101 2.608 1.175 1.00 0.00 O ATOM 46 H GLY A 4 1.256 4.291 -2.483 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.136 3.806 0.265 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.048 5.091 -0.264 1.00 0.00 H ATOM 49 N ARG A 5 -0.980 3.209 -0.641 1.00 0.00 N ATOM 50 CA ARG A 5 -2.177 2.420 -0.237 1.00 0.00 C ATOM 51 C ARG A 5 -1.846 0.927 -0.293 1.00 0.00 C ATOM 52 O ARG A 5 -2.217 0.164 0.576 1.00 0.00 O ATOM 53 CB ARG A 5 -3.255 2.772 -1.263 1.00 0.00 C ATOM 54 CG ARG A 5 -2.820 2.294 -2.648 1.00 0.00 C ATOM 55 CD ARG A 5 -3.822 2.785 -3.695 1.00 0.00 C ATOM 56 NE ARG A 5 -5.138 2.252 -3.245 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.207 2.996 -3.331 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.823 3.123 -4.474 1.00 0.00 N ATOM 59 NH2 ARG A 5 -6.660 3.612 -2.275 1.00 0.00 N ATOM 60 H ARG A 5 -0.980 3.707 -1.488 1.00 0.00 H ATOM 61 HA ARG A 5 -2.499 2.700 0.753 1.00 0.00 H ATOM 62 HB2 ARG A 5 -4.183 2.291 -0.988 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.397 3.843 -1.282 1.00 0.00 H ATOM 64 HG2 ARG A 5 -1.840 2.689 -2.873 1.00 0.00 H ATOM 65 HG3 ARG A 5 -2.786 1.215 -2.663 1.00 0.00 H ATOM 66 HD2 ARG A 5 -3.839 3.867 -3.719 1.00 0.00 H ATOM 67 HD3 ARG A 5 -3.575 2.389 -4.668 1.00 0.00 H ATOM 68 HE ARG A 5 -5.202 1.344 -2.884 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.475 2.650 -5.285 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.642 3.692 -4.541 1.00 0.00 H ATOM 71 HH21 ARG A 5 -6.188 3.516 -1.398 1.00 0.00 H ATOM 72 HH22 ARG A 5 -7.479 4.182 -2.341 1.00 0.00 H ATOM 73 N GLN A 6 -1.136 0.509 -1.307 1.00 0.00 N ATOM 74 CA GLN A 6 -0.768 -0.931 -1.416 1.00 0.00 C ATOM 75 C GLN A 6 0.196 -1.305 -0.289 1.00 0.00 C ATOM 76 O GLN A 6 -0.009 -2.268 0.422 1.00 0.00 O ATOM 77 CB GLN A 6 -0.086 -1.067 -2.777 1.00 0.00 C ATOM 78 CG GLN A 6 -0.023 -2.545 -3.169 1.00 0.00 C ATOM 79 CD GLN A 6 0.897 -2.715 -4.380 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.942 -1.865 -5.248 1.00 0.00 O ATOM 81 NE2 GLN A 6 1.638 -3.785 -4.475 1.00 0.00 N ATOM 82 H GLN A 6 -0.840 1.144 -1.992 1.00 0.00 H ATOM 83 HA GLN A 6 -1.651 -1.550 -1.379 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.650 -0.520 -3.519 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.916 -0.669 -2.719 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.362 -3.121 -2.340 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.014 -2.893 -3.420 1.00 0.00 H ATOM 88 HE21 GLN A 6 1.602 -4.470 -3.775 1.00 0.00 H ATOM 89 HE22 GLN A 6 2.230 -3.904 -5.247 1.00 0.00 H ATOM 90 N LEU A 7 1.246 -0.547 -0.114 1.00 0.00 N ATOM 91 CA LEU A 7 2.215 -0.861 0.974 1.00 0.00 C ATOM 92 C LEU A 7 1.501 -0.820 2.327 1.00 0.00 C ATOM 93 O LEU A 7 1.642 -1.709 3.145 1.00 0.00 O ATOM 94 CB LEU A 7 3.277 0.235 0.889 1.00 0.00 C ATOM 95 CG LEU A 7 4.387 -0.050 1.903 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.727 -0.167 1.175 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.456 1.095 2.915 1.00 0.00 C ATOM 98 H LEU A 7 1.394 0.231 -0.695 1.00 0.00 H ATOM 99 HA LEU A 7 2.663 -1.828 0.812 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.694 0.255 -0.107 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.827 1.190 1.111 1.00 0.00 H ATOM 102 HG LEU A 7 4.175 -0.977 2.418 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.763 -1.101 0.634 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.532 -0.137 1.895 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.833 0.654 0.483 1.00 0.00 H ATOM 106 HD21 LEU A 7 3.868 0.843 3.786 1.00 0.00 H ATOM 107 HD22 LEU A 7 4.067 1.996 2.466 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.484 1.254 3.209 1.00 0.00 H ATOM 109 N GLU A 8 0.724 0.202 2.564 1.00 0.00 N ATOM 110 CA GLU A 8 -0.007 0.293 3.857 1.00 0.00 C ATOM 111 C GLU A 8 -1.037 -0.830 3.933 1.00 0.00 C ATOM 112 O GLU A 8 -1.448 -1.245 4.998 1.00 0.00 O ATOM 113 CB GLU A 8 -0.696 1.658 3.831 1.00 0.00 C ATOM 114 CG GLU A 8 0.306 2.745 4.224 1.00 0.00 C ATOM 115 CD GLU A 8 -0.439 3.922 4.857 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.659 3.914 4.820 1.00 0.00 O ATOM 117 OE2 GLU A 8 0.222 4.811 5.367 1.00 0.00 O ATOM 118 H GLU A 8 0.614 0.901 1.889 1.00 0.00 H ATOM 119 HA GLU A 8 0.679 0.236 4.686 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.069 1.853 2.837 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.519 1.660 4.531 1.00 0.00 H ATOM 122 HG2 GLU A 8 1.014 2.342 4.935 1.00 0.00 H ATOM 123 HG3 GLU A 8 0.832 3.085 3.345 1.00 0.00 H ATOM 124 N GLU A 9 -1.450 -1.331 2.801 1.00 0.00 N ATOM 125 CA GLU A 9 -2.446 -2.438 2.796 1.00 0.00 C ATOM 126 C GLU A 9 -1.724 -3.779 2.929 1.00 0.00 C ATOM 127 O GLU A 9 -2.311 -4.780 3.290 1.00 0.00 O ATOM 128 CB GLU A 9 -3.152 -2.334 1.444 1.00 0.00 C ATOM 129 CG GLU A 9 -4.377 -1.426 1.576 1.00 0.00 C ATOM 130 CD GLU A 9 -5.446 -1.862 0.573 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.085 -2.480 -0.415 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.605 -1.569 0.810 1.00 0.00 O ATOM 133 H GLU A 9 -1.096 -0.982 1.954 1.00 0.00 H ATOM 134 HA GLU A 9 -3.155 -2.311 3.597 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.472 -1.920 0.714 1.00 0.00 H ATOM 136 HB3 GLU A 9 -3.468 -3.316 1.125 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.771 -1.499 2.579 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.091 -0.405 1.375 1.00 0.00 H ATOM 139 N PHE A 10 -0.451 -3.799 2.649 1.00 0.00 N ATOM 140 CA PHE A 10 0.319 -5.068 2.769 1.00 0.00 C ATOM 141 C PHE A 10 1.051 -5.096 4.111 1.00 0.00 C ATOM 142 O PHE A 10 1.547 -6.119 4.541 1.00 0.00 O ATOM 143 CB PHE A 10 1.318 -5.039 1.611 1.00 0.00 C ATOM 144 CG PHE A 10 0.859 -5.980 0.523 1.00 0.00 C ATOM 145 CD1 PHE A 10 -0.439 -5.878 0.011 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.734 -6.953 0.027 1.00 0.00 C ATOM 147 CE1 PHE A 10 -0.863 -6.752 -0.999 1.00 0.00 C ATOM 148 CE2 PHE A 10 1.310 -7.827 -0.983 1.00 0.00 C ATOM 149 CZ PHE A 10 0.011 -7.726 -1.495 1.00 0.00 C ATOM 150 H PHE A 10 0.001 -2.976 2.368 1.00 0.00 H ATOM 151 HA PHE A 10 -0.336 -5.920 2.674 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.381 -4.035 1.217 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.290 -5.347 1.967 1.00 0.00 H ATOM 154 HD1 PHE A 10 -1.115 -5.128 0.394 1.00 0.00 H ATOM 155 HD2 PHE A 10 2.736 -7.031 0.422 1.00 0.00 H ATOM 156 HE1 PHE A 10 -1.866 -6.674 -1.394 1.00 0.00 H ATOM 157 HE2 PHE A 10 1.985 -8.578 -1.365 1.00 0.00 H ATOM 158 HZ PHE A 10 -0.316 -8.398 -2.273 1.00 0.00 H ATOM 159 N LEU A 11 1.119 -3.975 4.775 1.00 0.00 N ATOM 160 CA LEU A 11 1.817 -3.930 6.092 1.00 0.00 C ATOM 161 C LEU A 11 0.888 -3.345 7.161 1.00 0.00 C ATOM 162 O LEU A 11 1.302 -2.544 7.975 1.00 0.00 O ATOM 163 CB LEU A 11 3.021 -3.016 5.870 1.00 0.00 C ATOM 164 CG LEU A 11 4.301 -3.854 5.862 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.166 -3.455 4.665 1.00 0.00 C ATOM 166 CD2 LEU A 11 5.077 -3.608 7.157 1.00 0.00 C ATOM 167 H LEU A 11 0.710 -3.162 4.408 1.00 0.00 H ATOM 168 HA LEU A 11 2.147 -4.915 6.379 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.918 -2.507 4.923 1.00 0.00 H ATOM 170 HB3 LEU A 11 3.075 -2.289 6.666 1.00 0.00 H ATOM 171 HG LEU A 11 4.044 -4.902 5.788 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.936 -2.440 4.378 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.962 -4.118 3.838 1.00 0.00 H ATOM 174 HD13 LEU A 11 6.210 -3.527 4.935 1.00 0.00 H ATOM 175 HD21 LEU A 11 5.542 -2.633 7.118 1.00 0.00 H ATOM 176 HD22 LEU A 11 5.838 -4.366 7.271 1.00 0.00 H ATOM 177 HD23 LEU A 11 4.400 -3.650 7.997 1.00 0.00 H HETATM 178 N NH2 A 12 -0.362 -3.715 7.190 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.698 -4.361 6.534 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.966 -3.346 7.868 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 81 HETATM 1 C ACE A 1 -0.721 5.792 -3.898 1.00 0.00 C HETATM 2 O ACE A 1 -1.248 5.160 -3.002 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.216 7.218 -3.672 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.357 7.795 -4.574 1.00 0.00 H HETATM 5 H2 ACE A 1 0.834 7.194 -3.421 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.769 7.673 -2.864 1.00 0.00 H ATOM 7 N LEU A 2 -0.556 5.274 -5.085 1.00 0.00 N ATOM 8 CA LEU A 2 -1.020 3.887 -5.360 1.00 0.00 C ATOM 9 C LEU A 2 -0.091 2.898 -4.663 1.00 0.00 C ATOM 10 O LEU A 2 -0.526 1.963 -4.020 1.00 0.00 O ATOM 11 CB LEU A 2 -0.941 3.731 -6.881 1.00 0.00 C ATOM 12 CG LEU A 2 -2.331 3.415 -7.438 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.936 2.238 -6.671 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.233 4.641 -7.283 1.00 0.00 C ATOM 15 H LEU A 2 -0.119 5.793 -5.792 1.00 0.00 H ATOM 16 HA LEU A 2 -2.034 3.755 -5.023 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.578 4.650 -7.317 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.266 2.925 -7.125 1.00 0.00 H ATOM 19 HG LEU A 2 -2.248 3.157 -8.483 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.401 1.556 -7.367 1.00 0.00 H ATOM 21 HD12 LEU A 2 -3.678 2.605 -5.977 1.00 0.00 H ATOM 22 HD13 LEU A 2 -2.158 1.724 -6.127 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.038 5.336 -8.086 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.033 5.120 -6.336 1.00 0.00 H ATOM 25 HD23 LEU A 2 -4.269 4.333 -7.319 1.00 0.00 H ATOM 26 N VAL A 3 1.190 3.114 -4.769 1.00 0.00 N ATOM 27 CA VAL A 3 2.152 2.199 -4.093 1.00 0.00 C ATOM 28 C VAL A 3 2.047 2.398 -2.583 1.00 0.00 C ATOM 29 O VAL A 3 2.359 1.520 -1.801 1.00 0.00 O ATOM 30 CB VAL A 3 3.533 2.614 -4.602 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.538 1.498 -4.311 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.471 2.861 -6.112 1.00 0.00 C ATOM 33 H VAL A 3 1.517 3.885 -5.279 1.00 0.00 H ATOM 34 HA VAL A 3 1.949 1.173 -4.357 1.00 0.00 H ATOM 35 HB VAL A 3 3.846 3.518 -4.098 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.047 0.540 -4.395 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.929 1.615 -3.311 1.00 0.00 H ATOM 38 HG13 VAL A 3 5.349 1.550 -5.022 1.00 0.00 H ATOM 39 HG21 VAL A 3 2.762 2.179 -6.558 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.447 2.699 -6.543 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.158 3.878 -6.298 1.00 0.00 H ATOM 42 N GLY A 4 1.585 3.549 -2.171 1.00 0.00 N ATOM 43 CA GLY A 4 1.433 3.810 -0.715 1.00 0.00 C ATOM 44 C GLY A 4 0.238 3.008 -0.214 1.00 0.00 C ATOM 45 O GLY A 4 0.299 2.345 0.800 1.00 0.00 O ATOM 46 H GLY A 4 1.321 4.232 -2.822 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.328 3.502 -0.193 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.255 4.861 -0.550 1.00 0.00 H ATOM 49 N ARG A 5 -0.848 3.051 -0.937 1.00 0.00 N ATOM 50 CA ARG A 5 -2.045 2.272 -0.520 1.00 0.00 C ATOM 51 C ARG A 5 -1.684 0.785 -0.478 1.00 0.00 C ATOM 52 O ARG A 5 -2.062 0.064 0.426 1.00 0.00 O ATOM 53 CB ARG A 5 -3.090 2.543 -1.604 1.00 0.00 C ATOM 54 CG ARG A 5 -4.376 3.064 -0.960 1.00 0.00 C ATOM 55 CD ARG A 5 -4.191 4.529 -0.557 1.00 0.00 C ATOM 56 NE ARG A 5 -3.666 5.202 -1.779 1.00 0.00 N ATOM 57 CZ ARG A 5 -4.492 5.721 -2.645 1.00 0.00 C ATOM 58 NH1 ARG A 5 -5.542 6.380 -2.232 1.00 0.00 N ATOM 59 NH2 ARG A 5 -4.269 5.584 -3.924 1.00 0.00 N ATOM 60 H ARG A 5 -0.870 3.583 -1.761 1.00 0.00 H ATOM 61 HA ARG A 5 -2.404 2.607 0.440 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.708 3.280 -2.295 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.302 1.627 -2.136 1.00 0.00 H ATOM 64 HG2 ARG A 5 -5.189 2.983 -1.666 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.602 2.478 -0.082 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.139 4.959 -0.266 1.00 0.00 H ATOM 67 HD3 ARG A 5 -3.476 4.611 0.245 1.00 0.00 H ATOM 68 HE ARG A 5 -2.699 5.254 -1.932 1.00 0.00 H ATOM 69 HH11 ARG A 5 -5.712 6.485 -1.252 1.00 0.00 H ATOM 70 HH12 ARG A 5 -6.175 6.779 -2.897 1.00 0.00 H ATOM 71 HH21 ARG A 5 -3.465 5.079 -4.239 1.00 0.00 H ATOM 72 HH22 ARG A 5 -4.901 5.984 -4.588 1.00 0.00 H ATOM 73 N GLN A 6 -0.943 0.326 -1.451 1.00 0.00 N ATOM 74 CA GLN A 6 -0.542 -1.109 -1.477 1.00 0.00 C ATOM 75 C GLN A 6 0.307 -1.439 -0.247 1.00 0.00 C ATOM 76 O GLN A 6 -0.041 -2.289 0.549 1.00 0.00 O ATOM 77 CB GLN A 6 0.286 -1.266 -2.753 1.00 0.00 C ATOM 78 CG GLN A 6 -0.646 -1.335 -3.964 1.00 0.00 C ATOM 79 CD GLN A 6 -0.153 -2.421 -4.922 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.051 -2.169 -6.093 1.00 0.00 O ATOM 81 NE2 GLN A 6 0.052 -3.628 -4.470 1.00 0.00 N ATOM 82 H GLN A 6 -0.646 0.930 -2.165 1.00 0.00 H ATOM 83 HA GLN A 6 -1.412 -1.744 -1.520 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.949 -0.418 -2.857 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.866 -2.173 -2.695 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.648 -1.572 -3.633 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.648 -0.384 -4.472 1.00 0.00 H ATOM 88 HE21 GLN A 6 -0.109 -3.832 -3.525 1.00 0.00 H ATOM 89 HE22 GLN A 6 0.368 -4.331 -5.076 1.00 0.00 H ATOM 90 N LEU A 7 1.421 -0.776 -0.088 1.00 0.00 N ATOM 91 CA LEU A 7 2.289 -1.058 1.091 1.00 0.00 C ATOM 92 C LEU A 7 1.482 -0.921 2.385 1.00 0.00 C ATOM 93 O LEU A 7 1.552 -1.759 3.264 1.00 0.00 O ATOM 94 CB LEU A 7 3.394 -0.004 1.032 1.00 0.00 C ATOM 95 CG LEU A 7 4.239 -0.226 -0.222 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.168 0.971 -0.431 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.076 -1.497 -0.055 1.00 0.00 C ATOM 98 H LEU A 7 1.686 -0.094 -0.743 1.00 0.00 H ATOM 99 HA LEU A 7 2.716 -2.045 1.016 1.00 0.00 H ATOM 100 HB2 LEU A 7 2.952 0.982 1.000 1.00 0.00 H ATOM 101 HB3 LEU A 7 4.021 -0.090 1.907 1.00 0.00 H ATOM 102 HG LEU A 7 3.590 -0.331 -1.080 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.781 0.805 -1.304 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.800 1.091 0.436 1.00 0.00 H ATOM 105 HD13 LEU A 7 4.577 1.864 -0.571 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.914 -1.471 -0.735 1.00 0.00 H ATOM 107 HD22 LEU A 7 4.465 -2.362 -0.270 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.439 -1.557 0.961 1.00 0.00 H ATOM 109 N GLU A 8 0.707 0.122 2.505 1.00 0.00 N ATOM 110 CA GLU A 8 -0.109 0.296 3.736 1.00 0.00 C ATOM 111 C GLU A 8 -1.069 -0.879 3.862 1.00 0.00 C ATOM 112 O GLU A 8 -1.460 -1.270 4.943 1.00 0.00 O ATOM 113 CB GLU A 8 -0.872 1.606 3.534 1.00 0.00 C ATOM 114 CG GLU A 8 -1.813 1.837 4.715 1.00 0.00 C ATOM 115 CD GLU A 8 -2.551 3.163 4.527 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.911 4.197 4.644 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.742 3.124 4.268 1.00 0.00 O ATOM 118 H GLU A 8 0.651 0.777 1.782 1.00 0.00 H ATOM 119 HA GLU A 8 0.526 0.362 4.604 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.169 2.424 3.467 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.447 1.550 2.622 1.00 0.00 H ATOM 122 HG2 GLU A 8 -2.530 1.029 4.770 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.241 1.871 5.630 1.00 0.00 H ATOM 124 N GLU A 9 -1.432 -1.458 2.753 1.00 0.00 N ATOM 125 CA GLU A 9 -2.351 -2.630 2.794 1.00 0.00 C ATOM 126 C GLU A 9 -1.542 -3.894 3.082 1.00 0.00 C ATOM 127 O GLU A 9 -2.064 -4.890 3.541 1.00 0.00 O ATOM 128 CB GLU A 9 -2.980 -2.697 1.403 1.00 0.00 C ATOM 129 CG GLU A 9 -4.451 -2.288 1.486 1.00 0.00 C ATOM 130 CD GLU A 9 -5.246 -3.377 2.209 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.865 -4.531 2.101 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.222 -3.039 2.858 1.00 0.00 O ATOM 133 H GLU A 9 -1.087 -1.129 1.894 1.00 0.00 H ATOM 134 HA GLU A 9 -3.113 -2.488 3.543 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.456 -2.027 0.737 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.911 -3.707 1.026 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.535 -1.358 2.031 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.846 -2.159 0.491 1.00 0.00 H ATOM 139 N PHE A 10 -0.264 -3.851 2.820 1.00 0.00 N ATOM 140 CA PHE A 10 0.595 -5.040 3.083 1.00 0.00 C ATOM 141 C PHE A 10 1.040 -5.040 4.545 1.00 0.00 C ATOM 142 O PHE A 10 1.412 -6.057 5.093 1.00 0.00 O ATOM 143 CB PHE A 10 1.800 -4.868 2.158 1.00 0.00 C ATOM 144 CG PHE A 10 2.353 -6.224 1.785 1.00 0.00 C ATOM 145 CD1 PHE A 10 3.337 -6.823 2.582 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.884 -6.879 0.640 1.00 0.00 C ATOM 147 CE1 PHE A 10 3.850 -8.078 2.234 1.00 0.00 C ATOM 148 CE2 PHE A 10 2.398 -8.136 0.293 1.00 0.00 C ATOM 149 CZ PHE A 10 3.381 -8.733 1.089 1.00 0.00 C ATOM 150 H PHE A 10 0.134 -3.031 2.458 1.00 0.00 H ATOM 151 HA PHE A 10 0.068 -5.950 2.843 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.494 -4.345 1.264 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.563 -4.297 2.665 1.00 0.00 H ATOM 154 HD1 PHE A 10 3.698 -6.317 3.465 1.00 0.00 H ATOM 155 HD2 PHE A 10 1.125 -6.417 0.026 1.00 0.00 H ATOM 156 HE1 PHE A 10 4.609 -8.540 2.848 1.00 0.00 H ATOM 157 HE2 PHE A 10 2.037 -8.641 -0.590 1.00 0.00 H ATOM 158 HZ PHE A 10 3.778 -9.702 0.820 1.00 0.00 H ATOM 159 N LEU A 11 1.005 -3.899 5.179 1.00 0.00 N ATOM 160 CA LEU A 11 1.428 -3.826 6.607 1.00 0.00 C ATOM 161 C LEU A 11 0.226 -3.505 7.501 1.00 0.00 C ATOM 162 O LEU A 11 -0.592 -2.671 7.170 1.00 0.00 O ATOM 163 CB LEU A 11 2.453 -2.692 6.659 1.00 0.00 C ATOM 164 CG LEU A 11 3.544 -2.941 5.617 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.024 -1.604 5.052 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.721 -3.664 6.274 1.00 0.00 C ATOM 167 H LEU A 11 0.701 -3.089 4.713 1.00 0.00 H ATOM 168 HA LEU A 11 1.888 -4.753 6.912 1.00 0.00 H ATOM 169 HB2 LEU A 11 1.960 -1.753 6.449 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.897 -2.654 7.642 1.00 0.00 H ATOM 171 HG LEU A 11 3.147 -3.548 4.816 1.00 0.00 H ATOM 172 HD11 LEU A 11 5.068 -1.679 4.786 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.897 -0.833 5.799 1.00 0.00 H ATOM 174 HD13 LEU A 11 3.445 -1.354 4.175 1.00 0.00 H ATOM 175 HD21 LEU A 11 4.421 -4.027 7.247 1.00 0.00 H ATOM 176 HD22 LEU A 11 5.547 -2.979 6.385 1.00 0.00 H ATOM 177 HD23 LEU A 11 5.023 -4.496 5.656 1.00 0.00 H HETATM 178 N NH2 A 12 0.085 -4.141 8.633 1.00 0.00 N HETATM 179 HN1 NH2 A 12 0.743 -4.814 8.903 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.680 -3.944 9.212 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 82 HETATM 1 C ACE A 1 -0.678 5.558 -4.219 1.00 0.00 C HETATM 2 O ACE A 1 -1.118 5.038 -3.210 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.264 7.031 -4.238 1.00 0.00 C HETATM 4 H1 ACE A 1 0.301 7.258 -3.347 1.00 0.00 H HETATM 5 H2 ACE A 1 -1.147 7.652 -4.274 1.00 0.00 H HETATM 6 H3 ACE A 1 0.345 7.221 -5.110 1.00 0.00 H ATOM 7 N LEU A 2 -0.534 4.877 -5.323 1.00 0.00 N ATOM 8 CA LEU A 2 -0.914 3.439 -5.363 1.00 0.00 C ATOM 9 C LEU A 2 0.078 2.627 -4.535 1.00 0.00 C ATOM 10 O LEU A 2 -0.288 1.707 -3.830 1.00 0.00 O ATOM 11 CB LEU A 2 -0.836 3.049 -6.839 1.00 0.00 C ATOM 12 CG LEU A 2 -2.222 3.162 -7.474 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.586 4.639 -7.645 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.207 2.479 -8.843 1.00 0.00 C ATOM 15 H LEU A 2 -0.170 5.310 -6.123 1.00 0.00 H ATOM 16 HA LEU A 2 -1.917 3.303 -4.993 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.151 3.709 -7.349 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.486 2.030 -6.923 1.00 0.00 H ATOM 19 HG LEU A 2 -2.951 2.682 -6.838 1.00 0.00 H ATOM 20 HD11 LEU A 2 -1.709 5.194 -7.938 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.963 5.028 -6.710 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.345 4.738 -8.407 1.00 0.00 H ATOM 23 HD21 LEU A 2 -2.369 3.216 -9.615 1.00 0.00 H ATOM 24 HD22 LEU A 2 -2.990 1.736 -8.884 1.00 0.00 H ATOM 25 HD23 LEU A 2 -1.250 2.002 -8.996 1.00 0.00 H ATOM 26 N VAL A 3 1.331 2.973 -4.607 1.00 0.00 N ATOM 27 CA VAL A 3 2.350 2.234 -3.812 1.00 0.00 C ATOM 28 C VAL A 3 2.152 2.536 -2.327 1.00 0.00 C ATOM 29 O VAL A 3 2.503 1.753 -1.466 1.00 0.00 O ATOM 30 CB VAL A 3 3.698 2.772 -4.294 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.737 2.766 -5.824 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.888 4.202 -3.784 1.00 0.00 C ATOM 33 H VAL A 3 1.600 3.727 -5.174 1.00 0.00 H ATOM 34 HA VAL A 3 2.283 1.174 -3.999 1.00 0.00 H ATOM 35 HB VAL A 3 4.490 2.145 -3.913 1.00 0.00 H ATOM 36 HG11 VAL A 3 3.806 3.781 -6.187 1.00 0.00 H ATOM 37 HG12 VAL A 3 2.836 2.308 -6.206 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.596 2.204 -6.160 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.768 4.221 -2.711 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.151 4.848 -4.240 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.878 4.548 -4.043 1.00 0.00 H ATOM 42 N GLY A 4 1.578 3.670 -2.026 1.00 0.00 N ATOM 43 CA GLY A 4 1.343 4.033 -0.602 1.00 0.00 C ATOM 44 C GLY A 4 0.154 3.235 -0.077 1.00 0.00 C ATOM 45 O GLY A 4 0.212 2.638 0.979 1.00 0.00 O ATOM 46 H GLY A 4 1.293 4.279 -2.740 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.224 3.801 -0.019 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.126 5.088 -0.527 1.00 0.00 H ATOM 49 N ARG A 5 -0.922 3.211 -0.814 1.00 0.00 N ATOM 50 CA ARG A 5 -2.111 2.436 -0.357 1.00 0.00 C ATOM 51 C ARG A 5 -1.755 0.950 -0.271 1.00 0.00 C ATOM 52 O ARG A 5 -2.102 0.268 0.674 1.00 0.00 O ATOM 53 CB ARG A 5 -3.178 2.672 -1.428 1.00 0.00 C ATOM 54 CG ARG A 5 -4.290 1.632 -1.275 1.00 0.00 C ATOM 55 CD ARG A 5 -5.654 2.315 -1.404 1.00 0.00 C ATOM 56 NE ARG A 5 -5.598 3.040 -2.704 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.684 3.551 -3.217 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.856 3.176 -2.781 1.00 0.00 N ATOM 59 NH2 ARG A 5 -6.598 4.437 -4.171 1.00 0.00 N ATOM 60 H ARG A 5 -0.944 3.693 -1.669 1.00 0.00 H ATOM 61 HA ARG A 5 -2.456 2.799 0.598 1.00 0.00 H ATOM 62 HB2 ARG A 5 -3.591 3.663 -1.311 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.733 2.579 -2.406 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.188 0.882 -2.046 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.215 1.164 -0.305 1.00 0.00 H ATOM 66 HD2 ARG A 5 -6.442 1.575 -1.414 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.802 3.014 -0.596 1.00 0.00 H ATOM 68 HE ARG A 5 -4.744 3.135 -3.175 1.00 0.00 H ATOM 69 HH11 ARG A 5 -7.926 2.496 -2.051 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.687 3.568 -3.177 1.00 0.00 H ATOM 71 HH21 ARG A 5 -5.701 4.724 -4.507 1.00 0.00 H ATOM 72 HH22 ARG A 5 -7.428 4.831 -4.566 1.00 0.00 H ATOM 73 N GLN A 6 -1.055 0.447 -1.250 1.00 0.00 N ATOM 74 CA GLN A 6 -0.666 -0.992 -1.229 1.00 0.00 C ATOM 75 C GLN A 6 0.274 -1.263 -0.051 1.00 0.00 C ATOM 76 O GLN A 6 0.069 -2.180 0.718 1.00 0.00 O ATOM 77 CB GLN A 6 0.054 -1.228 -2.556 1.00 0.00 C ATOM 78 CG GLN A 6 -0.977 -1.482 -3.660 1.00 0.00 C ATOM 79 CD GLN A 6 -0.526 -2.664 -4.517 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.610 -2.722 -4.946 1.00 0.00 O ATOM 81 NE2 GLN A 6 -1.374 -3.619 -4.789 1.00 0.00 N ATOM 82 H GLN A 6 -0.781 1.015 -2.000 1.00 0.00 H ATOM 83 HA GLN A 6 -1.542 -1.619 -1.166 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.642 -0.356 -2.805 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.702 -2.086 -2.468 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.935 -1.704 -3.212 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.064 -0.603 -4.280 1.00 0.00 H ATOM 88 HE21 GLN A 6 -2.290 -3.573 -4.445 1.00 0.00 H ATOM 89 HE22 GLN A 6 -1.094 -4.382 -5.338 1.00 0.00 H ATOM 90 N LEU A 7 1.302 -0.471 0.099 1.00 0.00 N ATOM 91 CA LEU A 7 2.247 -0.688 1.231 1.00 0.00 C ATOM 92 C LEU A 7 1.476 -0.752 2.552 1.00 0.00 C ATOM 93 O LEU A 7 1.548 -1.724 3.284 1.00 0.00 O ATOM 94 CB LEU A 7 3.173 0.529 1.208 1.00 0.00 C ATOM 95 CG LEU A 7 4.464 0.209 1.964 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.557 -0.173 0.964 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.906 1.443 2.755 1.00 0.00 C ATOM 98 H LEU A 7 1.451 0.267 -0.531 1.00 0.00 H ATOM 99 HA LEU A 7 2.816 -1.590 1.082 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.409 0.782 0.185 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.681 1.364 1.682 1.00 0.00 H ATOM 102 HG LEU A 7 4.291 -0.614 2.642 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.454 -1.215 0.698 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.526 -0.009 1.411 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.462 0.436 0.077 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.249 2.205 2.071 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.709 1.173 3.425 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.072 1.822 3.326 1.00 0.00 H ATOM 109 N GLU A 8 0.727 0.271 2.855 1.00 0.00 N ATOM 110 CA GLU A 8 -0.058 0.268 4.117 1.00 0.00 C ATOM 111 C GLU A 8 -1.058 -0.882 4.080 1.00 0.00 C ATOM 112 O GLU A 8 -1.500 -1.373 5.100 1.00 0.00 O ATOM 113 CB GLU A 8 -0.784 1.613 4.136 1.00 0.00 C ATOM 114 CG GLU A 8 -0.837 2.146 5.570 1.00 0.00 C ATOM 115 CD GLU A 8 0.567 2.559 6.013 1.00 0.00 C ATOM 116 OE1 GLU A 8 1.371 2.876 5.150 1.00 0.00 O ATOM 117 OE2 GLU A 8 0.816 2.552 7.207 1.00 0.00 O ATOM 118 H GLU A 8 0.672 1.035 2.246 1.00 0.00 H ATOM 119 HA GLU A 8 0.594 0.182 4.973 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.257 2.316 3.508 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.790 1.483 3.765 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.495 3.002 5.610 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.207 1.374 6.228 1.00 0.00 H ATOM 124 N GLU A 9 -1.410 -1.318 2.904 1.00 0.00 N ATOM 125 CA GLU A 9 -2.378 -2.443 2.789 1.00 0.00 C ATOM 126 C GLU A 9 -1.633 -3.776 2.840 1.00 0.00 C ATOM 127 O GLU A 9 -2.215 -4.818 3.070 1.00 0.00 O ATOM 128 CB GLU A 9 -3.055 -2.255 1.431 1.00 0.00 C ATOM 129 CG GLU A 9 -4.023 -3.412 1.176 1.00 0.00 C ATOM 130 CD GLU A 9 -4.953 -3.576 2.381 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.513 -4.134 3.373 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.089 -3.141 2.289 1.00 0.00 O ATOM 133 H GLU A 9 -1.032 -0.903 2.096 1.00 0.00 H ATOM 134 HA GLU A 9 -3.109 -2.393 3.579 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.600 -1.321 1.427 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.306 -2.237 0.654 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.609 -3.204 0.293 1.00 0.00 H ATOM 138 HG3 GLU A 9 -3.463 -4.324 1.030 1.00 0.00 H ATOM 139 N PHE A 10 -0.345 -3.749 2.639 1.00 0.00 N ATOM 140 CA PHE A 10 0.442 -5.011 2.688 1.00 0.00 C ATOM 141 C PHE A 10 1.026 -5.201 4.088 1.00 0.00 C ATOM 142 O PHE A 10 1.436 -6.284 4.459 1.00 0.00 O ATOM 143 CB PHE A 10 1.559 -4.829 1.660 1.00 0.00 C ATOM 144 CG PHE A 10 2.108 -6.180 1.273 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.391 -7.004 0.398 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.334 -6.611 1.793 1.00 0.00 C ATOM 147 CE1 PHE A 10 1.900 -8.257 0.041 1.00 0.00 C ATOM 148 CE2 PHE A 10 3.844 -7.865 1.437 1.00 0.00 C ATOM 149 CZ PHE A 10 3.126 -8.688 0.561 1.00 0.00 C ATOM 150 H PHE A 10 0.106 -2.897 2.465 1.00 0.00 H ATOM 151 HA PHE A 10 -0.176 -5.853 2.417 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.165 -4.334 0.783 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.348 -4.230 2.088 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.445 -6.670 -0.003 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.889 -5.976 2.469 1.00 0.00 H ATOM 156 HE1 PHE A 10 1.346 -8.893 -0.634 1.00 0.00 H ATOM 157 HE2 PHE A 10 4.790 -8.198 1.838 1.00 0.00 H ATOM 158 HZ PHE A 10 3.519 -9.657 0.286 1.00 0.00 H ATOM 159 N LEU A 11 1.066 -4.157 4.871 1.00 0.00 N ATOM 160 CA LEU A 11 1.622 -4.285 6.250 1.00 0.00 C ATOM 161 C LEU A 11 0.505 -4.608 7.245 1.00 0.00 C ATOM 162 O LEU A 11 0.599 -5.555 8.002 1.00 0.00 O ATOM 163 CB LEU A 11 2.241 -2.923 6.565 1.00 0.00 C ATOM 164 CG LEU A 11 2.673 -2.891 8.033 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.132 -2.438 8.129 1.00 0.00 C ATOM 166 CD2 LEU A 11 1.786 -1.913 8.804 1.00 0.00 C ATOM 167 H LEU A 11 0.728 -3.289 4.552 1.00 0.00 H ATOM 168 HA LEU A 11 2.383 -5.049 6.277 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.102 -2.762 5.931 1.00 0.00 H ATOM 170 HB3 LEU A 11 1.514 -2.145 6.390 1.00 0.00 H ATOM 171 HG LEU A 11 2.576 -3.881 8.456 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.245 -1.765 8.966 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.412 -1.929 7.218 1.00 0.00 H ATOM 174 HD13 LEU A 11 4.768 -3.300 8.270 1.00 0.00 H ATOM 175 HD21 LEU A 11 1.426 -1.146 8.133 1.00 0.00 H ATOM 176 HD22 LEU A 11 2.359 -1.456 9.598 1.00 0.00 H ATOM 177 HD23 LEU A 11 0.947 -2.446 9.226 1.00 0.00 H HETATM 178 N NH2 A 12 -0.559 -3.853 7.280 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.637 -3.090 6.671 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -1.279 -4.051 7.915 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 83 HETATM 1 C ACE A 1 -0.851 5.557 -4.035 1.00 0.00 C HETATM 2 O ACE A 1 -1.420 4.993 -3.121 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.420 7.020 -3.920 1.00 0.00 C HETATM 4 H1 ACE A 1 -1.284 7.635 -3.713 1.00 0.00 H HETATM 5 H2 ACE A 1 0.033 7.336 -4.848 1.00 0.00 H HETATM 6 H3 ACE A 1 0.296 7.121 -3.118 1.00 0.00 H ATOM 7 N LEU A 2 -0.579 4.935 -5.149 1.00 0.00 N ATOM 8 CA LEU A 2 -0.969 3.508 -5.318 1.00 0.00 C ATOM 9 C LEU A 2 -0.001 2.618 -4.546 1.00 0.00 C ATOM 10 O LEU A 2 -0.401 1.760 -3.784 1.00 0.00 O ATOM 11 CB LEU A 2 -0.867 3.240 -6.820 1.00 0.00 C ATOM 12 CG LEU A 2 -2.254 3.345 -7.456 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.138 4.032 -8.819 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.835 1.943 -7.642 1.00 0.00 C ATOM 15 H LEU A 2 -0.113 5.402 -5.872 1.00 0.00 H ATOM 16 HA LEU A 2 -1.978 3.350 -4.976 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.209 3.967 -7.271 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.474 2.248 -6.982 1.00 0.00 H ATOM 19 HG LEU A 2 -2.902 3.924 -6.813 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.275 3.302 -9.602 1.00 0.00 H ATOM 21 HD12 LEU A 2 -1.161 4.482 -8.912 1.00 0.00 H ATOM 22 HD13 LEU A 2 -2.896 4.798 -8.902 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.898 1.966 -7.454 1.00 0.00 H ATOM 24 HD22 LEU A 2 -2.360 1.263 -6.951 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.656 1.611 -8.655 1.00 0.00 H ATOM 26 N VAL A 3 1.272 2.828 -4.724 1.00 0.00 N ATOM 27 CA VAL A 3 2.265 2.003 -3.985 1.00 0.00 C ATOM 28 C VAL A 3 2.201 2.365 -2.499 1.00 0.00 C ATOM 29 O VAL A 3 2.561 1.585 -1.638 1.00 0.00 O ATOM 30 CB VAL A 3 3.623 2.376 -4.585 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.088 3.721 -4.024 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.647 1.295 -4.231 1.00 0.00 C ATOM 33 H VAL A 3 1.573 3.536 -5.334 1.00 0.00 H ATOM 34 HA VAL A 3 2.069 0.952 -4.129 1.00 0.00 H ATOM 35 HB VAL A 3 3.532 2.448 -5.660 1.00 0.00 H ATOM 36 HG11 VAL A 3 3.367 4.485 -4.275 1.00 0.00 H ATOM 37 HG12 VAL A 3 5.048 3.978 -4.449 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.178 3.651 -2.950 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.985 1.438 -3.215 1.00 0.00 H ATOM 40 HG22 VAL A 3 5.490 1.361 -4.902 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.189 0.321 -4.323 1.00 0.00 H ATOM 42 N GLY A 4 1.726 3.544 -2.199 1.00 0.00 N ATOM 43 CA GLY A 4 1.618 3.964 -0.775 1.00 0.00 C ATOM 44 C GLY A 4 0.422 3.252 -0.153 1.00 0.00 C ATOM 45 O GLY A 4 0.513 2.677 0.914 1.00 0.00 O ATOM 46 H GLY A 4 1.427 4.148 -2.913 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.522 3.693 -0.248 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.469 5.031 -0.719 1.00 0.00 H ATOM 49 N ARG A 5 -0.697 3.265 -0.825 1.00 0.00 N ATOM 50 CA ARG A 5 -1.888 2.565 -0.277 1.00 0.00 C ATOM 51 C ARG A 5 -1.609 1.061 -0.248 1.00 0.00 C ATOM 52 O ARG A 5 -2.005 0.361 0.663 1.00 0.00 O ATOM 53 CB ARG A 5 -3.029 2.896 -1.239 1.00 0.00 C ATOM 54 CG ARG A 5 -3.695 4.202 -0.799 1.00 0.00 C ATOM 55 CD ARG A 5 -4.462 4.808 -1.974 1.00 0.00 C ATOM 56 NE ARG A 5 -5.730 5.313 -1.380 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.398 6.258 -1.981 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.132 5.978 -3.021 1.00 0.00 N ATOM 59 NH2 ARG A 5 -6.330 7.484 -1.541 1.00 0.00 N ATOM 60 H ARG A 5 -0.746 3.719 -1.695 1.00 0.00 H ATOM 61 HA ARG A 5 -2.117 2.927 0.714 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.635 3.010 -2.240 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.756 2.100 -1.225 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.378 4.000 0.013 1.00 0.00 H ATOM 65 HG3 ARG A 5 -2.940 4.898 -0.469 1.00 0.00 H ATOM 66 HD2 ARG A 5 -3.899 5.622 -2.410 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.676 4.054 -2.716 1.00 0.00 H ATOM 68 HE ARG A 5 -6.061 4.936 -0.538 1.00 0.00 H ATOM 69 HH11 ARG A 5 -7.183 5.037 -3.360 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.646 6.702 -3.482 1.00 0.00 H ATOM 71 HH21 ARG A 5 -5.765 7.697 -0.744 1.00 0.00 H ATOM 72 HH22 ARG A 5 -6.843 8.209 -2.000 1.00 0.00 H ATOM 73 N GLN A 6 -0.900 0.568 -1.229 1.00 0.00 N ATOM 74 CA GLN A 6 -0.562 -0.883 -1.251 1.00 0.00 C ATOM 75 C GLN A 6 0.320 -1.204 -0.046 1.00 0.00 C ATOM 76 O GLN A 6 0.076 -2.141 0.688 1.00 0.00 O ATOM 77 CB GLN A 6 0.219 -1.094 -2.549 1.00 0.00 C ATOM 78 CG GLN A 6 -0.720 -1.618 -3.638 1.00 0.00 C ATOM 79 CD GLN A 6 -1.395 -2.904 -3.157 1.00 0.00 C ATOM 80 OE1 GLN A 6 -2.452 -3.262 -3.635 1.00 0.00 O ATOM 81 NE2 GLN A 6 -0.827 -3.617 -2.222 1.00 0.00 N ATOM 82 H GLN A 6 -0.574 1.157 -1.942 1.00 0.00 H ATOM 83 HA GLN A 6 -1.456 -1.486 -1.246 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.650 -0.156 -2.867 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.007 -1.813 -2.381 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.472 -0.873 -3.853 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.152 -1.826 -4.532 1.00 0.00 H ATOM 88 HE21 GLN A 6 0.024 -3.326 -1.833 1.00 0.00 H ATOM 89 HE22 GLN A 6 -1.250 -4.445 -1.912 1.00 0.00 H ATOM 90 N LEU A 7 1.338 -0.415 0.165 1.00 0.00 N ATOM 91 CA LEU A 7 2.239 -0.648 1.327 1.00 0.00 C ATOM 92 C LEU A 7 1.398 -0.732 2.603 1.00 0.00 C ATOM 93 O LEU A 7 1.523 -1.656 3.384 1.00 0.00 O ATOM 94 CB LEU A 7 3.193 0.569 1.306 1.00 0.00 C ATOM 95 CG LEU A 7 3.417 1.174 2.707 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.733 0.655 3.288 1.00 0.00 C ATOM 97 CD2 LEU A 7 3.488 2.698 2.582 1.00 0.00 C ATOM 98 H LEU A 7 1.505 0.340 -0.438 1.00 0.00 H ATOM 99 HA LEU A 7 2.798 -1.559 1.187 1.00 0.00 H ATOM 100 HB2 LEU A 7 4.146 0.257 0.909 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.777 1.327 0.659 1.00 0.00 H ATOM 102 HG LEU A 7 2.608 0.910 3.366 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.656 -0.408 3.462 1.00 0.00 H ATOM 104 HD12 LEU A 7 4.938 1.159 4.220 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.536 0.848 2.591 1.00 0.00 H ATOM 106 HD21 LEU A 7 3.121 2.997 1.611 1.00 0.00 H ATOM 107 HD22 LEU A 7 4.513 3.021 2.695 1.00 0.00 H ATOM 108 HD23 LEU A 7 2.881 3.150 3.352 1.00 0.00 H ATOM 109 N GLU A 8 0.534 0.223 2.812 1.00 0.00 N ATOM 110 CA GLU A 8 -0.319 0.191 4.029 1.00 0.00 C ATOM 111 C GLU A 8 -1.266 -1.002 3.950 1.00 0.00 C ATOM 112 O GLU A 8 -1.746 -1.500 4.949 1.00 0.00 O ATOM 113 CB GLU A 8 -1.101 1.504 4.008 1.00 0.00 C ATOM 114 CG GLU A 8 -2.111 1.515 5.157 1.00 0.00 C ATOM 115 CD GLU A 8 -1.772 2.651 6.124 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.955 3.797 5.747 1.00 0.00 O ATOM 117 OE2 GLU A 8 -1.335 2.355 7.223 1.00 0.00 O ATOM 118 H GLU A 8 0.439 0.952 2.165 1.00 0.00 H ATOM 119 HA GLU A 8 0.291 0.132 4.917 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.417 2.332 4.120 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.627 1.597 3.068 1.00 0.00 H ATOM 122 HG2 GLU A 8 -3.105 1.663 4.761 1.00 0.00 H ATOM 123 HG3 GLU A 8 -2.069 0.573 5.682 1.00 0.00 H ATOM 124 N GLU A 9 -1.531 -1.468 2.765 1.00 0.00 N ATOM 125 CA GLU A 9 -2.438 -2.636 2.614 1.00 0.00 C ATOM 126 C GLU A 9 -1.645 -3.931 2.782 1.00 0.00 C ATOM 127 O GLU A 9 -2.195 -4.977 3.068 1.00 0.00 O ATOM 128 CB GLU A 9 -3.004 -2.525 1.199 1.00 0.00 C ATOM 129 CG GLU A 9 -4.046 -3.622 0.980 1.00 0.00 C ATOM 130 CD GLU A 9 -3.379 -4.835 0.330 1.00 0.00 C ATOM 131 OE1 GLU A 9 -2.331 -4.659 -0.270 1.00 0.00 O ATOM 132 OE2 GLU A 9 -3.927 -5.919 0.443 1.00 0.00 O ATOM 133 H GLU A 9 -1.124 -1.052 1.972 1.00 0.00 H ATOM 134 HA GLU A 9 -3.236 -2.588 3.337 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.467 -1.556 1.074 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.206 -2.639 0.481 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.471 -3.910 1.931 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.828 -3.254 0.333 1.00 0.00 H ATOM 139 N PHE A 10 -0.352 -3.868 2.618 1.00 0.00 N ATOM 140 CA PHE A 10 0.478 -5.094 2.780 1.00 0.00 C ATOM 141 C PHE A 10 1.098 -5.115 4.177 1.00 0.00 C ATOM 142 O PHE A 10 1.631 -6.114 4.618 1.00 0.00 O ATOM 143 CB PHE A 10 1.567 -4.989 1.713 1.00 0.00 C ATOM 144 CG PHE A 10 1.559 -6.236 0.864 1.00 0.00 C ATOM 145 CD1 PHE A 10 0.449 -6.525 0.062 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.656 -7.107 0.880 1.00 0.00 C ATOM 147 CE1 PHE A 10 0.436 -7.681 -0.726 1.00 0.00 C ATOM 148 CE2 PHE A 10 2.643 -8.265 0.093 1.00 0.00 C ATOM 149 CZ PHE A 10 1.532 -8.552 -0.710 1.00 0.00 C ATOM 150 H PHE A 10 0.073 -3.013 2.397 1.00 0.00 H ATOM 151 HA PHE A 10 -0.117 -5.978 2.616 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.377 -4.127 1.089 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.530 -4.884 2.189 1.00 0.00 H ATOM 154 HD1 PHE A 10 -0.396 -5.853 0.049 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.513 -6.884 1.499 1.00 0.00 H ATOM 156 HE1 PHE A 10 -0.421 -7.903 -1.345 1.00 0.00 H ATOM 157 HE2 PHE A 10 3.489 -8.937 0.104 1.00 0.00 H ATOM 158 HZ PHE A 10 1.521 -9.444 -1.317 1.00 0.00 H ATOM 159 N LEU A 11 1.028 -4.017 4.878 1.00 0.00 N ATOM 160 CA LEU A 11 1.609 -3.970 6.250 1.00 0.00 C ATOM 161 C LEU A 11 0.601 -4.514 7.267 1.00 0.00 C ATOM 162 O LEU A 11 -0.049 -3.760 7.963 1.00 0.00 O ATOM 163 CB LEU A 11 1.893 -2.490 6.514 1.00 0.00 C ATOM 164 CG LEU A 11 2.854 -2.354 7.696 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.060 -1.508 7.280 1.00 0.00 C ATOM 166 CD2 LEU A 11 2.136 -1.672 8.861 1.00 0.00 C ATOM 167 H LEU A 11 0.590 -3.221 4.502 1.00 0.00 H ATOM 168 HA LEU A 11 2.528 -4.535 6.290 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.336 -2.045 5.634 1.00 0.00 H ATOM 170 HB3 LEU A 11 0.968 -1.983 6.745 1.00 0.00 H ATOM 171 HG LEU A 11 3.191 -3.335 8.001 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.839 -2.150 6.900 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.429 -0.963 8.137 1.00 0.00 H ATOM 174 HD13 LEU A 11 3.762 -0.809 6.512 1.00 0.00 H ATOM 175 HD21 LEU A 11 1.376 -2.331 9.252 1.00 0.00 H ATOM 176 HD22 LEU A 11 1.676 -0.757 8.514 1.00 0.00 H ATOM 177 HD23 LEU A 11 2.849 -1.443 9.639 1.00 0.00 H HETATM 178 N NH2 A 12 0.437 -5.805 7.378 1.00 0.00 N HETATM 179 HN1 NH2 A 12 0.959 -6.417 6.817 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.209 -6.162 8.022 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 84 HETATM 1 C ACE A 1 -0.386 5.552 -4.161 1.00 0.00 C HETATM 2 O ACE A 1 -0.781 5.076 -3.112 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.124 6.992 -4.237 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.121 7.511 -3.321 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.341 7.495 -5.071 1.00 0.00 H HETATM 6 H3 ACE A 1 1.196 6.987 -4.370 1.00 0.00 H ATOM 7 N LEU A 2 -0.380 4.851 -5.262 1.00 0.00 N ATOM 8 CA LEU A 2 -0.864 3.443 -5.242 1.00 0.00 C ATOM 9 C LEU A 2 0.127 2.570 -4.472 1.00 0.00 C ATOM 10 O LEU A 2 -0.215 1.521 -3.967 1.00 0.00 O ATOM 11 CB LEU A 2 -0.947 3.022 -6.711 1.00 0.00 C ATOM 12 CG LEU A 2 0.459 2.940 -7.308 1.00 0.00 C ATOM 13 CD1 LEU A 2 0.680 1.550 -7.905 1.00 0.00 C ATOM 14 CD2 LEU A 2 0.609 3.994 -8.406 1.00 0.00 C ATOM 15 H LEU A 2 -0.054 5.247 -6.096 1.00 0.00 H ATOM 16 HA LEU A 2 -1.840 3.392 -4.785 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.426 2.056 -6.782 1.00 0.00 H ATOM 18 HB3 LEU A 2 -1.525 3.750 -7.262 1.00 0.00 H ATOM 19 HG LEU A 2 1.188 3.119 -6.533 1.00 0.00 H ATOM 20 HD11 LEU A 2 0.919 1.644 -8.954 1.00 0.00 H ATOM 21 HD12 LEU A 2 -0.220 0.963 -7.792 1.00 0.00 H ATOM 22 HD13 LEU A 2 1.495 1.063 -7.392 1.00 0.00 H ATOM 23 HD21 LEU A 2 -0.357 4.199 -8.843 1.00 0.00 H ATOM 24 HD22 LEU A 2 1.278 3.626 -9.168 1.00 0.00 H ATOM 25 HD23 LEU A 2 1.012 4.902 -7.981 1.00 0.00 H ATOM 26 N VAL A 3 1.348 3.012 -4.364 1.00 0.00 N ATOM 27 CA VAL A 3 2.358 2.223 -3.609 1.00 0.00 C ATOM 28 C VAL A 3 2.167 2.475 -2.115 1.00 0.00 C ATOM 29 O VAL A 3 2.484 1.647 -1.283 1.00 0.00 O ATOM 30 CB VAL A 3 3.713 2.758 -4.075 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.819 2.635 -5.596 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.841 4.229 -3.675 1.00 0.00 C ATOM 33 H VAL A 3 1.597 3.870 -4.768 1.00 0.00 H ATOM 34 HA VAL A 3 2.271 1.173 -3.836 1.00 0.00 H ATOM 35 HB VAL A 3 4.503 2.186 -3.611 1.00 0.00 H ATOM 36 HG11 VAL A 3 2.982 3.136 -6.056 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.811 1.592 -5.875 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.739 3.091 -5.930 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.162 4.824 -4.267 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.854 4.561 -3.846 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.597 4.340 -2.628 1.00 0.00 H ATOM 42 N GLY A 4 1.629 3.615 -1.776 1.00 0.00 N ATOM 43 CA GLY A 4 1.393 3.935 -0.344 1.00 0.00 C ATOM 44 C GLY A 4 0.137 3.199 0.107 1.00 0.00 C ATOM 45 O GLY A 4 0.122 2.537 1.125 1.00 0.00 O ATOM 46 H GLY A 4 1.368 4.257 -2.470 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.240 3.612 0.245 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.247 4.997 -0.225 1.00 0.00 H ATOM 49 N ARG A 5 -0.915 3.292 -0.661 1.00 0.00 N ATOM 50 CA ARG A 5 -2.168 2.578 -0.297 1.00 0.00 C ATOM 51 C ARG A 5 -1.909 1.070 -0.297 1.00 0.00 C ATOM 52 O ARG A 5 -2.180 0.375 0.665 1.00 0.00 O ATOM 53 CB ARG A 5 -3.163 2.949 -1.398 1.00 0.00 C ATOM 54 CG ARG A 5 -4.457 3.469 -0.773 1.00 0.00 C ATOM 55 CD ARG A 5 -5.512 3.650 -1.868 1.00 0.00 C ATOM 56 NE ARG A 5 -6.797 3.259 -1.230 1.00 0.00 N ATOM 57 CZ ARG A 5 -7.848 4.022 -1.358 1.00 0.00 C ATOM 58 NH1 ARG A 5 -8.474 4.084 -2.502 1.00 0.00 N ATOM 59 NH2 ARG A 5 -8.274 4.723 -0.342 1.00 0.00 N ATOM 60 H ARG A 5 -0.872 3.821 -1.489 1.00 0.00 H ATOM 61 HA ARG A 5 -2.532 2.906 0.665 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.734 3.716 -2.026 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.381 2.076 -1.996 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.815 2.759 -0.040 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.271 4.419 -0.296 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.546 4.683 -2.190 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.301 3.001 -2.704 1.00 0.00 H ATOM 68 HE ARG A 5 -6.853 2.429 -0.712 1.00 0.00 H ATOM 69 HH11 ARG A 5 -8.149 3.546 -3.280 1.00 0.00 H ATOM 70 HH12 ARG A 5 -9.277 4.672 -2.602 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.794 4.676 0.535 1.00 0.00 H ATOM 72 HH22 ARG A 5 -9.081 5.307 -0.439 1.00 0.00 H ATOM 73 N GLN A 6 -1.374 0.562 -1.374 1.00 0.00 N ATOM 74 CA GLN A 6 -1.087 -0.896 -1.444 1.00 0.00 C ATOM 75 C GLN A 6 -0.095 -1.287 -0.347 1.00 0.00 C ATOM 76 O GLN A 6 -0.278 -2.270 0.344 1.00 0.00 O ATOM 77 CB GLN A 6 -0.479 -1.116 -2.828 1.00 0.00 C ATOM 78 CG GLN A 6 -0.780 -2.541 -3.292 1.00 0.00 C ATOM 79 CD GLN A 6 0.379 -3.056 -4.146 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.624 -2.551 -5.225 1.00 0.00 O ATOM 81 NE2 GLN A 6 1.107 -4.045 -3.708 1.00 0.00 N ATOM 82 H GLN A 6 -1.157 1.142 -2.133 1.00 0.00 H ATOM 83 HA GLN A 6 -1.998 -1.465 -1.347 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.909 -0.410 -3.525 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.589 -0.972 -2.779 1.00 0.00 H ATOM 86 HG2 GLN A 6 -0.902 -3.180 -2.429 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.687 -2.548 -3.877 1.00 0.00 H ATOM 88 HE21 GLN A 6 0.909 -4.450 -2.837 1.00 0.00 H ATOM 89 HE22 GLN A 6 1.851 -4.382 -4.247 1.00 0.00 H ATOM 90 N LEU A 7 0.950 -0.525 -0.170 1.00 0.00 N ATOM 91 CA LEU A 7 1.931 -0.870 0.897 1.00 0.00 C ATOM 92 C LEU A 7 1.246 -0.797 2.261 1.00 0.00 C ATOM 93 O LEU A 7 1.503 -1.594 3.142 1.00 0.00 O ATOM 94 CB LEU A 7 3.033 0.184 0.794 1.00 0.00 C ATOM 95 CG LEU A 7 3.951 0.070 2.012 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.366 0.509 1.630 1.00 0.00 C ATOM 97 CD2 LEU A 7 3.422 0.967 3.134 1.00 0.00 C ATOM 98 H LEU A 7 1.086 0.271 -0.728 1.00 0.00 H ATOM 99 HA LEU A 7 2.338 -1.853 0.732 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.605 0.023 -0.108 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.589 1.167 0.770 1.00 0.00 H ATOM 102 HG LEU A 7 3.973 -0.956 2.349 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.324 1.143 0.757 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.966 -0.363 1.414 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.807 1.055 2.450 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.240 1.525 3.564 1.00 0.00 H ATOM 107 HD22 LEU A 7 2.963 0.354 3.896 1.00 0.00 H ATOM 108 HD23 LEU A 7 2.689 1.652 2.733 1.00 0.00 H ATOM 109 N GLU A 8 0.358 0.142 2.431 1.00 0.00 N ATOM 110 CA GLU A 8 -0.363 0.252 3.724 1.00 0.00 C ATOM 111 C GLU A 8 -1.157 -1.028 3.938 1.00 0.00 C ATOM 112 O GLU A 8 -1.317 -1.505 5.045 1.00 0.00 O ATOM 113 CB GLU A 8 -1.299 1.448 3.560 1.00 0.00 C ATOM 114 CG GLU A 8 -0.593 2.719 4.033 1.00 0.00 C ATOM 115 CD GLU A 8 -0.903 3.863 3.067 1.00 0.00 C ATOM 116 OE1 GLU A 8 -2.025 3.923 2.592 1.00 0.00 O ATOM 117 OE2 GLU A 8 -0.012 4.658 2.817 1.00 0.00 O ATOM 118 H GLU A 8 0.151 0.758 1.701 1.00 0.00 H ATOM 119 HA GLU A 8 0.328 0.417 4.535 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.569 1.552 2.519 1.00 0.00 H ATOM 121 HB3 GLU A 8 -2.189 1.292 4.149 1.00 0.00 H ATOM 122 HG2 GLU A 8 -0.941 2.975 5.023 1.00 0.00 H ATOM 123 HG3 GLU A 8 0.473 2.549 4.057 1.00 0.00 H ATOM 124 N GLU A 9 -1.636 -1.597 2.870 1.00 0.00 N ATOM 125 CA GLU A 9 -2.402 -2.865 2.987 1.00 0.00 C ATOM 126 C GLU A 9 -1.418 -4.029 3.085 1.00 0.00 C ATOM 127 O GLU A 9 -1.751 -5.109 3.528 1.00 0.00 O ATOM 128 CB GLU A 9 -3.232 -2.962 1.703 1.00 0.00 C ATOM 129 CG GLU A 9 -4.307 -1.873 1.703 1.00 0.00 C ATOM 130 CD GLU A 9 -5.260 -2.093 0.527 1.00 0.00 C ATOM 131 OE1 GLU A 9 -6.134 -2.935 0.648 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.100 -1.416 -0.475 1.00 0.00 O ATOM 133 H GLU A 9 -1.473 -1.195 1.985 1.00 0.00 H ATOM 134 HA GLU A 9 -3.048 -2.840 3.850 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.585 -2.829 0.848 1.00 0.00 H ATOM 136 HB3 GLU A 9 -3.704 -3.931 1.651 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.861 -1.914 2.630 1.00 0.00 H ATOM 138 HG3 GLU A 9 -3.837 -0.904 1.607 1.00 0.00 H ATOM 139 N PHE A 10 -0.200 -3.803 2.677 1.00 0.00 N ATOM 140 CA PHE A 10 0.827 -4.878 2.746 1.00 0.00 C ATOM 141 C PHE A 10 1.400 -4.955 4.164 1.00 0.00 C ATOM 142 O PHE A 10 1.905 -5.976 4.584 1.00 0.00 O ATOM 143 CB PHE A 10 1.903 -4.456 1.740 1.00 0.00 C ATOM 144 CG PHE A 10 3.209 -5.142 2.062 1.00 0.00 C ATOM 145 CD1 PHE A 10 3.252 -6.534 2.204 1.00 0.00 C ATOM 146 CD2 PHE A 10 4.378 -4.386 2.220 1.00 0.00 C ATOM 147 CE1 PHE A 10 4.462 -7.170 2.504 1.00 0.00 C ATOM 148 CE2 PHE A 10 5.587 -5.021 2.521 1.00 0.00 C ATOM 149 CZ PHE A 10 5.630 -6.414 2.663 1.00 0.00 C ATOM 150 H PHE A 10 0.043 -2.919 2.330 1.00 0.00 H ATOM 151 HA PHE A 10 0.401 -5.825 2.456 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.590 -4.734 0.743 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.039 -3.386 1.789 1.00 0.00 H ATOM 154 HD1 PHE A 10 2.352 -7.117 2.082 1.00 0.00 H ATOM 155 HD2 PHE A 10 4.345 -3.312 2.111 1.00 0.00 H ATOM 156 HE1 PHE A 10 4.496 -8.245 2.614 1.00 0.00 H ATOM 157 HE2 PHE A 10 6.489 -4.439 2.643 1.00 0.00 H ATOM 158 HZ PHE A 10 6.564 -6.904 2.895 1.00 0.00 H ATOM 159 N LEU A 11 1.323 -3.880 4.903 1.00 0.00 N ATOM 160 CA LEU A 11 1.864 -3.893 6.293 1.00 0.00 C ATOM 161 C LEU A 11 0.728 -4.097 7.299 1.00 0.00 C ATOM 162 O LEU A 11 0.285 -3.162 7.937 1.00 0.00 O ATOM 163 CB LEU A 11 2.507 -2.520 6.485 1.00 0.00 C ATOM 164 CG LEU A 11 4.007 -2.686 6.746 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.222 -3.275 8.142 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.604 -3.628 5.698 1.00 0.00 C ATOM 167 H LEU A 11 0.909 -3.063 4.543 1.00 0.00 H ATOM 168 HA LEU A 11 2.606 -4.667 6.401 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.359 -1.925 5.594 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.050 -2.023 7.329 1.00 0.00 H ATOM 171 HG LEU A 11 4.491 -1.721 6.685 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.408 -2.981 8.787 1.00 0.00 H ATOM 173 HD12 LEU A 11 5.154 -2.908 8.547 1.00 0.00 H ATOM 174 HD13 LEU A 11 4.258 -4.352 8.075 1.00 0.00 H ATOM 175 HD21 LEU A 11 5.648 -3.388 5.551 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.073 -3.513 4.766 1.00 0.00 H ATOM 177 HD23 LEU A 11 4.515 -4.649 6.040 1.00 0.00 H HETATM 178 N NH2 A 12 0.232 -5.292 7.471 1.00 0.00 N HETATM 179 HN1 NH2 A 12 0.588 -6.048 6.958 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.496 -5.433 8.111 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 85 HETATM 1 C ACE A 1 -0.667 5.694 -3.997 1.00 0.00 C HETATM 2 O ACE A 1 -1.103 5.119 -3.018 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.137 7.126 -3.905 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.852 7.742 -3.381 1.00 0.00 H HETATM 5 H2 ACE A 1 0.017 7.519 -4.899 1.00 0.00 H HETATM 6 H3 ACE A 1 0.801 7.128 -3.368 1.00 0.00 H ATOM 7 N LEU A 2 -0.627 5.109 -5.162 1.00 0.00 N ATOM 8 CA LEU A 2 -1.123 3.714 -5.304 1.00 0.00 C ATOM 9 C LEU A 2 -0.167 2.766 -4.590 1.00 0.00 C ATOM 10 O LEU A 2 -0.578 1.845 -3.913 1.00 0.00 O ATOM 11 CB LEU A 2 -1.138 3.444 -6.809 1.00 0.00 C ATOM 12 CG LEU A 2 -2.583 3.394 -7.306 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.303 2.207 -6.666 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.300 4.690 -6.922 1.00 0.00 C ATOM 15 H LEU A 2 -0.262 5.582 -5.939 1.00 0.00 H ATOM 16 HA LEU A 2 -2.117 3.625 -4.899 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.608 4.234 -7.322 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.657 2.499 -7.010 1.00 0.00 H ATOM 19 HG LEU A 2 -2.590 3.281 -8.380 1.00 0.00 H ATOM 20 HD11 LEU A 2 -4.158 2.561 -6.109 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.627 1.692 -5.999 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.634 1.527 -7.438 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.154 4.883 -5.870 1.00 0.00 H ATOM 24 HD22 LEU A 2 -4.355 4.592 -7.128 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.896 5.509 -7.498 1.00 0.00 H ATOM 26 N VAL A 3 1.108 2.999 -4.719 1.00 0.00 N ATOM 27 CA VAL A 3 2.091 2.123 -4.026 1.00 0.00 C ATOM 28 C VAL A 3 2.045 2.415 -2.526 1.00 0.00 C ATOM 29 O VAL A 3 2.381 1.583 -1.705 1.00 0.00 O ATOM 30 CB VAL A 3 3.453 2.491 -4.612 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.418 2.321 -6.131 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.781 3.947 -4.272 1.00 0.00 C ATOM 33 H VAL A 3 1.417 3.760 -5.258 1.00 0.00 H ATOM 34 HA VAL A 3 1.872 1.083 -4.216 1.00 0.00 H ATOM 35 HB VAL A 3 4.211 1.843 -4.196 1.00 0.00 H ATOM 36 HG11 VAL A 3 2.413 2.484 -6.489 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.733 1.321 -6.387 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.085 3.037 -6.590 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.670 4.249 -4.807 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.953 4.038 -3.209 1.00 0.00 H ATOM 41 HG23 VAL A 3 2.956 4.580 -4.559 1.00 0.00 H ATOM 42 N GLY A 4 1.603 3.591 -2.165 1.00 0.00 N ATOM 43 CA GLY A 4 1.508 3.938 -0.723 1.00 0.00 C ATOM 44 C GLY A 4 0.354 3.144 -0.124 1.00 0.00 C ATOM 45 O GLY A 4 0.480 2.522 0.912 1.00 0.00 O ATOM 46 H GLY A 4 1.316 4.237 -2.845 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.432 3.678 -0.224 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.315 4.993 -0.611 1.00 0.00 H ATOM 49 N ARG A 5 -0.767 3.139 -0.791 1.00 0.00 N ATOM 50 CA ARG A 5 -1.926 2.359 -0.280 1.00 0.00 C ATOM 51 C ARG A 5 -1.583 0.871 -0.349 1.00 0.00 C ATOM 52 O ARG A 5 -2.031 0.077 0.456 1.00 0.00 O ATOM 53 CB ARG A 5 -3.081 2.695 -1.222 1.00 0.00 C ATOM 54 CG ARG A 5 -4.344 2.965 -0.402 1.00 0.00 C ATOM 55 CD ARG A 5 -5.258 3.924 -1.169 1.00 0.00 C ATOM 56 NE ARG A 5 -5.404 5.106 -0.275 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.583 5.625 -0.067 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.560 4.875 0.360 1.00 0.00 N ATOM 59 NH2 ARG A 5 -6.784 6.898 -0.284 1.00 0.00 N ATOM 60 H ARG A 5 -0.838 3.634 -1.638 1.00 0.00 H ATOM 61 HA ARG A 5 -2.167 2.650 0.730 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.830 3.574 -1.799 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.258 1.863 -1.888 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.864 2.035 -0.226 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.072 3.410 0.544 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.797 4.211 -2.105 1.00 0.00 H ATOM 67 HD3 ARG A 5 -6.220 3.470 -1.344 1.00 0.00 H ATOM 68 HE ARG A 5 -4.616 5.494 0.159 1.00 0.00 H ATOM 69 HH11 ARG A 5 -7.406 3.900 0.527 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.463 5.273 0.522 1.00 0.00 H ATOM 71 HH21 ARG A 5 -6.035 7.473 -0.611 1.00 0.00 H ATOM 72 HH22 ARG A 5 -7.688 7.295 -0.124 1.00 0.00 H ATOM 73 N GLN A 6 -0.772 0.494 -1.301 1.00 0.00 N ATOM 74 CA GLN A 6 -0.375 -0.935 -1.422 1.00 0.00 C ATOM 75 C GLN A 6 0.410 -1.351 -0.176 1.00 0.00 C ATOM 76 O GLN A 6 0.065 -2.298 0.503 1.00 0.00 O ATOM 77 CB GLN A 6 0.517 -0.998 -2.663 1.00 0.00 C ATOM 78 CG GLN A 6 -0.347 -1.210 -3.908 1.00 0.00 C ATOM 79 CD GLN A 6 0.426 -2.049 -4.928 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.840 -3.153 -4.634 1.00 0.00 O ATOM 81 NE2 GLN A 6 0.642 -1.569 -6.121 1.00 0.00 N ATOM 82 H GLN A 6 -0.413 1.155 -1.929 1.00 0.00 H ATOM 83 HA GLN A 6 -1.243 -1.562 -1.553 1.00 0.00 H ATOM 84 HB2 GLN A 6 1.065 -0.071 -2.758 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.212 -1.818 -2.566 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.256 -1.725 -3.632 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.591 -0.254 -4.345 1.00 0.00 H ATOM 88 HE21 GLN A 6 0.309 -0.678 -6.359 1.00 0.00 H ATOM 89 HE22 GLN A 6 1.137 -2.100 -6.780 1.00 0.00 H ATOM 90 N LEU A 7 1.463 -0.641 0.135 1.00 0.00 N ATOM 91 CA LEU A 7 2.262 -0.992 1.343 1.00 0.00 C ATOM 92 C LEU A 7 1.382 -0.888 2.591 1.00 0.00 C ATOM 93 O LEU A 7 1.459 -1.704 3.487 1.00 0.00 O ATOM 94 CB LEU A 7 3.390 0.038 1.391 1.00 0.00 C ATOM 95 CG LEU A 7 4.729 -0.666 1.167 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.751 -1.292 -0.228 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.866 0.353 1.285 1.00 0.00 C ATOM 98 H LEU A 7 1.723 0.125 -0.422 1.00 0.00 H ATOM 99 HA LEU A 7 2.671 -1.986 1.250 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.236 0.777 0.619 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.397 0.521 2.357 1.00 0.00 H ATOM 102 HG LEU A 7 4.859 -1.439 1.911 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.425 -2.320 -0.166 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.755 -1.256 -0.624 1.00 0.00 H ATOM 105 HD13 LEU A 7 4.088 -0.743 -0.879 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.477 1.281 1.681 1.00 0.00 H ATOM 107 HD22 LEU A 7 6.292 0.530 0.309 1.00 0.00 H ATOM 108 HD23 LEU A 7 6.627 -0.030 1.947 1.00 0.00 H ATOM 109 N GLU A 8 0.533 0.103 2.645 1.00 0.00 N ATOM 110 CA GLU A 8 -0.364 0.249 3.825 1.00 0.00 C ATOM 111 C GLU A 8 -1.318 -0.941 3.876 1.00 0.00 C ATOM 112 O GLU A 8 -1.791 -1.335 4.923 1.00 0.00 O ATOM 113 CB GLU A 8 -1.126 1.553 3.584 1.00 0.00 C ATOM 114 CG GLU A 8 -0.152 2.731 3.650 1.00 0.00 C ATOM 115 CD GLU A 8 -0.326 3.462 4.982 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.426 3.920 5.244 1.00 0.00 O ATOM 117 OE2 GLU A 8 0.644 3.552 5.718 1.00 0.00 O ATOM 118 H GLU A 8 0.477 0.741 1.905 1.00 0.00 H ATOM 119 HA GLU A 8 0.212 0.314 4.734 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.592 1.522 2.610 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.885 1.672 4.343 1.00 0.00 H ATOM 122 HG2 GLU A 8 0.862 2.365 3.571 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.354 3.413 2.838 1.00 0.00 H ATOM 124 N GLU A 9 -1.583 -1.526 2.742 1.00 0.00 N ATOM 125 CA GLU A 9 -2.487 -2.709 2.698 1.00 0.00 C ATOM 126 C GLU A 9 -1.661 -3.979 2.909 1.00 0.00 C ATOM 127 O GLU A 9 -2.181 -5.032 3.220 1.00 0.00 O ATOM 128 CB GLU A 9 -3.094 -2.683 1.294 1.00 0.00 C ATOM 129 CG GLU A 9 -3.724 -4.040 0.973 1.00 0.00 C ATOM 130 CD GLU A 9 -3.992 -4.132 -0.529 1.00 0.00 C ATOM 131 OE1 GLU A 9 -3.033 -4.146 -1.283 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.153 -4.186 -0.902 1.00 0.00 O ATOM 133 H GLU A 9 -1.174 -1.192 1.916 1.00 0.00 H ATOM 134 HA GLU A 9 -3.262 -2.627 3.444 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.851 -1.914 1.246 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.318 -2.470 0.573 1.00 0.00 H ATOM 137 HG2 GLU A 9 -3.049 -4.832 1.267 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.654 -4.143 1.510 1.00 0.00 H ATOM 139 N PHE A 10 -0.372 -3.876 2.740 1.00 0.00 N ATOM 140 CA PHE A 10 0.510 -5.063 2.925 1.00 0.00 C ATOM 141 C PHE A 10 1.168 -5.012 4.306 1.00 0.00 C ATOM 142 O PHE A 10 1.792 -5.958 4.744 1.00 0.00 O ATOM 143 CB PHE A 10 1.566 -4.937 1.827 1.00 0.00 C ATOM 144 CG PHE A 10 1.412 -6.067 0.837 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.319 -7.388 1.291 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.364 -5.794 -0.535 1.00 0.00 C ATOM 147 CE1 PHE A 10 1.178 -8.436 0.372 1.00 0.00 C ATOM 148 CE2 PHE A 10 1.222 -6.841 -1.454 1.00 0.00 C ATOM 149 CZ PHE A 10 1.129 -8.162 -0.999 1.00 0.00 C ATOM 150 H PHE A 10 0.020 -3.013 2.490 1.00 0.00 H ATOM 151 HA PHE A 10 -0.049 -5.976 2.800 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.442 -3.993 1.317 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.551 -4.978 2.269 1.00 0.00 H ATOM 154 HD1 PHE A 10 1.357 -7.600 2.349 1.00 0.00 H ATOM 155 HD2 PHE A 10 1.435 -4.774 -0.886 1.00 0.00 H ATOM 156 HE1 PHE A 10 1.107 -9.455 0.722 1.00 0.00 H ATOM 157 HE2 PHE A 10 1.185 -6.630 -2.513 1.00 0.00 H ATOM 158 HZ PHE A 10 1.021 -8.970 -1.709 1.00 0.00 H ATOM 159 N LEU A 11 1.034 -3.910 4.992 1.00 0.00 N ATOM 160 CA LEU A 11 1.653 -3.790 6.343 1.00 0.00 C ATOM 161 C LEU A 11 0.568 -3.610 7.409 1.00 0.00 C ATOM 162 O LEU A 11 0.132 -4.563 8.024 1.00 0.00 O ATOM 163 CB LEU A 11 2.539 -2.545 6.259 1.00 0.00 C ATOM 164 CG LEU A 11 3.946 -2.947 5.813 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.641 -3.714 6.940 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.853 -3.840 4.572 1.00 0.00 C ATOM 167 H LEU A 11 0.528 -3.159 4.617 1.00 0.00 H ATOM 168 HA LEU A 11 2.255 -4.658 6.560 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.119 -1.853 5.545 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.592 -2.075 7.229 1.00 0.00 H ATOM 171 HG LEU A 11 4.515 -2.059 5.578 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.772 -3.062 7.791 1.00 0.00 H ATOM 173 HD12 LEU A 11 5.605 -4.061 6.600 1.00 0.00 H ATOM 174 HD13 LEU A 11 4.034 -4.561 7.227 1.00 0.00 H ATOM 175 HD21 LEU A 11 3.067 -3.477 3.926 1.00 0.00 H ATOM 176 HD22 LEU A 11 3.634 -4.854 4.873 1.00 0.00 H ATOM 177 HD23 LEU A 11 4.793 -3.817 4.040 1.00 0.00 H HETATM 178 N NH2 A 12 0.109 -2.412 7.658 1.00 0.00 N HETATM 179 HN1 NH2 A 12 0.459 -1.642 7.164 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.585 -2.285 8.338 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 86 HETATM 1 C ACE A 1 -0.328 5.691 -3.991 1.00 0.00 C HETATM 2 O ACE A 1 -0.638 5.200 -2.922 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.213 7.120 -4.083 1.00 0.00 C HETATM 4 H1 ACE A 1 0.044 7.506 -5.077 1.00 0.00 H HETATM 5 H2 ACE A 1 1.273 7.117 -3.873 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.294 7.744 -3.362 1.00 0.00 H ATOM 7 N LEU A 2 -0.443 5.016 -5.104 1.00 0.00 N ATOM 8 CA LEU A 2 -0.962 3.621 -5.070 1.00 0.00 C ATOM 9 C LEU A 2 0.056 2.708 -4.392 1.00 0.00 C ATOM 10 O LEU A 2 -0.292 1.724 -3.773 1.00 0.00 O ATOM 11 CB LEU A 2 -1.160 3.227 -6.534 1.00 0.00 C ATOM 12 CG LEU A 2 -2.649 2.989 -6.791 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.321 4.311 -7.166 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.814 1.989 -7.936 1.00 0.00 C ATOM 15 H LEU A 2 -0.184 5.423 -5.955 1.00 0.00 H ATOM 16 HA LEU A 2 -1.905 3.585 -4.548 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.804 4.023 -7.173 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.611 2.321 -6.742 1.00 0.00 H ATOM 19 HG LEU A 2 -3.108 2.594 -5.895 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.588 4.979 -7.593 1.00 0.00 H ATOM 21 HD12 LEU A 2 -3.747 4.760 -6.281 1.00 0.00 H ATOM 22 HD13 LEU A 2 -4.104 4.125 -7.887 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.008 1.007 -7.531 1.00 0.00 H ATOM 24 HD22 LEU A 2 -1.911 1.963 -8.525 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.643 2.291 -8.560 1.00 0.00 H ATOM 26 N VAL A 3 1.312 3.041 -4.485 1.00 0.00 N ATOM 27 CA VAL A 3 2.347 2.201 -3.821 1.00 0.00 C ATOM 28 C VAL A 3 2.188 2.342 -2.307 1.00 0.00 C ATOM 29 O VAL A 3 2.454 1.430 -1.547 1.00 0.00 O ATOM 30 CB VAL A 3 3.687 2.769 -4.287 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.730 4.274 -4.011 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.825 2.080 -3.529 1.00 0.00 C ATOM 33 H VAL A 3 1.571 3.849 -4.977 1.00 0.00 H ATOM 34 HA VAL A 3 2.251 1.170 -4.120 1.00 0.00 H ATOM 35 HB VAL A 3 3.802 2.595 -5.347 1.00 0.00 H ATOM 36 HG11 VAL A 3 3.169 4.795 -4.771 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.755 4.613 -4.024 1.00 0.00 H ATOM 38 HG13 VAL A 3 3.298 4.474 -3.043 1.00 0.00 H ATOM 39 HG21 VAL A 3 5.102 2.677 -2.673 1.00 0.00 H ATOM 40 HG22 VAL A 3 5.678 1.970 -4.184 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.498 1.105 -3.198 1.00 0.00 H ATOM 42 N GLY A 4 1.724 3.483 -1.871 1.00 0.00 N ATOM 43 CA GLY A 4 1.511 3.701 -0.416 1.00 0.00 C ATOM 44 C GLY A 4 0.234 2.975 -0.004 1.00 0.00 C ATOM 45 O GLY A 4 0.198 2.279 0.986 1.00 0.00 O ATOM 46 H GLY A 4 1.495 4.190 -2.509 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.352 3.307 0.139 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.404 4.756 -0.215 1.00 0.00 H ATOM 49 N ARG A 5 -0.812 3.116 -0.774 1.00 0.00 N ATOM 50 CA ARG A 5 -2.078 2.409 -0.440 1.00 0.00 C ATOM 51 C ARG A 5 -1.803 0.905 -0.383 1.00 0.00 C ATOM 52 O ARG A 5 -2.124 0.230 0.580 1.00 0.00 O ATOM 53 CB ARG A 5 -3.030 2.749 -1.590 1.00 0.00 C ATOM 54 CG ARG A 5 -4.310 1.920 -1.473 1.00 0.00 C ATOM 55 CD ARG A 5 -5.506 2.770 -1.910 1.00 0.00 C ATOM 56 NE ARG A 5 -6.564 2.493 -0.902 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.726 3.299 0.110 1.00 0.00 C ATOM 58 NH1 ARG A 5 -5.686 3.799 0.718 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.928 3.608 0.511 1.00 0.00 N ATOM 60 H ARG A 5 -0.757 3.672 -1.581 1.00 0.00 H ATOM 61 HA ARG A 5 -2.478 2.762 0.498 1.00 0.00 H ATOM 62 HB2 ARG A 5 -3.277 3.800 -1.551 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.546 2.530 -2.529 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.234 1.049 -2.111 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.447 1.607 -0.450 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.243 3.820 -1.903 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.843 2.472 -2.892 1.00 0.00 H ATOM 68 HE ARG A 5 -7.139 1.704 -0.999 1.00 0.00 H ATOM 69 HH11 ARG A 5 -4.765 3.564 0.406 1.00 0.00 H ATOM 70 HH12 ARG A 5 -5.809 4.416 1.494 1.00 0.00 H ATOM 71 HH21 ARG A 5 -8.724 3.226 0.044 1.00 0.00 H ATOM 72 HH22 ARG A 5 -8.052 4.226 1.287 1.00 0.00 H ATOM 73 N GLN A 6 -1.181 0.380 -1.404 1.00 0.00 N ATOM 74 CA GLN A 6 -0.858 -1.071 -1.406 1.00 0.00 C ATOM 75 C GLN A 6 0.066 -1.378 -0.230 1.00 0.00 C ATOM 76 O GLN A 6 -0.070 -2.382 0.438 1.00 0.00 O ATOM 77 CB GLN A 6 -0.146 -1.321 -2.736 1.00 0.00 C ATOM 78 CG GLN A 6 -0.231 -2.807 -3.086 1.00 0.00 C ATOM 79 CD GLN A 6 -0.325 -2.966 -4.604 1.00 0.00 C ATOM 80 OE1 GLN A 6 -1.344 -3.380 -5.121 1.00 0.00 O ATOM 81 NE2 GLN A 6 0.701 -2.649 -5.345 1.00 0.00 N ATOM 82 H GLN A 6 -0.911 0.946 -2.160 1.00 0.00 H ATOM 83 HA GLN A 6 -1.758 -1.662 -1.348 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.621 -0.739 -3.511 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.890 -1.031 -2.650 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.652 -3.312 -2.724 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.108 -3.236 -2.625 1.00 0.00 H ATOM 88 HE21 GLN A 6 1.521 -2.313 -4.927 1.00 0.00 H ATOM 89 HE22 GLN A 6 0.652 -2.749 -6.317 1.00 0.00 H ATOM 90 N LEU A 7 1.000 -0.505 0.037 1.00 0.00 N ATOM 91 CA LEU A 7 1.924 -0.735 1.181 1.00 0.00 C ATOM 92 C LEU A 7 1.146 -0.661 2.493 1.00 0.00 C ATOM 93 O LEU A 7 1.478 -1.314 3.462 1.00 0.00 O ATOM 94 CB LEU A 7 2.953 0.396 1.096 1.00 0.00 C ATOM 95 CG LEU A 7 3.816 0.409 2.362 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.931 -0.631 2.234 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.437 1.798 2.542 1.00 0.00 C ATOM 98 H LEU A 7 1.087 0.305 -0.511 1.00 0.00 H ATOM 99 HA LEU A 7 2.411 -1.691 1.084 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.582 0.246 0.232 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.439 1.343 1.006 1.00 0.00 H ATOM 102 HG LEU A 7 3.203 0.173 3.219 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.539 -1.611 2.464 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.728 -0.391 2.923 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.316 -0.624 1.224 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.197 2.414 1.687 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.509 1.705 2.630 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.041 2.257 3.437 1.00 0.00 H ATOM 109 N GLU A 8 0.103 0.122 2.528 1.00 0.00 N ATOM 110 CA GLU A 8 -0.701 0.226 3.775 1.00 0.00 C ATOM 111 C GLU A 8 -1.509 -1.050 3.955 1.00 0.00 C ATOM 112 O GLU A 8 -1.827 -1.451 5.057 1.00 0.00 O ATOM 113 CB GLU A 8 -1.621 1.431 3.567 1.00 0.00 C ATOM 114 CG GLU A 8 -0.818 2.721 3.745 1.00 0.00 C ATOM 115 CD GLU A 8 -1.735 3.931 3.543 1.00 0.00 C ATOM 116 OE1 GLU A 8 -2.891 3.725 3.215 1.00 0.00 O ATOM 117 OE2 GLU A 8 -1.264 5.042 3.720 1.00 0.00 O ATOM 118 H GLU A 8 -0.155 0.630 1.734 1.00 0.00 H ATOM 119 HA GLU A 8 -0.059 0.386 4.622 1.00 0.00 H ATOM 120 HB2 GLU A 8 -2.038 1.398 2.571 1.00 0.00 H ATOM 121 HB3 GLU A 8 -2.421 1.404 4.292 1.00 0.00 H ATOM 122 HG2 GLU A 8 -0.400 2.748 4.740 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.021 2.750 3.019 1.00 0.00 H ATOM 124 N GLU A 9 -1.829 -1.699 2.875 1.00 0.00 N ATOM 125 CA GLU A 9 -2.602 -2.963 2.981 1.00 0.00 C ATOM 126 C GLU A 9 -1.633 -4.140 3.106 1.00 0.00 C ATOM 127 O GLU A 9 -1.995 -5.217 3.539 1.00 0.00 O ATOM 128 CB GLU A 9 -3.403 -3.047 1.681 1.00 0.00 C ATOM 129 CG GLU A 9 -4.201 -1.756 1.488 1.00 0.00 C ATOM 130 CD GLU A 9 -4.774 -1.719 0.071 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.018 -1.440 -0.845 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.959 -1.969 -0.074 1.00 0.00 O ATOM 133 H GLU A 9 -1.550 -1.360 1.993 1.00 0.00 H ATOM 134 HA GLU A 9 -3.268 -2.930 3.827 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.727 -3.182 0.849 1.00 0.00 H ATOM 136 HB3 GLU A 9 -4.083 -3.884 1.731 1.00 0.00 H ATOM 137 HG2 GLU A 9 -5.007 -1.721 2.207 1.00 0.00 H ATOM 138 HG3 GLU A 9 -3.551 -0.905 1.635 1.00 0.00 H ATOM 139 N PHE A 10 -0.398 -3.937 2.737 1.00 0.00 N ATOM 140 CA PHE A 10 0.603 -5.037 2.842 1.00 0.00 C ATOM 141 C PHE A 10 1.493 -4.830 4.072 1.00 0.00 C ATOM 142 O PHE A 10 2.283 -5.683 4.427 1.00 0.00 O ATOM 143 CB PHE A 10 1.422 -4.960 1.553 1.00 0.00 C ATOM 144 CG PHE A 10 0.824 -5.897 0.531 1.00 0.00 C ATOM 145 CD1 PHE A 10 -0.381 -5.567 -0.101 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.471 -7.100 0.221 1.00 0.00 C ATOM 147 CE1 PHE A 10 -0.939 -6.438 -1.044 1.00 0.00 C ATOM 148 CE2 PHE A 10 0.911 -7.973 -0.723 1.00 0.00 C ATOM 149 CZ PHE A 10 -0.293 -7.640 -1.354 1.00 0.00 C ATOM 150 H PHE A 10 -0.126 -3.055 2.401 1.00 0.00 H ATOM 151 HA PHE A 10 0.105 -5.991 2.901 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.402 -3.949 1.172 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.442 -5.250 1.754 1.00 0.00 H ATOM 154 HD1 PHE A 10 -0.879 -4.640 0.139 1.00 0.00 H ATOM 155 HD2 PHE A 10 2.400 -7.356 0.707 1.00 0.00 H ATOM 156 HE1 PHE A 10 -1.868 -6.183 -1.531 1.00 0.00 H ATOM 157 HE2 PHE A 10 1.409 -8.900 -0.961 1.00 0.00 H ATOM 158 HZ PHE A 10 -0.726 -8.313 -2.080 1.00 0.00 H ATOM 159 N LEU A 11 1.372 -3.705 4.725 1.00 0.00 N ATOM 160 CA LEU A 11 2.215 -3.452 5.932 1.00 0.00 C ATOM 161 C LEU A 11 1.681 -2.245 6.710 1.00 0.00 C ATOM 162 O LEU A 11 2.437 -1.508 7.311 1.00 0.00 O ATOM 163 CB LEU A 11 3.614 -3.159 5.388 1.00 0.00 C ATOM 164 CG LEU A 11 4.579 -4.256 5.843 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.979 -3.965 5.298 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.627 -4.294 7.372 1.00 0.00 C ATOM 167 H LEU A 11 0.727 -3.028 4.424 1.00 0.00 H ATOM 168 HA LEU A 11 2.240 -4.326 6.563 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.584 -3.130 4.310 1.00 0.00 H ATOM 170 HB3 LEU A 11 3.954 -2.206 5.766 1.00 0.00 H ATOM 171 HG LEU A 11 4.239 -5.211 5.468 1.00 0.00 H ATOM 172 HD11 LEU A 11 6.308 -4.796 4.690 1.00 0.00 H ATOM 173 HD12 LEU A 11 6.664 -3.829 6.121 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.953 -3.068 4.699 1.00 0.00 H ATOM 175 HD21 LEU A 11 4.336 -5.275 7.718 1.00 0.00 H ATOM 176 HD22 LEU A 11 3.949 -3.554 7.774 1.00 0.00 H ATOM 177 HD23 LEU A 11 5.632 -4.079 7.706 1.00 0.00 H HETATM 178 N NH2 A 12 0.398 -2.008 6.723 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.215 -2.600 6.240 1.00 0.00 H HETATM 180 HN2 NH2 A 12 0.047 -1.236 7.214 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 87 HETATM 1 C ACE A 1 -0.657 5.764 -3.915 1.00 0.00 C HETATM 2 O ACE A 1 -1.019 5.141 -2.934 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.149 7.204 -3.799 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.862 7.877 -4.251 1.00 0.00 H HETATM 5 H2 ACE A 1 0.801 7.291 -4.304 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.026 7.458 -2.757 1.00 0.00 H ATOM 7 N LEU A 2 -0.685 5.228 -5.105 1.00 0.00 N ATOM 8 CA LEU A 2 -1.167 3.825 -5.274 1.00 0.00 C ATOM 9 C LEU A 2 -0.167 2.858 -4.647 1.00 0.00 C ATOM 10 O LEU A 2 -0.529 1.820 -4.123 1.00 0.00 O ATOM 11 CB LEU A 2 -1.270 3.596 -6.789 1.00 0.00 C ATOM 12 CG LEU A 2 -0.030 4.157 -7.493 1.00 0.00 C ATOM 13 CD1 LEU A 2 0.559 3.096 -8.425 1.00 0.00 C ATOM 14 CD2 LEU A 2 -0.425 5.388 -8.312 1.00 0.00 C ATOM 15 H LEU A 2 -0.386 5.745 -5.880 1.00 0.00 H ATOM 16 HA LEU A 2 -2.135 3.707 -4.817 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.344 2.536 -6.985 1.00 0.00 H ATOM 18 HB3 LEU A 2 -2.150 4.093 -7.168 1.00 0.00 H ATOM 19 HG LEU A 2 0.708 4.435 -6.758 1.00 0.00 H ATOM 20 HD11 LEU A 2 -0.060 3.008 -9.305 1.00 0.00 H ATOM 21 HD12 LEU A 2 0.596 2.146 -7.912 1.00 0.00 H ATOM 22 HD13 LEU A 2 1.558 3.387 -8.715 1.00 0.00 H ATOM 23 HD21 LEU A 2 -1.494 5.530 -8.255 1.00 0.00 H ATOM 24 HD22 LEU A 2 -0.137 5.243 -9.343 1.00 0.00 H ATOM 25 HD23 LEU A 2 0.076 6.260 -7.918 1.00 0.00 H ATOM 26 N VAL A 3 1.087 3.199 -4.681 1.00 0.00 N ATOM 27 CA VAL A 3 2.113 2.310 -4.075 1.00 0.00 C ATOM 28 C VAL A 3 2.073 2.469 -2.558 1.00 0.00 C ATOM 29 O VAL A 3 2.438 1.580 -1.813 1.00 0.00 O ATOM 30 CB VAL A 3 3.450 2.794 -4.636 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.494 1.687 -4.485 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.292 3.145 -6.121 1.00 0.00 C ATOM 33 H VAL A 3 1.354 4.047 -5.093 1.00 0.00 H ATOM 34 HA VAL A 3 1.939 1.284 -4.357 1.00 0.00 H ATOM 35 HB VAL A 3 3.773 3.668 -4.090 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.537 1.372 -3.453 1.00 0.00 H ATOM 37 HG12 VAL A 3 5.460 2.059 -4.790 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.219 0.846 -5.107 1.00 0.00 H ATOM 39 HG21 VAL A 3 2.353 2.753 -6.486 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.105 2.712 -6.682 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.304 4.219 -6.239 1.00 0.00 H ATOM 42 N GLY A 4 1.605 3.599 -2.099 1.00 0.00 N ATOM 43 CA GLY A 4 1.513 3.825 -0.632 1.00 0.00 C ATOM 44 C GLY A 4 0.331 3.023 -0.108 1.00 0.00 C ATOM 45 O GLY A 4 0.416 2.353 0.903 1.00 0.00 O ATOM 46 H GLY A 4 1.299 4.293 -2.723 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.424 3.494 -0.155 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.354 4.873 -0.432 1.00 0.00 H ATOM 49 N ARG A 5 -0.774 3.069 -0.801 1.00 0.00 N ATOM 50 CA ARG A 5 -1.957 2.289 -0.355 1.00 0.00 C ATOM 51 C ARG A 5 -1.609 0.800 -0.366 1.00 0.00 C ATOM 52 O ARG A 5 -1.892 0.079 0.569 1.00 0.00 O ATOM 53 CB ARG A 5 -3.052 2.598 -1.378 1.00 0.00 C ATOM 54 CG ARG A 5 -4.338 1.868 -0.986 1.00 0.00 C ATOM 55 CD ARG A 5 -4.610 0.734 -1.977 1.00 0.00 C ATOM 56 NE ARG A 5 -6.090 0.708 -2.135 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.640 1.210 -3.206 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.745 0.487 -4.287 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.080 2.441 -3.198 1.00 0.00 N ATOM 60 H ARG A 5 -0.818 3.606 -1.623 1.00 0.00 H ATOM 61 HA ARG A 5 -2.269 2.601 0.630 1.00 0.00 H ATOM 62 HB2 ARG A 5 -3.233 3.664 -1.399 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.735 2.268 -2.355 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.230 1.460 0.009 1.00 0.00 H ATOM 65 HG3 ARG A 5 -5.165 2.564 -1.001 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.132 0.943 -2.925 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.265 -0.207 -1.578 1.00 0.00 H ATOM 68 HE ARG A 5 -6.652 0.313 -1.435 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.405 -0.454 -4.294 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.169 0.872 -5.106 1.00 0.00 H ATOM 71 HH21 ARG A 5 -6.996 2.996 -2.369 1.00 0.00 H ATOM 72 HH22 ARG A 5 -7.498 2.829 -4.019 1.00 0.00 H ATOM 73 N GLN A 6 -0.980 0.340 -1.416 1.00 0.00 N ATOM 74 CA GLN A 6 -0.597 -1.099 -1.482 1.00 0.00 C ATOM 75 C GLN A 6 0.336 -1.440 -0.316 1.00 0.00 C ATOM 76 O GLN A 6 0.088 -2.359 0.441 1.00 0.00 O ATOM 77 CB GLN A 6 0.129 -1.255 -2.820 1.00 0.00 C ATOM 78 CG GLN A 6 0.525 -2.722 -3.024 1.00 0.00 C ATOM 79 CD GLN A 6 2.050 -2.849 -2.996 1.00 0.00 C ATOM 80 OE1 GLN A 6 2.726 -2.382 -3.893 1.00 0.00 O ATOM 81 NE2 GLN A 6 2.623 -3.469 -2.001 1.00 0.00 N ATOM 82 H GLN A 6 -0.752 0.944 -2.158 1.00 0.00 H ATOM 83 HA GLN A 6 -1.474 -1.725 -1.460 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.525 -0.944 -3.621 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.018 -0.643 -2.821 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.098 -3.324 -2.236 1.00 0.00 H ATOM 87 HG3 GLN A 6 0.155 -3.064 -3.979 1.00 0.00 H ATOM 88 HE21 GLN A 6 2.077 -3.849 -1.281 1.00 0.00 H ATOM 89 HE22 GLN A 6 3.599 -3.553 -1.973 1.00 0.00 H ATOM 90 N LEU A 7 1.403 -0.703 -0.157 1.00 0.00 N ATOM 91 CA LEU A 7 2.340 -0.985 0.968 1.00 0.00 C ATOM 92 C LEU A 7 1.574 -0.973 2.293 1.00 0.00 C ATOM 93 O LEU A 7 1.694 -1.874 3.104 1.00 0.00 O ATOM 94 CB LEU A 7 3.364 0.149 0.928 1.00 0.00 C ATOM 95 CG LEU A 7 4.746 -0.423 0.615 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.094 -0.159 -0.852 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.790 0.243 1.516 1.00 0.00 C ATOM 98 H LEU A 7 1.585 0.039 -0.774 1.00 0.00 H ATOM 99 HA LEU A 7 2.830 -1.934 0.824 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.084 0.858 0.161 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.390 0.648 1.886 1.00 0.00 H ATOM 102 HG LEU A 7 4.740 -1.489 0.796 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.492 0.657 -1.224 1.00 0.00 H ATOM 104 HD12 LEU A 7 4.895 -1.047 -1.434 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.140 0.097 -0.932 1.00 0.00 H ATOM 106 HD21 LEU A 7 6.741 0.270 1.006 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.886 -0.322 2.431 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.476 1.250 1.746 1.00 0.00 H ATOM 109 N GLU A 8 0.773 0.032 2.512 1.00 0.00 N ATOM 110 CA GLU A 8 -0.011 0.086 3.773 1.00 0.00 C ATOM 111 C GLU A 8 -0.988 -1.082 3.792 1.00 0.00 C ATOM 112 O GLU A 8 -1.393 -1.558 4.834 1.00 0.00 O ATOM 113 CB GLU A 8 -0.756 1.420 3.730 1.00 0.00 C ATOM 114 CG GLU A 8 -0.695 2.078 5.110 1.00 0.00 C ATOM 115 CD GLU A 8 -1.608 3.304 5.133 1.00 0.00 C ATOM 116 OE1 GLU A 8 -2.814 3.120 5.117 1.00 0.00 O ATOM 117 OE2 GLU A 8 -1.088 4.408 5.163 1.00 0.00 O ATOM 118 H GLU A 8 0.678 0.736 1.843 1.00 0.00 H ATOM 119 HA GLU A 8 0.642 0.048 4.628 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.295 2.067 2.998 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.787 1.248 3.462 1.00 0.00 H ATOM 122 HG2 GLU A 8 -1.022 1.371 5.859 1.00 0.00 H ATOM 123 HG3 GLU A 8 0.321 2.381 5.320 1.00 0.00 H ATOM 124 N GLU A 9 -1.352 -1.561 2.635 1.00 0.00 N ATOM 125 CA GLU A 9 -2.284 -2.716 2.574 1.00 0.00 C ATOM 126 C GLU A 9 -1.538 -3.974 3.007 1.00 0.00 C ATOM 127 O GLU A 9 -2.109 -4.895 3.555 1.00 0.00 O ATOM 128 CB GLU A 9 -2.713 -2.814 1.110 1.00 0.00 C ATOM 129 CG GLU A 9 -4.234 -2.678 1.013 1.00 0.00 C ATOM 130 CD GLU A 9 -4.738 -3.449 -0.209 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.623 -4.662 -0.208 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.233 -2.810 -1.123 1.00 0.00 O ATOM 133 H GLU A 9 -0.997 -1.171 1.808 1.00 0.00 H ATOM 134 HA GLU A 9 -3.140 -2.547 3.207 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.242 -2.023 0.545 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.413 -3.770 0.709 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.689 -3.081 1.907 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.497 -1.636 0.912 1.00 0.00 H ATOM 139 N PHE A 10 -0.251 -4.003 2.786 1.00 0.00 N ATOM 140 CA PHE A 10 0.550 -5.185 3.206 1.00 0.00 C ATOM 141 C PHE A 10 0.946 -5.008 4.671 1.00 0.00 C ATOM 142 O PHE A 10 1.277 -5.952 5.361 1.00 0.00 O ATOM 143 CB PHE A 10 1.787 -5.180 2.303 1.00 0.00 C ATOM 144 CG PHE A 10 1.523 -6.002 1.059 1.00 0.00 C ATOM 145 CD1 PHE A 10 0.210 -6.305 0.678 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.598 -6.457 0.284 1.00 0.00 C ATOM 147 CE1 PHE A 10 -0.028 -7.063 -0.473 1.00 0.00 C ATOM 148 CE2 PHE A 10 2.360 -7.215 -0.868 1.00 0.00 C ATOM 149 CZ PHE A 10 1.047 -7.518 -1.247 1.00 0.00 C ATOM 150 H PHE A 10 0.191 -3.236 2.359 1.00 0.00 H ATOM 151 HA PHE A 10 -0.013 -6.095 3.069 1.00 0.00 H ATOM 152 HB2 PHE A 10 2.021 -4.165 2.021 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.623 -5.605 2.840 1.00 0.00 H ATOM 154 HD1 PHE A 10 -0.620 -5.955 1.274 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.612 -6.223 0.576 1.00 0.00 H ATOM 156 HE1 PHE A 10 -1.042 -7.297 -0.765 1.00 0.00 H ATOM 157 HE2 PHE A 10 3.189 -7.566 -1.465 1.00 0.00 H ATOM 158 HZ PHE A 10 0.863 -8.104 -2.136 1.00 0.00 H ATOM 159 N LEU A 11 0.904 -3.793 5.147 1.00 0.00 N ATOM 160 CA LEU A 11 1.263 -3.533 6.570 1.00 0.00 C ATOM 161 C LEU A 11 0.118 -3.978 7.484 1.00 0.00 C ATOM 162 O LEU A 11 0.341 -4.578 8.517 1.00 0.00 O ATOM 163 CB LEU A 11 1.464 -2.018 6.657 1.00 0.00 C ATOM 164 CG LEU A 11 2.941 -1.714 6.913 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.192 -0.212 6.751 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.305 -2.138 8.336 1.00 0.00 C ATOM 167 H LEU A 11 0.627 -3.048 4.568 1.00 0.00 H ATOM 168 HA LEU A 11 2.177 -4.043 6.831 1.00 0.00 H ATOM 169 HB2 LEU A 11 1.155 -1.561 5.728 1.00 0.00 H ATOM 170 HB3 LEU A 11 0.872 -1.623 7.468 1.00 0.00 H ATOM 171 HG LEU A 11 3.548 -2.259 6.205 1.00 0.00 H ATOM 172 HD11 LEU A 11 2.611 0.164 5.923 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.242 -0.042 6.561 1.00 0.00 H ATOM 174 HD13 LEU A 11 2.904 0.301 7.657 1.00 0.00 H ATOM 175 HD21 LEU A 11 2.903 -3.120 8.532 1.00 0.00 H ATOM 176 HD22 LEU A 11 2.890 -1.431 9.040 1.00 0.00 H ATOM 177 HD23 LEU A 11 4.379 -2.162 8.442 1.00 0.00 H HETATM 178 N NH2 A 12 -1.111 -3.711 7.138 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -1.292 -3.227 6.306 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -1.855 -3.996 7.711 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 88 HETATM 1 C ACE A 1 -0.622 5.646 -4.138 1.00 0.00 C HETATM 2 O ACE A 1 -0.730 5.226 -3.000 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.192 7.088 -4.415 1.00 0.00 C HETATM 4 H1 ACE A 1 0.450 7.112 -5.284 1.00 0.00 H HETATM 5 H2 ACE A 1 0.345 7.474 -3.562 1.00 0.00 H HETATM 6 H3 ACE A 1 -1.065 7.696 -4.595 1.00 0.00 H ATOM 7 N LEU A 2 -0.863 4.880 -5.167 1.00 0.00 N ATOM 8 CA LEU A 2 -1.278 3.467 -4.954 1.00 0.00 C ATOM 9 C LEU A 2 -0.110 2.676 -4.376 1.00 0.00 C ATOM 10 O LEU A 2 -0.283 1.631 -3.783 1.00 0.00 O ATOM 11 CB LEU A 2 -1.667 2.942 -6.338 1.00 0.00 C ATOM 12 CG LEU A 2 -2.841 1.971 -6.205 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.994 2.656 -5.467 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.311 1.545 -7.598 1.00 0.00 C ATOM 15 H LEU A 2 -0.764 5.231 -6.076 1.00 0.00 H ATOM 16 HA LEU A 2 -2.122 3.422 -4.286 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.954 3.771 -6.969 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.825 2.428 -6.778 1.00 0.00 H ATOM 19 HG LEU A 2 -2.525 1.101 -5.648 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.945 2.410 -4.416 1.00 0.00 H ATOM 21 HD12 LEU A 2 -4.934 2.314 -5.872 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.916 3.726 -5.591 1.00 0.00 H ATOM 23 HD21 LEU A 2 -2.937 0.556 -7.817 1.00 0.00 H ATOM 24 HD22 LEU A 2 -2.938 2.243 -8.333 1.00 0.00 H ATOM 25 HD23 LEU A 2 -4.391 1.535 -7.626 1.00 0.00 H ATOM 26 N VAL A 3 1.080 3.183 -4.527 1.00 0.00 N ATOM 27 CA VAL A 3 2.260 2.477 -3.963 1.00 0.00 C ATOM 28 C VAL A 3 2.222 2.597 -2.439 1.00 0.00 C ATOM 29 O VAL A 3 2.579 1.684 -1.717 1.00 0.00 O ATOM 30 CB VAL A 3 3.471 3.211 -4.537 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.716 2.854 -3.726 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.676 2.794 -5.994 1.00 0.00 C ATOM 33 H VAL A 3 1.193 4.037 -4.995 1.00 0.00 H ATOM 34 HA VAL A 3 2.268 1.442 -4.268 1.00 0.00 H ATOM 35 HB VAL A 3 3.302 4.277 -4.485 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.542 3.477 -4.038 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.968 1.817 -3.889 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.522 3.016 -2.676 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.591 2.226 -6.081 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.740 3.675 -6.615 1.00 0.00 H ATOM 41 HG23 VAL A 3 2.844 2.187 -6.316 1.00 0.00 H ATOM 42 N GLY A 4 1.761 3.716 -1.951 1.00 0.00 N ATOM 43 CA GLY A 4 1.669 3.908 -0.478 1.00 0.00 C ATOM 44 C GLY A 4 0.448 3.148 0.027 1.00 0.00 C ATOM 45 O GLY A 4 0.519 2.396 0.978 1.00 0.00 O ATOM 46 H GLY A 4 1.456 4.425 -2.558 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.562 3.525 -0.005 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.558 4.958 -0.253 1.00 0.00 H ATOM 49 N ARG A 5 -0.672 3.327 -0.619 1.00 0.00 N ATOM 50 CA ARG A 5 -1.897 2.599 -0.192 1.00 0.00 C ATOM 51 C ARG A 5 -1.636 1.093 -0.265 1.00 0.00 C ATOM 52 O ARG A 5 -2.025 0.336 0.604 1.00 0.00 O ATOM 53 CB ARG A 5 -2.970 3.016 -1.198 1.00 0.00 C ATOM 54 CG ARG A 5 -3.832 4.125 -0.593 1.00 0.00 C ATOM 55 CD ARG A 5 -5.169 3.539 -0.135 1.00 0.00 C ATOM 56 NE ARG A 5 -5.928 4.698 0.411 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.864 5.262 -0.302 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.862 4.549 -0.750 1.00 0.00 N ATOM 59 NH2 ARG A 5 -6.803 6.537 -0.570 1.00 0.00 N ATOM 60 H ARG A 5 -0.702 3.930 -1.394 1.00 0.00 H ATOM 61 HA ARG A 5 -2.185 2.889 0.806 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.496 3.379 -2.099 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.593 2.167 -1.435 1.00 0.00 H ATOM 64 HG2 ARG A 5 -3.317 4.557 0.255 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.009 4.887 -1.335 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.693 3.104 -0.975 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.013 2.802 0.636 1.00 0.00 H ATOM 68 HE ARG A 5 -5.725 5.036 1.308 1.00 0.00 H ATOM 69 HH11 ARG A 5 -7.909 3.571 -0.547 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.580 4.983 -1.294 1.00 0.00 H ATOM 71 HH21 ARG A 5 -6.038 7.083 -0.227 1.00 0.00 H ATOM 72 HH22 ARG A 5 -7.521 6.969 -1.116 1.00 0.00 H ATOM 73 N GLN A 6 -0.961 0.657 -1.295 1.00 0.00 N ATOM 74 CA GLN A 6 -0.652 -0.793 -1.423 1.00 0.00 C ATOM 75 C GLN A 6 0.241 -1.231 -0.261 1.00 0.00 C ATOM 76 O GLN A 6 -0.101 -2.119 0.496 1.00 0.00 O ATOM 77 CB GLN A 6 0.086 -0.931 -2.757 1.00 0.00 C ATOM 78 CG GLN A 6 0.826 -2.271 -2.795 1.00 0.00 C ATOM 79 CD GLN A 6 0.463 -3.021 -4.079 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.346 -2.424 -5.131 1.00 0.00 O ATOM 81 NE2 GLN A 6 0.279 -4.312 -4.037 1.00 0.00 N ATOM 82 H GLN A 6 -0.647 1.288 -1.975 1.00 0.00 H ATOM 83 HA GLN A 6 -1.562 -1.374 -1.441 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.626 -0.888 -3.569 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.798 -0.126 -2.860 1.00 0.00 H ATOM 86 HG2 GLN A 6 1.892 -2.094 -2.770 1.00 0.00 H ATOM 87 HG3 GLN A 6 0.538 -2.864 -1.941 1.00 0.00 H ATOM 88 HE21 GLN A 6 0.374 -4.793 -3.189 1.00 0.00 H ATOM 89 HE22 GLN A 6 0.046 -4.800 -4.854 1.00 0.00 H ATOM 90 N LEU A 7 1.381 -0.608 -0.101 1.00 0.00 N ATOM 91 CA LEU A 7 2.272 -0.997 1.028 1.00 0.00 C ATOM 92 C LEU A 7 1.480 -0.955 2.336 1.00 0.00 C ATOM 93 O LEU A 7 1.622 -1.808 3.193 1.00 0.00 O ATOM 94 CB LEU A 7 3.391 0.045 1.037 1.00 0.00 C ATOM 95 CG LEU A 7 4.512 -0.418 1.968 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.291 -1.555 1.303 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.455 0.754 2.246 1.00 0.00 C ATOM 98 H LEU A 7 1.643 0.115 -0.714 1.00 0.00 H ATOM 99 HA LEU A 7 2.681 -1.981 0.865 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.780 0.164 0.035 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.003 0.990 1.387 1.00 0.00 H ATOM 102 HG LEU A 7 4.087 -0.769 2.897 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.582 -2.278 2.051 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.174 -1.158 0.825 1.00 0.00 H ATOM 105 HD13 LEU A 7 4.666 -2.035 0.564 1.00 0.00 H ATOM 106 HD21 LEU A 7 6.434 0.533 1.843 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.532 0.911 3.312 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.068 1.647 1.779 1.00 0.00 H ATOM 109 N GLU A 8 0.627 0.022 2.487 1.00 0.00 N ATOM 110 CA GLU A 8 -0.190 0.101 3.727 1.00 0.00 C ATOM 111 C GLU A 8 -1.106 -1.115 3.782 1.00 0.00 C ATOM 112 O GLU A 8 -1.461 -1.597 4.839 1.00 0.00 O ATOM 113 CB GLU A 8 -1.003 1.390 3.596 1.00 0.00 C ATOM 114 CG GLU A 8 -1.846 1.591 4.857 1.00 0.00 C ATOM 115 CD GLU A 8 -2.322 3.043 4.927 1.00 0.00 C ATOM 116 OE1 GLU A 8 -3.262 3.372 4.222 1.00 0.00 O ATOM 117 OE2 GLU A 8 -1.742 3.802 5.687 1.00 0.00 O ATOM 118 H GLU A 8 0.512 0.688 1.779 1.00 0.00 H ATOM 119 HA GLU A 8 0.444 0.141 4.597 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.333 2.228 3.471 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.655 1.320 2.739 1.00 0.00 H ATOM 122 HG2 GLU A 8 -2.701 0.932 4.828 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.249 1.369 5.728 1.00 0.00 H ATOM 124 N GLU A 9 -1.474 -1.626 2.640 1.00 0.00 N ATOM 125 CA GLU A 9 -2.349 -2.828 2.612 1.00 0.00 C ATOM 126 C GLU A 9 -1.513 -4.064 2.941 1.00 0.00 C ATOM 127 O GLU A 9 -2.015 -5.060 3.424 1.00 0.00 O ATOM 128 CB GLU A 9 -2.888 -2.901 1.182 1.00 0.00 C ATOM 129 CG GLU A 9 -4.395 -2.630 1.188 1.00 0.00 C ATOM 130 CD GLU A 9 -4.648 -1.152 0.881 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.520 -0.775 -0.271 1.00 0.00 O ATOM 132 OE2 GLU A 9 -4.968 -0.423 1.807 1.00 0.00 O ATOM 133 H GLU A 9 -1.159 -1.224 1.799 1.00 0.00 H ATOM 134 HA GLU A 9 -3.159 -2.722 3.314 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.391 -2.160 0.571 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.703 -3.885 0.777 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.873 -3.242 0.435 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.800 -2.870 2.158 1.00 0.00 H ATOM 139 N PHE A 10 -0.233 -3.998 2.695 1.00 0.00 N ATOM 140 CA PHE A 10 0.645 -5.159 3.007 1.00 0.00 C ATOM 141 C PHE A 10 1.037 -5.115 4.484 1.00 0.00 C ATOM 142 O PHE A 10 1.400 -6.114 5.074 1.00 0.00 O ATOM 143 CB PHE A 10 1.879 -4.982 2.119 1.00 0.00 C ATOM 144 CG PHE A 10 2.534 -6.325 1.898 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.929 -7.268 1.057 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.744 -6.630 2.536 1.00 0.00 C ATOM 147 CE1 PHE A 10 2.533 -8.514 0.854 1.00 0.00 C ATOM 148 CE2 PHE A 10 4.346 -7.878 2.332 1.00 0.00 C ATOM 149 CZ PHE A 10 3.741 -8.820 1.492 1.00 0.00 C ATOM 150 H PHE A 10 0.153 -3.178 2.317 1.00 0.00 H ATOM 151 HA PHE A 10 0.147 -6.086 2.772 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.583 -4.564 1.168 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.580 -4.317 2.603 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.998 -7.032 0.564 1.00 0.00 H ATOM 155 HD2 PHE A 10 4.211 -5.903 3.184 1.00 0.00 H ATOM 156 HE1 PHE A 10 2.066 -9.240 0.204 1.00 0.00 H ATOM 157 HE2 PHE A 10 5.279 -8.113 2.824 1.00 0.00 H ATOM 158 HZ PHE A 10 4.206 -9.782 1.335 1.00 0.00 H ATOM 159 N LEU A 11 0.961 -3.959 5.086 1.00 0.00 N ATOM 160 CA LEU A 11 1.325 -3.842 6.528 1.00 0.00 C ATOM 161 C LEU A 11 0.243 -3.072 7.292 1.00 0.00 C ATOM 162 O LEU A 11 0.540 -2.253 8.138 1.00 0.00 O ATOM 163 CB LEU A 11 2.642 -3.065 6.541 1.00 0.00 C ATOM 164 CG LEU A 11 3.686 -3.819 5.719 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.773 -2.846 5.261 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.313 -4.917 6.581 1.00 0.00 C ATOM 167 H LEU A 11 0.663 -3.164 4.587 1.00 0.00 H ATOM 168 HA LEU A 11 1.471 -4.819 6.961 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.485 -2.085 6.114 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.991 -2.963 7.557 1.00 0.00 H ATOM 171 HG LEU A 11 3.213 -4.263 4.855 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.313 -1.957 4.858 1.00 0.00 H ATOM 173 HD12 LEU A 11 5.377 -3.316 4.500 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.395 -2.581 6.103 1.00 0.00 H ATOM 175 HD21 LEU A 11 5.329 -4.643 6.828 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.315 -5.847 6.033 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.741 -5.033 7.489 1.00 0.00 H HETATM 178 N NH2 A 12 -1.013 -3.304 7.025 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -1.255 -3.964 6.343 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -1.712 -2.818 7.506 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 89 HETATM 1 C ACE A 1 -0.743 5.634 -4.028 1.00 0.00 C HETATM 2 O ACE A 1 -1.222 5.068 -3.064 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.338 7.107 -3.961 1.00 0.00 C HETATM 4 H1 ACE A 1 0.740 7.186 -3.980 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.715 7.544 -3.048 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.750 7.634 -4.808 1.00 0.00 H ATOM 7 N LEU A 2 -0.553 5.007 -5.156 1.00 0.00 N ATOM 8 CA LEU A 2 -0.928 3.569 -5.277 1.00 0.00 C ATOM 9 C LEU A 2 0.080 2.709 -4.519 1.00 0.00 C ATOM 10 O LEU A 2 -0.276 1.763 -3.845 1.00 0.00 O ATOM 11 CB LEU A 2 -0.883 3.267 -6.774 1.00 0.00 C ATOM 12 CG LEU A 2 -1.851 4.194 -7.512 1.00 0.00 C ATOM 13 CD1 LEU A 2 -1.120 4.877 -8.669 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.022 3.375 -8.059 1.00 0.00 C ATOM 15 H LEU A 2 -0.162 5.477 -5.921 1.00 0.00 H ATOM 16 HA LEU A 2 -1.922 3.408 -4.894 1.00 0.00 H ATOM 17 HB2 LEU A 2 0.119 3.424 -7.144 1.00 0.00 H ATOM 18 HB3 LEU A 2 -1.174 2.240 -6.944 1.00 0.00 H ATOM 19 HG LEU A 2 -2.221 4.944 -6.827 1.00 0.00 H ATOM 20 HD11 LEU A 2 -0.106 4.511 -8.721 1.00 0.00 H ATOM 21 HD12 LEU A 2 -1.110 5.945 -8.507 1.00 0.00 H ATOM 22 HD13 LEU A 2 -1.631 4.658 -9.595 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.953 3.818 -7.737 1.00 0.00 H ATOM 24 HD22 LEU A 2 -2.958 2.363 -7.690 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.982 3.368 -9.139 1.00 0.00 H ATOM 26 N VAL A 3 1.336 3.039 -4.611 1.00 0.00 N ATOM 27 CA VAL A 3 2.363 2.248 -3.881 1.00 0.00 C ATOM 28 C VAL A 3 2.197 2.476 -2.377 1.00 0.00 C ATOM 29 O VAL A 3 2.547 1.642 -1.564 1.00 0.00 O ATOM 30 CB VAL A 3 3.709 2.787 -4.374 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.011 4.129 -3.701 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.815 1.785 -4.030 1.00 0.00 C ATOM 33 H VAL A 3 1.602 3.814 -5.150 1.00 0.00 H ATOM 34 HA VAL A 3 2.272 1.200 -4.118 1.00 0.00 H ATOM 35 HB VAL A 3 3.669 2.926 -5.444 1.00 0.00 H ATOM 36 HG11 VAL A 3 3.086 4.590 -3.386 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.517 4.777 -4.400 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.642 3.965 -2.839 1.00 0.00 H ATOM 39 HG21 VAL A 3 5.020 1.824 -2.971 1.00 0.00 H ATOM 40 HG22 VAL A 3 5.710 2.034 -4.580 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.493 0.789 -4.298 1.00 0.00 H ATOM 42 N GLY A 4 1.649 3.603 -2.009 1.00 0.00 N ATOM 43 CA GLY A 4 1.441 3.899 -0.565 1.00 0.00 C ATOM 44 C GLY A 4 0.233 3.111 -0.071 1.00 0.00 C ATOM 45 O GLY A 4 0.281 2.454 0.950 1.00 0.00 O ATOM 46 H GLY A 4 1.362 4.252 -2.687 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.320 3.608 -0.007 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.258 4.954 -0.433 1.00 0.00 H ATOM 49 N ARG A 5 -0.849 3.159 -0.798 1.00 0.00 N ATOM 50 CA ARG A 5 -2.057 2.398 -0.377 1.00 0.00 C ATOM 51 C ARG A 5 -1.733 0.903 -0.359 1.00 0.00 C ATOM 52 O ARG A 5 -2.139 0.176 0.526 1.00 0.00 O ATOM 53 CB ARG A 5 -3.115 2.709 -1.436 1.00 0.00 C ATOM 54 CG ARG A 5 -4.500 2.712 -0.787 1.00 0.00 C ATOM 55 CD ARG A 5 -4.665 3.975 0.061 1.00 0.00 C ATOM 56 NE ARG A 5 -5.761 3.656 1.017 1.00 0.00 N ATOM 57 CZ ARG A 5 -7.005 3.766 0.642 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.527 4.946 0.450 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.729 2.696 0.461 1.00 0.00 N ATOM 60 H ARG A 5 -0.862 3.688 -1.626 1.00 0.00 H ATOM 61 HA ARG A 5 -2.394 2.726 0.594 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.917 3.679 -1.869 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.084 1.956 -2.209 1.00 0.00 H ATOM 64 HG2 ARG A 5 -5.259 2.693 -1.558 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.605 1.842 -0.157 1.00 0.00 H ATOM 66 HD2 ARG A 5 -3.747 4.191 0.593 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.947 4.811 -0.559 1.00 0.00 H ATOM 68 HE ARG A 5 -5.547 3.362 1.927 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.972 5.766 0.590 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.480 5.031 0.162 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.330 1.791 0.611 1.00 0.00 H ATOM 72 HH22 ARG A 5 -8.683 2.779 0.173 1.00 0.00 H ATOM 73 N GLN A 6 -0.991 0.443 -1.330 1.00 0.00 N ATOM 74 CA GLN A 6 -0.627 -1.001 -1.369 1.00 0.00 C ATOM 75 C GLN A 6 0.263 -1.344 -0.173 1.00 0.00 C ATOM 76 O GLN A 6 -0.063 -2.196 0.629 1.00 0.00 O ATOM 77 CB GLN A 6 0.138 -1.188 -2.680 1.00 0.00 C ATOM 78 CG GLN A 6 0.759 -2.586 -2.711 1.00 0.00 C ATOM 79 CD GLN A 6 1.805 -2.659 -3.825 1.00 0.00 C ATOM 80 OE1 GLN A 6 2.281 -1.644 -4.295 1.00 0.00 O ATOM 81 NE2 GLN A 6 2.185 -3.825 -4.272 1.00 0.00 N ATOM 82 H GLN A 6 -0.667 1.048 -2.030 1.00 0.00 H ATOM 83 HA GLN A 6 -1.515 -1.614 -1.367 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.542 -1.077 -3.512 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.919 -0.447 -2.750 1.00 0.00 H ATOM 86 HG2 GLN A 6 1.230 -2.792 -1.761 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.013 -3.319 -2.898 1.00 0.00 H ATOM 88 HE21 GLN A 6 1.802 -4.644 -3.893 1.00 0.00 H ATOM 89 HE22 GLN A 6 2.855 -3.883 -4.984 1.00 0.00 H ATOM 90 N LEU A 7 1.383 -0.683 -0.041 1.00 0.00 N ATOM 91 CA LEU A 7 2.276 -0.977 1.114 1.00 0.00 C ATOM 92 C LEU A 7 1.485 -0.860 2.418 1.00 0.00 C ATOM 93 O LEU A 7 1.611 -1.677 3.311 1.00 0.00 O ATOM 94 CB LEU A 7 3.376 0.084 1.051 1.00 0.00 C ATOM 95 CG LEU A 7 4.722 -0.591 0.789 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.678 0.411 0.139 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.315 -1.073 2.116 1.00 0.00 C ATOM 98 H LEU A 7 1.631 0.008 -0.695 1.00 0.00 H ATOM 99 HA LEU A 7 2.704 -1.962 1.019 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.159 0.779 0.252 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.418 0.615 1.989 1.00 0.00 H ATOM 102 HG LEU A 7 4.582 -1.434 0.128 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.309 0.678 -0.840 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.658 -0.034 0.045 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.744 1.297 0.753 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.968 -0.436 2.917 1.00 0.00 H ATOM 107 HD22 LEU A 7 6.393 -1.033 2.065 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.000 -2.089 2.303 1.00 0.00 H ATOM 109 N GLU A 8 0.657 0.142 2.527 1.00 0.00 N ATOM 110 CA GLU A 8 -0.154 0.303 3.763 1.00 0.00 C ATOM 111 C GLU A 8 -1.146 -0.852 3.868 1.00 0.00 C ATOM 112 O GLU A 8 -1.576 -1.226 4.942 1.00 0.00 O ATOM 113 CB GLU A 8 -0.893 1.630 3.586 1.00 0.00 C ATOM 114 CG GLU A 8 -1.954 1.771 4.680 1.00 0.00 C ATOM 115 CD GLU A 8 -2.355 3.241 4.814 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.699 3.947 5.561 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.312 3.634 4.168 1.00 0.00 O ATOM 118 H GLU A 8 0.559 0.779 1.789 1.00 0.00 H ATOM 119 HA GLU A 8 0.481 0.342 4.634 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.188 2.446 3.658 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.371 1.650 2.619 1.00 0.00 H ATOM 122 HG2 GLU A 8 -2.820 1.182 4.417 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.551 1.423 5.619 1.00 0.00 H ATOM 124 N GLU A 9 -1.503 -1.428 2.753 1.00 0.00 N ATOM 125 CA GLU A 9 -2.459 -2.569 2.778 1.00 0.00 C ATOM 126 C GLU A 9 -1.690 -3.878 2.962 1.00 0.00 C ATOM 127 O GLU A 9 -2.253 -4.902 3.295 1.00 0.00 O ATOM 128 CB GLU A 9 -3.159 -2.537 1.417 1.00 0.00 C ATOM 129 CG GLU A 9 -4.268 -3.591 1.387 1.00 0.00 C ATOM 130 CD GLU A 9 -5.106 -3.416 0.119 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.523 -2.299 -0.143 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.319 -4.401 -0.568 1.00 0.00 O ATOM 133 H GLU A 9 -1.136 -1.110 1.898 1.00 0.00 H ATOM 134 HA GLU A 9 -3.179 -2.440 3.569 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.587 -1.558 1.257 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.442 -2.748 0.638 1.00 0.00 H ATOM 137 HG2 GLU A 9 -3.827 -4.577 1.396 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.901 -3.472 2.253 1.00 0.00 H ATOM 139 N PHE A 10 -0.404 -3.845 2.755 1.00 0.00 N ATOM 140 CA PHE A 10 0.414 -5.078 2.925 1.00 0.00 C ATOM 141 C PHE A 10 1.058 -5.080 4.312 1.00 0.00 C ATOM 142 O PHE A 10 1.538 -6.090 4.787 1.00 0.00 O ATOM 143 CB PHE A 10 1.486 -4.995 1.839 1.00 0.00 C ATOM 144 CG PHE A 10 1.641 -6.344 1.179 1.00 0.00 C ATOM 145 CD1 PHE A 10 0.592 -6.877 0.420 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.835 -7.062 1.325 1.00 0.00 C ATOM 147 CE1 PHE A 10 0.737 -8.127 -0.192 1.00 0.00 C ATOM 148 CE2 PHE A 10 2.979 -8.312 0.712 1.00 0.00 C ATOM 149 CZ PHE A 10 1.931 -8.845 -0.047 1.00 0.00 C ATOM 150 H PHE A 10 0.028 -3.005 2.493 1.00 0.00 H ATOM 151 HA PHE A 10 -0.191 -5.959 2.784 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.192 -4.265 1.100 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.426 -4.702 2.283 1.00 0.00 H ATOM 154 HD1 PHE A 10 -0.329 -6.323 0.308 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.644 -6.650 1.911 1.00 0.00 H ATOM 156 HE1 PHE A 10 -0.072 -8.539 -0.778 1.00 0.00 H ATOM 157 HE2 PHE A 10 3.900 -8.866 0.824 1.00 0.00 H ATOM 158 HZ PHE A 10 2.042 -9.808 -0.520 1.00 0.00 H ATOM 159 N LEU A 11 1.070 -3.949 4.964 1.00 0.00 N ATOM 160 CA LEU A 11 1.682 -3.878 6.322 1.00 0.00 C ATOM 161 C LEU A 11 0.680 -3.299 7.325 1.00 0.00 C ATOM 162 O LEU A 11 0.375 -2.123 7.294 1.00 0.00 O ATOM 163 CB LEU A 11 2.884 -2.946 6.167 1.00 0.00 C ATOM 164 CG LEU A 11 4.085 -3.534 6.909 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.604 -4.756 6.151 1.00 0.00 C ATOM 166 CD2 LEU A 11 5.195 -2.484 7.000 1.00 0.00 C ATOM 167 H LEU A 11 0.677 -3.145 4.560 1.00 0.00 H ATOM 168 HA LEU A 11 2.012 -4.854 6.639 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.123 -2.840 5.118 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.645 -1.978 6.581 1.00 0.00 H ATOM 171 HG LEU A 11 3.783 -3.829 7.904 1.00 0.00 H ATOM 172 HD11 LEU A 11 5.431 -4.464 5.521 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.813 -5.164 5.540 1.00 0.00 H ATOM 174 HD13 LEU A 11 4.935 -5.503 6.856 1.00 0.00 H ATOM 175 HD21 LEU A 11 4.783 -1.554 7.360 1.00 0.00 H ATOM 176 HD22 LEU A 11 5.627 -2.331 6.021 1.00 0.00 H ATOM 177 HD23 LEU A 11 5.960 -2.826 7.681 1.00 0.00 H HETATM 178 N NH2 A 12 0.148 -4.085 8.221 1.00 0.00 N HETATM 179 HN1 NH2 A 12 0.392 -5.034 8.247 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.495 -3.727 8.867 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 90 HETATM 1 C ACE A 1 -0.625 5.526 -4.077 1.00 0.00 C HETATM 2 O ACE A 1 -0.871 5.016 -2.999 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.245 7.004 -4.187 1.00 0.00 C HETATM 4 H1 ACE A 1 -1.106 7.616 -3.959 1.00 0.00 H HETATM 5 H2 ACE A 1 0.092 7.215 -5.190 1.00 0.00 H HETATM 6 H3 ACE A 1 0.548 7.225 -3.487 1.00 0.00 H ATOM 7 N LEU A 2 -0.665 4.829 -5.179 1.00 0.00 N ATOM 8 CA LEU A 2 -1.021 3.384 -5.126 1.00 0.00 C ATOM 9 C LEU A 2 0.066 2.629 -4.370 1.00 0.00 C ATOM 10 O LEU A 2 -0.185 1.629 -3.730 1.00 0.00 O ATOM 11 CB LEU A 2 -1.093 2.926 -6.583 1.00 0.00 C ATOM 12 CG LEU A 2 -2.027 1.719 -6.690 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.872 1.837 -7.959 1.00 0.00 C ATOM 14 CD2 LEU A 2 -1.197 0.435 -6.749 1.00 0.00 C ATOM 15 H LEU A 2 -0.455 5.252 -6.037 1.00 0.00 H ATOM 16 HA LEU A 2 -1.977 3.250 -4.645 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.474 3.731 -7.195 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.109 2.647 -6.924 1.00 0.00 H ATOM 19 HG LEU A 2 -2.678 1.691 -5.827 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.850 2.221 -7.707 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.975 0.864 -8.416 1.00 0.00 H ATOM 22 HD13 LEU A 2 -2.390 2.510 -8.651 1.00 0.00 H ATOM 23 HD21 LEU A 2 -0.702 0.282 -5.800 1.00 0.00 H ATOM 24 HD22 LEU A 2 -0.458 0.520 -7.531 1.00 0.00 H ATOM 25 HD23 LEU A 2 -1.845 -0.404 -6.955 1.00 0.00 H ATOM 26 N VAL A 3 1.274 3.114 -4.428 1.00 0.00 N ATOM 27 CA VAL A 3 2.378 2.434 -3.693 1.00 0.00 C ATOM 28 C VAL A 3 2.161 2.612 -2.190 1.00 0.00 C ATOM 29 O VAL A 3 2.529 1.771 -1.391 1.00 0.00 O ATOM 30 CB VAL A 3 3.671 3.126 -4.137 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.037 2.664 -5.548 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.480 4.647 -4.134 1.00 0.00 C ATOM 33 H VAL A 3 1.449 3.931 -4.943 1.00 0.00 H ATOM 34 HA VAL A 3 2.411 1.386 -3.947 1.00 0.00 H ATOM 35 HB VAL A 3 4.467 2.862 -3.458 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.100 2.782 -5.701 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.501 3.259 -6.272 1.00 0.00 H ATOM 38 HG13 VAL A 3 3.768 1.625 -5.667 1.00 0.00 H ATOM 39 HG21 VAL A 3 2.746 4.918 -3.391 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.140 4.969 -5.108 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.420 5.127 -3.905 1.00 0.00 H ATOM 42 N GLY A 4 1.547 3.698 -1.805 1.00 0.00 N ATOM 43 CA GLY A 4 1.287 3.935 -0.359 1.00 0.00 C ATOM 44 C GLY A 4 0.093 3.086 0.067 1.00 0.00 C ATOM 45 O GLY A 4 0.101 2.463 1.110 1.00 0.00 O ATOM 46 H GLY A 4 1.246 4.352 -2.470 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.159 3.656 0.216 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.061 4.978 -0.197 1.00 0.00 H ATOM 49 N ARG A 5 -0.930 3.045 -0.741 1.00 0.00 N ATOM 50 CA ARG A 5 -2.120 2.220 -0.391 1.00 0.00 C ATOM 51 C ARG A 5 -1.733 0.740 -0.414 1.00 0.00 C ATOM 52 O ARG A 5 -2.165 -0.043 0.410 1.00 0.00 O ATOM 53 CB ARG A 5 -3.147 2.527 -1.481 1.00 0.00 C ATOM 54 CG ARG A 5 -4.527 2.042 -1.036 1.00 0.00 C ATOM 55 CD ARG A 5 -5.573 3.109 -1.363 1.00 0.00 C ATOM 56 NE ARG A 5 -6.675 2.373 -2.046 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.669 2.247 -3.346 1.00 0.00 C ATOM 58 NH1 ARG A 5 -5.815 1.445 -3.922 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.518 2.923 -4.070 1.00 0.00 N ATOM 60 H ARG A 5 -0.912 3.550 -1.583 1.00 0.00 H ATOM 61 HA ARG A 5 -2.506 2.499 0.576 1.00 0.00 H ATOM 62 HB2 ARG A 5 -3.179 3.592 -1.655 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.867 2.022 -2.393 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.771 1.126 -1.554 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.520 1.862 0.029 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.933 3.571 -0.454 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.159 3.853 -2.026 1.00 0.00 H ATOM 68 HE ARG A 5 -7.403 1.985 -1.519 1.00 0.00 H ATOM 69 HH11 ARG A 5 -5.163 0.926 -3.369 1.00 0.00 H ATOM 70 HH12 ARG A 5 -5.813 1.351 -4.917 1.00 0.00 H ATOM 71 HH21 ARG A 5 -8.171 3.540 -3.630 1.00 0.00 H ATOM 72 HH22 ARG A 5 -7.518 2.822 -5.064 1.00 0.00 H ATOM 73 N GLN A 6 -0.909 0.358 -1.351 1.00 0.00 N ATOM 74 CA GLN A 6 -0.474 -1.064 -1.438 1.00 0.00 C ATOM 75 C GLN A 6 0.405 -1.415 -0.235 1.00 0.00 C ATOM 76 O GLN A 6 0.123 -2.337 0.504 1.00 0.00 O ATOM 77 CB GLN A 6 0.332 -1.151 -2.736 1.00 0.00 C ATOM 78 CG GLN A 6 -0.565 -1.662 -3.865 1.00 0.00 C ATOM 79 CD GLN A 6 -1.035 -3.080 -3.540 1.00 0.00 C ATOM 80 OE1 GLN A 6 -2.190 -3.408 -3.727 1.00 0.00 O ATOM 81 NE2 GLN A 6 -0.183 -3.942 -3.057 1.00 0.00 N ATOM 82 H GLN A 6 -0.570 1.011 -1.997 1.00 0.00 H ATOM 83 HA GLN A 6 -1.328 -1.720 -1.488 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.709 -0.170 -2.991 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.160 -1.831 -2.601 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.422 -1.011 -3.967 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.008 -1.673 -4.790 1.00 0.00 H ATOM 88 HE21 GLN A 6 0.749 -3.677 -2.907 1.00 0.00 H ATOM 89 HE22 GLN A 6 -0.474 -4.853 -2.843 1.00 0.00 H ATOM 90 N LEU A 7 1.470 -0.684 -0.031 1.00 0.00 N ATOM 91 CA LEU A 7 2.360 -0.981 1.128 1.00 0.00 C ATOM 92 C LEU A 7 1.585 -0.827 2.440 1.00 0.00 C ATOM 93 O LEU A 7 1.703 -1.634 3.343 1.00 0.00 O ATOM 94 CB LEU A 7 3.483 0.053 1.040 1.00 0.00 C ATOM 95 CG LEU A 7 4.749 -0.616 0.506 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.277 -1.607 1.544 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.420 -1.363 -0.790 1.00 0.00 C ATOM 98 H LEU A 7 1.682 0.059 -0.638 1.00 0.00 H ATOM 99 HA LEU A 7 2.766 -1.975 1.047 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.187 0.849 0.373 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.679 0.459 2.020 1.00 0.00 H ATOM 102 HG LEU A 7 5.502 0.135 0.310 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.750 -2.546 1.446 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.119 -1.207 2.535 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.333 -1.769 1.385 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.182 -1.160 -1.527 1.00 0.00 H ATOM 107 HD22 LEU A 7 3.462 -1.029 -1.163 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.381 -2.423 -0.594 1.00 0.00 H ATOM 109 N GLU A 8 0.787 0.198 2.551 1.00 0.00 N ATOM 110 CA GLU A 8 0.001 0.395 3.800 1.00 0.00 C ATOM 111 C GLU A 8 -1.084 -0.677 3.894 1.00 0.00 C ATOM 112 O GLU A 8 -1.577 -0.987 4.960 1.00 0.00 O ATOM 113 CB GLU A 8 -0.617 1.788 3.671 1.00 0.00 C ATOM 114 CG GLU A 8 -1.528 2.056 4.870 1.00 0.00 C ATOM 115 CD GLU A 8 -1.798 3.558 4.982 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.101 4.316 4.329 1.00 0.00 O ATOM 117 OE2 GLU A 8 -2.698 3.924 5.719 1.00 0.00 O ATOM 118 H GLU A 8 0.699 0.833 1.811 1.00 0.00 H ATOM 119 HA GLU A 8 0.647 0.353 4.661 1.00 0.00 H ATOM 120 HB2 GLU A 8 0.168 2.530 3.642 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.198 1.843 2.762 1.00 0.00 H ATOM 122 HG2 GLU A 8 -2.463 1.530 4.736 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.046 1.711 5.772 1.00 0.00 H ATOM 124 N GLU A 9 -1.449 -1.255 2.782 1.00 0.00 N ATOM 125 CA GLU A 9 -2.490 -2.319 2.805 1.00 0.00 C ATOM 126 C GLU A 9 -1.820 -3.687 2.938 1.00 0.00 C ATOM 127 O GLU A 9 -2.449 -4.673 3.267 1.00 0.00 O ATOM 128 CB GLU A 9 -3.222 -2.200 1.467 1.00 0.00 C ATOM 129 CG GLU A 9 -4.182 -3.380 1.302 1.00 0.00 C ATOM 130 CD GLU A 9 -3.808 -4.175 0.049 1.00 0.00 C ATOM 131 OE1 GLU A 9 -3.273 -3.578 -0.869 1.00 0.00 O ATOM 132 OE2 GLU A 9 -4.066 -5.369 0.028 1.00 0.00 O ATOM 133 H GLU A 9 -1.029 -0.996 1.933 1.00 0.00 H ATOM 134 HA GLU A 9 -3.175 -2.157 3.621 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.779 -1.275 1.444 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.503 -2.208 0.661 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.116 -4.022 2.168 1.00 0.00 H ATOM 138 HG3 GLU A 9 -5.192 -3.012 1.203 1.00 0.00 H ATOM 139 N PHE A 10 -0.541 -3.748 2.692 1.00 0.00 N ATOM 140 CA PHE A 10 0.182 -5.045 2.815 1.00 0.00 C ATOM 141 C PHE A 10 0.924 -5.093 4.152 1.00 0.00 C ATOM 142 O PHE A 10 1.381 -6.131 4.586 1.00 0.00 O ATOM 143 CB PHE A 10 1.172 -5.064 1.649 1.00 0.00 C ATOM 144 CG PHE A 10 1.595 -6.487 1.370 1.00 0.00 C ATOM 145 CD1 PHE A 10 0.668 -7.406 0.861 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.913 -6.887 1.619 1.00 0.00 C ATOM 147 CE1 PHE A 10 1.060 -8.724 0.602 1.00 0.00 C ATOM 148 CE2 PHE A 10 3.305 -8.206 1.360 1.00 0.00 C ATOM 149 CZ PHE A 10 2.377 -9.124 0.851 1.00 0.00 C ATOM 150 H PHE A 10 -0.052 -2.936 2.439 1.00 0.00 H ATOM 151 HA PHE A 10 -0.506 -5.872 2.733 1.00 0.00 H ATOM 152 HB2 PHE A 10 0.700 -4.648 0.771 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.041 -4.475 1.905 1.00 0.00 H ATOM 154 HD1 PHE A 10 -0.349 -7.097 0.669 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.628 -6.179 2.010 1.00 0.00 H ATOM 156 HE1 PHE A 10 0.345 -9.432 0.209 1.00 0.00 H ATOM 157 HE2 PHE A 10 4.321 -8.516 1.552 1.00 0.00 H ATOM 158 HZ PHE A 10 2.680 -10.142 0.652 1.00 0.00 H ATOM 159 N LEU A 11 1.044 -3.970 4.808 1.00 0.00 N ATOM 160 CA LEU A 11 1.756 -3.943 6.119 1.00 0.00 C ATOM 161 C LEU A 11 1.053 -2.980 7.080 1.00 0.00 C ATOM 162 O LEU A 11 0.208 -2.206 6.679 1.00 0.00 O ATOM 163 CB LEU A 11 3.166 -3.447 5.797 1.00 0.00 C ATOM 164 CG LEU A 11 4.195 -4.456 6.313 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.435 -4.430 5.417 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.593 -4.087 7.744 1.00 0.00 C ATOM 167 H LEU A 11 0.665 -3.142 4.438 1.00 0.00 H ATOM 168 HA LEU A 11 1.801 -4.934 6.544 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.273 -3.337 4.727 1.00 0.00 H ATOM 170 HB3 LEU A 11 3.329 -2.494 6.275 1.00 0.00 H ATOM 171 HG LEU A 11 3.764 -5.446 6.301 1.00 0.00 H ATOM 172 HD11 LEU A 11 6.058 -3.590 5.687 1.00 0.00 H ATOM 173 HD12 LEU A 11 5.133 -4.335 4.386 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.992 -5.346 5.547 1.00 0.00 H ATOM 175 HD21 LEU A 11 4.339 -4.900 8.408 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.062 -3.196 8.046 1.00 0.00 H ATOM 177 HD23 LEU A 11 5.656 -3.905 7.786 1.00 0.00 H HETATM 178 N NH2 A 12 1.371 -2.997 8.345 1.00 0.00 N HETATM 179 HN1 NH2 A 12 2.054 -3.621 8.671 1.00 0.00 H HETATM 180 HN2 NH2 A 12 0.928 -2.385 8.969 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 91 HETATM 1 C ACE A 1 -0.581 5.916 -3.800 1.00 0.00 C HETATM 2 O ACE A 1 -1.004 5.294 -2.842 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.029 7.310 -3.637 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.668 7.950 -3.117 1.00 0.00 H HETATM 5 H2 ACE A 1 0.241 7.726 -4.611 1.00 0.00 H HETATM 6 H3 ACE A 1 0.945 7.240 -3.070 1.00 0.00 H ATOM 7 N LEU A 2 -0.621 5.414 -5.004 1.00 0.00 N ATOM 8 CA LEU A 2 -1.194 4.058 -5.220 1.00 0.00 C ATOM 9 C LEU A 2 -0.257 3.021 -4.611 1.00 0.00 C ATOM 10 O LEU A 2 -0.676 2.108 -3.923 1.00 0.00 O ATOM 11 CB LEU A 2 -1.274 3.898 -6.738 1.00 0.00 C ATOM 12 CG LEU A 2 -2.739 3.795 -7.163 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.310 5.198 -7.380 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.834 2.999 -8.466 1.00 0.00 C ATOM 15 H LEU A 2 -0.265 5.923 -5.761 1.00 0.00 H ATOM 16 HA LEU A 2 -2.178 3.988 -4.784 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.818 4.753 -7.215 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.750 3.000 -7.033 1.00 0.00 H ATOM 19 HG LEU A 2 -3.303 3.292 -6.390 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.723 5.713 -8.126 1.00 0.00 H ATOM 21 HD12 LEU A 2 -3.278 5.747 -6.451 1.00 0.00 H ATOM 22 HD13 LEU A 2 -4.333 5.121 -7.718 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.011 3.676 -9.288 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.648 2.294 -8.399 1.00 0.00 H ATOM 25 HD23 LEU A 2 -1.910 2.468 -8.630 1.00 0.00 H ATOM 26 N VAL A 3 1.017 3.172 -4.840 1.00 0.00 N ATOM 27 CA VAL A 3 1.992 2.214 -4.255 1.00 0.00 C ATOM 28 C VAL A 3 1.954 2.355 -2.734 1.00 0.00 C ATOM 29 O VAL A 3 2.226 1.424 -2.001 1.00 0.00 O ATOM 30 CB VAL A 3 3.353 2.630 -4.813 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.749 3.991 -4.240 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.402 1.584 -4.425 1.00 0.00 C ATOM 33 H VAL A 3 1.330 3.929 -5.381 1.00 0.00 H ATOM 34 HA VAL A 3 1.758 1.202 -4.550 1.00 0.00 H ATOM 35 HB VAL A 3 3.293 2.697 -5.891 1.00 0.00 H ATOM 36 HG11 VAL A 3 2.863 4.520 -3.924 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.259 4.567 -4.998 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.405 3.850 -3.394 1.00 0.00 H ATOM 39 HG21 VAL A 3 5.268 2.078 -4.011 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.691 1.024 -5.301 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.983 0.912 -3.690 1.00 0.00 H ATOM 42 N GLY A 4 1.583 3.515 -2.260 1.00 0.00 N ATOM 43 CA GLY A 4 1.488 3.721 -0.792 1.00 0.00 C ATOM 44 C GLY A 4 0.302 2.911 -0.283 1.00 0.00 C ATOM 45 O GLY A 4 0.380 2.234 0.721 1.00 0.00 O ATOM 46 H GLY A 4 1.343 4.242 -2.875 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.398 3.383 -0.315 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.329 4.767 -0.577 1.00 0.00 H ATOM 49 N ARG A 5 -0.795 2.958 -0.989 1.00 0.00 N ATOM 50 CA ARG A 5 -1.983 2.168 -0.562 1.00 0.00 C ATOM 51 C ARG A 5 -1.606 0.685 -0.510 1.00 0.00 C ATOM 52 O ARG A 5 -1.981 -0.034 0.394 1.00 0.00 O ATOM 53 CB ARG A 5 -3.040 2.416 -1.639 1.00 0.00 C ATOM 54 CG ARG A 5 -3.975 3.540 -1.192 1.00 0.00 C ATOM 55 CD ARG A 5 -5.390 3.262 -1.703 1.00 0.00 C ATOM 56 NE ARG A 5 -6.274 4.109 -0.858 1.00 0.00 N ATOM 57 CZ ARG A 5 -7.496 4.359 -1.240 1.00 0.00 C ATOM 58 NH1 ARG A 5 -8.041 3.647 -2.188 1.00 0.00 N ATOM 59 NH2 ARG A 5 -8.171 5.323 -0.675 1.00 0.00 N ATOM 60 H ARG A 5 -0.831 3.502 -1.809 1.00 0.00 H ATOM 61 HA ARG A 5 -2.341 2.503 0.398 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.554 2.697 -2.563 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.614 1.515 -1.794 1.00 0.00 H ATOM 64 HG2 ARG A 5 -3.985 3.591 -0.112 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.627 4.479 -1.594 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.476 3.544 -2.743 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.642 2.221 -1.572 1.00 0.00 H ATOM 68 HE ARG A 5 -5.938 4.481 -0.017 1.00 0.00 H ATOM 69 HH11 ARG A 5 -7.521 2.910 -2.622 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.978 3.837 -2.481 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.751 5.868 0.052 1.00 0.00 H ATOM 72 HH22 ARG A 5 -9.107 5.518 -0.968 1.00 0.00 H ATOM 73 N GLN A 6 -0.851 0.228 -1.474 1.00 0.00 N ATOM 74 CA GLN A 6 -0.431 -1.203 -1.479 1.00 0.00 C ATOM 75 C GLN A 6 0.417 -1.492 -0.239 1.00 0.00 C ATOM 76 O GLN A 6 0.148 -2.409 0.514 1.00 0.00 O ATOM 77 CB GLN A 6 0.398 -1.363 -2.757 1.00 0.00 C ATOM 78 CG GLN A 6 1.200 -2.666 -2.704 1.00 0.00 C ATOM 79 CD GLN A 6 2.297 -2.630 -3.770 1.00 0.00 C ATOM 80 OE1 GLN A 6 3.420 -3.019 -3.519 1.00 0.00 O ATOM 81 NE2 GLN A 6 2.017 -2.174 -4.960 1.00 0.00 N ATOM 82 H GLN A 6 -0.550 0.830 -2.191 1.00 0.00 H ATOM 83 HA GLN A 6 -1.293 -1.851 -1.511 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.263 -1.384 -3.612 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.077 -0.529 -2.851 1.00 0.00 H ATOM 86 HG2 GLN A 6 1.651 -2.776 -1.729 1.00 0.00 H ATOM 87 HG3 GLN A 6 0.544 -3.501 -2.894 1.00 0.00 H ATOM 88 HE21 GLN A 6 1.111 -1.860 -5.163 1.00 0.00 H ATOM 89 HE22 GLN A 6 2.710 -2.146 -5.651 1.00 0.00 H ATOM 90 N LEU A 7 1.438 -0.710 -0.019 1.00 0.00 N ATOM 91 CA LEU A 7 2.305 -0.929 1.173 1.00 0.00 C ATOM 92 C LEU A 7 1.464 -0.893 2.453 1.00 0.00 C ATOM 93 O LEU A 7 1.589 -1.742 3.316 1.00 0.00 O ATOM 94 CB LEU A 7 3.297 0.235 1.148 1.00 0.00 C ATOM 95 CG LEU A 7 4.011 0.336 2.496 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.974 -0.841 2.652 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.795 1.648 2.556 1.00 0.00 C ATOM 98 H LEU A 7 1.634 0.026 -0.639 1.00 0.00 H ATOM 99 HA LEU A 7 2.831 -1.867 1.093 1.00 0.00 H ATOM 100 HB2 LEU A 7 4.024 0.069 0.366 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.764 1.154 0.956 1.00 0.00 H ATOM 102 HG LEU A 7 3.282 0.313 3.293 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.956 -1.188 3.675 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.975 -0.523 2.397 1.00 0.00 H ATOM 105 HD13 LEU A 7 4.673 -1.643 1.995 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.059 1.864 3.580 1.00 0.00 H ATOM 107 HD22 LEU A 7 4.187 2.450 2.163 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.695 1.557 1.965 1.00 0.00 H ATOM 109 N GLU A 8 0.600 0.077 2.581 1.00 0.00 N ATOM 110 CA GLU A 8 -0.249 0.156 3.801 1.00 0.00 C ATOM 111 C GLU A 8 -1.196 -1.038 3.829 1.00 0.00 C ATOM 112 O GLU A 8 -1.665 -1.451 4.871 1.00 0.00 O ATOM 113 CB GLU A 8 -1.029 1.465 3.667 1.00 0.00 C ATOM 114 CG GLU A 8 -0.257 2.595 4.350 1.00 0.00 C ATOM 115 CD GLU A 8 -1.244 3.597 4.955 1.00 0.00 C ATOM 116 OE1 GLU A 8 -2.315 3.172 5.355 1.00 0.00 O ATOM 117 OE2 GLU A 8 -0.912 4.769 5.007 1.00 0.00 O ATOM 118 H GLU A 8 0.506 0.745 1.873 1.00 0.00 H ATOM 119 HA GLU A 8 0.363 0.174 4.687 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.161 1.698 2.620 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.995 1.357 4.137 1.00 0.00 H ATOM 122 HG2 GLU A 8 0.367 2.185 5.132 1.00 0.00 H ATOM 123 HG3 GLU A 8 0.363 3.100 3.623 1.00 0.00 H ATOM 124 N GLU A 9 -1.469 -1.607 2.687 1.00 0.00 N ATOM 125 CA GLU A 9 -2.372 -2.788 2.646 1.00 0.00 C ATOM 126 C GLU A 9 -1.586 -4.035 3.044 1.00 0.00 C ATOM 127 O GLU A 9 -2.138 -5.009 3.517 1.00 0.00 O ATOM 128 CB GLU A 9 -2.848 -2.885 1.196 1.00 0.00 C ATOM 129 CG GLU A 9 -4.118 -3.737 1.134 1.00 0.00 C ATOM 130 CD GLU A 9 -4.148 -4.522 -0.180 1.00 0.00 C ATOM 131 OE1 GLU A 9 -3.191 -4.420 -0.931 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.128 -5.210 -0.414 1.00 0.00 O ATOM 133 H GLU A 9 -1.067 -1.261 1.859 1.00 0.00 H ATOM 134 HA GLU A 9 -3.212 -2.643 3.307 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.060 -1.894 0.821 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.079 -3.343 0.593 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.130 -4.426 1.965 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.984 -3.094 1.186 1.00 0.00 H ATOM 139 N PHE A 10 -0.295 -4.002 2.866 1.00 0.00 N ATOM 140 CA PHE A 10 0.541 -5.174 3.245 1.00 0.00 C ATOM 141 C PHE A 10 1.083 -4.977 4.661 1.00 0.00 C ATOM 142 O PHE A 10 1.586 -5.893 5.281 1.00 0.00 O ATOM 143 CB PHE A 10 1.687 -5.193 2.230 1.00 0.00 C ATOM 144 CG PHE A 10 2.177 -6.611 2.027 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.831 -7.616 2.941 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.978 -6.918 0.921 1.00 0.00 C ATOM 147 CE1 PHE A 10 2.288 -8.926 2.747 1.00 0.00 C ATOM 148 CE2 PHE A 10 3.435 -8.227 0.729 1.00 0.00 C ATOM 149 CZ PHE A 10 3.089 -9.231 1.640 1.00 0.00 C ATOM 150 H PHE A 10 0.127 -3.199 2.493 1.00 0.00 H ATOM 151 HA PHE A 10 -0.031 -6.086 3.179 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.337 -4.796 1.288 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.499 -4.583 2.597 1.00 0.00 H ATOM 154 HD1 PHE A 10 1.212 -7.381 3.794 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.246 -6.146 0.217 1.00 0.00 H ATOM 156 HE1 PHE A 10 2.021 -9.700 3.450 1.00 0.00 H ATOM 157 HE2 PHE A 10 4.053 -8.464 -0.125 1.00 0.00 H ATOM 158 HZ PHE A 10 3.442 -10.242 1.492 1.00 0.00 H ATOM 159 N LEU A 11 0.981 -3.781 5.177 1.00 0.00 N ATOM 160 CA LEU A 11 1.487 -3.513 6.555 1.00 0.00 C ATOM 161 C LEU A 11 0.672 -2.395 7.212 1.00 0.00 C ATOM 162 O LEU A 11 1.208 -1.375 7.595 1.00 0.00 O ATOM 163 CB LEU A 11 2.942 -3.077 6.367 1.00 0.00 C ATOM 164 CG LEU A 11 3.809 -4.304 6.088 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.047 -4.428 4.582 1.00 0.00 C ATOM 166 CD2 LEU A 11 5.152 -4.154 6.805 1.00 0.00 C ATOM 167 H LEU A 11 0.571 -3.056 4.656 1.00 0.00 H ATOM 168 HA LEU A 11 1.445 -4.410 7.152 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.007 -2.390 5.536 1.00 0.00 H ATOM 170 HB3 LEU A 11 3.290 -2.590 7.266 1.00 0.00 H ATOM 171 HG LEU A 11 3.305 -5.191 6.445 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.814 -3.489 4.102 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.412 -5.204 4.180 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.081 -4.680 4.401 1.00 0.00 H ATOM 175 HD21 LEU A 11 5.739 -3.393 6.312 1.00 0.00 H ATOM 176 HD22 LEU A 11 5.681 -5.094 6.777 1.00 0.00 H ATOM 177 HD23 LEU A 11 4.980 -3.867 7.832 1.00 0.00 H HETATM 178 N NH2 A 12 -0.616 -2.548 7.360 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -1.051 -3.370 7.052 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -1.148 -1.839 7.780 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 92 HETATM 1 C ACE A 1 -0.518 5.730 -3.978 1.00 0.00 C HETATM 2 O ACE A 1 -0.898 5.133 -2.989 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.059 7.143 -3.880 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.745 7.855 -3.772 1.00 0.00 H HETATM 5 H2 ACE A 1 0.619 7.365 -4.776 1.00 0.00 H HETATM 6 H3 ACE A 1 0.714 7.206 -3.022 1.00 0.00 H ATOM 7 N LEU A 2 -0.577 5.184 -5.162 1.00 0.00 N ATOM 8 CA LEU A 2 -1.119 3.806 -5.315 1.00 0.00 C ATOM 9 C LEU A 2 -0.192 2.829 -4.604 1.00 0.00 C ATOM 10 O LEU A 2 -0.624 1.899 -3.953 1.00 0.00 O ATOM 11 CB LEU A 2 -1.123 3.543 -6.824 1.00 0.00 C ATOM 12 CG LEU A 2 -2.522 3.798 -7.390 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.550 2.974 -6.610 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.859 5.285 -7.263 1.00 0.00 C ATOM 15 H LEU A 2 -0.253 5.671 -5.944 1.00 0.00 H ATOM 16 HA LEU A 2 -2.120 3.742 -4.919 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.416 4.203 -7.303 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.843 2.518 -7.011 1.00 0.00 H ATOM 19 HG LEU A 2 -2.546 3.509 -8.430 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.125 2.014 -6.357 1.00 0.00 H ATOM 21 HD12 LEU A 2 -4.430 2.829 -7.219 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.820 3.499 -5.705 1.00 0.00 H ATOM 23 HD21 LEU A 2 -2.357 5.696 -6.399 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.927 5.403 -7.148 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.532 5.805 -8.151 1.00 0.00 H ATOM 26 N VAL A 3 1.086 3.054 -4.709 1.00 0.00 N ATOM 27 CA VAL A 3 2.055 2.159 -4.023 1.00 0.00 C ATOM 28 C VAL A 3 1.999 2.425 -2.519 1.00 0.00 C ATOM 29 O VAL A 3 2.336 1.580 -1.712 1.00 0.00 O ATOM 30 CB VAL A 3 3.423 2.535 -4.589 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.506 2.100 -6.054 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.613 4.051 -4.497 1.00 0.00 C ATOM 33 H VAL A 3 1.405 3.825 -5.228 1.00 0.00 H ATOM 34 HA VAL A 3 1.833 1.125 -4.235 1.00 0.00 H ATOM 35 HB VAL A 3 4.197 2.037 -4.021 1.00 0.00 H ATOM 36 HG11 VAL A 3 2.801 2.673 -6.640 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.269 1.050 -6.132 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.506 2.272 -6.426 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.206 4.519 -5.381 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.666 4.279 -4.419 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.099 4.425 -3.623 1.00 0.00 H ATOM 42 N GLY A 4 1.553 3.593 -2.138 1.00 0.00 N ATOM 43 CA GLY A 4 1.448 3.914 -0.689 1.00 0.00 C ATOM 44 C GLY A 4 0.281 3.121 -0.112 1.00 0.00 C ATOM 45 O GLY A 4 0.383 2.510 0.933 1.00 0.00 O ATOM 46 H GLY A 4 1.269 4.251 -2.807 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.365 3.637 -0.187 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.264 4.969 -0.560 1.00 0.00 H ATOM 49 N ARG A 5 -0.826 3.110 -0.805 1.00 0.00 N ATOM 50 CA ARG A 5 -2.001 2.338 -0.317 1.00 0.00 C ATOM 51 C ARG A 5 -1.669 0.847 -0.334 1.00 0.00 C ATOM 52 O ARG A 5 -2.040 0.103 0.552 1.00 0.00 O ATOM 53 CB ARG A 5 -3.120 2.647 -1.310 1.00 0.00 C ATOM 54 CG ARG A 5 -3.553 4.105 -1.155 1.00 0.00 C ATOM 55 CD ARG A 5 -4.850 4.171 -0.348 1.00 0.00 C ATOM 56 NE ARG A 5 -4.931 5.578 0.133 1.00 0.00 N ATOM 57 CZ ARG A 5 -5.007 5.828 1.411 1.00 0.00 C ATOM 58 NH1 ARG A 5 -4.042 5.455 2.208 1.00 0.00 N ATOM 59 NH2 ARG A 5 -6.045 6.454 1.893 1.00 0.00 N ATOM 60 H ARG A 5 -0.879 3.600 -1.655 1.00 0.00 H ATOM 61 HA ARG A 5 -2.283 2.655 0.674 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.762 2.482 -2.316 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.962 2.001 -1.117 1.00 0.00 H ATOM 64 HG2 ARG A 5 -2.779 4.657 -0.640 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.715 4.539 -2.130 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.697 3.937 -0.979 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.807 3.494 0.491 1.00 0.00 H ATOM 68 HE ARG A 5 -4.925 6.316 -0.510 1.00 0.00 H ATOM 69 HH11 ARG A 5 -3.245 4.978 1.839 1.00 0.00 H ATOM 70 HH12 ARG A 5 -4.101 5.648 3.187 1.00 0.00 H ATOM 71 HH21 ARG A 5 -6.782 6.743 1.282 1.00 0.00 H ATOM 72 HH22 ARG A 5 -6.102 6.647 2.872 1.00 0.00 H ATOM 73 N GLN A 6 -0.959 0.408 -1.338 1.00 0.00 N ATOM 74 CA GLN A 6 -0.588 -1.031 -1.416 1.00 0.00 C ATOM 75 C GLN A 6 0.322 -1.392 -0.241 1.00 0.00 C ATOM 76 O GLN A 6 0.123 -2.387 0.428 1.00 0.00 O ATOM 77 CB GLN A 6 0.153 -1.172 -2.747 1.00 0.00 C ATOM 78 CG GLN A 6 0.539 -2.636 -2.967 1.00 0.00 C ATOM 79 CD GLN A 6 1.214 -2.797 -4.334 1.00 0.00 C ATOM 80 OE1 GLN A 6 1.834 -3.808 -4.598 1.00 0.00 O ATOM 81 NE2 GLN A 6 1.123 -1.841 -5.220 1.00 0.00 N ATOM 82 H GLN A 6 -0.665 1.028 -2.037 1.00 0.00 H ATOM 83 HA GLN A 6 -1.471 -1.650 -1.416 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.491 -0.844 -3.550 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.046 -0.564 -2.729 1.00 0.00 H ATOM 86 HG2 GLN A 6 1.221 -2.948 -2.189 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.349 -3.250 -2.933 1.00 0.00 H ATOM 88 HE21 GLN A 6 0.625 -1.023 -5.014 1.00 0.00 H ATOM 89 HE22 GLN A 6 1.553 -1.944 -6.095 1.00 0.00 H ATOM 90 N LEU A 7 1.315 -0.584 0.025 1.00 0.00 N ATOM 91 CA LEU A 7 2.223 -0.881 1.169 1.00 0.00 C ATOM 92 C LEU A 7 1.417 -0.893 2.468 1.00 0.00 C ATOM 93 O LEU A 7 1.544 -1.787 3.283 1.00 0.00 O ATOM 94 CB LEU A 7 3.246 0.256 1.173 1.00 0.00 C ATOM 95 CG LEU A 7 4.658 -0.322 1.051 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.422 0.430 -0.041 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.391 -0.164 2.385 1.00 0.00 C ATOM 98 H LEU A 7 1.454 0.220 -0.519 1.00 0.00 H ATOM 99 HA LEU A 7 2.717 -1.827 1.022 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.053 0.916 0.341 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.165 0.810 2.098 1.00 0.00 H ATOM 102 HG LEU A 7 4.597 -1.369 0.792 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.911 1.353 -0.266 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.473 -0.181 -0.930 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.423 0.646 0.304 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.162 -1.005 3.022 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.071 0.750 2.865 1.00 0.00 H ATOM 108 HD23 LEU A 7 6.455 -0.123 2.208 1.00 0.00 H ATOM 109 N GLU A 8 0.568 0.081 2.660 1.00 0.00 N ATOM 110 CA GLU A 8 -0.259 0.101 3.895 1.00 0.00 C ATOM 111 C GLU A 8 -1.174 -1.118 3.884 1.00 0.00 C ATOM 112 O GLU A 8 -1.561 -1.637 4.912 1.00 0.00 O ATOM 113 CB GLU A 8 -1.075 1.393 3.817 1.00 0.00 C ATOM 114 CG GLU A 8 -0.481 2.434 4.768 1.00 0.00 C ATOM 115 CD GLU A 8 -1.560 3.447 5.156 1.00 0.00 C ATOM 116 OE1 GLU A 8 -2.152 4.026 4.259 1.00 0.00 O ATOM 117 OE2 GLU A 8 -1.776 3.627 6.342 1.00 0.00 O ATOM 118 H GLU A 8 0.464 0.783 1.984 1.00 0.00 H ATOM 119 HA GLU A 8 0.366 0.101 4.773 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.052 1.773 2.806 1.00 0.00 H ATOM 121 HB3 GLU A 8 -2.096 1.191 4.102 1.00 0.00 H ATOM 122 HG2 GLU A 8 -0.112 1.940 5.655 1.00 0.00 H ATOM 123 HG3 GLU A 8 0.332 2.948 4.277 1.00 0.00 H ATOM 124 N GLU A 9 -1.504 -1.585 2.712 1.00 0.00 N ATOM 125 CA GLU A 9 -2.378 -2.783 2.603 1.00 0.00 C ATOM 126 C GLU A 9 -1.566 -4.032 2.936 1.00 0.00 C ATOM 127 O GLU A 9 -2.094 -5.036 3.371 1.00 0.00 O ATOM 128 CB GLU A 9 -2.827 -2.810 1.143 1.00 0.00 C ATOM 129 CG GLU A 9 -4.202 -2.153 1.018 1.00 0.00 C ATOM 130 CD GLU A 9 -5.044 -2.932 0.007 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.802 -4.118 -0.145 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.913 -2.329 -0.600 1.00 0.00 O ATOM 133 H GLU A 9 -1.163 -1.152 1.900 1.00 0.00 H ATOM 134 HA GLU A 9 -3.231 -2.696 3.256 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.113 -2.271 0.537 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.887 -3.833 0.803 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.693 -2.160 1.981 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.085 -1.135 0.679 1.00 0.00 H ATOM 139 N PHE A 10 -0.279 -3.968 2.738 1.00 0.00 N ATOM 140 CA PHE A 10 0.587 -5.139 3.045 1.00 0.00 C ATOM 141 C PHE A 10 1.194 -4.978 4.441 1.00 0.00 C ATOM 142 O PHE A 10 1.809 -5.883 4.971 1.00 0.00 O ATOM 143 CB PHE A 10 1.677 -5.113 1.974 1.00 0.00 C ATOM 144 CG PHE A 10 1.692 -6.432 1.235 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.694 -7.635 1.951 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.704 -6.450 -0.165 1.00 0.00 C ATOM 147 CE1 PHE A 10 1.708 -8.857 1.267 1.00 0.00 C ATOM 148 CE2 PHE A 10 1.718 -7.672 -0.849 1.00 0.00 C ATOM 149 CZ PHE A 10 1.720 -8.875 -0.133 1.00 0.00 C ATOM 150 H PHE A 10 0.121 -3.141 2.393 1.00 0.00 H ATOM 151 HA PHE A 10 0.022 -6.055 2.980 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.476 -4.312 1.277 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.637 -4.954 2.440 1.00 0.00 H ATOM 154 HD1 PHE A 10 1.685 -7.620 3.031 1.00 0.00 H ATOM 155 HD2 PHE A 10 1.702 -5.522 -0.717 1.00 0.00 H ATOM 156 HE1 PHE A 10 1.709 -9.784 1.819 1.00 0.00 H ATOM 157 HE2 PHE A 10 1.727 -7.687 -1.928 1.00 0.00 H ATOM 158 HZ PHE A 10 1.732 -9.817 -0.661 1.00 0.00 H ATOM 159 N LEU A 11 1.024 -3.830 5.039 1.00 0.00 N ATOM 160 CA LEU A 11 1.586 -3.607 6.402 1.00 0.00 C ATOM 161 C LEU A 11 0.566 -4.023 7.466 1.00 0.00 C ATOM 162 O LEU A 11 0.818 -3.909 8.648 1.00 0.00 O ATOM 163 CB LEU A 11 1.850 -2.102 6.476 1.00 0.00 C ATOM 164 CG LEU A 11 3.295 -1.849 6.917 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.642 -2.757 8.100 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.240 -2.144 5.749 1.00 0.00 C ATOM 167 H LEU A 11 0.523 -3.115 4.593 1.00 0.00 H ATOM 168 HA LEU A 11 2.508 -4.151 6.526 1.00 0.00 H ATOM 169 HB2 LEU A 11 1.688 -1.661 5.503 1.00 0.00 H ATOM 170 HB3 LEU A 11 1.175 -1.654 7.189 1.00 0.00 H ATOM 171 HG LEU A 11 3.401 -0.816 7.214 1.00 0.00 H ATOM 172 HD11 LEU A 11 2.761 -2.914 8.705 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.412 -2.291 8.697 1.00 0.00 H ATOM 174 HD13 LEU A 11 3.999 -3.708 7.731 1.00 0.00 H ATOM 175 HD21 LEU A 11 3.919 -3.044 5.245 1.00 0.00 H ATOM 176 HD22 LEU A 11 5.244 -2.280 6.124 1.00 0.00 H ATOM 177 HD23 LEU A 11 4.223 -1.317 5.055 1.00 0.00 H HETATM 178 N NH2 A 12 -0.591 -4.499 7.091 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.796 -4.592 6.137 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -1.254 -4.762 7.763 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 93 HETATM 1 C ACE A 1 -0.557 5.780 -3.910 1.00 0.00 C HETATM 2 O ACE A 1 -0.962 5.222 -2.907 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.027 7.215 -3.861 1.00 0.00 C HETATM 4 H1 ACE A 1 1.052 7.203 -3.906 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.343 7.685 -2.940 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.416 7.772 -4.701 1.00 0.00 H ATOM 7 N LEU A 2 -0.551 5.175 -5.067 1.00 0.00 N ATOM 8 CA LEU A 2 -1.048 3.775 -5.177 1.00 0.00 C ATOM 9 C LEU A 2 -0.073 2.836 -4.475 1.00 0.00 C ATOM 10 O LEU A 2 -0.463 1.926 -3.772 1.00 0.00 O ATOM 11 CB LEU A 2 -1.092 3.485 -6.676 1.00 0.00 C ATOM 12 CG LEU A 2 -2.546 3.435 -7.144 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.304 2.375 -6.344 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.196 4.803 -6.923 1.00 0.00 C ATOM 15 H LEU A 2 -0.213 5.636 -5.861 1.00 0.00 H ATOM 16 HA LEU A 2 -2.035 3.686 -4.750 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.567 4.267 -7.209 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.619 2.535 -6.873 1.00 0.00 H ATOM 19 HG LEU A 2 -2.578 3.185 -8.195 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.618 1.581 -7.005 1.00 0.00 H ATOM 21 HD12 LEU A 2 -4.172 2.823 -5.883 1.00 0.00 H ATOM 22 HD13 LEU A 2 -2.658 1.971 -5.578 1.00 0.00 H ATOM 23 HD21 LEU A 2 -4.214 4.668 -6.589 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.191 5.358 -7.850 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.641 5.347 -6.173 1.00 0.00 H ATOM 26 N VAL A 3 1.198 3.068 -4.646 1.00 0.00 N ATOM 27 CA VAL A 3 2.205 2.204 -3.974 1.00 0.00 C ATOM 28 C VAL A 3 2.103 2.412 -2.465 1.00 0.00 C ATOM 29 O VAL A 3 2.431 1.545 -1.678 1.00 0.00 O ATOM 30 CB VAL A 3 3.556 2.677 -4.510 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.673 2.236 -3.560 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.788 2.065 -5.892 1.00 0.00 C ATOM 33 H VAL A 3 1.487 3.820 -5.206 1.00 0.00 H ATOM 34 HA VAL A 3 2.044 1.168 -4.227 1.00 0.00 H ATOM 35 HB VAL A 3 3.554 3.755 -4.588 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.599 2.150 -4.110 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.421 1.280 -3.127 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.787 2.969 -2.775 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.398 1.179 -5.796 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.292 2.782 -6.523 1.00 0.00 H ATOM 41 HG23 VAL A 3 2.838 1.801 -6.333 1.00 0.00 H ATOM 42 N GLY A 4 1.630 3.559 -2.060 1.00 0.00 N ATOM 43 CA GLY A 4 1.481 3.834 -0.605 1.00 0.00 C ATOM 44 C GLY A 4 0.261 3.070 -0.093 1.00 0.00 C ATOM 45 O GLY A 4 0.303 2.433 0.940 1.00 0.00 O ATOM 46 H GLY A 4 1.359 4.235 -2.717 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.367 3.502 -0.081 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.336 4.891 -0.446 1.00 0.00 H ATOM 49 N ARG A 5 -0.822 3.117 -0.821 1.00 0.00 N ATOM 50 CA ARG A 5 -2.041 2.377 -0.386 1.00 0.00 C ATOM 51 C ARG A 5 -1.737 0.875 -0.365 1.00 0.00 C ATOM 52 O ARG A 5 -2.095 0.169 0.558 1.00 0.00 O ATOM 53 CB ARG A 5 -3.105 2.714 -1.438 1.00 0.00 C ATOM 54 CG ARG A 5 -4.164 1.607 -1.495 1.00 0.00 C ATOM 55 CD ARG A 5 -5.215 1.961 -2.550 1.00 0.00 C ATOM 56 NE ARG A 5 -5.790 0.656 -2.977 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.956 0.282 -2.529 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.936 1.141 -2.470 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.141 -0.949 -2.136 1.00 0.00 N ATOM 60 H ARG A 5 -0.829 3.628 -1.658 1.00 0.00 H ATOM 61 HA ARG A 5 -2.360 2.713 0.588 1.00 0.00 H ATOM 62 HB2 ARG A 5 -3.581 3.648 -1.178 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.636 2.809 -2.406 1.00 0.00 H ATOM 64 HG2 ARG A 5 -3.692 0.670 -1.755 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.642 1.514 -0.530 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.983 2.587 -2.116 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.753 2.456 -3.391 1.00 0.00 H ATOM 68 HE ARG A 5 -5.293 0.080 -3.596 1.00 0.00 H ATOM 69 HH11 ARG A 5 -7.793 2.085 -2.770 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.831 0.857 -2.124 1.00 0.00 H ATOM 71 HH21 ARG A 5 -6.388 -1.605 -2.178 1.00 0.00 H ATOM 72 HH22 ARG A 5 -8.035 -1.234 -1.794 1.00 0.00 H ATOM 73 N GLN A 6 -1.065 0.388 -1.372 1.00 0.00 N ATOM 74 CA GLN A 6 -0.723 -1.062 -1.408 1.00 0.00 C ATOM 75 C GLN A 6 0.195 -1.398 -0.232 1.00 0.00 C ATOM 76 O GLN A 6 -0.077 -2.289 0.547 1.00 0.00 O ATOM 77 CB GLN A 6 0.010 -1.264 -2.734 1.00 0.00 C ATOM 78 CG GLN A 6 -0.906 -1.989 -3.722 1.00 0.00 C ATOM 79 CD GLN A 6 -0.059 -2.835 -4.674 1.00 0.00 C ATOM 80 OE1 GLN A 6 1.030 -2.446 -5.046 1.00 0.00 O ATOM 81 NE2 GLN A 6 -0.518 -3.983 -5.089 1.00 0.00 N ATOM 82 H GLN A 6 -0.778 0.976 -2.100 1.00 0.00 H ATOM 83 HA GLN A 6 -1.616 -1.665 -1.380 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.288 -0.301 -3.140 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.897 -1.854 -2.569 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.587 -2.628 -3.179 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.468 -1.264 -4.291 1.00 0.00 H ATOM 88 HE21 GLN A 6 -1.397 -4.297 -4.789 1.00 0.00 H ATOM 89 HE22 GLN A 6 0.017 -4.534 -5.699 1.00 0.00 H ATOM 90 N LEU A 7 1.279 -0.684 -0.093 1.00 0.00 N ATOM 91 CA LEU A 7 2.208 -0.958 1.038 1.00 0.00 C ATOM 92 C LEU A 7 1.426 -0.991 2.349 1.00 0.00 C ATOM 93 O LEU A 7 1.564 -1.900 3.143 1.00 0.00 O ATOM 94 CB LEU A 7 3.197 0.207 1.037 1.00 0.00 C ATOM 95 CG LEU A 7 4.580 -0.297 0.624 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.960 -1.507 1.481 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.552 -0.702 -0.851 1.00 0.00 C ATOM 98 H LEU A 7 1.479 0.036 -0.730 1.00 0.00 H ATOM 99 HA LEU A 7 2.728 -1.889 0.884 1.00 0.00 H ATOM 100 HB2 LEU A 7 2.863 0.960 0.338 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.253 0.633 2.028 1.00 0.00 H ATOM 102 HG LEU A 7 5.307 0.489 0.770 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.896 -2.404 0.884 1.00 0.00 H ATOM 104 HD12 LEU A 7 4.281 -1.582 2.318 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.969 -1.387 1.844 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.168 -1.707 -0.941 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.553 -0.661 -1.254 1.00 0.00 H ATOM 108 HD23 LEU A 7 3.915 -0.023 -1.399 1.00 0.00 H ATOM 109 N GLU A 8 0.594 -0.013 2.577 1.00 0.00 N ATOM 110 CA GLU A 8 -0.207 -0.003 3.829 1.00 0.00 C ATOM 111 C GLU A 8 -1.153 -1.196 3.812 1.00 0.00 C ATOM 112 O GLU A 8 -1.551 -1.708 4.838 1.00 0.00 O ATOM 113 CB GLU A 8 -0.985 1.314 3.805 1.00 0.00 C ATOM 114 CG GLU A 8 -0.551 2.188 4.986 1.00 0.00 C ATOM 115 CD GLU A 8 -1.309 3.517 4.945 1.00 0.00 C ATOM 116 OE1 GLU A 8 -0.931 4.368 4.155 1.00 0.00 O ATOM 117 OE2 GLU A 8 -2.251 3.663 5.706 1.00 0.00 O ATOM 118 H GLU A 8 0.485 0.702 1.919 1.00 0.00 H ATOM 119 HA GLU A 8 0.438 -0.044 4.692 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.785 1.834 2.880 1.00 0.00 H ATOM 121 HB3 GLU A 8 -2.042 1.109 3.883 1.00 0.00 H ATOM 122 HG2 GLU A 8 -0.771 1.676 5.911 1.00 0.00 H ATOM 123 HG3 GLU A 8 0.510 2.378 4.923 1.00 0.00 H ATOM 124 N GLU A 9 -1.495 -1.657 2.641 1.00 0.00 N ATOM 125 CA GLU A 9 -2.393 -2.836 2.546 1.00 0.00 C ATOM 126 C GLU A 9 -1.621 -4.075 2.986 1.00 0.00 C ATOM 127 O GLU A 9 -2.172 -5.010 3.531 1.00 0.00 O ATOM 128 CB GLU A 9 -2.777 -2.928 1.069 1.00 0.00 C ATOM 129 CG GLU A 9 -4.246 -3.340 0.940 1.00 0.00 C ATOM 130 CD GLU A 9 -4.360 -4.531 -0.013 1.00 0.00 C ATOM 131 OE1 GLU A 9 -3.758 -5.553 0.272 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.045 -4.399 -1.014 1.00 0.00 O ATOM 133 H GLU A 9 -1.144 -1.237 1.826 1.00 0.00 H ATOM 134 HA GLU A 9 -3.270 -2.697 3.157 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.631 -1.966 0.600 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.155 -3.664 0.582 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.629 -3.615 1.913 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.818 -2.513 0.548 1.00 0.00 H ATOM 139 N PHE A 10 -0.334 -4.073 2.771 1.00 0.00 N ATOM 140 CA PHE A 10 0.497 -5.234 3.195 1.00 0.00 C ATOM 141 C PHE A 10 1.156 -4.916 4.538 1.00 0.00 C ATOM 142 O PHE A 10 1.746 -5.769 5.170 1.00 0.00 O ATOM 143 CB PHE A 10 1.554 -5.397 2.102 1.00 0.00 C ATOM 144 CG PHE A 10 0.889 -5.380 0.747 1.00 0.00 C ATOM 145 CD1 PHE A 10 -0.384 -5.940 0.584 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.548 -4.808 -0.347 1.00 0.00 C ATOM 147 CE1 PHE A 10 -0.998 -5.928 -0.674 1.00 0.00 C ATOM 148 CE2 PHE A 10 0.934 -4.794 -1.605 1.00 0.00 C ATOM 149 CZ PHE A 10 -0.340 -5.355 -1.768 1.00 0.00 C ATOM 150 H PHE A 10 0.090 -3.296 2.346 1.00 0.00 H ATOM 151 HA PHE A 10 -0.107 -6.125 3.268 1.00 0.00 H ATOM 152 HB2 PHE A 10 2.265 -4.586 2.165 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.069 -6.337 2.238 1.00 0.00 H ATOM 154 HD1 PHE A 10 -0.891 -6.381 1.429 1.00 0.00 H ATOM 155 HD2 PHE A 10 2.530 -4.375 -0.223 1.00 0.00 H ATOM 156 HE1 PHE A 10 -1.979 -6.360 -0.799 1.00 0.00 H ATOM 157 HE2 PHE A 10 1.442 -4.352 -2.450 1.00 0.00 H ATOM 158 HZ PHE A 10 -0.813 -5.347 -2.738 1.00 0.00 H ATOM 159 N LEU A 11 1.052 -3.686 4.974 1.00 0.00 N ATOM 160 CA LEU A 11 1.662 -3.290 6.277 1.00 0.00 C ATOM 161 C LEU A 11 3.019 -3.971 6.465 1.00 0.00 C ATOM 162 O LEU A 11 3.224 -4.698 7.417 1.00 0.00 O ATOM 163 CB LEU A 11 0.670 -3.768 7.336 1.00 0.00 C ATOM 164 CG LEU A 11 0.500 -2.684 8.398 1.00 0.00 C ATOM 165 CD1 LEU A 11 1.877 -2.225 8.882 1.00 0.00 C ATOM 166 CD2 LEU A 11 -0.252 -1.495 7.796 1.00 0.00 C ATOM 167 H LEU A 11 0.564 -3.020 4.444 1.00 0.00 H ATOM 168 HA LEU A 11 1.769 -2.219 6.333 1.00 0.00 H ATOM 169 HB2 LEU A 11 -0.283 -3.969 6.868 1.00 0.00 H ATOM 170 HB3 LEU A 11 1.043 -4.668 7.799 1.00 0.00 H ATOM 171 HG LEU A 11 -0.059 -3.082 9.232 1.00 0.00 H ATOM 172 HD11 LEU A 11 2.351 -1.637 8.109 1.00 0.00 H ATOM 173 HD12 LEU A 11 2.487 -3.089 9.102 1.00 0.00 H ATOM 174 HD13 LEU A 11 1.765 -1.626 9.773 1.00 0.00 H ATOM 175 HD21 LEU A 11 -0.973 -1.126 8.510 1.00 0.00 H ATOM 176 HD22 LEU A 11 -0.761 -1.810 6.899 1.00 0.00 H ATOM 177 HD23 LEU A 11 0.450 -0.711 7.555 1.00 0.00 H HETATM 178 N NH2 A 12 3.962 -3.765 5.589 1.00 0.00 N HETATM 179 HN1 NH2 A 12 3.798 -3.180 4.822 1.00 0.00 H HETATM 180 HN2 NH2 A 12 4.835 -4.196 5.698 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 94 HETATM 1 C ACE A 1 -0.589 5.679 -4.139 1.00 0.00 C HETATM 2 O ACE A 1 -0.938 5.164 -3.094 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.048 7.109 -4.178 1.00 0.00 C HETATM 4 H1 ACE A 1 1.030 7.083 -4.255 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.332 7.627 -3.273 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.457 7.626 -5.032 1.00 0.00 H ATOM 7 N LEU A 2 -0.658 5.027 -5.270 1.00 0.00 N ATOM 8 CA LEU A 2 -1.172 3.631 -5.287 1.00 0.00 C ATOM 9 C LEU A 2 -0.166 2.712 -4.602 1.00 0.00 C ATOM 10 O LEU A 2 -0.527 1.751 -3.949 1.00 0.00 O ATOM 11 CB LEU A 2 -1.319 3.271 -6.766 1.00 0.00 C ATOM 12 CG LEU A 2 -2.764 3.512 -7.211 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.695 2.556 -6.464 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.161 4.957 -6.899 1.00 0.00 C ATOM 15 H LEU A 2 -0.367 5.454 -6.102 1.00 0.00 H ATOM 16 HA LEU A 2 -2.126 3.577 -4.792 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.653 3.886 -7.354 1.00 0.00 H ATOM 18 HB3 LEU A 2 -1.070 2.231 -6.910 1.00 0.00 H ATOM 19 HG LEU A 2 -2.846 3.336 -8.275 1.00 0.00 H ATOM 20 HD11 LEU A 2 -4.397 2.120 -7.159 1.00 0.00 H ATOM 21 HD12 LEU A 2 -4.233 3.101 -5.702 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.112 1.773 -6.002 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.311 5.067 -5.835 1.00 0.00 H ATOM 24 HD22 LEU A 2 -4.077 5.198 -7.419 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.377 5.625 -7.223 1.00 0.00 H ATOM 26 N VAL A 3 1.093 3.012 -4.730 1.00 0.00 N ATOM 27 CA VAL A 3 2.127 2.169 -4.071 1.00 0.00 C ATOM 28 C VAL A 3 2.117 2.448 -2.567 1.00 0.00 C ATOM 29 O VAL A 3 2.466 1.604 -1.761 1.00 0.00 O ATOM 30 CB VAL A 3 3.451 2.607 -4.696 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.570 1.679 -4.220 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.344 2.536 -6.221 1.00 0.00 C ATOM 33 H VAL A 3 1.359 3.798 -5.250 1.00 0.00 H ATOM 34 HA VAL A 3 1.949 1.124 -4.268 1.00 0.00 H ATOM 35 HB VAL A 3 3.674 3.620 -4.395 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.298 0.653 -4.424 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.718 1.808 -3.159 1.00 0.00 H ATOM 38 HG13 VAL A 3 5.484 1.919 -4.744 1.00 0.00 H ATOM 39 HG21 VAL A 3 2.347 2.821 -6.526 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.544 1.527 -6.550 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.062 3.208 -6.665 1.00 0.00 H ATOM 42 N GLY A 4 1.694 3.624 -2.184 1.00 0.00 N ATOM 43 CA GLY A 4 1.639 3.959 -0.735 1.00 0.00 C ATOM 44 C GLY A 4 0.458 3.221 -0.119 1.00 0.00 C ATOM 45 O GLY A 4 0.580 2.566 0.898 1.00 0.00 O ATOM 46 H GLY A 4 1.395 4.279 -2.851 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.558 3.649 -0.256 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.504 5.022 -0.612 1.00 0.00 H ATOM 49 N ARG A 5 -0.684 3.301 -0.745 1.00 0.00 N ATOM 50 CA ARG A 5 -1.869 2.579 -0.208 1.00 0.00 C ATOM 51 C ARG A 5 -1.571 1.080 -0.212 1.00 0.00 C ATOM 52 O ARG A 5 -1.888 0.364 0.720 1.00 0.00 O ATOM 53 CB ARG A 5 -3.015 2.910 -1.166 1.00 0.00 C ATOM 54 CG ARG A 5 -4.325 3.010 -0.382 1.00 0.00 C ATOM 55 CD ARG A 5 -5.141 4.196 -0.901 1.00 0.00 C ATOM 56 NE ARG A 5 -6.082 4.533 0.203 1.00 0.00 N ATOM 57 CZ ARG A 5 -7.137 5.264 -0.040 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.960 4.921 -0.993 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.367 6.335 0.667 1.00 0.00 N ATOM 60 H ARG A 5 -0.755 3.820 -1.577 1.00 0.00 H ATOM 61 HA ARG A 5 -2.103 2.919 0.789 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.814 3.851 -1.656 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.101 2.130 -1.908 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.891 2.098 -0.508 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.107 3.156 0.665 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.491 5.033 -1.114 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.694 3.914 -1.784 1.00 0.00 H ATOM 68 HE ARG A 5 -5.909 4.208 1.111 1.00 0.00 H ATOM 69 HH11 ARG A 5 -7.784 4.101 -1.536 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.767 5.480 -1.180 1.00 0.00 H ATOM 71 HH21 ARG A 5 -6.736 6.599 1.397 1.00 0.00 H ATOM 72 HH22 ARG A 5 -8.175 6.894 0.479 1.00 0.00 H ATOM 73 N GLN A 6 -0.938 0.605 -1.252 1.00 0.00 N ATOM 74 CA GLN A 6 -0.593 -0.841 -1.316 1.00 0.00 C ATOM 75 C GLN A 6 0.254 -1.204 -0.097 1.00 0.00 C ATOM 76 O GLN A 6 -0.038 -2.141 0.619 1.00 0.00 O ATOM 77 CB GLN A 6 0.215 -1.000 -2.605 1.00 0.00 C ATOM 78 CG GLN A 6 -0.186 -2.301 -3.304 1.00 0.00 C ATOM 79 CD GLN A 6 -0.186 -2.089 -4.819 1.00 0.00 C ATOM 80 OE1 GLN A 6 -1.211 -1.804 -5.404 1.00 0.00 O ATOM 81 NE2 GLN A 6 0.931 -2.214 -5.483 1.00 0.00 N ATOM 82 H GLN A 6 -0.678 1.204 -1.984 1.00 0.00 H ATOM 83 HA GLN A 6 -1.485 -1.444 -1.354 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.015 -0.164 -3.259 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.267 -1.030 -2.370 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.518 -3.079 -3.047 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.176 -2.591 -2.983 1.00 0.00 H ATOM 88 HE21 GLN A 6 1.760 -2.441 -5.011 1.00 0.00 H ATOM 89 HE22 GLN A 6 0.941 -2.084 -6.454 1.00 0.00 H ATOM 90 N LEU A 7 1.295 -0.456 0.155 1.00 0.00 N ATOM 91 CA LEU A 7 2.148 -0.752 1.341 1.00 0.00 C ATOM 92 C LEU A 7 1.284 -0.789 2.602 1.00 0.00 C ATOM 93 O LEU A 7 1.438 -1.646 3.453 1.00 0.00 O ATOM 94 CB LEU A 7 3.145 0.406 1.415 1.00 0.00 C ATOM 95 CG LEU A 7 4.503 -0.105 1.907 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.354 1.079 2.370 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.302 -1.072 3.079 1.00 0.00 C ATOM 98 H LEU A 7 1.511 0.306 -0.428 1.00 0.00 H ATOM 99 HA LEU A 7 2.669 -1.685 1.208 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.258 0.844 0.434 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.775 1.153 2.101 1.00 0.00 H ATOM 102 HG LEU A 7 5.009 -0.615 1.100 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.739 1.966 2.423 1.00 0.00 H ATOM 104 HD12 LEU A 7 6.159 1.241 1.669 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.765 0.866 3.347 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.029 -2.045 2.699 1.00 0.00 H ATOM 107 HD22 LEU A 7 3.515 -0.702 3.720 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.220 -1.149 3.643 1.00 0.00 H ATOM 109 N GLU A 8 0.369 0.132 2.725 1.00 0.00 N ATOM 110 CA GLU A 8 -0.515 0.153 3.922 1.00 0.00 C ATOM 111 C GLU A 8 -1.366 -1.112 3.939 1.00 0.00 C ATOM 112 O GLU A 8 -1.778 -1.587 4.979 1.00 0.00 O ATOM 113 CB GLU A 8 -1.391 1.392 3.747 1.00 0.00 C ATOM 114 CG GLU A 8 -1.962 1.813 5.102 1.00 0.00 C ATOM 115 CD GLU A 8 -2.745 3.117 4.942 1.00 0.00 C ATOM 116 OE1 GLU A 8 -2.996 3.501 3.810 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.082 3.711 5.954 1.00 0.00 O ATOM 118 H GLU A 8 0.256 0.806 2.023 1.00 0.00 H ATOM 119 HA GLU A 8 0.070 0.231 4.825 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.798 2.197 3.340 1.00 0.00 H ATOM 121 HB3 GLU A 8 -2.204 1.165 3.071 1.00 0.00 H ATOM 122 HG2 GLU A 8 -2.620 1.039 5.471 1.00 0.00 H ATOM 123 HG3 GLU A 8 -1.154 1.964 5.801 1.00 0.00 H ATOM 124 N GLU A 9 -1.619 -1.667 2.788 1.00 0.00 N ATOM 125 CA GLU A 9 -2.432 -2.913 2.728 1.00 0.00 C ATOM 126 C GLU A 9 -1.514 -4.126 2.879 1.00 0.00 C ATOM 127 O GLU A 9 -1.954 -5.225 3.150 1.00 0.00 O ATOM 128 CB GLU A 9 -3.092 -2.901 1.348 1.00 0.00 C ATOM 129 CG GLU A 9 -4.518 -3.445 1.460 1.00 0.00 C ATOM 130 CD GLU A 9 -4.529 -4.932 1.097 1.00 0.00 C ATOM 131 OE1 GLU A 9 -3.959 -5.275 0.075 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.105 -5.700 1.848 1.00 0.00 O ATOM 133 H GLU A 9 -1.263 -1.266 1.962 1.00 0.00 H ATOM 134 HA GLU A 9 -3.183 -2.911 3.501 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.121 -1.887 0.974 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.524 -3.520 0.670 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.873 -3.318 2.473 1.00 0.00 H ATOM 138 HG3 GLU A 9 -5.164 -2.908 0.781 1.00 0.00 H ATOM 139 N PHE A 10 -0.236 -3.925 2.712 1.00 0.00 N ATOM 140 CA PHE A 10 0.723 -5.055 2.853 1.00 0.00 C ATOM 141 C PHE A 10 1.253 -5.106 4.287 1.00 0.00 C ATOM 142 O PHE A 10 1.784 -6.105 4.729 1.00 0.00 O ATOM 143 CB PHE A 10 1.856 -4.739 1.874 1.00 0.00 C ATOM 144 CG PHE A 10 2.005 -5.875 0.890 1.00 0.00 C ATOM 145 CD1 PHE A 10 0.875 -6.404 0.257 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.273 -6.399 0.612 1.00 0.00 C ATOM 147 CE1 PHE A 10 1.013 -7.458 -0.654 1.00 0.00 C ATOM 148 CE2 PHE A 10 3.411 -7.452 -0.299 1.00 0.00 C ATOM 149 CZ PHE A 10 2.280 -7.982 -0.932 1.00 0.00 C ATOM 150 H PHE A 10 0.094 -3.026 2.502 1.00 0.00 H ATOM 151 HA PHE A 10 0.252 -5.988 2.589 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.627 -3.828 1.340 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.779 -4.614 2.419 1.00 0.00 H ATOM 154 HD1 PHE A 10 -0.104 -6.000 0.471 1.00 0.00 H ATOM 155 HD2 PHE A 10 4.145 -5.990 1.101 1.00 0.00 H ATOM 156 HE1 PHE A 10 0.140 -7.866 -1.142 1.00 0.00 H ATOM 157 HE2 PHE A 10 4.390 -7.856 -0.513 1.00 0.00 H ATOM 158 HZ PHE A 10 2.387 -8.795 -1.636 1.00 0.00 H ATOM 159 N LEU A 11 1.111 -4.032 5.018 1.00 0.00 N ATOM 160 CA LEU A 11 1.605 -4.018 6.425 1.00 0.00 C ATOM 161 C LEU A 11 0.617 -4.748 7.338 1.00 0.00 C ATOM 162 O LEU A 11 1.011 -5.508 8.201 1.00 0.00 O ATOM 163 CB LEU A 11 1.690 -2.539 6.804 1.00 0.00 C ATOM 164 CG LEU A 11 2.836 -2.332 7.795 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.133 -0.837 7.927 1.00 0.00 C ATOM 166 CD2 LEU A 11 2.434 -2.893 9.161 1.00 0.00 C ATOM 167 H LEU A 11 0.676 -3.235 4.641 1.00 0.00 H ATOM 168 HA LEU A 11 2.582 -4.470 6.486 1.00 0.00 H ATOM 169 HB2 LEU A 11 1.869 -1.950 5.916 1.00 0.00 H ATOM 170 HB3 LEU A 11 0.761 -2.230 7.260 1.00 0.00 H ATOM 171 HG LEU A 11 3.717 -2.843 7.439 1.00 0.00 H ATOM 172 HD11 LEU A 11 2.218 -0.306 8.144 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.552 -0.472 7.001 1.00 0.00 H ATOM 174 HD13 LEU A 11 3.839 -0.680 8.729 1.00 0.00 H ATOM 175 HD21 LEU A 11 3.095 -2.500 9.921 1.00 0.00 H ATOM 176 HD22 LEU A 11 2.507 -3.970 9.144 1.00 0.00 H ATOM 177 HD23 LEU A 11 1.417 -2.605 9.384 1.00 0.00 H HETATM 178 N NH2 A 12 -0.661 -4.546 7.182 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.980 -3.933 6.487 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -1.305 -5.007 7.760 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 95 HETATM 1 C ACE A 1 -0.666 5.639 -4.076 1.00 0.00 C HETATM 2 O ACE A 1 -1.114 5.067 -3.100 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.264 7.115 -4.019 1.00 0.00 C HETATM 4 H1 ACE A 1 0.631 7.222 -3.423 1.00 0.00 H HETATM 5 H2 ACE A 1 -1.063 7.689 -3.573 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.076 7.478 -5.019 1.00 0.00 H ATOM 7 N LEU A 2 -0.504 5.015 -5.212 1.00 0.00 N ATOM 8 CA LEU A 2 -0.873 3.577 -5.328 1.00 0.00 C ATOM 9 C LEU A 2 0.122 2.727 -4.542 1.00 0.00 C ATOM 10 O LEU A 2 -0.237 1.750 -3.915 1.00 0.00 O ATOM 11 CB LEU A 2 -0.793 3.263 -6.823 1.00 0.00 C ATOM 12 CG LEU A 2 -1.981 3.904 -7.543 1.00 0.00 C ATOM 13 CD1 LEU A 2 -1.662 4.054 -9.029 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.216 3.015 -7.375 1.00 0.00 C ATOM 15 H LEU A 2 -0.135 5.489 -5.985 1.00 0.00 H ATOM 16 HA LEU A 2 -1.875 3.414 -4.968 1.00 0.00 H ATOM 17 HB2 LEU A 2 0.130 3.658 -7.225 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.819 2.193 -6.968 1.00 0.00 H ATOM 19 HG LEU A 2 -2.176 4.877 -7.116 1.00 0.00 H ATOM 20 HD11 LEU A 2 -1.312 5.057 -9.223 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.552 3.865 -9.610 1.00 0.00 H ATOM 22 HD13 LEU A 2 -0.894 3.346 -9.306 1.00 0.00 H ATOM 23 HD21 LEU A 2 -2.906 1.993 -7.216 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.824 3.072 -8.266 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.790 3.353 -6.525 1.00 0.00 H ATOM 26 N VAL A 3 1.369 3.103 -4.558 1.00 0.00 N ATOM 27 CA VAL A 3 2.387 2.326 -3.797 1.00 0.00 C ATOM 28 C VAL A 3 2.148 2.517 -2.299 1.00 0.00 C ATOM 29 O VAL A 3 2.490 1.675 -1.491 1.00 0.00 O ATOM 30 CB VAL A 3 3.734 2.922 -4.209 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.850 2.289 -3.376 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.984 2.639 -5.692 1.00 0.00 C ATOM 33 H VAL A 3 1.634 3.902 -5.062 1.00 0.00 H ATOM 34 HA VAL A 3 2.345 1.281 -4.061 1.00 0.00 H ATOM 35 HB VAL A 3 3.720 3.989 -4.041 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.494 1.708 -4.019 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.418 1.647 -2.623 1.00 0.00 H ATOM 38 HG13 VAL A 3 5.427 3.067 -2.897 1.00 0.00 H ATOM 39 HG21 VAL A 3 5.018 2.851 -5.929 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.342 3.266 -6.292 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.772 1.602 -5.902 1.00 0.00 H ATOM 42 N GLY A 4 1.547 3.616 -1.929 1.00 0.00 N ATOM 43 CA GLY A 4 1.267 3.868 -0.490 1.00 0.00 C ATOM 44 C GLY A 4 0.064 3.029 -0.075 1.00 0.00 C ATOM 45 O GLY A 4 0.093 2.329 0.918 1.00 0.00 O ATOM 46 H GLY A 4 1.268 4.272 -2.604 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.129 3.588 0.102 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.046 4.913 -0.339 1.00 0.00 H ATOM 49 N ARG A 5 -0.991 3.083 -0.838 1.00 0.00 N ATOM 50 CA ARG A 5 -2.191 2.270 -0.495 1.00 0.00 C ATOM 51 C ARG A 5 -1.789 0.800 -0.374 1.00 0.00 C ATOM 52 O ARG A 5 -2.126 0.124 0.579 1.00 0.00 O ATOM 53 CB ARG A 5 -3.151 2.463 -1.670 1.00 0.00 C ATOM 54 CG ARG A 5 -4.199 3.518 -1.315 1.00 0.00 C ATOM 55 CD ARG A 5 -5.455 3.289 -2.158 1.00 0.00 C ATOM 56 NE ARG A 5 -6.109 4.624 -2.245 1.00 0.00 N ATOM 57 CZ ARG A 5 -7.273 4.745 -2.824 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.378 4.596 -4.117 1.00 0.00 N ATOM 59 NH2 ARG A 5 -8.332 5.015 -2.111 1.00 0.00 N ATOM 60 H ARG A 5 -0.989 3.645 -1.643 1.00 0.00 H ATOM 61 HA ARG A 5 -2.643 2.622 0.418 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.595 2.788 -2.538 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.644 1.529 -1.888 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.448 3.439 -0.267 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.805 4.502 -1.519 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.184 2.936 -3.145 1.00 0.00 H ATOM 67 HD3 ARG A 5 -6.113 2.587 -1.673 1.00 0.00 H ATOM 68 HE ARG A 5 -5.666 5.412 -1.869 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.567 4.390 -4.663 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.270 4.687 -4.559 1.00 0.00 H ATOM 71 HH21 ARG A 5 -8.253 5.129 -1.121 1.00 0.00 H ATOM 72 HH22 ARG A 5 -9.223 5.108 -2.555 1.00 0.00 H ATOM 73 N GLN A 6 -1.063 0.305 -1.337 1.00 0.00 N ATOM 74 CA GLN A 6 -0.628 -1.120 -1.295 1.00 0.00 C ATOM 75 C GLN A 6 0.293 -1.361 -0.096 1.00 0.00 C ATOM 76 O GLN A 6 0.008 -2.172 0.761 1.00 0.00 O ATOM 77 CB GLN A 6 0.129 -1.341 -2.604 1.00 0.00 C ATOM 78 CG GLN A 6 0.717 -2.752 -2.621 1.00 0.00 C ATOM 79 CD GLN A 6 2.191 -2.684 -3.029 1.00 0.00 C ATOM 80 OE1 GLN A 6 2.699 -1.624 -3.336 1.00 0.00 O ATOM 81 NE2 GLN A 6 2.902 -3.778 -3.043 1.00 0.00 N ATOM 82 H GLN A 6 -0.801 0.872 -2.093 1.00 0.00 H ATOM 83 HA GLN A 6 -1.485 -1.774 -1.250 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.550 -1.221 -3.437 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.928 -0.619 -2.684 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.634 -3.189 -1.636 1.00 0.00 H ATOM 87 HG3 GLN A 6 0.177 -3.360 -3.331 1.00 0.00 H ATOM 88 HE21 GLN A 6 2.492 -4.633 -2.793 1.00 0.00 H ATOM 89 HE22 GLN A 6 3.846 -3.746 -3.302 1.00 0.00 H ATOM 90 N LEU A 7 1.399 -0.669 -0.029 1.00 0.00 N ATOM 91 CA LEU A 7 2.331 -0.872 1.118 1.00 0.00 C ATOM 92 C LEU A 7 1.561 -0.846 2.439 1.00 0.00 C ATOM 93 O LEU A 7 1.663 -1.747 3.252 1.00 0.00 O ATOM 94 CB LEU A 7 3.308 0.301 1.050 1.00 0.00 C ATOM 95 CG LEU A 7 4.597 -0.140 0.358 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.383 1.093 -0.091 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.446 -0.955 1.337 1.00 0.00 C ATOM 98 H LEU A 7 1.617 -0.018 -0.731 1.00 0.00 H ATOM 99 HA LEU A 7 2.864 -1.803 1.011 1.00 0.00 H ATOM 100 HB2 LEU A 7 2.858 1.110 0.493 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.536 0.638 2.051 1.00 0.00 H ATOM 102 HG LEU A 7 4.355 -0.747 -0.503 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.851 1.985 0.203 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.495 1.077 -1.165 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.359 1.088 0.373 1.00 0.00 H ATOM 106 HD21 LEU A 7 5.622 -1.939 0.929 1.00 0.00 H ATOM 107 HD22 LEU A 7 4.925 -1.044 2.279 1.00 0.00 H ATOM 108 HD23 LEU A 7 6.392 -0.457 1.494 1.00 0.00 H ATOM 109 N GLU A 8 0.787 0.180 2.658 1.00 0.00 N ATOM 110 CA GLU A 8 0.010 0.268 3.923 1.00 0.00 C ATOM 111 C GLU A 8 -1.060 -0.817 3.942 1.00 0.00 C ATOM 112 O GLU A 8 -1.564 -1.192 4.982 1.00 0.00 O ATOM 113 CB GLU A 8 -0.627 1.658 3.905 1.00 0.00 C ATOM 114 CG GLU A 8 0.465 2.721 4.033 1.00 0.00 C ATOM 115 CD GLU A 8 0.587 3.151 5.497 1.00 0.00 C ATOM 116 OE1 GLU A 8 0.831 2.291 6.327 1.00 0.00 O ATOM 117 OE2 GLU A 8 0.433 4.332 5.762 1.00 0.00 O ATOM 118 H GLU A 8 0.716 0.888 1.990 1.00 0.00 H ATOM 119 HA GLU A 8 0.662 0.168 4.775 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.160 1.798 2.974 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.316 1.750 4.731 1.00 0.00 H ATOM 122 HG2 GLU A 8 1.406 2.312 3.697 1.00 0.00 H ATOM 123 HG3 GLU A 8 0.206 3.578 3.430 1.00 0.00 H ATOM 124 N GLU A 9 -1.401 -1.331 2.796 1.00 0.00 N ATOM 125 CA GLU A 9 -2.432 -2.402 2.747 1.00 0.00 C ATOM 126 C GLU A 9 -1.773 -3.761 2.973 1.00 0.00 C ATOM 127 O GLU A 9 -2.410 -4.715 3.374 1.00 0.00 O ATOM 128 CB GLU A 9 -3.030 -2.320 1.344 1.00 0.00 C ATOM 129 CG GLU A 9 -4.208 -1.345 1.349 1.00 0.00 C ATOM 130 CD GLU A 9 -5.338 -1.918 2.205 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.142 -2.977 2.780 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.380 -1.288 2.274 1.00 0.00 O ATOM 133 H GLU A 9 -0.975 -1.017 1.969 1.00 0.00 H ATOM 134 HA GLU A 9 -3.193 -2.226 3.488 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.277 -1.972 0.651 1.00 0.00 H ATOM 136 HB3 GLU A 9 -3.374 -3.297 1.041 1.00 0.00 H ATOM 137 HG2 GLU A 9 -3.890 -0.398 1.757 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.561 -1.203 0.340 1.00 0.00 H ATOM 139 N PHE A 10 -0.495 -3.853 2.728 1.00 0.00 N ATOM 140 CA PHE A 10 0.208 -5.147 2.940 1.00 0.00 C ATOM 141 C PHE A 10 0.976 -5.110 4.261 1.00 0.00 C ATOM 142 O PHE A 10 1.492 -6.111 4.720 1.00 0.00 O ATOM 143 CB PHE A 10 1.166 -5.288 1.757 1.00 0.00 C ATOM 144 CG PHE A 10 0.755 -6.480 0.923 1.00 0.00 C ATOM 145 CD1 PHE A 10 -0.384 -6.407 0.113 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.510 -7.659 0.965 1.00 0.00 C ATOM 147 CE1 PHE A 10 -0.768 -7.512 -0.657 1.00 0.00 C ATOM 148 CE2 PHE A 10 1.126 -8.763 0.196 1.00 0.00 C ATOM 149 CZ PHE A 10 -0.014 -8.690 -0.615 1.00 0.00 C ATOM 150 H PHE A 10 0.003 -3.065 2.416 1.00 0.00 H ATOM 151 HA PHE A 10 -0.499 -5.963 2.940 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.126 -4.393 1.153 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.172 -5.433 2.121 1.00 0.00 H ATOM 154 HD1 PHE A 10 -0.965 -5.498 0.080 1.00 0.00 H ATOM 155 HD2 PHE A 10 2.389 -7.716 1.592 1.00 0.00 H ATOM 156 HE1 PHE A 10 -1.647 -7.455 -1.283 1.00 0.00 H ATOM 157 HE2 PHE A 10 1.707 -9.673 0.229 1.00 0.00 H ATOM 158 HZ PHE A 10 -0.311 -9.543 -1.207 1.00 0.00 H ATOM 159 N LEU A 11 1.058 -3.962 4.876 1.00 0.00 N ATOM 160 CA LEU A 11 1.798 -3.862 6.169 1.00 0.00 C ATOM 161 C LEU A 11 0.860 -4.161 7.342 1.00 0.00 C ATOM 162 O LEU A 11 1.170 -4.966 8.199 1.00 0.00 O ATOM 163 CB LEU A 11 2.295 -2.418 6.235 1.00 0.00 C ATOM 164 CG LEU A 11 3.684 -2.323 5.602 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.225 -0.902 5.769 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.627 -3.308 6.296 1.00 0.00 C ATOM 167 H LEU A 11 0.634 -3.164 4.488 1.00 0.00 H ATOM 168 HA LEU A 11 2.638 -4.541 6.176 1.00 0.00 H ATOM 169 HB2 LEU A 11 1.609 -1.777 5.696 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.348 -2.101 7.265 1.00 0.00 H ATOM 171 HG LEU A 11 3.618 -2.563 4.550 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.065 -0.574 6.786 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.707 -0.238 5.091 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.282 -0.890 5.548 1.00 0.00 H ATOM 175 HD21 LEU A 11 4.818 -4.146 5.642 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.171 -3.660 7.210 1.00 0.00 H ATOM 177 HD23 LEU A 11 5.559 -2.813 6.527 1.00 0.00 H HETATM 178 N NH2 A 12 -0.283 -3.538 7.419 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.534 -2.890 6.729 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -0.890 -3.719 8.167 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 96 HETATM 1 C ACE A 1 -0.657 5.725 -4.012 1.00 0.00 C HETATM 2 O ACE A 1 -1.070 5.223 -2.984 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.187 7.180 -4.053 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.917 7.780 -4.574 1.00 0.00 H HETATM 5 H2 ACE A 1 0.761 7.237 -4.568 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.069 7.549 -3.045 1.00 0.00 H ATOM 7 N LEU A 2 -0.598 5.039 -5.122 1.00 0.00 N ATOM 8 CA LEU A 2 -1.042 3.616 -5.139 1.00 0.00 C ATOM 9 C LEU A 2 0.008 2.736 -4.461 1.00 0.00 C ATOM 10 O LEU A 2 -0.316 1.796 -3.764 1.00 0.00 O ATOM 11 CB LEU A 2 -1.181 3.252 -6.617 1.00 0.00 C ATOM 12 CG LEU A 2 -2.467 2.450 -6.820 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.907 2.545 -8.282 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.212 0.986 -6.457 1.00 0.00 C ATOM 15 H LEU A 2 -0.259 5.457 -5.940 1.00 0.00 H ATOM 16 HA LEU A 2 -1.992 3.515 -4.643 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.219 4.155 -7.209 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.335 2.656 -6.923 1.00 0.00 H ATOM 19 HG LEU A 2 -3.243 2.851 -6.185 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.442 1.648 -8.555 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.037 2.652 -8.913 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.552 3.401 -8.409 1.00 0.00 H ATOM 23 HD21 LEU A 2 -1.806 0.927 -5.458 1.00 0.00 H ATOM 24 HD22 LEU A 2 -1.510 0.558 -7.157 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.142 0.437 -6.499 1.00 0.00 H ATOM 26 N VAL A 3 1.263 3.039 -4.648 1.00 0.00 N ATOM 27 CA VAL A 3 2.322 2.223 -3.995 1.00 0.00 C ATOM 28 C VAL A 3 2.225 2.405 -2.482 1.00 0.00 C ATOM 29 O VAL A 3 2.554 1.523 -1.710 1.00 0.00 O ATOM 30 CB VAL A 3 3.644 2.776 -4.532 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.674 4.296 -4.368 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.811 2.158 -3.756 1.00 0.00 C ATOM 33 H VAL A 3 1.505 3.809 -5.203 1.00 0.00 H ATOM 34 HA VAL A 3 2.216 1.183 -4.261 1.00 0.00 H ATOM 35 HB VAL A 3 3.736 2.528 -5.578 1.00 0.00 H ATOM 36 HG11 VAL A 3 3.111 4.576 -3.492 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.238 4.761 -5.241 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.698 4.625 -4.260 1.00 0.00 H ATOM 39 HG21 VAL A 3 5.591 2.894 -3.634 1.00 0.00 H ATOM 40 HG22 VAL A 3 5.197 1.310 -4.302 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.467 1.834 -2.785 1.00 0.00 H ATOM 42 N GLY A 4 1.748 3.543 -2.057 1.00 0.00 N ATOM 43 CA GLY A 4 1.598 3.793 -0.597 1.00 0.00 C ATOM 44 C GLY A 4 0.358 3.054 -0.110 1.00 0.00 C ATOM 45 O GLY A 4 0.395 2.331 0.864 1.00 0.00 O ATOM 46 H GLY A 4 1.470 4.226 -2.702 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.473 3.428 -0.075 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.480 4.851 -0.419 1.00 0.00 H ATOM 49 N ARG A 5 -0.739 3.212 -0.797 1.00 0.00 N ATOM 50 CA ARG A 5 -1.976 2.495 -0.390 1.00 0.00 C ATOM 51 C ARG A 5 -1.675 0.998 -0.310 1.00 0.00 C ATOM 52 O ARG A 5 -1.963 0.341 0.673 1.00 0.00 O ATOM 53 CB ARG A 5 -2.981 2.783 -1.507 1.00 0.00 C ATOM 54 CG ARG A 5 -4.338 3.146 -0.901 1.00 0.00 C ATOM 55 CD ARG A 5 -5.357 3.348 -2.027 1.00 0.00 C ATOM 56 NE ARG A 5 -5.970 4.678 -1.757 1.00 0.00 N ATOM 57 CZ ARG A 5 -7.210 4.755 -1.359 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.580 4.159 -0.259 1.00 0.00 N ATOM 59 NH2 ARG A 5 -8.080 5.427 -2.059 1.00 0.00 N ATOM 60 H ARG A 5 -0.743 3.789 -1.593 1.00 0.00 H ATOM 61 HA ARG A 5 -2.342 2.867 0.554 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.623 3.607 -2.106 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.089 1.907 -2.127 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.669 2.347 -0.252 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.248 4.059 -0.333 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.859 3.349 -2.987 1.00 0.00 H ATOM 67 HD3 ARG A 5 -6.113 2.579 -1.995 1.00 0.00 H ATOM 68 HE ARG A 5 -5.442 5.495 -1.878 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.913 3.643 0.278 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.530 4.216 0.046 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.798 5.885 -2.902 1.00 0.00 H ATOM 72 HH22 ARG A 5 -9.030 5.487 -1.752 1.00 0.00 H ATOM 73 N GLN A 6 -1.079 0.458 -1.341 1.00 0.00 N ATOM 74 CA GLN A 6 -0.738 -0.992 -1.336 1.00 0.00 C ATOM 75 C GLN A 6 0.185 -1.296 -0.155 1.00 0.00 C ATOM 76 O GLN A 6 -0.058 -2.202 0.617 1.00 0.00 O ATOM 77 CB GLN A 6 -0.018 -1.234 -2.662 1.00 0.00 C ATOM 78 CG GLN A 6 -1.032 -1.669 -3.720 1.00 0.00 C ATOM 79 CD GLN A 6 -0.695 -3.082 -4.197 1.00 0.00 C ATOM 80 OE1 GLN A 6 -0.467 -3.966 -3.397 1.00 0.00 O ATOM 81 NE2 GLN A 6 -0.657 -3.333 -5.476 1.00 0.00 N ATOM 82 H GLN A 6 -0.847 1.013 -2.116 1.00 0.00 H ATOM 83 HA GLN A 6 -1.632 -1.592 -1.283 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.470 -0.323 -2.981 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.721 -2.012 -2.535 1.00 0.00 H ATOM 86 HG2 GLN A 6 -2.025 -1.658 -3.293 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.994 -0.990 -4.559 1.00 0.00 H ATOM 88 HE21 GLN A 6 -0.845 -2.621 -6.122 1.00 0.00 H ATOM 89 HE22 GLN A 6 -0.442 -4.236 -5.792 1.00 0.00 H ATOM 90 N LEU A 7 1.238 -0.539 0.000 1.00 0.00 N ATOM 91 CA LEU A 7 2.161 -0.783 1.142 1.00 0.00 C ATOM 92 C LEU A 7 1.367 -0.801 2.449 1.00 0.00 C ATOM 93 O LEU A 7 1.548 -1.658 3.293 1.00 0.00 O ATOM 94 CB LEU A 7 3.136 0.398 1.122 1.00 0.00 C ATOM 95 CG LEU A 7 4.478 -0.012 1.742 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.251 1.245 2.149 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.237 -0.879 2.982 1.00 0.00 C ATOM 98 H LEU A 7 1.414 0.195 -0.630 1.00 0.00 H ATOM 99 HA LEU A 7 2.694 -1.710 1.007 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.295 0.713 0.101 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.718 1.216 1.687 1.00 0.00 H ATOM 102 HG LEU A 7 5.054 -0.568 1.016 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.555 2.003 2.477 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.812 1.612 1.303 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.928 1.005 2.955 1.00 0.00 H ATOM 106 HD21 LEU A 7 3.693 -1.768 2.700 1.00 0.00 H ATOM 107 HD22 LEU A 7 3.664 -0.320 3.707 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.187 -1.160 3.415 1.00 0.00 H ATOM 109 N GLU A 8 0.473 0.136 2.613 1.00 0.00 N ATOM 110 CA GLU A 8 -0.350 0.175 3.852 1.00 0.00 C ATOM 111 C GLU A 8 -1.265 -1.046 3.881 1.00 0.00 C ATOM 112 O GLU A 8 -1.692 -1.495 4.927 1.00 0.00 O ATOM 113 CB GLU A 8 -1.164 1.467 3.750 1.00 0.00 C ATOM 114 CG GLU A 8 -0.347 2.633 4.313 1.00 0.00 C ATOM 115 CD GLU A 8 -1.282 3.618 5.015 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.871 4.439 4.330 1.00 0.00 O ATOM 117 OE2 GLU A 8 -1.396 3.535 6.227 1.00 0.00 O ATOM 118 H GLU A 8 0.335 0.806 1.916 1.00 0.00 H ATOM 119 HA GLU A 8 0.280 0.198 4.726 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.402 1.660 2.713 1.00 0.00 H ATOM 121 HB3 GLU A 8 -2.077 1.364 4.316 1.00 0.00 H ATOM 122 HG2 GLU A 8 0.378 2.257 5.020 1.00 0.00 H ATOM 123 HG3 GLU A 8 0.163 3.139 3.507 1.00 0.00 H ATOM 124 N GLU A 9 -1.559 -1.594 2.735 1.00 0.00 N ATOM 125 CA GLU A 9 -2.434 -2.798 2.689 1.00 0.00 C ATOM 126 C GLU A 9 -1.597 -4.054 2.933 1.00 0.00 C ATOM 127 O GLU A 9 -2.107 -5.090 3.311 1.00 0.00 O ATOM 128 CB GLU A 9 -3.027 -2.811 1.280 1.00 0.00 C ATOM 129 CG GLU A 9 -4.414 -2.165 1.304 1.00 0.00 C ATOM 130 CD GLU A 9 -4.268 -0.649 1.437 1.00 0.00 C ATOM 131 OE1 GLU A 9 -3.869 -0.202 2.500 1.00 0.00 O ATOM 132 OE2 GLU A 9 -4.556 0.040 0.473 1.00 0.00 O ATOM 133 H GLU A 9 -1.194 -1.218 1.904 1.00 0.00 H ATOM 134 HA GLU A 9 -3.220 -2.721 3.423 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.383 -2.256 0.613 1.00 0.00 H ATOM 136 HB3 GLU A 9 -3.113 -3.830 0.935 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.936 -2.399 0.387 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.974 -2.547 2.145 1.00 0.00 H ATOM 139 N PHE A 10 -0.312 -3.963 2.733 1.00 0.00 N ATOM 140 CA PHE A 10 0.563 -5.146 2.965 1.00 0.00 C ATOM 141 C PHE A 10 1.195 -5.049 4.354 1.00 0.00 C ATOM 142 O PHE A 10 1.753 -6.001 4.862 1.00 0.00 O ATOM 143 CB PHE A 10 1.632 -5.076 1.874 1.00 0.00 C ATOM 144 CG PHE A 10 1.341 -6.114 0.814 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.837 -7.416 0.953 1.00 0.00 C ATOM 146 CD2 PHE A 10 0.574 -5.773 -0.307 1.00 0.00 C ATOM 147 CE1 PHE A 10 1.566 -8.376 -0.030 1.00 0.00 C ATOM 148 CE2 PHE A 10 0.303 -6.734 -1.290 1.00 0.00 C ATOM 149 CZ PHE A 10 0.799 -8.035 -1.150 1.00 0.00 C ATOM 150 H PHE A 10 0.080 -3.113 2.438 1.00 0.00 H ATOM 151 HA PHE A 10 -0.004 -6.059 2.871 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.627 -4.094 1.426 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.603 -5.269 2.307 1.00 0.00 H ATOM 154 HD1 PHE A 10 2.427 -7.679 1.817 1.00 0.00 H ATOM 155 HD2 PHE A 10 0.191 -4.769 -0.415 1.00 0.00 H ATOM 156 HE1 PHE A 10 1.947 -9.381 0.078 1.00 0.00 H ATOM 157 HE2 PHE A 10 -0.288 -6.470 -2.154 1.00 0.00 H ATOM 158 HZ PHE A 10 0.592 -8.777 -1.908 1.00 0.00 H ATOM 159 N LEU A 11 1.104 -3.902 4.976 1.00 0.00 N ATOM 160 CA LEU A 11 1.695 -3.744 6.337 1.00 0.00 C ATOM 161 C LEU A 11 1.068 -4.752 7.302 1.00 0.00 C ATOM 162 O LEU A 11 -0.138 -4.829 7.426 1.00 0.00 O ATOM 163 CB LEU A 11 1.344 -2.316 6.757 1.00 0.00 C ATOM 164 CG LEU A 11 2.549 -1.664 7.438 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.048 -2.564 8.569 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.670 -1.470 6.415 1.00 0.00 C ATOM 167 H LEU A 11 0.645 -3.147 4.547 1.00 0.00 H ATOM 168 HA LEU A 11 2.766 -3.866 6.302 1.00 0.00 H ATOM 169 HB2 LEU A 11 1.069 -1.742 5.884 1.00 0.00 H ATOM 170 HB3 LEU A 11 0.514 -2.339 7.448 1.00 0.00 H ATOM 171 HG LEU A 11 2.259 -0.707 7.843 1.00 0.00 H ATOM 172 HD11 LEU A 11 2.230 -2.787 9.238 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.832 -2.057 9.113 1.00 0.00 H ATOM 174 HD13 LEU A 11 3.434 -3.483 8.154 1.00 0.00 H ATOM 175 HD21 LEU A 11 3.693 -2.312 5.741 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.616 -1.394 6.929 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.491 -0.564 5.855 1.00 0.00 H HETATM 178 N NH2 A 12 1.843 -5.540 7.996 1.00 0.00 N HETATM 179 HN1 NH2 A 12 2.816 -5.480 7.898 1.00 0.00 H HETATM 180 HN2 NH2 A 12 1.452 -6.192 8.614 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 97 HETATM 1 C ACE A 1 -0.526 5.920 -3.843 1.00 0.00 C HETATM 2 O ACE A 1 -0.889 5.322 -2.847 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.061 7.331 -3.753 1.00 0.00 C HETATM 4 H1 ACE A 1 0.732 7.388 -2.908 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.736 8.047 -3.628 1.00 0.00 H HETATM 6 H3 ACE A 1 0.606 7.553 -4.660 1.00 0.00 H ATOM 7 N LEU A 2 -0.614 5.378 -5.029 1.00 0.00 N ATOM 8 CA LEU A 2 -1.170 4.004 -5.176 1.00 0.00 C ATOM 9 C LEU A 2 -0.202 3.003 -4.555 1.00 0.00 C ATOM 10 O LEU A 2 -0.599 2.046 -3.919 1.00 0.00 O ATOM 11 CB LEU A 2 -1.290 3.775 -6.682 1.00 0.00 C ATOM 12 CG LEU A 2 -2.600 4.379 -7.191 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.307 5.308 -8.370 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.534 3.257 -7.647 1.00 0.00 C ATOM 15 H LEU A 2 -0.306 5.869 -5.817 1.00 0.00 H ATOM 16 HA LEU A 2 -2.138 3.934 -4.709 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.456 4.244 -7.186 1.00 0.00 H ATOM 18 HB3 LEU A 2 -1.283 2.714 -6.886 1.00 0.00 H ATOM 19 HG LEU A 2 -3.070 4.942 -6.397 1.00 0.00 H ATOM 20 HD11 LEU A 2 -2.366 4.748 -9.292 1.00 0.00 H ATOM 21 HD12 LEU A 2 -1.316 5.723 -8.264 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.033 6.108 -8.388 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.991 3.528 -8.588 1.00 0.00 H ATOM 24 HD22 LEU A 2 -4.302 3.103 -6.904 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.967 2.345 -7.772 1.00 0.00 H ATOM 26 N VAL A 3 1.069 3.232 -4.717 1.00 0.00 N ATOM 27 CA VAL A 3 2.071 2.312 -4.117 1.00 0.00 C ATOM 28 C VAL A 3 1.978 2.417 -2.595 1.00 0.00 C ATOM 29 O VAL A 3 2.243 1.474 -1.871 1.00 0.00 O ATOM 30 CB VAL A 3 3.421 2.816 -4.620 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.383 2.932 -6.145 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.706 4.192 -4.013 1.00 0.00 C ATOM 33 H VAL A 3 1.363 4.021 -5.218 1.00 0.00 H ATOM 34 HA VAL A 3 1.903 1.297 -4.442 1.00 0.00 H ATOM 35 HB VAL A 3 4.199 2.123 -4.330 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.368 2.746 -6.547 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.062 3.925 -6.422 1.00 0.00 H ATOM 38 HG13 VAL A 3 2.689 2.205 -6.541 1.00 0.00 H ATOM 39 HG21 VAL A 3 2.967 4.899 -4.363 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.690 4.522 -4.311 1.00 0.00 H ATOM 41 HG23 VAL A 3 3.657 4.127 -2.936 1.00 0.00 H ATOM 42 N GLY A 4 1.574 3.561 -2.111 1.00 0.00 N ATOM 43 CA GLY A 4 1.429 3.745 -0.644 1.00 0.00 C ATOM 44 C GLY A 4 0.215 2.948 -0.185 1.00 0.00 C ATOM 45 O GLY A 4 0.253 2.254 0.808 1.00 0.00 O ATOM 46 H GLY A 4 1.346 4.294 -2.721 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.317 3.386 -0.141 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.278 4.789 -0.420 1.00 0.00 H ATOM 49 N ARG A 5 -0.861 3.028 -0.919 1.00 0.00 N ATOM 50 CA ARG A 5 -2.078 2.255 -0.543 1.00 0.00 C ATOM 51 C ARG A 5 -1.739 0.761 -0.516 1.00 0.00 C ATOM 52 O ARG A 5 -2.111 0.038 0.390 1.00 0.00 O ATOM 53 CB ARG A 5 -3.092 2.550 -1.650 1.00 0.00 C ATOM 54 CG ARG A 5 -4.387 3.091 -1.039 1.00 0.00 C ATOM 55 CD ARG A 5 -4.665 4.491 -1.594 1.00 0.00 C ATOM 56 NE ARG A 5 -6.130 4.696 -1.416 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.975 4.162 -2.257 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.749 4.232 -3.542 1.00 0.00 N ATOM 59 NH2 ARG A 5 -8.045 3.561 -1.815 1.00 0.00 N ATOM 60 H ARG A 5 -0.862 3.587 -1.729 1.00 0.00 H ATOM 61 HA ARG A 5 -2.459 2.580 0.412 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.679 3.284 -2.328 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.305 1.640 -2.191 1.00 0.00 H ATOM 64 HG2 ARG A 5 -5.206 2.432 -1.293 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.286 3.144 0.034 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.109 5.232 -1.037 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.411 4.537 -2.642 1.00 0.00 H ATOM 68 HE ARG A 5 -6.461 5.234 -0.666 1.00 0.00 H ATOM 69 HH11 ARG A 5 -5.931 4.694 -3.881 1.00 0.00 H ATOM 70 HH12 ARG A 5 -7.397 3.824 -4.184 1.00 0.00 H ATOM 71 HH21 ARG A 5 -8.220 3.510 -0.832 1.00 0.00 H ATOM 72 HH22 ARG A 5 -8.691 3.154 -2.460 1.00 0.00 H ATOM 73 N GLN A 6 -1.027 0.299 -1.508 1.00 0.00 N ATOM 74 CA GLN A 6 -0.651 -1.143 -1.557 1.00 0.00 C ATOM 75 C GLN A 6 0.218 -1.504 -0.350 1.00 0.00 C ATOM 76 O GLN A 6 -0.149 -2.325 0.470 1.00 0.00 O ATOM 77 CB GLN A 6 0.147 -1.297 -2.854 1.00 0.00 C ATOM 78 CG GLN A 6 -0.744 -1.906 -3.940 1.00 0.00 C ATOM 79 CD GLN A 6 -0.851 -3.418 -3.729 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.146 -4.112 -3.706 1.00 0.00 O ATOM 81 NE2 GLN A 6 -2.028 -3.961 -3.574 1.00 0.00 N ATOM 82 H GLN A 6 -0.735 0.903 -2.223 1.00 0.00 H ATOM 83 HA GLN A 6 -1.532 -1.764 -1.590 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.497 -0.327 -3.177 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.993 -1.945 -2.680 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.729 -1.463 -3.888 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.312 -1.710 -4.910 1.00 0.00 H ATOM 88 HE21 GLN A 6 -2.832 -3.401 -3.594 1.00 0.00 H ATOM 89 HE22 GLN A 6 -2.107 -4.928 -3.438 1.00 0.00 H ATOM 90 N LEU A 7 1.367 -0.899 -0.232 1.00 0.00 N ATOM 91 CA LEU A 7 2.252 -1.218 0.924 1.00 0.00 C ATOM 92 C LEU A 7 1.474 -1.067 2.235 1.00 0.00 C ATOM 93 O LEU A 7 1.555 -1.900 3.119 1.00 0.00 O ATOM 94 CB LEU A 7 3.396 -0.206 0.848 1.00 0.00 C ATOM 95 CG LEU A 7 4.703 -0.939 0.536 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.095 -0.692 -0.922 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.811 -0.419 1.453 1.00 0.00 C ATOM 98 H LEU A 7 1.649 -0.238 -0.902 1.00 0.00 H ATOM 99 HA LEU A 7 2.638 -2.219 0.832 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.189 0.513 0.067 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.489 0.305 1.793 1.00 0.00 H ATOM 102 HG LEU A 7 4.569 -1.999 0.696 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.360 -1.629 -1.388 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.940 -0.020 -0.957 1.00 0.00 H ATOM 105 HD13 LEU A 7 4.263 -0.250 -1.449 1.00 0.00 H ATOM 106 HD21 LEU A 7 6.734 -0.937 1.235 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.537 -0.591 2.483 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.946 0.640 1.289 1.00 0.00 H ATOM 109 N GLU A 8 0.699 -0.022 2.360 1.00 0.00 N ATOM 110 CA GLU A 8 -0.095 0.155 3.604 1.00 0.00 C ATOM 111 C GLU A 8 -1.002 -1.057 3.767 1.00 0.00 C ATOM 112 O GLU A 8 -1.296 -1.493 4.862 1.00 0.00 O ATOM 113 CB GLU A 8 -0.913 1.428 3.390 1.00 0.00 C ATOM 114 CG GLU A 8 -1.252 2.047 4.748 1.00 0.00 C ATOM 115 CD GLU A 8 -1.234 3.572 4.633 1.00 0.00 C ATOM 116 OE1 GLU A 8 -0.150 4.128 4.557 1.00 0.00 O ATOM 117 OE2 GLU A 8 -2.304 4.159 4.622 1.00 0.00 O ATOM 118 H GLU A 8 0.626 0.625 1.634 1.00 0.00 H ATOM 119 HA GLU A 8 0.554 0.263 4.459 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.338 2.132 2.808 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.827 1.188 2.869 1.00 0.00 H ATOM 122 HG2 GLU A 8 -2.233 1.720 5.057 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.520 1.735 5.477 1.00 0.00 H ATOM 124 N GLU A 9 -1.422 -1.623 2.669 1.00 0.00 N ATOM 125 CA GLU A 9 -2.286 -2.833 2.742 1.00 0.00 C ATOM 126 C GLU A 9 -1.425 -4.024 3.164 1.00 0.00 C ATOM 127 O GLU A 9 -1.899 -4.977 3.749 1.00 0.00 O ATOM 128 CB GLU A 9 -2.824 -3.033 1.324 1.00 0.00 C ATOM 129 CG GLU A 9 -4.316 -3.368 1.385 1.00 0.00 C ATOM 130 CD GLU A 9 -4.550 -4.474 2.416 1.00 0.00 C ATOM 131 OE1 GLU A 9 -3.897 -5.500 2.314 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.379 -4.279 3.290 1.00 0.00 O ATOM 133 H GLU A 9 -1.147 -1.261 1.794 1.00 0.00 H ATOM 134 HA GLU A 9 -3.098 -2.682 3.437 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.681 -2.128 0.755 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.295 -3.846 0.850 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.872 -2.487 1.669 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.648 -3.707 0.416 1.00 0.00 H ATOM 139 N PHE A 10 -0.152 -3.959 2.874 1.00 0.00 N ATOM 140 CA PHE A 10 0.765 -5.070 3.257 1.00 0.00 C ATOM 141 C PHE A 10 1.134 -4.947 4.739 1.00 0.00 C ATOM 142 O PHE A 10 1.558 -5.904 5.355 1.00 0.00 O ATOM 143 CB PHE A 10 2.001 -4.881 2.366 1.00 0.00 C ATOM 144 CG PHE A 10 3.216 -5.495 3.026 1.00 0.00 C ATOM 145 CD1 PHE A 10 3.344 -6.886 3.106 1.00 0.00 C ATOM 146 CD2 PHE A 10 4.212 -4.669 3.562 1.00 0.00 C ATOM 147 CE1 PHE A 10 4.467 -7.453 3.720 1.00 0.00 C ATOM 148 CE2 PHE A 10 5.335 -5.235 4.177 1.00 0.00 C ATOM 149 CZ PHE A 10 5.463 -6.628 4.256 1.00 0.00 C ATOM 150 H PHE A 10 0.201 -3.173 2.406 1.00 0.00 H ATOM 151 HA PHE A 10 0.306 -6.026 3.057 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.833 -5.360 1.412 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.174 -3.827 2.211 1.00 0.00 H ATOM 154 HD1 PHE A 10 2.575 -7.523 2.694 1.00 0.00 H ATOM 155 HD2 PHE A 10 4.114 -3.595 3.501 1.00 0.00 H ATOM 156 HE1 PHE A 10 4.566 -8.527 3.781 1.00 0.00 H ATOM 157 HE2 PHE A 10 6.103 -4.598 4.589 1.00 0.00 H ATOM 158 HZ PHE A 10 6.329 -7.064 4.731 1.00 0.00 H ATOM 159 N LEU A 11 0.979 -3.763 5.292 1.00 0.00 N ATOM 160 CA LEU A 11 1.314 -3.515 6.736 1.00 0.00 C ATOM 161 C LEU A 11 1.367 -4.817 7.540 1.00 0.00 C ATOM 162 O LEU A 11 0.428 -5.589 7.541 1.00 0.00 O ATOM 163 CB LEU A 11 0.182 -2.627 7.250 1.00 0.00 C ATOM 164 CG LEU A 11 0.606 -1.966 8.562 1.00 0.00 C ATOM 165 CD1 LEU A 11 -0.328 -0.794 8.871 1.00 0.00 C ATOM 166 CD2 LEU A 11 0.528 -2.990 9.698 1.00 0.00 C ATOM 167 H LEU A 11 0.643 -3.022 4.744 1.00 0.00 H ATOM 168 HA LEU A 11 2.251 -2.988 6.817 1.00 0.00 H ATOM 169 HB2 LEU A 11 -0.040 -1.865 6.517 1.00 0.00 H ATOM 170 HB3 LEU A 11 -0.698 -3.229 7.422 1.00 0.00 H ATOM 171 HG LEU A 11 1.620 -1.604 8.472 1.00 0.00 H ATOM 172 HD11 LEU A 11 0.149 0.130 8.580 1.00 0.00 H ATOM 173 HD12 LEU A 11 -0.540 -0.773 9.930 1.00 0.00 H ATOM 174 HD13 LEU A 11 -1.249 -0.914 8.320 1.00 0.00 H ATOM 175 HD21 LEU A 11 1.329 -3.707 9.592 1.00 0.00 H ATOM 176 HD22 LEU A 11 -0.422 -3.504 9.654 1.00 0.00 H ATOM 177 HD23 LEU A 11 0.620 -2.484 10.647 1.00 0.00 H HETATM 178 N NH2 A 12 2.440 -5.098 8.229 1.00 0.00 N HETATM 179 HN1 NH2 A 12 3.199 -4.477 8.229 1.00 0.00 H HETATM 180 HN2 NH2 A 12 2.488 -5.930 8.745 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 98 HETATM 1 C ACE A 1 -0.780 5.662 -3.941 1.00 0.00 C HETATM 2 O ACE A 1 -1.332 5.064 -3.038 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.358 7.126 -3.783 1.00 0.00 C HETATM 4 H1 ACE A 1 0.374 7.206 -2.993 1.00 0.00 H HETATM 5 H2 ACE A 1 -1.222 7.725 -3.537 1.00 0.00 H HETATM 6 H3 ACE A 1 0.072 7.479 -4.709 1.00 0.00 H ATOM 7 N LEU A 2 -0.519 5.081 -5.081 1.00 0.00 N ATOM 8 CA LEU A 2 -0.902 3.657 -5.295 1.00 0.00 C ATOM 9 C LEU A 2 0.078 2.743 -4.564 1.00 0.00 C ATOM 10 O LEU A 2 -0.310 1.810 -3.890 1.00 0.00 O ATOM 11 CB LEU A 2 -0.819 3.447 -6.808 1.00 0.00 C ATOM 12 CG LEU A 2 -1.639 2.218 -7.204 1.00 0.00 C ATOM 13 CD1 LEU A 2 -2.988 2.663 -7.769 1.00 0.00 C ATOM 14 CD2 LEU A 2 -0.880 1.424 -8.269 1.00 0.00 C ATOM 15 H LEU A 2 -0.069 5.577 -5.794 1.00 0.00 H ATOM 16 HA LEU A 2 -1.908 3.482 -4.950 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.208 4.319 -7.313 1.00 0.00 H ATOM 18 HB3 LEU A 2 0.212 3.297 -7.094 1.00 0.00 H ATOM 19 HG LEU A 2 -1.800 1.598 -6.335 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.039 2.414 -8.820 1.00 0.00 H ATOM 21 HD12 LEU A 2 -3.095 3.731 -7.648 1.00 0.00 H ATOM 22 HD13 LEU A 2 -3.785 2.159 -7.242 1.00 0.00 H ATOM 23 HD21 LEU A 2 -0.355 2.106 -8.921 1.00 0.00 H ATOM 24 HD22 LEU A 2 -1.579 0.839 -8.848 1.00 0.00 H ATOM 25 HD23 LEU A 2 -0.170 0.767 -7.790 1.00 0.00 H ATOM 26 N VAL A 3 1.347 3.015 -4.678 1.00 0.00 N ATOM 27 CA VAL A 3 2.346 2.169 -3.970 1.00 0.00 C ATOM 28 C VAL A 3 2.218 2.403 -2.465 1.00 0.00 C ATOM 29 O VAL A 3 2.552 1.557 -1.657 1.00 0.00 O ATOM 30 CB VAL A 3 3.706 2.645 -4.480 1.00 0.00 C ATOM 31 CG1 VAL A 3 3.937 4.092 -4.044 1.00 0.00 C ATOM 32 CG2 VAL A 3 4.808 1.755 -3.897 1.00 0.00 C ATOM 33 H VAL A 3 1.639 3.782 -5.216 1.00 0.00 H ATOM 34 HA VAL A 3 2.200 1.127 -4.208 1.00 0.00 H ATOM 35 HB VAL A 3 3.726 2.586 -5.558 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.395 4.106 -3.066 1.00 0.00 H ATOM 37 HG12 VAL A 3 2.991 4.612 -4.006 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.589 4.581 -4.753 1.00 0.00 H ATOM 39 HG21 VAL A 3 5.433 2.341 -3.240 1.00 0.00 H ATOM 40 HG22 VAL A 3 5.406 1.351 -4.699 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.359 0.946 -3.339 1.00 0.00 H ATOM 42 N GLY A 4 1.713 3.548 -2.088 1.00 0.00 N ATOM 43 CA GLY A 4 1.540 3.851 -0.641 1.00 0.00 C ATOM 44 C GLY A 4 0.328 3.082 -0.128 1.00 0.00 C ATOM 45 O GLY A 4 0.376 2.436 0.900 1.00 0.00 O ATOM 46 H GLY A 4 1.434 4.205 -2.762 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.424 3.547 -0.098 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.376 4.910 -0.508 1.00 0.00 H ATOM 49 N ARG A 5 -0.760 3.134 -0.848 1.00 0.00 N ATOM 50 CA ARG A 5 -1.973 2.389 -0.412 1.00 0.00 C ATOM 51 C ARG A 5 -1.658 0.892 -0.380 1.00 0.00 C ATOM 52 O ARG A 5 -2.030 0.186 0.536 1.00 0.00 O ATOM 53 CB ARG A 5 -3.031 2.696 -1.472 1.00 0.00 C ATOM 54 CG ARG A 5 -4.196 3.455 -0.831 1.00 0.00 C ATOM 55 CD ARG A 5 -4.896 2.551 0.188 1.00 0.00 C ATOM 56 NE ARG A 5 -6.284 3.085 0.283 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.550 4.065 1.102 1.00 0.00 C ATOM 58 NH1 ARG A 5 -6.477 3.874 2.392 1.00 0.00 N ATOM 59 NH2 ARG A 5 -6.888 5.236 0.634 1.00 0.00 N ATOM 60 H ARG A 5 -0.773 3.653 -1.682 1.00 0.00 H ATOM 61 HA ARG A 5 -2.302 2.731 0.557 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.593 3.302 -2.253 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.395 1.772 -1.895 1.00 0.00 H ATOM 64 HG2 ARG A 5 -3.820 4.336 -0.331 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.900 3.746 -1.595 1.00 0.00 H ATOM 66 HD2 ARG A 5 -4.907 1.528 -0.163 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.408 2.616 1.148 1.00 0.00 H ATOM 68 HE ARG A 5 -6.996 2.700 -0.269 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.217 2.978 2.751 1.00 0.00 H ATOM 70 HH12 ARG A 5 -6.682 4.624 3.021 1.00 0.00 H ATOM 71 HH21 ARG A 5 -6.945 5.380 -0.355 1.00 0.00 H ATOM 72 HH22 ARG A 5 -7.089 5.987 1.262 1.00 0.00 H ATOM 73 N GLN A 6 -0.964 0.410 -1.374 1.00 0.00 N ATOM 74 CA GLN A 6 -0.609 -1.037 -1.402 1.00 0.00 C ATOM 75 C GLN A 6 0.274 -1.372 -0.201 1.00 0.00 C ATOM 76 O GLN A 6 0.006 -2.297 0.541 1.00 0.00 O ATOM 77 CB GLN A 6 0.164 -1.231 -2.708 1.00 0.00 C ATOM 78 CG GLN A 6 -0.632 -2.147 -3.642 1.00 0.00 C ATOM 79 CD GLN A 6 -1.835 -1.386 -4.200 1.00 0.00 C ATOM 80 OE1 GLN A 6 -2.936 -1.900 -4.225 1.00 0.00 O ATOM 81 NE2 GLN A 6 -1.673 -0.172 -4.650 1.00 0.00 N ATOM 82 H GLN A 6 -0.666 1.000 -2.097 1.00 0.00 H ATOM 83 HA GLN A 6 -1.499 -1.646 -1.403 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.314 -0.273 -3.183 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.122 -1.682 -2.496 1.00 0.00 H ATOM 86 HG2 GLN A 6 0.003 -2.467 -4.457 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.976 -3.010 -3.093 1.00 0.00 H ATOM 88 HE21 GLN A 6 -0.785 0.242 -4.630 1.00 0.00 H ATOM 89 HE22 GLN A 6 -2.437 0.324 -5.010 1.00 0.00 H ATOM 90 N LEU A 7 1.324 -0.624 0.003 1.00 0.00 N ATOM 91 CA LEU A 7 2.218 -0.899 1.163 1.00 0.00 C ATOM 92 C LEU A 7 1.419 -0.833 2.466 1.00 0.00 C ATOM 93 O LEU A 7 1.597 -1.640 3.357 1.00 0.00 O ATOM 94 CB LEU A 7 3.280 0.203 1.113 1.00 0.00 C ATOM 95 CG LEU A 7 3.962 0.330 2.477 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.480 0.252 2.303 1.00 0.00 C ATOM 97 CD2 LEU A 7 3.589 1.674 3.106 1.00 0.00 C ATOM 98 H LEU A 7 1.524 0.122 -0.605 1.00 0.00 H ATOM 99 HA LEU A 7 2.681 -1.866 1.057 1.00 0.00 H ATOM 100 HB2 LEU A 7 4.019 -0.045 0.363 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.813 1.141 0.857 1.00 0.00 H ATOM 102 HG LEU A 7 3.634 -0.475 3.120 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.743 -0.692 1.848 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.958 0.332 3.268 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.813 1.061 1.669 1.00 0.00 H ATOM 106 HD21 LEU A 7 2.543 1.668 3.373 1.00 0.00 H ATOM 107 HD22 LEU A 7 3.775 2.467 2.396 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.187 1.836 3.990 1.00 0.00 H ATOM 109 N GLU A 8 0.531 0.117 2.583 1.00 0.00 N ATOM 110 CA GLU A 8 -0.283 0.222 3.827 1.00 0.00 C ATOM 111 C GLU A 8 -1.259 -0.949 3.896 1.00 0.00 C ATOM 112 O GLU A 8 -1.702 -1.343 4.958 1.00 0.00 O ATOM 113 CB GLU A 8 -1.039 1.545 3.703 1.00 0.00 C ATOM 114 CG GLU A 8 -1.620 1.933 5.064 1.00 0.00 C ATOM 115 CD GLU A 8 -0.504 2.472 5.961 1.00 0.00 C ATOM 116 OE1 GLU A 8 0.202 1.665 6.542 1.00 0.00 O ATOM 117 OE2 GLU A 8 -0.375 3.682 6.048 1.00 0.00 O ATOM 118 H GLU A 8 0.395 0.754 1.851 1.00 0.00 H ATOM 119 HA GLU A 8 0.353 0.232 4.698 1.00 0.00 H ATOM 120 HB2 GLU A 8 -0.361 2.316 3.368 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.841 1.436 2.990 1.00 0.00 H ATOM 122 HG2 GLU A 8 -2.374 2.695 4.929 1.00 0.00 H ATOM 123 HG3 GLU A 8 -2.064 1.065 5.528 1.00 0.00 H ATOM 124 N GLU A 9 -1.587 -1.518 2.770 1.00 0.00 N ATOM 125 CA GLU A 9 -2.524 -2.675 2.772 1.00 0.00 C ATOM 126 C GLU A 9 -1.738 -3.964 3.001 1.00 0.00 C ATOM 127 O GLU A 9 -2.284 -4.976 3.395 1.00 0.00 O ATOM 128 CB GLU A 9 -3.174 -2.670 1.387 1.00 0.00 C ATOM 129 CG GLU A 9 -4.340 -1.679 1.375 1.00 0.00 C ATOM 130 CD GLU A 9 -5.576 -2.338 1.991 1.00 0.00 C ATOM 131 OE1 GLU A 9 -5.415 -3.345 2.660 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.663 -1.826 1.780 1.00 0.00 O ATOM 133 H GLU A 9 -1.208 -1.190 1.925 1.00 0.00 H ATOM 134 HA GLU A 9 -3.272 -2.550 3.535 1.00 0.00 H ATOM 135 HB2 GLU A 9 -2.443 -2.376 0.647 1.00 0.00 H ATOM 136 HB3 GLU A 9 -3.542 -3.658 1.158 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.074 -0.804 1.951 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.558 -1.390 0.359 1.00 0.00 H ATOM 139 N PHE A 10 -0.456 -3.927 2.772 1.00 0.00 N ATOM 140 CA PHE A 10 0.378 -5.139 2.991 1.00 0.00 C ATOM 141 C PHE A 10 1.103 -5.022 4.334 1.00 0.00 C ATOM 142 O PHE A 10 1.650 -5.981 4.840 1.00 0.00 O ATOM 143 CB PHE A 10 1.380 -5.152 1.836 1.00 0.00 C ATOM 144 CG PHE A 10 1.288 -6.471 1.107 1.00 0.00 C ATOM 145 CD1 PHE A 10 0.239 -6.701 0.208 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.247 -7.466 1.332 1.00 0.00 C ATOM 147 CE1 PHE A 10 0.151 -7.925 -0.466 1.00 0.00 C ATOM 148 CE2 PHE A 10 2.159 -8.689 0.658 1.00 0.00 C ATOM 149 CZ PHE A 10 1.110 -8.919 -0.242 1.00 0.00 C ATOM 150 H PHE A 10 -0.038 -3.093 2.466 1.00 0.00 H ATOM 151 HA PHE A 10 -0.232 -6.029 2.965 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.156 -4.346 1.154 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.380 -5.027 2.226 1.00 0.00 H ATOM 154 HD1 PHE A 10 -0.501 -5.934 0.034 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.056 -7.289 2.024 1.00 0.00 H ATOM 156 HE1 PHE A 10 -0.658 -8.101 -1.161 1.00 0.00 H ATOM 157 HE2 PHE A 10 2.898 -9.456 0.832 1.00 0.00 H ATOM 158 HZ PHE A 10 1.042 -9.863 -0.761 1.00 0.00 H ATOM 159 N LEU A 11 1.099 -3.846 4.911 1.00 0.00 N ATOM 160 CA LEU A 11 1.780 -3.644 6.226 1.00 0.00 C ATOM 161 C LEU A 11 3.068 -4.470 6.299 1.00 0.00 C ATOM 162 O LEU A 11 3.079 -5.566 6.823 1.00 0.00 O ATOM 163 CB LEU A 11 0.763 -4.115 7.266 1.00 0.00 C ATOM 164 CG LEU A 11 1.466 -4.396 8.596 1.00 0.00 C ATOM 165 CD1 LEU A 11 0.782 -3.603 9.711 1.00 0.00 C ATOM 166 CD2 LEU A 11 1.382 -5.892 8.910 1.00 0.00 C ATOM 167 H LEU A 11 0.642 -3.093 4.479 1.00 0.00 H ATOM 168 HA LEU A 11 1.998 -2.598 6.377 1.00 0.00 H ATOM 169 HB2 LEU A 11 0.018 -3.345 7.409 1.00 0.00 H ATOM 170 HB3 LEU A 11 0.284 -5.017 6.916 1.00 0.00 H ATOM 171 HG LEU A 11 2.501 -4.097 8.528 1.00 0.00 H ATOM 172 HD11 LEU A 11 1.532 -3.166 10.354 1.00 0.00 H ATOM 173 HD12 LEU A 11 0.152 -4.263 10.288 1.00 0.00 H ATOM 174 HD13 LEU A 11 0.179 -2.819 9.277 1.00 0.00 H ATOM 175 HD21 LEU A 11 1.441 -6.457 7.992 1.00 0.00 H ATOM 176 HD22 LEU A 11 0.445 -6.104 9.403 1.00 0.00 H ATOM 177 HD23 LEU A 11 2.200 -6.170 9.557 1.00 0.00 H HETATM 178 N NH2 A 12 4.167 -3.983 5.791 1.00 0.00 N HETATM 179 HN1 NH2 A 12 4.161 -3.099 5.367 1.00 0.00 H HETATM 180 HN2 NH2 A 12 4.997 -4.501 5.830 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 99 HETATM 1 C ACE A 1 -0.523 5.641 -4.239 1.00 0.00 C HETATM 2 O ACE A 1 -0.850 5.154 -3.171 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.046 7.059 -4.326 1.00 0.00 C HETATM 4 H1 ACE A 1 0.169 7.335 -5.364 1.00 0.00 H HETATM 5 H2 ACE A 1 1.005 7.093 -3.829 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.632 7.750 -3.848 1.00 0.00 H ATOM 7 N LEU A 2 -0.635 4.968 -5.351 1.00 0.00 N ATOM 8 CA LEU A 2 -1.172 3.580 -5.327 1.00 0.00 C ATOM 9 C LEU A 2 -0.188 2.682 -4.585 1.00 0.00 C ATOM 10 O LEU A 2 -0.569 1.771 -3.877 1.00 0.00 O ATOM 11 CB LEU A 2 -1.285 3.164 -6.796 1.00 0.00 C ATOM 12 CG LEU A 2 -2.709 2.687 -7.084 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.691 3.828 -6.814 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.816 2.256 -8.550 1.00 0.00 C ATOM 15 H LEU A 2 -0.355 5.370 -6.199 1.00 0.00 H ATOM 16 HA LEU A 2 -2.141 3.555 -4.854 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.053 4.011 -7.427 1.00 0.00 H ATOM 18 HB3 LEU A 2 -0.590 2.364 -6.998 1.00 0.00 H ATOM 19 HG LEU A 2 -2.945 1.849 -6.443 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.173 4.640 -6.327 1.00 0.00 H ATOM 21 HD12 LEU A 2 -4.488 3.475 -6.177 1.00 0.00 H ATOM 22 HD13 LEU A 2 -4.105 4.173 -7.750 1.00 0.00 H ATOM 23 HD21 LEU A 2 -3.582 2.838 -9.041 1.00 0.00 H ATOM 24 HD22 LEU A 2 -3.074 1.208 -8.600 1.00 0.00 H ATOM 25 HD23 LEU A 2 -1.870 2.418 -9.043 1.00 0.00 H ATOM 26 N VAL A 3 1.079 2.947 -4.730 1.00 0.00 N ATOM 27 CA VAL A 3 2.094 2.125 -4.020 1.00 0.00 C ATOM 28 C VAL A 3 2.037 2.435 -2.523 1.00 0.00 C ATOM 29 O VAL A 3 2.394 1.621 -1.694 1.00 0.00 O ATOM 30 CB VAL A 3 3.441 2.548 -4.606 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.570 1.906 -3.799 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.535 2.086 -6.063 1.00 0.00 C ATOM 33 H VAL A 3 1.359 3.698 -5.297 1.00 0.00 H ATOM 34 HA VAL A 3 1.923 1.074 -4.199 1.00 0.00 H ATOM 35 HB VAL A 3 3.531 3.623 -4.561 1.00 0.00 H ATOM 36 HG11 VAL A 3 4.533 0.833 -3.919 1.00 0.00 H ATOM 37 HG12 VAL A 3 4.453 2.156 -2.756 1.00 0.00 H ATOM 38 HG13 VAL A 3 5.520 2.275 -4.154 1.00 0.00 H ATOM 39 HG21 VAL A 3 2.787 2.595 -6.652 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.368 1.020 -6.113 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.517 2.316 -6.449 1.00 0.00 H ATOM 42 N GLY A 4 1.570 3.604 -2.174 1.00 0.00 N ATOM 43 CA GLY A 4 1.470 3.966 -0.735 1.00 0.00 C ATOM 44 C GLY A 4 0.290 3.213 -0.134 1.00 0.00 C ATOM 45 O GLY A 4 0.406 2.561 0.887 1.00 0.00 O ATOM 46 H GLY A 4 1.272 4.238 -2.860 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.382 3.685 -0.225 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.307 5.028 -0.635 1.00 0.00 H ATOM 49 N ARG A 5 -0.845 3.276 -0.775 1.00 0.00 N ATOM 50 CA ARG A 5 -2.026 2.538 -0.249 1.00 0.00 C ATOM 51 C ARG A 5 -1.679 1.052 -0.162 1.00 0.00 C ATOM 52 O ARG A 5 -1.981 0.385 0.808 1.00 0.00 O ATOM 53 CB ARG A 5 -3.141 2.773 -1.269 1.00 0.00 C ATOM 54 CG ARG A 5 -4.449 3.077 -0.535 1.00 0.00 C ATOM 55 CD ARG A 5 -4.391 4.492 0.043 1.00 0.00 C ATOM 56 NE ARG A 5 -5.521 4.560 1.011 1.00 0.00 N ATOM 57 CZ ARG A 5 -5.362 4.124 2.231 1.00 0.00 C ATOM 58 NH1 ARG A 5 -4.251 4.370 2.872 1.00 0.00 N ATOM 59 NH2 ARG A 5 -6.313 3.442 2.808 1.00 0.00 N ATOM 60 H ARG A 5 -0.911 3.795 -1.609 1.00 0.00 H ATOM 61 HA ARG A 5 -2.315 2.919 0.718 1.00 0.00 H ATOM 62 HB2 ARG A 5 -2.879 3.609 -1.901 1.00 0.00 H ATOM 63 HB3 ARG A 5 -3.268 1.890 -1.875 1.00 0.00 H ATOM 64 HG2 ARG A 5 -5.276 3.003 -1.227 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.585 2.367 0.268 1.00 0.00 H ATOM 66 HD2 ARG A 5 -3.448 4.652 0.549 1.00 0.00 H ATOM 67 HD3 ARG A 5 -4.529 5.224 -0.737 1.00 0.00 H ATOM 68 HE ARG A 5 -6.383 4.932 0.734 1.00 0.00 H ATOM 69 HH11 ARG A 5 -3.523 4.891 2.428 1.00 0.00 H ATOM 70 HH12 ARG A 5 -4.129 4.036 3.807 1.00 0.00 H ATOM 71 HH21 ARG A 5 -7.163 3.255 2.316 1.00 0.00 H ATOM 72 HH22 ARG A 5 -6.193 3.109 3.743 1.00 0.00 H ATOM 73 N GLN A 6 -1.022 0.536 -1.168 1.00 0.00 N ATOM 74 CA GLN A 6 -0.630 -0.900 -1.143 1.00 0.00 C ATOM 75 C GLN A 6 0.281 -1.152 0.061 1.00 0.00 C ATOM 76 O GLN A 6 0.068 -2.067 0.829 1.00 0.00 O ATOM 77 CB GLN A 6 0.126 -1.133 -2.451 1.00 0.00 C ATOM 78 CG GLN A 6 -0.482 -2.328 -3.190 1.00 0.00 C ATOM 79 CD GLN A 6 0.461 -3.527 -3.086 1.00 0.00 C ATOM 80 OE1 GLN A 6 0.104 -4.552 -2.543 1.00 0.00 O ATOM 81 NE2 GLN A 6 1.663 -3.441 -3.590 1.00 0.00 N ATOM 82 H GLN A 6 -0.776 1.097 -1.933 1.00 0.00 H ATOM 83 HA GLN A 6 -1.503 -1.532 -1.097 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.053 -0.251 -3.070 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.165 -1.337 -2.236 1.00 0.00 H ATOM 86 HG2 GLN A 6 -1.435 -2.579 -2.745 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.624 -2.074 -4.229 1.00 0.00 H ATOM 88 HE21 GLN A 6 1.952 -2.612 -4.028 1.00 0.00 H ATOM 89 HE22 GLN A 6 2.276 -4.203 -3.530 1.00 0.00 H ATOM 90 N LEU A 7 1.287 -0.335 0.237 1.00 0.00 N ATOM 91 CA LEU A 7 2.200 -0.517 1.403 1.00 0.00 C ATOM 92 C LEU A 7 1.372 -0.681 2.678 1.00 0.00 C ATOM 93 O LEU A 7 1.470 -1.674 3.378 1.00 0.00 O ATOM 94 CB LEU A 7 3.028 0.768 1.461 1.00 0.00 C ATOM 95 CG LEU A 7 3.807 0.815 2.778 1.00 0.00 C ATOM 96 CD1 LEU A 7 4.574 -0.494 2.966 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.796 1.982 2.745 1.00 0.00 C ATOM 98 H LEU A 7 1.436 0.406 -0.389 1.00 0.00 H ATOM 99 HA LEU A 7 2.845 -1.370 1.253 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.720 0.788 0.631 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.370 1.622 1.404 1.00 0.00 H ATOM 102 HG LEU A 7 3.116 0.948 3.599 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.018 -0.788 2.027 1.00 0.00 H ATOM 104 HD12 LEU A 7 3.894 -1.265 3.301 1.00 0.00 H ATOM 105 HD13 LEU A 7 5.351 -0.353 3.703 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.274 2.905 2.955 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.251 2.041 1.767 1.00 0.00 H ATOM 108 HD23 LEU A 7 5.564 1.826 3.489 1.00 0.00 H ATOM 109 N GLU A 8 0.540 0.279 2.976 1.00 0.00 N ATOM 110 CA GLU A 8 -0.309 0.169 4.193 1.00 0.00 C ATOM 111 C GLU A 8 -1.203 -1.056 4.052 1.00 0.00 C ATOM 112 O GLU A 8 -1.682 -1.613 5.021 1.00 0.00 O ATOM 113 CB GLU A 8 -1.148 1.448 4.223 1.00 0.00 C ATOM 114 CG GLU A 8 -0.257 2.635 4.590 1.00 0.00 C ATOM 115 CD GLU A 8 -1.133 3.835 4.953 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.696 4.427 4.047 1.00 0.00 O ATOM 117 OE2 GLU A 8 -1.226 4.141 6.130 1.00 0.00 O ATOM 118 H GLU A 8 0.461 1.062 2.390 1.00 0.00 H ATOM 119 HA GLU A 8 0.301 0.099 5.080 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.588 1.613 3.250 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.932 1.346 4.959 1.00 0.00 H ATOM 122 HG2 GLU A 8 0.364 2.371 5.434 1.00 0.00 H ATOM 123 HG3 GLU A 8 0.367 2.888 3.748 1.00 0.00 H ATOM 124 N GLU A 9 -1.420 -1.482 2.839 1.00 0.00 N ATOM 125 CA GLU A 9 -2.274 -2.679 2.608 1.00 0.00 C ATOM 126 C GLU A 9 -1.427 -3.948 2.701 1.00 0.00 C ATOM 127 O GLU A 9 -1.938 -5.035 2.881 1.00 0.00 O ATOM 128 CB GLU A 9 -2.834 -2.505 1.195 1.00 0.00 C ATOM 129 CG GLU A 9 -3.840 -3.620 0.904 1.00 0.00 C ATOM 130 CD GLU A 9 -3.255 -4.577 -0.137 1.00 0.00 C ATOM 131 OE1 GLU A 9 -3.160 -4.183 -1.288 1.00 0.00 O ATOM 132 OE2 GLU A 9 -2.912 -5.687 0.235 1.00 0.00 O ATOM 133 H GLU A 9 -1.014 -1.012 2.078 1.00 0.00 H ATOM 134 HA GLU A 9 -3.077 -2.711 3.325 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.326 -1.545 1.119 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.026 -2.555 0.480 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.050 -4.163 1.815 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.753 -3.191 0.522 1.00 0.00 H ATOM 139 N PHE A 10 -0.133 -3.816 2.595 1.00 0.00 N ATOM 140 CA PHE A 10 0.748 -5.012 2.692 1.00 0.00 C ATOM 141 C PHE A 10 1.177 -5.205 4.146 1.00 0.00 C ATOM 142 O PHE A 10 1.591 -6.274 4.547 1.00 0.00 O ATOM 143 CB PHE A 10 1.957 -4.700 1.807 1.00 0.00 C ATOM 144 CG PHE A 10 2.161 -5.824 0.818 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.067 -6.346 0.117 1.00 0.00 C ATOM 146 CD2 PHE A 10 3.443 -6.343 0.602 1.00 0.00 C ATOM 147 CE1 PHE A 10 1.256 -7.387 -0.800 1.00 0.00 C ATOM 148 CE2 PHE A 10 3.632 -7.385 -0.316 1.00 0.00 C ATOM 149 CZ PHE A 10 2.538 -7.907 -1.016 1.00 0.00 C ATOM 150 H PHE A 10 0.260 -2.928 2.462 1.00 0.00 H ATOM 151 HA PHE A 10 0.237 -5.889 2.329 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.784 -3.778 1.273 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.838 -4.600 2.423 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.078 -5.946 0.283 1.00 0.00 H ATOM 155 HD2 PHE A 10 4.287 -5.941 1.144 1.00 0.00 H ATOM 156 HE1 PHE A 10 0.412 -7.790 -1.341 1.00 0.00 H ATOM 157 HE2 PHE A 10 4.620 -7.784 -0.481 1.00 0.00 H ATOM 158 HZ PHE A 10 2.684 -8.709 -1.725 1.00 0.00 H ATOM 159 N LEU A 11 1.071 -4.176 4.944 1.00 0.00 N ATOM 160 CA LEU A 11 1.464 -4.307 6.377 1.00 0.00 C ATOM 161 C LEU A 11 0.287 -3.946 7.285 1.00 0.00 C ATOM 162 O LEU A 11 0.206 -4.397 8.411 1.00 0.00 O ATOM 163 CB LEU A 11 2.615 -3.321 6.577 1.00 0.00 C ATOM 164 CG LEU A 11 3.345 -3.658 7.878 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.451 -4.675 7.593 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.961 -2.385 8.465 1.00 0.00 C ATOM 167 H LEU A 11 0.727 -3.318 4.600 1.00 0.00 H ATOM 168 HA LEU A 11 1.802 -5.311 6.582 1.00 0.00 H ATOM 169 HB2 LEU A 11 3.303 -3.396 5.746 1.00 0.00 H ATOM 170 HB3 LEU A 11 2.225 -2.316 6.635 1.00 0.00 H ATOM 171 HG LEU A 11 2.644 -4.079 8.584 1.00 0.00 H ATOM 172 HD11 LEU A 11 4.445 -4.928 6.543 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.280 -5.566 8.179 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.409 -4.250 7.856 1.00 0.00 H ATOM 175 HD21 LEU A 11 4.648 -1.955 7.750 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.491 -2.628 9.373 1.00 0.00 H ATOM 177 HD23 LEU A 11 3.178 -1.675 8.684 1.00 0.00 H HETATM 178 N NH2 A 12 -0.639 -3.144 6.840 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -0.576 -2.780 5.932 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -1.397 -2.906 7.412 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 100 HETATM 1 C ACE A 1 -0.515 5.587 -4.166 1.00 0.00 C HETATM 2 O ACE A 1 -0.845 5.126 -3.089 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.037 7.035 -4.297 1.00 0.00 C HETATM 4 H1 ACE A 1 1.041 7.064 -4.231 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.462 7.627 -3.500 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.352 7.433 -5.250 1.00 0.00 H ATOM 7 N LEU A 2 -0.548 4.861 -5.250 1.00 0.00 N ATOM 8 CA LEU A 2 -1.000 3.443 -5.176 1.00 0.00 C ATOM 9 C LEU A 2 0.028 2.628 -4.396 1.00 0.00 C ATOM 10 O LEU A 2 -0.305 1.702 -3.684 1.00 0.00 O ATOM 11 CB LEU A 2 -1.077 2.973 -6.629 1.00 0.00 C ATOM 12 CG LEU A 2 -2.113 3.811 -7.378 1.00 0.00 C ATOM 13 CD1 LEU A 2 -1.411 4.671 -8.432 1.00 0.00 C ATOM 14 CD2 LEU A 2 -3.115 2.880 -8.065 1.00 0.00 C ATOM 15 H LEU A 2 -0.272 5.244 -6.107 1.00 0.00 H ATOM 16 HA LEU A 2 -1.969 3.378 -4.710 1.00 0.00 H ATOM 17 HB2 LEU A 2 -0.109 3.089 -7.097 1.00 0.00 H ATOM 18 HB3 LEU A 2 -1.368 1.934 -6.656 1.00 0.00 H ATOM 19 HG LEU A 2 -2.632 4.450 -6.680 1.00 0.00 H ATOM 20 HD11 LEU A 2 -0.906 5.493 -7.945 1.00 0.00 H ATOM 21 HD12 LEU A 2 -2.141 5.057 -9.127 1.00 0.00 H ATOM 22 HD13 LEU A 2 -0.689 4.070 -8.964 1.00 0.00 H ATOM 23 HD21 LEU A 2 -2.962 2.913 -9.134 1.00 0.00 H ATOM 24 HD22 LEU A 2 -4.119 3.202 -7.835 1.00 0.00 H ATOM 25 HD23 LEU A 2 -2.970 1.871 -7.710 1.00 0.00 H ATOM 26 N VAL A 3 1.275 2.982 -4.515 1.00 0.00 N ATOM 27 CA VAL A 3 2.333 2.248 -3.767 1.00 0.00 C ATOM 28 C VAL A 3 2.181 2.533 -2.274 1.00 0.00 C ATOM 29 O VAL A 3 2.523 1.723 -1.433 1.00 0.00 O ATOM 30 CB VAL A 3 3.652 2.810 -4.296 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.783 2.468 -3.325 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.953 2.195 -5.665 1.00 0.00 C ATOM 33 H VAL A 3 1.514 3.743 -5.085 1.00 0.00 H ATOM 34 HA VAL A 3 2.270 1.189 -3.962 1.00 0.00 H ATOM 35 HB VAL A 3 3.573 3.884 -4.391 1.00 0.00 H ATOM 36 HG11 VAL A 3 5.104 3.366 -2.814 1.00 0.00 H ATOM 37 HG12 VAL A 3 5.615 2.050 -3.873 1.00 0.00 H ATOM 38 HG13 VAL A 3 4.431 1.748 -2.601 1.00 0.00 H ATOM 39 HG21 VAL A 3 3.062 1.720 -6.050 1.00 0.00 H ATOM 40 HG22 VAL A 3 4.738 1.461 -5.564 1.00 0.00 H ATOM 41 HG23 VAL A 3 4.270 2.971 -6.346 1.00 0.00 H ATOM 42 N GLY A 4 1.652 3.680 -1.942 1.00 0.00 N ATOM 43 CA GLY A 4 1.457 4.026 -0.507 1.00 0.00 C ATOM 44 C GLY A 4 0.248 3.258 0.016 1.00 0.00 C ATOM 45 O GLY A 4 0.298 2.633 1.056 1.00 0.00 O ATOM 46 H GLY A 4 1.368 4.309 -2.640 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.338 3.750 0.055 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.278 5.086 -0.409 1.00 0.00 H ATOM 49 N ARG A 5 -0.836 3.289 -0.709 1.00 0.00 N ATOM 50 CA ARG A 5 -2.045 2.543 -0.264 1.00 0.00 C ATOM 51 C ARG A 5 -1.718 1.050 -0.196 1.00 0.00 C ATOM 52 O ARG A 5 -1.972 0.388 0.791 1.00 0.00 O ATOM 53 CB ARG A 5 -3.100 2.814 -1.337 1.00 0.00 C ATOM 54 CG ARG A 5 -4.422 2.154 -0.938 1.00 0.00 C ATOM 55 CD ARG A 5 -5.492 3.231 -0.746 1.00 0.00 C ATOM 56 NE ARG A 5 -6.351 2.725 0.359 1.00 0.00 N ATOM 57 CZ ARG A 5 -7.404 2.003 0.087 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.413 1.233 -0.966 1.00 0.00 N ATOM 59 NH2 ARG A 5 -8.448 2.054 0.869 1.00 0.00 N ATOM 60 H ARG A 5 -0.849 3.791 -1.553 1.00 0.00 H ATOM 61 HA ARG A 5 -2.384 2.904 0.694 1.00 0.00 H ATOM 62 HB2 ARG A 5 -3.245 3.880 -1.437 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.767 2.405 -2.281 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.731 1.471 -1.715 1.00 0.00 H ATOM 65 HG3 ARG A 5 -4.290 1.613 -0.013 1.00 0.00 H ATOM 66 HD2 ARG A 5 -5.034 4.171 -0.469 1.00 0.00 H ATOM 67 HD3 ARG A 5 -6.078 3.347 -1.646 1.00 0.00 H ATOM 68 HE ARG A 5 -6.125 2.932 1.290 1.00 0.00 H ATOM 69 HH11 ARG A 5 -6.612 1.194 -1.563 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.220 0.679 -1.175 1.00 0.00 H ATOM 71 HH21 ARG A 5 -8.440 2.642 1.677 1.00 0.00 H ATOM 72 HH22 ARG A 5 -9.256 1.501 0.661 1.00 0.00 H ATOM 73 N GLN A 6 -1.141 0.522 -1.240 1.00 0.00 N ATOM 74 CA GLN A 6 -0.781 -0.922 -1.242 1.00 0.00 C ATOM 75 C GLN A 6 0.146 -1.221 -0.064 1.00 0.00 C ATOM 76 O GLN A 6 -0.124 -2.084 0.747 1.00 0.00 O ATOM 77 CB GLN A 6 -0.055 -1.151 -2.568 1.00 0.00 C ATOM 78 CG GLN A 6 -0.168 -2.625 -2.963 1.00 0.00 C ATOM 79 CD GLN A 6 1.232 -3.210 -3.155 1.00 0.00 C ATOM 80 OE1 GLN A 6 2.184 -2.483 -3.358 1.00 0.00 O ATOM 81 NE2 GLN A 6 1.399 -4.503 -3.099 1.00 0.00 N ATOM 82 H GLN A 6 -0.936 1.080 -2.019 1.00 0.00 H ATOM 83 HA GLN A 6 -1.666 -1.535 -1.193 1.00 0.00 H ATOM 84 HB2 GLN A 6 -0.505 -0.535 -3.333 1.00 0.00 H ATOM 85 HB3 GLN A 6 0.986 -0.888 -2.459 1.00 0.00 H ATOM 86 HG2 GLN A 6 -0.683 -3.168 -2.183 1.00 0.00 H ATOM 87 HG3 GLN A 6 -0.721 -2.710 -3.885 1.00 0.00 H ATOM 88 HE21 GLN A 6 0.631 -5.090 -2.937 1.00 0.00 H ATOM 89 HE22 GLN A 6 2.292 -4.888 -3.221 1.00 0.00 H ATOM 90 N LEU A 7 1.234 -0.506 0.043 1.00 0.00 N ATOM 91 CA LEU A 7 2.167 -0.747 1.177 1.00 0.00 C ATOM 92 C LEU A 7 1.376 -0.773 2.486 1.00 0.00 C ATOM 93 O LEU A 7 1.578 -1.622 3.333 1.00 0.00 O ATOM 94 CB LEU A 7 3.138 0.435 1.150 1.00 0.00 C ATOM 95 CG LEU A 7 4.327 0.146 2.067 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.275 -0.842 1.381 1.00 0.00 C ATOM 97 CD2 LEU A 7 5.075 1.449 2.356 1.00 0.00 C ATOM 98 H LEU A 7 1.434 0.192 -0.618 1.00 0.00 H ATOM 99 HA LEU A 7 2.701 -1.674 1.038 1.00 0.00 H ATOM 100 HB2 LEU A 7 3.491 0.588 0.140 1.00 0.00 H ATOM 101 HB3 LEU A 7 2.632 1.325 1.492 1.00 0.00 H ATOM 102 HG LEU A 7 3.971 -0.282 2.994 1.00 0.00 H ATOM 103 HD11 LEU A 7 4.994 -0.950 0.345 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.214 -1.802 1.872 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.288 -0.470 1.443 1.00 0.00 H ATOM 106 HD21 LEU A 7 4.997 2.105 1.501 1.00 0.00 H ATOM 107 HD22 LEU A 7 6.114 1.233 2.553 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.638 1.931 3.219 1.00 0.00 H ATOM 109 N GLU A 8 0.463 0.145 2.649 1.00 0.00 N ATOM 110 CA GLU A 8 -0.353 0.167 3.893 1.00 0.00 C ATOM 111 C GLU A 8 -1.292 -1.036 3.910 1.00 0.00 C ATOM 112 O GLU A 8 -1.750 -1.467 4.949 1.00 0.00 O ATOM 113 CB GLU A 8 -1.149 1.473 3.826 1.00 0.00 C ATOM 114 CG GLU A 8 -0.349 2.596 4.487 1.00 0.00 C ATOM 115 CD GLU A 8 -0.377 2.418 6.005 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.379 2.771 6.606 1.00 0.00 O ATOM 117 OE2 GLU A 8 0.604 1.929 6.543 1.00 0.00 O ATOM 118 H GLU A 8 0.307 0.811 1.949 1.00 0.00 H ATOM 119 HA GLU A 8 0.282 0.160 4.762 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.340 1.725 2.793 1.00 0.00 H ATOM 121 HB3 GLU A 8 -2.087 1.349 4.345 1.00 0.00 H ATOM 122 HG2 GLU A 8 0.673 2.563 4.138 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.786 3.549 4.230 1.00 0.00 H ATOM 124 N GLU A 9 -1.576 -1.585 2.761 1.00 0.00 N ATOM 125 CA GLU A 9 -2.479 -2.768 2.709 1.00 0.00 C ATOM 126 C GLU A 9 -1.665 -4.048 2.900 1.00 0.00 C ATOM 127 O GLU A 9 -2.188 -5.079 3.271 1.00 0.00 O ATOM 128 CB GLU A 9 -3.111 -2.729 1.317 1.00 0.00 C ATOM 129 CG GLU A 9 -4.587 -3.122 1.413 1.00 0.00 C ATOM 130 CD GLU A 9 -5.448 -1.859 1.469 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.915 -0.817 1.811 1.00 0.00 O ATOM 132 OE2 GLU A 9 -6.627 -1.955 1.167 1.00 0.00 O ATOM 133 H GLU A 9 -1.190 -1.222 1.935 1.00 0.00 H ATOM 134 HA GLU A 9 -3.240 -2.692 3.466 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.029 -1.732 0.912 1.00 0.00 H ATOM 136 HB3 GLU A 9 -2.598 -3.425 0.669 1.00 0.00 H ATOM 137 HG2 GLU A 9 -4.861 -3.707 0.547 1.00 0.00 H ATOM 138 HG3 GLU A 9 -4.749 -3.705 2.308 1.00 0.00 H ATOM 139 N PHE A 10 -0.384 -3.984 2.659 1.00 0.00 N ATOM 140 CA PHE A 10 0.468 -5.193 2.838 1.00 0.00 C ATOM 141 C PHE A 10 1.218 -5.103 4.169 1.00 0.00 C ATOM 142 O PHE A 10 1.834 -6.053 4.612 1.00 0.00 O ATOM 143 CB PHE A 10 1.448 -5.178 1.664 1.00 0.00 C ATOM 144 CG PHE A 10 0.945 -6.098 0.576 1.00 0.00 C ATOM 145 CD1 PHE A 10 -0.095 -5.684 -0.265 1.00 0.00 C ATOM 146 CD2 PHE A 10 1.516 -7.366 0.410 1.00 0.00 C ATOM 147 CE1 PHE A 10 -0.563 -6.536 -1.273 1.00 0.00 C ATOM 148 CE2 PHE A 10 1.047 -8.219 -0.597 1.00 0.00 C ATOM 149 CZ PHE A 10 0.008 -7.803 -1.438 1.00 0.00 C ATOM 150 H PHE A 10 0.019 -3.135 2.372 1.00 0.00 H ATOM 151 HA PHE A 10 -0.134 -6.087 2.805 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.533 -4.173 1.277 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.417 -5.517 2.001 1.00 0.00 H ATOM 154 HD1 PHE A 10 -0.536 -4.705 -0.137 1.00 0.00 H ATOM 155 HD2 PHE A 10 2.318 -7.686 1.058 1.00 0.00 H ATOM 156 HE1 PHE A 10 -1.365 -6.216 -1.921 1.00 0.00 H ATOM 157 HE2 PHE A 10 1.487 -9.196 -0.725 1.00 0.00 H ATOM 158 HZ PHE A 10 -0.354 -8.461 -2.215 1.00 0.00 H ATOM 159 N LEU A 11 1.171 -3.966 4.807 1.00 0.00 N ATOM 160 CA LEU A 11 1.883 -3.811 6.109 1.00 0.00 C ATOM 161 C LEU A 11 1.179 -4.630 7.195 1.00 0.00 C ATOM 162 O LEU A 11 0.038 -5.018 7.042 1.00 0.00 O ATOM 163 CB LEU A 11 1.806 -2.317 6.428 1.00 0.00 C ATOM 164 CG LEU A 11 3.044 -1.899 7.222 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.475 -0.495 6.791 1.00 0.00 C ATOM 166 CD2 LEU A 11 2.710 -1.891 8.717 1.00 0.00 C ATOM 167 H LEU A 11 0.667 -3.211 4.429 1.00 0.00 H ATOM 168 HA LEU A 11 2.913 -4.115 6.013 1.00 0.00 H ATOM 169 HB2 LEU A 11 1.763 -1.757 5.506 1.00 0.00 H ATOM 170 HB3 LEU A 11 0.921 -2.118 7.011 1.00 0.00 H ATOM 171 HG LEU A 11 3.848 -2.596 7.034 1.00 0.00 H ATOM 172 HD11 LEU A 11 2.599 0.101 6.577 1.00 0.00 H ATOM 173 HD12 LEU A 11 4.088 -0.563 5.905 1.00 0.00 H ATOM 174 HD13 LEU A 11 4.040 -0.032 7.586 1.00 0.00 H ATOM 175 HD21 LEU A 11 3.616 -2.027 9.288 1.00 0.00 H ATOM 176 HD22 LEU A 11 2.022 -2.694 8.936 1.00 0.00 H ATOM 177 HD23 LEU A 11 2.257 -0.946 8.979 1.00 0.00 H HETATM 178 N NH2 A 12 1.818 -4.911 8.298 1.00 0.00 N HETATM 179 HN1 NH2 A 12 2.738 -4.599 8.424 1.00 0.00 H HETATM 180 HN2 NH2 A 12 1.377 -5.432 9.001 1.00 0.00 H TER 181 NH2 A 12 ENDMDL MODEL 101 HETATM 1 C ACE A 1 -0.546 5.640 -4.099 1.00 0.00 C HETATM 2 O ACE A 1 -0.509 5.193 -2.966 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.008 7.030 -4.425 1.00 0.00 C HETATM 4 H1 ACE A 1 0.819 6.936 -5.134 1.00 0.00 H HETATM 5 H2 ACE A 1 0.374 7.493 -3.520 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.775 7.638 -4.851 1.00 0.00 H ATOM 7 N LEU A 2 -1.051 4.947 -5.085 1.00 0.00 N ATOM 8 CA LEU A 2 -1.594 3.585 -4.824 1.00 0.00 C ATOM 9 C LEU A 2 -0.472 2.705 -4.287 1.00 0.00 C ATOM 10 O LEU A 2 -0.697 1.767 -3.549 1.00 0.00 O ATOM 11 CB LEU A 2 -2.096 3.075 -6.175 1.00 0.00 C ATOM 12 CG LEU A 2 -3.594 3.359 -6.297 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.843 4.317 -7.463 1.00 0.00 C ATOM 14 CD2 LEU A 2 -4.342 2.049 -6.553 1.00 0.00 C ATOM 15 H LEU A 2 -1.061 5.315 -5.989 1.00 0.00 H ATOM 16 HA LEU A 2 -2.407 3.632 -4.116 1.00 0.00 H ATOM 17 HB2 LEU A 2 -1.567 3.578 -6.971 1.00 0.00 H ATOM 18 HB3 LEU A 2 -1.928 2.011 -6.244 1.00 0.00 H ATOM 19 HG LEU A 2 -3.951 3.808 -5.382 1.00 0.00 H ATOM 20 HD11 LEU A 2 -3.953 3.749 -8.375 1.00 0.00 H ATOM 21 HD12 LEU A 2 -3.008 4.995 -7.559 1.00 0.00 H ATOM 22 HD13 LEU A 2 -4.745 4.880 -7.277 1.00 0.00 H ATOM 23 HD21 LEU A 2 -4.269 1.790 -7.598 1.00 0.00 H ATOM 24 HD22 LEU A 2 -5.381 2.170 -6.285 1.00 0.00 H ATOM 25 HD23 LEU A 2 -3.906 1.263 -5.955 1.00 0.00 H ATOM 26 N VAL A 3 0.744 3.026 -4.630 1.00 0.00 N ATOM 27 CA VAL A 3 1.887 2.229 -4.108 1.00 0.00 C ATOM 28 C VAL A 3 1.993 2.479 -2.604 1.00 0.00 C ATOM 29 O VAL A 3 2.357 1.609 -1.837 1.00 0.00 O ATOM 30 CB VAL A 3 3.125 2.752 -4.838 1.00 0.00 C ATOM 31 CG1 VAL A 3 2.838 2.835 -6.339 1.00 0.00 C ATOM 32 CG2 VAL A 3 3.480 4.141 -4.305 1.00 0.00 C ATOM 33 H VAL A 3 0.901 3.806 -5.208 1.00 0.00 H ATOM 34 HA VAL A 3 1.744 1.180 -4.312 1.00 0.00 H ATOM 35 HB VAL A 3 3.952 2.078 -4.668 1.00 0.00 H ATOM 36 HG11 VAL A 3 2.196 2.016 -6.628 1.00 0.00 H ATOM 37 HG12 VAL A 3 3.767 2.775 -6.887 1.00 0.00 H ATOM 38 HG13 VAL A 3 2.349 3.771 -6.561 1.00 0.00 H ATOM 39 HG21 VAL A 3 4.398 4.480 -4.761 1.00 0.00 H ATOM 40 HG22 VAL A 3 3.605 4.093 -3.233 1.00 0.00 H ATOM 41 HG23 VAL A 3 2.683 4.831 -4.543 1.00 0.00 H ATOM 42 N GLY A 4 1.641 3.664 -2.176 1.00 0.00 N ATOM 43 CA GLY A 4 1.681 3.971 -0.723 1.00 0.00 C ATOM 44 C GLY A 4 0.545 3.202 -0.057 1.00 0.00 C ATOM 45 O GLY A 4 0.728 2.543 0.950 1.00 0.00 O ATOM 46 H GLY A 4 1.326 4.340 -2.811 1.00 0.00 H ATOM 47 HA2 GLY A 4 2.632 3.664 -0.308 1.00 0.00 H ATOM 48 HA3 GLY A 4 1.538 5.030 -0.567 1.00 0.00 H ATOM 49 N ARG A 5 -0.625 3.257 -0.638 1.00 0.00 N ATOM 50 CA ARG A 5 -1.772 2.502 -0.061 1.00 0.00 C ATOM 51 C ARG A 5 -1.452 1.013 -0.131 1.00 0.00 C ATOM 52 O ARG A 5 -1.885 0.228 0.690 1.00 0.00 O ATOM 53 CB ARG A 5 -2.972 2.840 -0.946 1.00 0.00 C ATOM 54 CG ARG A 5 -4.126 1.888 -0.621 1.00 0.00 C ATOM 55 CD ARG A 5 -5.455 2.643 -0.701 1.00 0.00 C ATOM 56 NE ARG A 5 -5.495 3.202 -2.081 1.00 0.00 N ATOM 57 CZ ARG A 5 -6.640 3.444 -2.656 1.00 0.00 C ATOM 58 NH1 ARG A 5 -7.376 2.456 -3.093 1.00 0.00 N ATOM 59 NH2 ARG A 5 -7.048 4.674 -2.802 1.00 0.00 N ATOM 60 H ARG A 5 -0.740 3.777 -1.466 1.00 0.00 H ATOM 61 HA ARG A 5 -1.957 2.805 0.957 1.00 0.00 H ATOM 62 HB2 ARG A 5 -3.279 3.858 -0.761 1.00 0.00 H ATOM 63 HB3 ARG A 5 -2.697 2.729 -1.985 1.00 0.00 H ATOM 64 HG2 ARG A 5 -4.131 1.076 -1.333 1.00 0.00 H ATOM 65 HG3 ARG A 5 -3.998 1.494 0.375 1.00 0.00 H ATOM 66 HD2 ARG A 5 -6.281 1.964 -0.544 1.00 0.00 H ATOM 67 HD3 ARG A 5 -5.479 3.443 0.023 1.00 0.00 H ATOM 68 HE ARG A 5 -4.659 3.395 -2.555 1.00 0.00 H ATOM 69 HH11 ARG A 5 -7.064 1.513 -2.985 1.00 0.00 H ATOM 70 HH12 ARG A 5 -8.255 2.644 -3.534 1.00 0.00 H ATOM 71 HH21 ARG A 5 -6.482 5.429 -2.472 1.00 0.00 H ATOM 72 HH22 ARG A 5 -7.926 4.862 -3.241 1.00 0.00 H ATOM 73 N GLN A 6 -0.671 0.627 -1.105 1.00 0.00 N ATOM 74 CA GLN A 6 -0.285 -0.801 -1.234 1.00 0.00 C ATOM 75 C GLN A 6 0.616 -1.175 -0.055 1.00 0.00 C ATOM 76 O GLN A 6 0.387 -2.149 0.635 1.00 0.00 O ATOM 77 CB GLN A 6 0.471 -0.888 -2.561 1.00 0.00 C ATOM 78 CG GLN A 6 -0.204 -1.924 -3.461 1.00 0.00 C ATOM 79 CD GLN A 6 0.545 -2.014 -4.790 1.00 0.00 C ATOM 80 OE1 GLN A 6 1.758 -2.101 -4.814 1.00 0.00 O ATOM 81 NE2 GLN A 6 -0.130 -2.000 -5.905 1.00 0.00 N ATOM 82 H GLN A 6 -0.325 1.285 -1.742 1.00 0.00 H ATOM 83 HA GLN A 6 -1.161 -1.429 -1.261 1.00 0.00 H ATOM 84 HB2 GLN A 6 0.455 0.076 -3.048 1.00 0.00 H ATOM 85 HB3 GLN A 6 1.494 -1.183 -2.377 1.00 0.00 H ATOM 86 HG2 GLN A 6 -0.190 -2.888 -2.973 1.00 0.00 H ATOM 87 HG3 GLN A 6 -1.227 -1.628 -3.646 1.00 0.00 H ATOM 88 HE21 GLN A 6 -1.109 -1.932 -5.883 1.00 0.00 H ATOM 89 HE22 GLN A 6 0.338 -2.058 -6.765 1.00 0.00 H ATOM 90 N LEU A 7 1.626 -0.389 0.204 1.00 0.00 N ATOM 91 CA LEU A 7 2.508 -0.691 1.363 1.00 0.00 C ATOM 92 C LEU A 7 1.627 -0.859 2.598 1.00 0.00 C ATOM 93 O LEU A 7 1.762 -1.800 3.360 1.00 0.00 O ATOM 94 CB LEU A 7 3.417 0.534 1.513 1.00 0.00 C ATOM 95 CG LEU A 7 4.759 0.278 0.820 1.00 0.00 C ATOM 96 CD1 LEU A 7 5.570 -0.735 1.628 1.00 0.00 C ATOM 97 CD2 LEU A 7 4.511 -0.270 -0.587 1.00 0.00 C ATOM 98 H LEU A 7 1.787 0.407 -0.347 1.00 0.00 H ATOM 99 HA LEU A 7 3.092 -1.579 1.181 1.00 0.00 H ATOM 100 HB2 LEU A 7 2.938 1.393 1.066 1.00 0.00 H ATOM 101 HB3 LEU A 7 3.589 0.727 2.563 1.00 0.00 H ATOM 102 HG LEU A 7 5.309 1.207 0.753 1.00 0.00 H ATOM 103 HD11 LEU A 7 5.547 -1.694 1.132 1.00 0.00 H ATOM 104 HD12 LEU A 7 5.146 -0.830 2.617 1.00 0.00 H ATOM 105 HD13 LEU A 7 6.593 -0.396 1.706 1.00 0.00 H ATOM 106 HD21 LEU A 7 3.793 -1.075 -0.539 1.00 0.00 H ATOM 107 HD22 LEU A 7 5.439 -0.641 -0.998 1.00 0.00 H ATOM 108 HD23 LEU A 7 4.129 0.519 -1.217 1.00 0.00 H ATOM 109 N GLU A 8 0.700 0.040 2.783 1.00 0.00 N ATOM 110 CA GLU A 8 -0.218 -0.070 3.949 1.00 0.00 C ATOM 111 C GLU A 8 -1.172 -1.239 3.719 1.00 0.00 C ATOM 112 O GLU A 8 -1.724 -1.800 4.645 1.00 0.00 O ATOM 113 CB GLU A 8 -0.980 1.253 3.990 1.00 0.00 C ATOM 114 CG GLU A 8 -0.096 2.331 4.621 1.00 0.00 C ATOM 115 CD GLU A 8 0.409 1.846 5.982 1.00 0.00 C ATOM 116 OE1 GLU A 8 -0.419 1.534 6.822 1.00 0.00 O ATOM 117 OE2 GLU A 8 1.614 1.793 6.159 1.00 0.00 O ATOM 118 H GLU A 8 0.596 0.777 2.143 1.00 0.00 H ATOM 119 HA GLU A 8 0.342 -0.209 4.859 1.00 0.00 H ATOM 120 HB2 GLU A 8 -1.246 1.547 2.985 1.00 0.00 H ATOM 121 HB3 GLU A 8 -1.876 1.135 4.579 1.00 0.00 H ATOM 122 HG2 GLU A 8 0.748 2.527 3.975 1.00 0.00 H ATOM 123 HG3 GLU A 8 -0.668 3.235 4.754 1.00 0.00 H ATOM 124 N GLU A 9 -1.352 -1.623 2.483 1.00 0.00 N ATOM 125 CA GLU A 9 -2.249 -2.773 2.188 1.00 0.00 C ATOM 126 C GLU A 9 -1.524 -4.058 2.568 1.00 0.00 C ATOM 127 O GLU A 9 -2.128 -5.050 2.920 1.00 0.00 O ATOM 128 CB GLU A 9 -2.514 -2.706 0.681 1.00 0.00 C ATOM 129 CG GLU A 9 -3.086 -4.036 0.195 1.00 0.00 C ATOM 130 CD GLU A 9 -3.688 -3.850 -1.200 1.00 0.00 C ATOM 131 OE1 GLU A 9 -3.747 -2.717 -1.652 1.00 0.00 O ATOM 132 OE2 GLU A 9 -4.075 -4.841 -1.794 1.00 0.00 O ATOM 133 H GLU A 9 -0.882 -1.166 1.754 1.00 0.00 H ATOM 134 HA GLU A 9 -3.172 -2.683 2.736 1.00 0.00 H ATOM 135 HB2 GLU A 9 -3.220 -1.915 0.478 1.00 0.00 H ATOM 136 HB3 GLU A 9 -1.591 -2.503 0.164 1.00 0.00 H ATOM 137 HG2 GLU A 9 -2.296 -4.773 0.155 1.00 0.00 H ATOM 138 HG3 GLU A 9 -3.855 -4.367 0.875 1.00 0.00 H ATOM 139 N PHE A 10 -0.220 -4.025 2.531 1.00 0.00 N ATOM 140 CA PHE A 10 0.575 -5.219 2.925 1.00 0.00 C ATOM 141 C PHE A 10 0.910 -5.113 4.416 1.00 0.00 C ATOM 142 O PHE A 10 1.288 -6.076 5.052 1.00 0.00 O ATOM 143 CB PHE A 10 1.849 -5.152 2.078 1.00 0.00 C ATOM 144 CG PHE A 10 1.875 -6.300 1.093 1.00 0.00 C ATOM 145 CD1 PHE A 10 1.091 -6.245 -0.064 1.00 0.00 C ATOM 146 CD2 PHE A 10 2.688 -7.415 1.334 1.00 0.00 C ATOM 147 CE1 PHE A 10 1.119 -7.304 -0.982 1.00 0.00 C ATOM 148 CE2 PHE A 10 2.717 -8.473 0.416 1.00 0.00 C ATOM 149 CZ PHE A 10 1.931 -8.417 -0.741 1.00 0.00 C ATOM 150 H PHE A 10 0.238 -3.200 2.267 1.00 0.00 H ATOM 151 HA PHE A 10 0.031 -6.128 2.717 1.00 0.00 H ATOM 152 HB2 PHE A 10 1.871 -4.217 1.536 1.00 0.00 H ATOM 153 HB3 PHE A 10 2.714 -5.214 2.723 1.00 0.00 H ATOM 154 HD1 PHE A 10 0.463 -5.387 -0.249 1.00 0.00 H ATOM 155 HD2 PHE A 10 3.294 -7.460 2.227 1.00 0.00 H ATOM 156 HE1 PHE A 10 0.513 -7.260 -1.874 1.00 0.00 H ATOM 157 HE2 PHE A 10 3.345 -9.334 0.601 1.00 0.00 H ATOM 158 HZ PHE A 10 1.952 -9.232 -1.449 1.00 0.00 H ATOM 159 N LEU A 11 0.770 -3.935 4.973 1.00 0.00 N ATOM 160 CA LEU A 11 1.071 -3.743 6.423 1.00 0.00 C ATOM 161 C LEU A 11 -0.162 -3.195 7.150 1.00 0.00 C ATOM 162 O LEU A 11 -0.078 -2.226 7.878 1.00 0.00 O ATOM 163 CB LEU A 11 2.208 -2.719 6.457 1.00 0.00 C ATOM 164 CG LEU A 11 3.142 -3.021 7.632 1.00 0.00 C ATOM 165 CD1 LEU A 11 3.988 -4.253 7.311 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.064 -1.823 7.874 1.00 0.00 C ATOM 167 H LEU A 11 0.463 -3.172 4.433 1.00 0.00 H ATOM 168 HA LEU A 11 1.395 -4.669 6.871 1.00 0.00 H ATOM 169 HB2 LEU A 11 2.765 -2.769 5.532 1.00 0.00 H ATOM 170 HB3 LEU A 11 1.796 -1.728 6.574 1.00 0.00 H ATOM 171 HG LEU A 11 2.553 -3.210 8.518 1.00 0.00 H ATOM 172 HD11 LEU A 11 3.874 -4.505 6.266 1.00 0.00 H ATOM 173 HD12 LEU A 11 3.663 -5.085 7.919 1.00 0.00 H ATOM 174 HD13 LEU A 11 5.026 -4.039 7.517 1.00 0.00 H ATOM 175 HD21 LEU A 11 3.477 -0.916 7.908 1.00 0.00 H ATOM 176 HD22 LEU A 11 4.784 -1.754 7.072 1.00 0.00 H ATOM 177 HD23 LEU A 11 4.582 -1.951 8.812 1.00 0.00 H HETATM 178 N NH2 A 12 -1.318 -3.778 6.976 1.00 0.00 N HETATM 179 HN1 NH2 A 12 -1.391 -4.561 6.390 1.00 0.00 H HETATM 180 HN2 NH2 A 12 -2.115 -3.432 7.432 1.00 0.00 H TER 181 NH2 A 12 ENDMDL CONECT 1 2 3 CONECT 2 1 CONECT 3 1 4 5 6 CONECT 4 3 CONECT 5 3 CONECT 6 3 CONECT 178 179 180 CONECT 179 178 CONECT 180 178 MASTER 137 0 2 1 0 0 0 6 88 1 9 1 END