HEADER IMMUNE SYSTEM 01-DEC-08 SMS20062 TITLE 3D NMR MODELS OF MBP83-99 PEPTIDE IN DMSO COMPND MOL_ID: 1; COMPND 2 MOLECULE: 17-MERIC PEPTIDE FROM MYELIN BASIC PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 217-233; COMPND 5 SYNONYM: MBP, MYELIN A1 PROTEIN, MYELIN MEMBRANE ENCEPHALITOGENIC COMPND 6 PROTEIN; COMPND 7 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: SYNTHESIZED USING FMOC/TBU METHODOLOGY KEYWDS MBP ANALOGUE, NMR CONFORMATIONAL ANALYSIS, IMMUNE SYSTEM EXPDTA SOLUTION NMR NUMMDL 21 MDLTYP MINIMIZED AVERAGE AUTHOR G.A.SPYROULIAS JRNL AUTH Z.SPYRANTI,T.TSELIOS,G.DERAOS,J.MATSOUKAS,G.A.SPYROULIAS JRNL TITL NMR STRUCTURAL ELUCIDATION OF MYELIN BASIC PROTEIN EPITOPE JRNL TITL 2 83-99 IMPLICATED IN MULTIPLE SCLEROSIS JRNL REF AMINO ACIDS V. 38 929 2010 JRNL REFN ISSN 0939-4451 JRNL PMID 19468823 JRNL DOI 10.1007/S00726-009-0301-4 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 5.0 REMARK 3 AUTHORS : CASE, DARDEN, CHEATHAM, III, SIMMERLING, WANG, REMARK 3 DUKE, LUO, AND KOLLMAN 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 05-OCT-10. REMARK 100 THE BMRB ID CODE IS SMS20062. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 2.0-3.0MM MYELIN BASIC PROTEIN; REMARK 210 DMSO REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-13C HSQC; 2D 1H-1H TOCSY; REMARK 210 2D 1H-1H NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : DPX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 2.6 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 400 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 21 REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION 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: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 1 VAL A 5 9.49 54.63 REMARK 500 1 PHE A 7 4.68 54.31 REMARK 500 1 ASN A 10 55.15 37.09 REMARK 500 1 ILE A 11 42.75 -85.82 REMARK 500 1 VAL A 12 -66.20 -146.19 REMARK 500 1 THR A 13 86.55 34.95 REMARK 500 2 ASN A 2 86.05 20.09 REMARK 500 2 VAL A 5 9.69 53.64 REMARK 500 2 PHE A 7 6.30 53.22 REMARK 500 2 PHE A 8 70.03 41.44 REMARK 500 2 ASN A 10 55.38 34.62 REMARK 500 2 ILE A 11 37.02 -85.07 REMARK 500 2 VAL A 12 -79.31 -141.58 REMARK 500 2 THR A 13 77.05 33.40 REMARK 500 3 ASN A 2 85.37 18.10 REMARK 500 3 VAL A 5 11.19 53.97 REMARK 500 3 PHE A 7 9.31 53.20 REMARK 500 3 PHE A 8 73.82 39.90 REMARK 500 3 LYS A 9 46.78 -82.01 REMARK 500 3 ASN A 10 57.69 36.86 REMARK 500 3 ILE A 11 41.56 -88.28 REMARK 500 3 VAL A 12 -53.39 -137.88 REMARK 500 3 THR A 13 78.84 30.56 REMARK 500 4 VAL A 4 -39.82 -146.37 REMARK 500 4 VAL A 5 11.78 58.63 REMARK 500 4 PHE A 7 7.73 53.97 REMARK 500 4 PHE A 8 70.12 38.94 REMARK 500 4 LYS A 9 48.92 -80.10 REMARK 500 4 ASN A 10 53.49 38.75 REMARK 500 4 ILE A 11 42.44 -86.33 REMARK 500 4 VAL A 12 -58.69 -135.86 REMARK 500 4 THR A 13 78.39 35.76 REMARK 500 5 VAL A 5 9.73 54.91 REMARK 500 5 PHE A 7 8.15 54.96 REMARK 500 5 PHE A 8 74.74 41.43 REMARK 500 5 LYS A 9 48.56 -83.60 REMARK 500 5 ASN A 10 55.45 35.34 REMARK 500 5 ILE A 11 35.88 -85.15 REMARK 500 5 VAL A 12 -80.05 -140.44 REMARK 500 5 THR A 13 75.30 33.73 REMARK 500 6 VAL A 5 9.65 56.57 REMARK 500 6 PHE A 7 6.90 52.19 REMARK 500 6 ASN A 10 55.56 34.82 REMARK 500 6 ILE A 11 38.09 -86.54 REMARK 500 6 VAL A 12 -75.35 -141.32 REMARK 500 6 THR A 13 77.06 32.43 REMARK 500 6 THR A 16 164.45 59.79 REMARK 500 7 ASN A 2 99.40 -49.73 REMARK 500 7 VAL A 5 8.08 56.88 REMARK 500 7 PHE A 7 4.82 53.64 REMARK 500 REMARK 500 THIS ENTRY HAS 177 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 20062 RELATED DB: BMRB DBREF A 1 17 UNP P02686 MBP_HUMAN 217 233 SEQRES 1 A 17 GLU ASN PRO VAL VAL HIS PHE PHE LYS ASN ILE VAL THR SEQRES 2 A 17 PRO ARG THR PRO HELIX 1 1 VAL A 4 LYS A 9 5 6 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 ATOM 1 N GLU A 1 -10.716 6.928 8.513 1.00 1.80 N ATOM 2 CA GLU A 1 -9.801 6.857 7.362 1.00 1.59 C ATOM 3 C GLU A 1 -8.505 6.263 7.873 1.00 1.64 C ATOM 4 O GLU A 1 -8.408 6.027 9.076 1.00 2.67 O ATOM 5 CB GLU A 1 -9.571 8.241 6.753 1.00 1.71 C ATOM 6 CG GLU A 1 -10.855 8.728 6.074 1.00 1.99 C ATOM 7 CD GLU A 1 -10.690 10.108 5.439 1.00 2.68 C ATOM 8 OE1 GLU A 1 -9.616 10.712 5.652 1.00 3.48 O ATOM 9 OE2 GLU A 1 -11.651 10.531 4.764 1.00 3.57 O ATOM 10 H1 GLU A 1 -10.197 7.353 9.272 1.00 1.92 H ATOM 11 H2 GLU A 1 -11.544 7.460 8.291 1.00 1.86 H ATOM 12 H3 GLU A 1 -10.950 5.990 8.804 1.00 1.85 H ATOM 13 HA GLU A 1 -10.212 6.194 6.600 1.00 1.51 H ATOM 14 HB2 GLU A 1 -9.274 8.933 7.543 1.00 2.02 H ATOM 15 HB3 GLU A 1 -8.778 8.180 6.006 1.00 1.85 H ATOM 16 HG2 GLU A 1 -11.134 8.008 5.302 1.00 2.42 H ATOM 17 HG3 GLU A 1 -11.660 8.775 6.808 1.00 2.41 H ATOM 18 N ASN A 2 -7.521 6.035 7.003 1.00 0.89 N ATOM 19 CA ASN A 2 -6.292 5.384 7.417 1.00 0.75 C ATOM 20 C ASN A 2 -5.175 6.422 7.363 1.00 0.48 C ATOM 21 O ASN A 2 -4.541 6.550 6.317 1.00 0.45 O ATOM 22 CB ASN A 2 -5.968 4.196 6.492 1.00 0.92 C ATOM 23 CG ASN A 2 -7.089 3.169 6.393 1.00 1.74 C ATOM 24 OD1 ASN A 2 -7.965 3.095 7.245 1.00 2.53 O ATOM 25 ND2 ASN A 2 -7.093 2.373 5.331 1.00 2.01 N ATOM 26 H ASN A 2 -7.612 6.297 6.031 1.00 1.26 H ATOM 27 HA ASN A 2 -6.407 5.001 8.432 1.00 0.84 H ATOM 28 HB2 ASN A 2 -5.752 4.567 5.489 1.00 1.31 H ATOM 29 HB3 ASN A 2 -5.079 3.694 6.873 1.00 1.06 H ATOM 30 HD21 ASN A 2 -6.382 2.432 4.621 1.00 1.88 H ATOM 31 HD22 ASN A 2 -7.844 1.704 5.262 1.00 2.64 H ATOM 32 N PRO A 3 -4.865 7.137 8.457 1.00 0.42 N ATOM 33 CA PRO A 3 -3.915 8.252 8.447 1.00 0.34 C ATOM 34 C PRO A 3 -2.448 7.826 8.297 1.00 0.37 C ATOM 35 O PRO A 3 -1.540 8.609 8.555 1.00 0.83 O ATOM 36 CB PRO A 3 -4.169 8.996 9.764 1.00 0.52 C ATOM 37 CG PRO A 3 -4.650 7.885 10.695 1.00 0.67 C ATOM 38 CD PRO A 3 -5.504 7.033 9.759 1.00 0.64 C ATOM 39 HA PRO A 3 -4.143 8.906 7.610 1.00 0.34 H ATOM 40 HB2 PRO A 3 -3.282 9.496 10.152 1.00 0.61 H ATOM 41 HB3 PRO A 3 -4.975 9.717 9.620 1.00 0.57 H ATOM 42 HG2 PRO A 3 -3.796 7.305 11.048 1.00 0.70 H ATOM 43 HG3 PRO A 3 -5.229 8.276 11.532 1.00 0.84 H ATOM 44 HD2 PRO A 3 -5.547 6.004 10.115 1.00 0.78 H ATOM 45 HD3 PRO A 3 -6.505 7.460 9.703 1.00 0.75 H ATOM 46 N VAL A 4 -2.210 6.594 7.856 1.00 0.23 N ATOM 47 CA VAL A 4 -0.903 6.000 7.662 1.00 0.20 C ATOM 48 C VAL A 4 -0.739 5.410 6.258 1.00 0.22 C ATOM 49 O VAL A 4 0.384 5.133 5.838 1.00 0.28 O ATOM 50 CB VAL A 4 -0.706 4.921 8.733 1.00 0.27 C ATOM 51 CG1 VAL A 4 -0.586 5.569 10.116 1.00 1.03 C ATOM 52 CG2 VAL A 4 -1.861 3.906 8.779 1.00 0.95 C ATOM 53 H VAL A 4 -3.005 5.996 7.749 1.00 0.61 H ATOM 54 HA VAL A 4 -0.133 6.763 7.787 1.00 0.27 H ATOM 55 HB VAL A 4 0.212 4.387 8.501 1.00 0.83 H ATOM 56 HG11 VAL A 4 0.192 6.332 10.101 1.00 2.11 H ATOM 57 HG12 VAL A 4 -1.530 6.037 10.398 1.00 1.94 H ATOM 58 HG13 VAL A 4 -0.329 4.812 10.857 1.00 1.87 H ATOM 59 HG21 VAL A 4 -2.776 4.378 9.136 1.00 2.05 H ATOM 60 HG22 VAL A 4 -2.043 3.474 7.798 1.00 1.76 H ATOM 61 HG23 VAL A 4 -1.603 3.100 9.468 1.00 1.78 H ATOM 62 N VAL A 5 -1.842 5.128 5.550 1.00 0.21 N ATOM 63 CA VAL A 5 -1.854 4.495 4.227 1.00 0.24 C ATOM 64 C VAL A 5 -1.107 3.167 4.166 1.00 0.21 C ATOM 65 O VAL A 5 -0.946 2.571 3.103 1.00 0.22 O ATOM 66 CB VAL A 5 -1.453 5.564 3.186 1.00 0.31 C ATOM 67 CG1 VAL A 5 -0.990 5.032 1.828 1.00 0.31 C ATOM 68 CG2 VAL A 5 -2.662 6.479 2.963 1.00 0.49 C ATOM 69 H VAL A 5 -2.734 5.438 5.899 1.00 0.26 H ATOM 70 HA VAL A 5 -2.863 4.172 4.022 1.00 0.28 H ATOM 71 HB VAL A 5 -0.638 6.165 3.588 1.00 0.34 H ATOM 72 HG11 VAL A 5 -1.727 4.339 1.424 1.00 1.63 H ATOM 73 HG12 VAL A 5 -0.848 5.859 1.133 1.00 1.47 H ATOM 74 HG13 VAL A 5 -0.033 4.524 1.954 1.00 1.55 H ATOM 75 HG21 VAL A 5 -2.386 7.303 2.305 1.00 1.49 H ATOM 76 HG22 VAL A 5 -3.475 5.914 2.505 1.00 1.75 H ATOM 77 HG23 VAL A 5 -3.003 6.890 3.913 1.00 1.29 H ATOM 78 N HIS A 6 -0.704 2.634 5.317 1.00 0.21 N ATOM 79 CA HIS A 6 0.199 1.520 5.397 1.00 0.22 C ATOM 80 C HIS A 6 1.350 1.679 4.409 1.00 0.23 C ATOM 81 O HIS A 6 1.793 0.688 3.831 1.00 0.26 O ATOM 82 CB HIS A 6 -0.599 0.233 5.178 1.00 0.23 C ATOM 83 CG HIS A 6 -1.665 -0.035 6.207 1.00 0.34 C ATOM 84 ND1 HIS A 6 -2.810 -0.776 6.018 1.00 0.51 N ATOM 85 CD2 HIS A 6 -1.646 0.375 7.509 1.00 0.40 C ATOM 86 CE1 HIS A 6 -3.467 -0.802 7.192 1.00 0.61 C ATOM 87 NE2 HIS A 6 -2.799 -0.108 8.127 1.00 0.53 N ATOM 88 H HIS A 6 -0.898 3.109 6.177 1.00 0.22 H ATOM 89 HA HIS A 6 0.635 1.525 6.388 1.00 0.25 H ATOM 90 HB2 HIS A 6 -1.056 0.253 4.192 1.00 0.24 H ATOM 91 HB3 HIS A 6 0.095 -0.587 5.195 1.00 0.24 H ATOM 92 HD1 HIS A 6 -3.102 -1.232 5.165 1.00 0.59 H ATOM 93 HD2 HIS A 6 -0.866 0.959 7.969 1.00 0.43 H ATOM 94 HE1 HIS A 6 -4.403 -1.316 7.368 1.00 0.77 H ATOM 95 N PHE A 7 1.828 2.914 4.211 1.00 0.24 N ATOM 96 CA PHE A 7 2.887 3.284 3.285 1.00 0.28 C ATOM 97 C PHE A 7 2.692 2.855 1.827 1.00 0.30 C ATOM 98 O PHE A 7 3.586 3.065 1.015 1.00 0.39 O ATOM 99 CB PHE A 7 4.204 2.761 3.843 1.00 0.34 C ATOM 100 CG PHE A 7 5.025 3.851 4.476 1.00 0.38 C ATOM 101 CD1 PHE A 7 5.773 4.711 3.656 1.00 1.77 C ATOM 102 CD2 PHE A 7 4.990 4.045 5.866 1.00 1.81 C ATOM 103 CE1 PHE A 7 6.520 5.753 4.232 1.00 1.71 C ATOM 104 CE2 PHE A 7 5.754 5.073 6.446 1.00 1.93 C ATOM 105 CZ PHE A 7 6.520 5.925 5.629 1.00 0.61 C ATOM 106 H PHE A 7 1.449 3.681 4.750 1.00 0.24 H ATOM 107 HA PHE A 7 2.937 4.373 3.268 1.00 0.30 H ATOM 108 HB2 PHE A 7 4.025 1.969 4.569 1.00 0.44 H ATOM 109 HB3 PHE A 7 4.762 2.314 3.031 1.00 0.40 H ATOM 110 HD1 PHE A 7 5.749 4.567 2.583 1.00 3.10 H ATOM 111 HD2 PHE A 7 4.360 3.410 6.474 1.00 3.07 H ATOM 112 HE1 PHE A 7 7.090 6.421 3.603 1.00 2.98 H ATOM 113 HE2 PHE A 7 5.745 5.217 7.516 1.00 3.27 H ATOM 114 HZ PHE A 7 7.100 6.721 6.073 1.00 0.73 H ATOM 115 N PHE A 8 1.545 2.269 1.493 1.00 0.27 N ATOM 116 CA PHE A 8 1.256 1.626 0.224 1.00 0.28 C ATOM 117 C PHE A 8 2.443 0.782 -0.246 1.00 0.22 C ATOM 118 O PHE A 8 3.062 1.068 -1.267 1.00 0.29 O ATOM 119 CB PHE A 8 0.804 2.665 -0.807 1.00 0.36 C ATOM 120 CG PHE A 8 0.178 2.043 -2.039 1.00 0.47 C ATOM 121 CD1 PHE A 8 -1.132 1.532 -1.973 1.00 1.77 C ATOM 122 CD2 PHE A 8 0.902 1.954 -3.241 1.00 2.00 C ATOM 123 CE1 PHE A 8 -1.720 0.948 -3.108 1.00 1.80 C ATOM 124 CE2 PHE A 8 0.313 1.373 -4.377 1.00 2.08 C ATOM 125 CZ PHE A 8 -0.999 0.876 -4.313 1.00 0.81 C ATOM 126 H PHE A 8 0.871 2.155 2.230 1.00 0.27 H ATOM 127 HA PHE A 8 0.416 0.954 0.391 1.00 0.30 H ATOM 128 HB2 PHE A 8 0.063 3.319 -0.347 1.00 0.40 H ATOM 129 HB3 PHE A 8 1.654 3.286 -1.096 1.00 0.38 H ATOM 130 HD1 PHE A 8 -1.691 1.595 -1.051 1.00 3.13 H ATOM 131 HD2 PHE A 8 1.917 2.323 -3.297 1.00 3.34 H ATOM 132 HE1 PHE A 8 -2.728 0.564 -3.057 1.00 3.13 H ATOM 133 HE2 PHE A 8 0.878 1.308 -5.296 1.00 3.44 H ATOM 134 HZ PHE A 8 -1.451 0.444 -5.193 1.00 0.96 H ATOM 135 N LYS A 9 2.752 -0.303 0.473 1.00 0.15 N ATOM 136 CA LYS A 9 3.812 -1.214 0.034 1.00 0.16 C ATOM 137 C LYS A 9 3.315 -2.144 -1.083 1.00 0.18 C ATOM 138 O LYS A 9 3.434 -3.357 -0.947 1.00 0.25 O ATOM 139 CB LYS A 9 4.355 -2.048 1.209 1.00 0.22 C ATOM 140 CG LYS A 9 5.364 -1.310 2.101 1.00 0.28 C ATOM 141 CD LYS A 9 4.688 -0.699 3.319 1.00 0.29 C ATOM 142 CE LYS A 9 4.223 -1.813 4.266 1.00 0.43 C ATOM 143 NZ LYS A 9 3.045 -1.397 5.047 1.00 1.19 N ATOM 144 H LYS A 9 2.209 -0.514 1.301 1.00 0.15 H ATOM 145 HA LYS A 9 4.633 -0.624 -0.371 1.00 0.17 H ATOM 146 HB2 LYS A 9 3.524 -2.452 1.785 1.00 0.28 H ATOM 147 HB3 LYS A 9 4.898 -2.894 0.804 1.00 0.25 H ATOM 148 HG2 LYS A 9 6.120 -2.016 2.448 1.00 0.38 H ATOM 149 HG3 LYS A 9 5.864 -0.529 1.526 1.00 0.35 H ATOM 150 HD2 LYS A 9 5.391 -0.051 3.843 1.00 0.38 H ATOM 151 HD3 LYS A 9 3.852 -0.103 2.965 1.00 0.28 H ATOM 152 HE2 LYS A 9 3.963 -2.701 3.688 1.00 0.73 H ATOM 153 HE3 LYS A 9 5.044 -2.078 4.935 1.00 1.06 H ATOM 154 HZ1 LYS A 9 2.738 -2.140 5.659 1.00 1.84 H ATOM 155 HZ2 LYS A 9 3.262 -0.570 5.582 1.00 2.34 H ATOM 156 HZ3 LYS A 9 2.300 -1.150 4.406 1.00 1.65 H ATOM 157 N ASN A 10 2.754 -1.609 -2.175 1.00 0.22 N ATOM 158 CA ASN A 10 2.277 -2.333 -3.338 1.00 0.30 C ATOM 159 C ASN A 10 1.640 -3.652 -2.947 1.00 0.30 C ATOM 160 O ASN A 10 1.958 -4.708 -3.478 1.00 0.42 O ATOM 161 CB ASN A 10 3.391 -2.478 -4.356 1.00 0.43 C ATOM 162 CG ASN A 10 3.673 -1.153 -5.013 1.00 0.62 C ATOM 163 OD1 ASN A 10 3.041 -0.139 -4.751 1.00 1.15 O ATOM 164 ND2 ASN A 10 4.627 -1.162 -5.909 1.00 0.74 N ATOM 165 H ASN A 10 2.667 -0.615 -2.291 1.00 0.24 H ATOM 166 HA ASN A 10 1.525 -1.725 -3.839 1.00 0.34 H ATOM 167 HB2 ASN A 10 4.297 -2.849 -3.887 1.00 0.53 H ATOM 168 HB3 ASN A 10 3.070 -3.157 -5.137 1.00 0.52 H ATOM 169 HD21 ASN A 10 5.133 -2.003 -6.120 1.00 1.08 H ATOM 170 HD22 ASN A 10 4.803 -0.281 -6.334 1.00 0.81 H ATOM 171 N ILE A 11 0.657 -3.565 -2.060 1.00 0.23 N ATOM 172 CA ILE A 11 -0.145 -4.698 -1.632 1.00 0.27 C ATOM 173 C ILE A 11 -1.298 -4.875 -2.624 1.00 0.30 C ATOM 174 O ILE A 11 -2.443 -5.100 -2.243 1.00 0.51 O ATOM 175 CB ILE A 11 -0.588 -4.553 -0.165 1.00 0.32 C ATOM 176 CG1 ILE A 11 -1.089 -3.136 0.144 1.00 0.31 C ATOM 177 CG2 ILE A 11 0.556 -4.972 0.770 1.00 0.34 C ATOM 178 CD1 ILE A 11 0.000 -2.180 0.657 1.00 0.25 C ATOM 179 H ILE A 11 0.424 -2.640 -1.745 1.00 0.18 H ATOM 180 HA ILE A 11 0.470 -5.586 -1.675 1.00 0.34 H ATOM 181 HB ILE A 11 -1.409 -5.249 0.013 1.00 0.41 H ATOM 182 HG12 ILE A 11 -1.542 -2.729 -0.759 1.00 0.31 H ATOM 183 HG13 ILE A 11 -1.865 -3.208 0.903 1.00 0.41 H ATOM 184 HG21 ILE A 11 0.785 -6.026 0.614 1.00 1.46 H ATOM 185 HG22 ILE A 11 1.456 -4.391 0.566 1.00 1.49 H ATOM 186 HG23 ILE A 11 0.254 -4.834 1.808 1.00 1.77 H ATOM 187 HD11 ILE A 11 0.901 -2.238 0.050 1.00 1.67 H ATOM 188 HD12 ILE A 11 -0.382 -1.161 0.634 1.00 1.66 H ATOM 189 HD13 ILE A 11 0.266 -2.435 1.682 1.00 1.63 H ATOM 190 N VAL A 12 -0.985 -4.750 -3.915 1.00 0.29 N ATOM 191 CA VAL A 12 -1.925 -4.977 -4.996 1.00 0.29 C ATOM 192 C VAL A 12 -1.188 -5.570 -6.197 1.00 0.33 C ATOM 193 O VAL A 12 -1.445 -6.722 -6.519 1.00 0.35 O ATOM 194 CB VAL A 12 -2.756 -3.708 -5.275 1.00 0.32 C ATOM 195 CG1 VAL A 12 -1.968 -2.390 -5.233 1.00 0.38 C ATOM 196 CG2 VAL A 12 -3.522 -3.801 -6.598 1.00 0.38 C ATOM 197 H VAL A 12 -0.022 -4.558 -4.148 1.00 0.44 H ATOM 198 HA VAL A 12 -2.627 -5.744 -4.667 1.00 0.31 H ATOM 199 HB VAL A 12 -3.496 -3.646 -4.479 1.00 0.39 H ATOM 200 HG11 VAL A 12 -2.661 -1.567 -5.404 1.00 1.37 H ATOM 201 HG12 VAL A 12 -1.518 -2.249 -4.250 1.00 1.37 H ATOM 202 HG13 VAL A 12 -1.201 -2.357 -6.001 1.00 1.54 H ATOM 203 HG21 VAL A 12 -4.261 -3.001 -6.650 1.00 1.52 H ATOM 204 HG22 VAL A 12 -2.839 -3.701 -7.438 1.00 1.63 H ATOM 205 HG23 VAL A 12 -4.035 -4.761 -6.663 1.00 1.80 H ATOM 206 N THR A 13 -0.280 -4.812 -6.832 1.00 0.53 N ATOM 207 CA THR A 13 0.428 -5.159 -8.075 1.00 0.50 C ATOM 208 C THR A 13 -0.468 -5.967 -9.029 1.00 0.37 C ATOM 209 O THR A 13 -0.444 -7.199 -9.029 1.00 1.11 O ATOM 210 CB THR A 13 1.828 -5.775 -7.812 1.00 0.76 C ATOM 211 OG1 THR A 13 2.184 -6.803 -8.710 1.00 1.67 O ATOM 212 CG2 THR A 13 2.042 -6.300 -6.396 1.00 0.78 C ATOM 213 H THR A 13 -0.114 -3.894 -6.458 1.00 0.71 H ATOM 214 HA THR A 13 0.639 -4.218 -8.577 1.00 0.61 H ATOM 215 HB THR A 13 2.556 -4.975 -7.956 1.00 1.30 H ATOM 216 HG1 THR A 13 1.509 -7.492 -8.645 1.00 1.76 H ATOM 217 HG21 THR A 13 2.010 -5.462 -5.709 1.00 1.53 H ATOM 218 HG22 THR A 13 1.278 -7.032 -6.133 1.00 2.05 H ATOM 219 HG23 THR A 13 3.027 -6.762 -6.321 1.00 1.82 H ATOM 220 N PRO A 14 -1.267 -5.293 -9.869 1.00 0.76 N ATOM 221 CA PRO A 14 -2.222 -5.970 -10.720 1.00 0.96 C ATOM 222 C PRO A 14 -1.472 -6.666 -11.851 1.00 1.01 C ATOM 223 O PRO A 14 -1.260 -6.097 -12.919 1.00 1.82 O ATOM 224 CB PRO A 14 -3.164 -4.873 -11.218 1.00 1.95 C ATOM 225 CG PRO A 14 -2.267 -3.636 -11.260 1.00 2.33 C ATOM 226 CD PRO A 14 -1.293 -3.857 -10.100 1.00 1.65 C ATOM 227 HA PRO A 14 -2.788 -6.707 -10.150 1.00 1.09 H ATOM 228 HB2 PRO A 14 -3.593 -5.103 -12.194 1.00 2.19 H ATOM 229 HB3 PRO A 14 -3.956 -4.721 -10.483 1.00 2.34 H ATOM 230 HG2 PRO A 14 -1.715 -3.612 -12.200 1.00 2.55 H ATOM 231 HG3 PRO A 14 -2.842 -2.718 -11.134 1.00 3.01 H ATOM 232 HD2 PRO A 14 -0.305 -3.488 -10.378 1.00 1.83 H ATOM 233 HD3 PRO A 14 -1.651 -3.342 -9.211 1.00 1.94 H ATOM 234 N ARG A 15 -1.073 -7.916 -11.622 1.00 1.27 N ATOM 235 CA ARG A 15 -0.447 -8.739 -12.625 1.00 2.05 C ATOM 236 C ARG A 15 -1.110 -10.098 -12.572 1.00 2.94 C ATOM 237 O ARG A 15 -0.561 -11.070 -12.059 1.00 3.80 O ATOM 238 CB ARG A 15 1.076 -8.772 -12.432 1.00 2.86 C ATOM 239 CG ARG A 15 1.684 -8.668 -13.828 1.00 3.75 C ATOM 240 CD ARG A 15 3.215 -8.640 -13.842 1.00 5.06 C ATOM 241 NE ARG A 15 3.804 -9.814 -13.180 1.00 5.53 N ATOM 242 CZ ARG A 15 5.102 -10.138 -13.207 1.00 6.88 C ATOM 243 NH1 ARG A 15 5.952 -9.440 -13.961 1.00 7.84 N ATOM 244 NH2 ARG A 15 5.549 -11.159 -12.475 1.00 7.61 N ATOM 245 H ARG A 15 -1.190 -8.323 -10.707 1.00 1.59 H ATOM 246 HA ARG A 15 -0.671 -8.305 -13.601 1.00 2.31 H ATOM 247 HB2 ARG A 15 1.403 -7.921 -11.834 1.00 3.65 H ATOM 248 HB3 ARG A 15 1.390 -9.690 -11.938 1.00 3.11 H ATOM 249 HG2 ARG A 15 1.324 -9.502 -14.428 1.00 3.75 H ATOM 250 HG3 ARG A 15 1.322 -7.738 -14.267 1.00 4.30 H ATOM 251 HD2 ARG A 15 3.539 -8.606 -14.883 1.00 5.82 H ATOM 252 HD3 ARG A 15 3.556 -7.736 -13.336 1.00 5.48 H ATOM 253 HE ARG A 15 3.161 -10.378 -12.642 1.00 5.10 H ATOM 254 HH11 ARG A 15 5.609 -8.674 -14.519 1.00 7.69 H ATOM 255 HH12 ARG A 15 6.936 -9.657 -14.011 1.00 8.91 H ATOM 256 HH21 ARG A 15 4.922 -11.685 -11.884 1.00 7.33 H ATOM 257 HH22 ARG A 15 6.523 -11.421 -12.468 1.00 8.67 H ATOM 258 N THR A 16 -2.313 -10.146 -13.121 1.00 3.43 N ATOM 259 CA THR A 16 -2.929 -11.389 -13.506 1.00 4.71 C ATOM 260 C THR A 16 -2.754 -11.457 -15.017 1.00 5.22 C ATOM 261 O THR A 16 -2.647 -10.411 -15.663 1.00 4.89 O ATOM 262 CB THR A 16 -4.407 -11.386 -13.091 1.00 5.35 C ATOM 263 OG1 THR A 16 -5.136 -10.414 -13.808 1.00 5.58 O ATOM 264 CG2 THR A 16 -4.536 -11.074 -11.594 1.00 5.09 C ATOM 265 H THR A 16 -2.707 -9.332 -13.570 1.00 3.30 H ATOM 266 HA THR A 16 -2.422 -12.226 -13.027 1.00 5.20 H ATOM 267 HB THR A 16 -4.838 -12.367 -13.288 1.00 6.36 H ATOM 268 HG1 THR A 16 -5.284 -10.775 -14.702 1.00 6.20 H ATOM 269 HG21 THR A 16 -4.195 -10.059 -11.381 1.00 4.65 H ATOM 270 HG22 THR A 16 -5.580 -11.164 -11.294 1.00 5.53 H ATOM 271 HG23 THR A 16 -3.936 -11.778 -11.018 1.00 5.61 H ATOM 272 N PRO A 17 -2.725 -12.657 -15.595 1.00 6.33 N ATOM 273 CA PRO A 17 -3.110 -12.831 -16.976 1.00 7.15 C ATOM 274 C PRO A 17 -4.642 -12.734 -17.058 1.00 7.79 C ATOM 275 O PRO A 17 -5.239 -12.115 -16.142 1.00 7.90 O ATOM 276 CB PRO A 17 -2.569 -14.218 -17.324 1.00 8.16 C ATOM 277 CG PRO A 17 -2.783 -14.990 -16.021 1.00 8.43 C ATOM 278 CD PRO A 17 -2.554 -13.936 -14.935 1.00 7.18 C ATOM 279 OXT PRO A 17 -5.194 -13.304 -18.021 1.00 8.54 O ATOM 280 HA PRO A 17 -2.662 -12.068 -17.613 1.00 6.87 H ATOM 281 HB2 PRO A 17 -3.088 -14.675 -18.167 1.00 8.98 H ATOM 282 HB3 PRO A 17 -1.501 -14.142 -17.531 1.00 8.02 H ATOM 283 HG2 PRO A 17 -3.813 -15.345 -15.972 1.00 9.03 H ATOM 284 HG3 PRO A 17 -2.084 -15.821 -15.927 1.00 9.04 H ATOM 285 HD2 PRO A 17 -3.273 -14.064 -14.126 1.00 7.36 H ATOM 286 HD3 PRO A 17 -1.534 -14.008 -14.555 1.00 7.01 H TER 287 PRO A 17 ENDMDL MODEL 2 ATOM 1 N GLU A 1 -9.866 7.686 6.792 1.00 2.37 N ATOM 2 CA GLU A 1 -9.192 7.325 5.534 1.00 2.19 C ATOM 3 C GLU A 1 -7.727 7.098 5.856 1.00 2.18 C ATOM 4 O GLU A 1 -6.923 8.004 5.695 1.00 3.44 O ATOM 5 CB GLU A 1 -9.374 8.433 4.495 1.00 2.57 C ATOM 6 CG GLU A 1 -10.819 8.424 3.988 1.00 2.65 C ATOM 7 CD GLU A 1 -11.232 9.818 3.536 1.00 3.43 C ATOM 8 OE1 GLU A 1 -11.472 10.630 4.457 1.00 3.67 O ATOM 9 OE2 GLU A 1 -11.288 10.039 2.309 1.00 4.50 O ATOM 10 H1 GLU A 1 -9.243 8.291 7.309 1.00 2.61 H ATOM 11 H2 GLU A 1 -10.733 8.167 6.597 1.00 2.50 H ATOM 12 H3 GLU A 1 -10.042 6.855 7.339 1.00 2.24 H ATOM 13 HA GLU A 1 -9.619 6.410 5.125 1.00 1.95 H ATOM 14 HB2 GLU A 1 -9.141 9.391 4.964 1.00 2.84 H ATOM 15 HB3 GLU A 1 -8.702 8.275 3.651 1.00 2.93 H ATOM 16 HG2 GLU A 1 -10.912 7.707 3.171 1.00 3.20 H ATOM 17 HG3 GLU A 1 -11.494 8.111 4.786 1.00 2.38 H ATOM 18 N ASN A 2 -7.424 5.916 6.398 1.00 1.05 N ATOM 19 CA ASN A 2 -6.103 5.413 6.763 1.00 0.90 C ATOM 20 C ASN A 2 -5.035 6.500 6.941 1.00 0.60 C ATOM 21 O ASN A 2 -4.251 6.718 6.022 1.00 0.55 O ATOM 22 CB ASN A 2 -5.647 4.394 5.700 1.00 1.07 C ATOM 23 CG ASN A 2 -6.700 3.327 5.436 1.00 1.56 C ATOM 24 OD1 ASN A 2 -7.528 3.046 6.293 1.00 2.24 O ATOM 25 ND2 ASN A 2 -6.728 2.763 4.235 1.00 1.87 N ATOM 26 H ASN A 2 -8.147 5.216 6.512 1.00 1.21 H ATOM 27 HA ASN A 2 -6.226 4.886 7.706 1.00 0.97 H ATOM 28 HB2 ASN A 2 -5.442 4.924 4.767 1.00 1.58 H ATOM 29 HB3 ASN A 2 -4.730 3.910 6.035 1.00 1.28 H ATOM 30 HD21 ASN A 2 -6.076 3.020 3.512 1.00 1.98 H ATOM 31 HD22 ASN A 2 -7.450 2.079 4.065 1.00 2.37 H ATOM 32 N PRO A 3 -4.898 7.121 8.125 1.00 0.53 N ATOM 33 CA PRO A 3 -3.976 8.239 8.337 1.00 0.38 C ATOM 34 C PRO A 3 -2.492 7.849 8.354 1.00 0.35 C ATOM 35 O PRO A 3 -1.631 8.657 8.689 1.00 0.79 O ATOM 36 CB PRO A 3 -4.426 8.877 9.655 1.00 0.55 C ATOM 37 CG PRO A 3 -5.029 7.700 10.421 1.00 0.78 C ATOM 38 CD PRO A 3 -5.689 6.872 9.317 1.00 0.78 C ATOM 39 HA PRO A 3 -4.097 8.946 7.525 1.00 0.37 H ATOM 40 HB2 PRO A 3 -3.605 9.339 10.205 1.00 0.62 H ATOM 41 HB3 PRO A 3 -5.205 9.612 9.452 1.00 0.59 H ATOM 42 HG2 PRO A 3 -4.231 7.121 10.886 1.00 0.83 H ATOM 43 HG3 PRO A 3 -5.752 8.030 11.168 1.00 0.96 H ATOM 44 HD2 PRO A 3 -5.681 5.817 9.591 1.00 0.91 H ATOM 45 HD3 PRO A 3 -6.710 7.218 9.153 1.00 0.92 H ATOM 46 N VAL A 4 -2.191 6.618 7.957 1.00 0.22 N ATOM 47 CA VAL A 4 -0.870 6.029 7.850 1.00 0.18 C ATOM 48 C VAL A 4 -0.627 5.456 6.449 1.00 0.19 C ATOM 49 O VAL A 4 0.502 5.110 6.108 1.00 0.31 O ATOM 50 CB VAL A 4 -0.765 4.918 8.903 1.00 0.27 C ATOM 51 CG1 VAL A 4 -0.602 5.528 10.298 1.00 1.06 C ATOM 52 CG2 VAL A 4 -2.006 4.008 8.908 1.00 1.02 C ATOM 53 H VAL A 4 -2.972 6.016 7.789 1.00 0.61 H ATOM 54 HA VAL A 4 -0.107 6.784 8.045 1.00 0.28 H ATOM 55 HB VAL A 4 0.106 4.309 8.671 1.00 0.81 H ATOM 56 HG11 VAL A 4 -1.414 6.227 10.501 1.00 1.70 H ATOM 57 HG12 VAL A 4 -0.611 4.739 11.050 1.00 1.89 H ATOM 58 HG13 VAL A 4 0.347 6.061 10.355 1.00 1.89 H ATOM 59 HG21 VAL A 4 -2.240 3.663 7.902 1.00 2.06 H ATOM 60 HG22 VAL A 4 -1.812 3.138 9.535 1.00 1.66 H ATOM 61 HG23 VAL A 4 -2.868 4.538 9.317 1.00 2.28 H ATOM 62 N VAL A 5 -1.692 5.261 5.660 1.00 0.18 N ATOM 63 CA VAL A 5 -1.695 4.648 4.334 1.00 0.20 C ATOM 64 C VAL A 5 -1.040 3.273 4.287 1.00 0.15 C ATOM 65 O VAL A 5 -0.876 2.681 3.223 1.00 0.15 O ATOM 66 CB VAL A 5 -1.183 5.705 3.335 1.00 0.28 C ATOM 67 CG1 VAL A 5 -0.775 5.158 1.968 1.00 0.27 C ATOM 68 CG2 VAL A 5 -2.287 6.750 3.142 1.00 0.43 C ATOM 69 H VAL A 5 -2.570 5.662 5.931 1.00 0.28 H ATOM 70 HA VAL A 5 -2.716 4.400 4.086 1.00 0.25 H ATOM 71 HB VAL A 5 -0.314 6.204 3.764 1.00 0.33 H ATOM 72 HG11 VAL A 5 -1.573 4.538 1.560 1.00 1.45 H ATOM 73 HG12 VAL A 5 -0.561 5.979 1.284 1.00 1.56 H ATOM 74 HG13 VAL A 5 0.133 4.566 2.085 1.00 1.65 H ATOM 75 HG21 VAL A 5 -1.975 7.492 2.409 1.00 1.60 H ATOM 76 HG22 VAL A 5 -3.202 6.267 2.795 1.00 1.42 H ATOM 77 HG23 VAL A 5 -2.488 7.258 4.085 1.00 1.53 H ATOM 78 N HIS A 6 -0.726 2.701 5.447 1.00 0.15 N ATOM 79 CA HIS A 6 0.124 1.547 5.541 1.00 0.18 C ATOM 80 C HIS A 6 1.326 1.674 4.613 1.00 0.16 C ATOM 81 O HIS A 6 1.739 0.678 4.021 1.00 0.19 O ATOM 82 CB HIS A 6 -0.714 0.303 5.247 1.00 0.21 C ATOM 83 CG HIS A 6 -1.821 0.026 6.229 1.00 0.34 C ATOM 84 ND1 HIS A 6 -2.972 -0.686 5.979 1.00 0.51 N ATOM 85 CD2 HIS A 6 -1.829 0.377 7.549 1.00 0.40 C ATOM 86 CE1 HIS A 6 -3.661 -0.753 7.133 1.00 0.62 C ATOM 87 NE2 HIS A 6 -3.005 -0.113 8.115 1.00 0.55 N ATOM 88 H HIS A 6 -0.933 3.167 6.308 1.00 0.18 H ATOM 89 HA HIS A 6 0.511 1.513 6.551 1.00 0.22 H ATOM 90 HB2 HIS A 6 -1.136 0.375 4.248 1.00 0.22 H ATOM 91 HB3 HIS A 6 -0.050 -0.540 5.248 1.00 0.24 H ATOM 92 HD1 HIS A 6 -3.252 -1.097 5.099 1.00 0.58 H ATOM 93 HD2 HIS A 6 -1.048 0.921 8.055 1.00 0.42 H ATOM 94 HE1 HIS A 6 -4.607 -1.259 7.261 1.00 0.78 H ATOM 95 N PHE A 7 1.870 2.890 4.464 1.00 0.19 N ATOM 96 CA PHE A 7 2.976 3.229 3.579 1.00 0.22 C ATOM 97 C PHE A 7 2.814 2.822 2.107 1.00 0.20 C ATOM 98 O PHE A 7 3.751 2.983 1.335 1.00 0.26 O ATOM 99 CB PHE A 7 4.251 2.651 4.181 1.00 0.27 C ATOM 100 CG PHE A 7 5.122 3.710 4.808 1.00 0.40 C ATOM 101 CD1 PHE A 7 5.974 4.471 3.992 1.00 1.56 C ATOM 102 CD2 PHE A 7 5.038 3.971 6.186 1.00 2.00 C ATOM 103 CE1 PHE A 7 6.770 5.480 4.560 1.00 1.51 C ATOM 104 CE2 PHE A 7 5.848 4.968 6.758 1.00 2.11 C ATOM 105 CZ PHE A 7 6.716 5.720 5.945 1.00 0.68 C ATOM 106 H PHE A 7 1.511 3.658 5.012 1.00 0.24 H ATOM 107 HA PHE A 7 3.068 4.316 3.579 1.00 0.28 H ATOM 108 HB2 PHE A 7 4.006 1.890 4.921 1.00 0.32 H ATOM 109 HB3 PHE A 7 4.802 2.149 3.396 1.00 0.23 H ATOM 110 HD1 PHE A 7 5.997 4.278 2.927 1.00 2.89 H ATOM 111 HD2 PHE A 7 4.340 3.411 6.793 1.00 3.27 H ATOM 112 HE1 PHE A 7 7.423 6.072 3.933 1.00 2.78 H ATOM 113 HE2 PHE A 7 5.800 5.163 7.820 1.00 3.46 H ATOM 114 HZ PHE A 7 7.333 6.492 6.382 1.00 0.79 H ATOM 115 N PHE A 8 1.644 2.315 1.723 1.00 0.16 N ATOM 116 CA PHE A 8 1.330 1.738 0.426 1.00 0.20 C ATOM 117 C PHE A 8 2.475 0.860 -0.081 1.00 0.18 C ATOM 118 O PHE A 8 3.143 1.181 -1.058 1.00 0.25 O ATOM 119 CB PHE A 8 0.931 2.839 -0.564 1.00 0.28 C ATOM 120 CG PHE A 8 0.435 2.304 -1.894 1.00 0.49 C ATOM 121 CD1 PHE A 8 -0.811 1.656 -1.971 1.00 1.56 C ATOM 122 CD2 PHE A 8 1.230 2.428 -3.048 1.00 2.05 C ATOM 123 CE1 PHE A 8 -1.261 1.136 -3.198 1.00 1.52 C ATOM 124 CE2 PHE A 8 0.777 1.914 -4.275 1.00 2.27 C ATOM 125 CZ PHE A 8 -0.467 1.267 -4.351 1.00 1.02 C ATOM 126 H PHE A 8 0.950 2.228 2.445 1.00 0.16 H ATOM 127 HA PHE A 8 0.460 1.097 0.561 1.00 0.20 H ATOM 128 HB2 PHE A 8 0.133 3.436 -0.122 1.00 0.28 H ATOM 129 HB3 PHE A 8 1.784 3.499 -0.728 1.00 0.39 H ATOM 130 HD1 PHE A 8 -1.427 1.560 -1.090 1.00 2.88 H ATOM 131 HD2 PHE A 8 2.201 2.899 -2.991 1.00 3.28 H ATOM 132 HE1 PHE A 8 -2.220 0.644 -3.257 1.00 2.71 H ATOM 133 HE2 PHE A 8 1.402 2.006 -5.151 1.00 3.62 H ATOM 134 HZ PHE A 8 -0.812 0.873 -5.297 1.00 1.24 H ATOM 135 N LYS A 9 2.691 -0.295 0.555 1.00 0.13 N ATOM 136 CA LYS A 9 3.729 -1.215 0.085 1.00 0.13 C ATOM 137 C LYS A 9 3.229 -2.076 -1.085 1.00 0.14 C ATOM 138 O LYS A 9 3.350 -3.294 -1.021 1.00 0.20 O ATOM 139 CB LYS A 9 4.234 -2.108 1.235 1.00 0.16 C ATOM 140 CG LYS A 9 5.201 -1.408 2.200 1.00 0.21 C ATOM 141 CD LYS A 9 4.514 -0.861 3.447 1.00 0.31 C ATOM 142 CE LYS A 9 3.943 -2.005 4.299 1.00 0.40 C ATOM 143 NZ LYS A 9 2.470 -1.952 4.408 1.00 1.13 N ATOM 144 H LYS A 9 2.103 -0.536 1.343 1.00 0.11 H ATOM 145 HA LYS A 9 4.572 -0.634 -0.293 1.00 0.15 H ATOM 146 HB2 LYS A 9 3.392 -2.549 1.767 1.00 0.20 H ATOM 147 HB3 LYS A 9 4.797 -2.925 0.800 1.00 0.21 H ATOM 148 HG2 LYS A 9 5.956 -2.127 2.522 1.00 0.25 H ATOM 149 HG3 LYS A 9 5.713 -0.595 1.681 1.00 0.34 H ATOM 150 HD2 LYS A 9 5.252 -0.321 4.041 1.00 0.41 H ATOM 151 HD3 LYS A 9 3.746 -0.161 3.135 1.00 0.36 H ATOM 152 HE2 LYS A 9 4.243 -2.959 3.861 1.00 0.80 H ATOM 153 HE3 LYS A 9 4.376 -1.941 5.299 1.00 0.81 H ATOM 154 HZ1 LYS A 9 2.197 -1.066 4.815 1.00 1.59 H ATOM 155 HZ2 LYS A 9 2.046 -2.004 3.495 1.00 2.00 H ATOM 156 HZ3 LYS A 9 2.126 -2.707 4.984 1.00 1.79 H ATOM 157 N ASN A 10 2.661 -1.473 -2.139 1.00 0.14 N ATOM 158 CA ASN A 10 2.194 -2.098 -3.366 1.00 0.18 C ATOM 159 C ASN A 10 1.625 -3.480 -3.115 1.00 0.18 C ATOM 160 O ASN A 10 1.986 -4.456 -3.764 1.00 0.22 O ATOM 161 CB ASN A 10 3.296 -2.112 -4.416 1.00 0.22 C ATOM 162 CG ASN A 10 3.632 -0.719 -4.878 1.00 0.57 C ATOM 163 OD1 ASN A 10 3.377 0.274 -4.212 1.00 1.36 O ATOM 164 ND2 ASN A 10 4.230 -0.630 -6.041 1.00 0.33 N ATOM 165 H ASN A 10 2.611 -0.469 -2.197 1.00 0.17 H ATOM 166 HA ASN A 10 1.401 -1.475 -3.780 1.00 0.20 H ATOM 167 HB2 ASN A 10 4.206 -2.552 -4.026 1.00 0.32 H ATOM 168 HB3 ASN A 10 2.948 -2.688 -5.271 1.00 0.39 H ATOM 169 HD21 ASN A 10 4.436 -1.439 -6.599 1.00 0.76 H ATOM 170 HD22 ASN A 10 4.538 0.288 -6.264 1.00 0.57 H ATOM 171 N ILE A 11 0.651 -3.536 -2.216 1.00 0.16 N ATOM 172 CA ILE A 11 -0.042 -4.757 -1.840 1.00 0.18 C ATOM 173 C ILE A 11 -1.186 -5.011 -2.832 1.00 0.19 C ATOM 174 O ILE A 11 -2.262 -5.464 -2.454 1.00 0.28 O ATOM 175 CB ILE A 11 -0.493 -4.704 -0.366 1.00 0.21 C ATOM 176 CG1 ILE A 11 -1.107 -3.343 -0.005 1.00 0.20 C ATOM 177 CG2 ILE A 11 0.674 -5.061 0.568 1.00 0.23 C ATOM 178 CD1 ILE A 11 -0.104 -2.317 0.553 1.00 0.16 C ATOM 179 H ILE A 11 0.373 -2.663 -1.808 1.00 0.15 H ATOM 180 HA ILE A 11 0.655 -5.578 -1.914 1.00 0.21 H ATOM 181 HB ILE A 11 -1.255 -5.469 -0.213 1.00 0.26 H ATOM 182 HG12 ILE A 11 -1.590 -2.941 -0.895 1.00 0.20 H ATOM 183 HG13 ILE A 11 -1.878 -3.508 0.745 1.00 0.25 H ATOM 184 HG21 ILE A 11 0.990 -6.087 0.378 1.00 1.54 H ATOM 185 HG22 ILE A 11 1.525 -4.402 0.399 1.00 1.56 H ATOM 186 HG23 ILE A 11 0.351 -4.984 1.606 1.00 1.57 H ATOM 187 HD11 ILE A 11 -0.553 -1.326 0.533 1.00 1.24 H ATOM 188 HD12 ILE A 11 0.150 -2.573 1.581 1.00 1.18 H ATOM 189 HD13 ILE A 11 0.818 -2.300 -0.025 1.00 1.19 H ATOM 190 N VAL A 12 -0.957 -4.700 -4.111 1.00 0.24 N ATOM 191 CA VAL A 12 -1.928 -4.919 -5.172 1.00 0.25 C ATOM 192 C VAL A 12 -1.220 -5.391 -6.449 1.00 0.26 C ATOM 193 O VAL A 12 -1.223 -6.589 -6.700 1.00 0.40 O ATOM 194 CB VAL A 12 -2.870 -3.703 -5.297 1.00 0.30 C ATOM 195 CG1 VAL A 12 -2.184 -2.353 -5.034 1.00 0.38 C ATOM 196 CG2 VAL A 12 -3.607 -3.648 -6.637 1.00 0.33 C ATOM 197 H VAL A 12 -0.057 -4.310 -4.351 1.00 0.32 H ATOM 198 HA VAL A 12 -2.550 -5.760 -4.867 1.00 0.32 H ATOM 199 HB VAL A 12 -3.628 -3.822 -4.522 1.00 0.40 H ATOM 200 HG11 VAL A 12 -1.883 -2.285 -3.989 1.00 1.68 H ATOM 201 HG12 VAL A 12 -1.314 -2.218 -5.671 1.00 1.44 H ATOM 202 HG13 VAL A 12 -2.893 -1.546 -5.230 1.00 1.63 H ATOM 203 HG21 VAL A 12 -2.958 -3.237 -7.407 1.00 1.61 H ATOM 204 HG22 VAL A 12 -3.945 -4.646 -6.921 1.00 1.56 H ATOM 205 HG23 VAL A 12 -4.480 -2.999 -6.545 1.00 1.66 H ATOM 206 N THR A 13 -0.604 -4.491 -7.231 1.00 0.42 N ATOM 207 CA THR A 13 0.161 -4.787 -8.450 1.00 0.49 C ATOM 208 C THR A 13 -0.389 -5.986 -9.246 1.00 0.34 C ATOM 209 O THR A 13 0.202 -7.067 -9.231 1.00 1.25 O ATOM 210 CB THR A 13 1.665 -4.898 -8.119 1.00 0.92 C ATOM 211 OG1 THR A 13 2.396 -5.379 -9.225 1.00 2.05 O ATOM 212 CG2 THR A 13 1.988 -5.775 -6.908 1.00 0.50 C ATOM 213 H THR A 13 -0.646 -3.524 -6.959 1.00 0.63 H ATOM 214 HA THR A 13 0.076 -3.919 -9.102 1.00 0.67 H ATOM 215 HB THR A 13 2.026 -3.894 -7.897 1.00 1.63 H ATOM 216 HG1 THR A 13 2.135 -6.301 -9.352 1.00 2.00 H ATOM 217 HG21 THR A 13 1.554 -5.341 -6.012 1.00 1.56 H ATOM 218 HG22 THR A 13 1.596 -6.783 -7.044 1.00 1.82 H ATOM 219 HG23 THR A 13 3.069 -5.819 -6.770 1.00 1.61 H ATOM 220 N PRO A 14 -1.489 -5.804 -9.995 1.00 0.66 N ATOM 221 CA PRO A 14 -2.157 -6.891 -10.688 1.00 0.77 C ATOM 222 C PRO A 14 -1.320 -7.359 -11.879 1.00 0.79 C ATOM 223 O PRO A 14 -1.479 -6.881 -13.000 1.00 1.67 O ATOM 224 CB PRO A 14 -3.519 -6.326 -11.105 1.00 1.82 C ATOM 225 CG PRO A 14 -3.239 -4.834 -11.279 1.00 2.35 C ATOM 226 CD PRO A 14 -2.191 -4.550 -10.204 1.00 1.74 C ATOM 227 HA PRO A 14 -2.311 -7.730 -10.007 1.00 1.11 H ATOM 228 HB2 PRO A 14 -3.902 -6.782 -12.019 1.00 1.97 H ATOM 229 HB3 PRO A 14 -4.230 -6.464 -10.289 1.00 2.31 H ATOM 230 HG2 PRO A 14 -2.813 -4.651 -12.267 1.00 2.56 H ATOM 231 HG3 PRO A 14 -4.139 -4.234 -11.133 1.00 3.10 H ATOM 232 HD2 PRO A 14 -1.516 -3.765 -10.544 1.00 2.06 H ATOM 233 HD3 PRO A 14 -2.688 -4.260 -9.282 1.00 2.10 H ATOM 234 N ARG A 15 -0.430 -8.321 -11.637 1.00 1.48 N ATOM 235 CA ARG A 15 0.365 -8.984 -12.658 1.00 2.29 C ATOM 236 C ARG A 15 0.387 -10.458 -12.312 1.00 3.43 C ATOM 237 O ARG A 15 1.151 -10.878 -11.448 1.00 4.42 O ATOM 238 CB ARG A 15 1.786 -8.410 -12.696 1.00 3.28 C ATOM 239 CG ARG A 15 1.813 -7.163 -13.577 1.00 4.08 C ATOM 240 CD ARG A 15 3.185 -6.478 -13.542 1.00 5.60 C ATOM 241 NE ARG A 15 4.248 -7.310 -14.131 1.00 6.37 N ATOM 242 CZ ARG A 15 4.572 -7.365 -15.431 1.00 7.73 C ATOM 243 NH1 ARG A 15 3.857 -6.687 -16.331 1.00 8.51 N ATOM 244 NH2 ARG A 15 5.613 -8.096 -15.831 1.00 8.71 N ATOM 245 H ARG A 15 -0.291 -8.613 -10.674 1.00 2.03 H ATOM 246 HA ARG A 15 -0.105 -8.854 -13.634 1.00 2.29 H ATOM 247 HB2 ARG A 15 2.116 -8.167 -11.684 1.00 3.91 H ATOM 248 HB3 ARG A 15 2.466 -9.151 -13.119 1.00 3.62 H ATOM 249 HG2 ARG A 15 1.559 -7.454 -14.597 1.00 4.02 H ATOM 250 HG3 ARG A 15 1.064 -6.460 -13.216 1.00 4.25 H ATOM 251 HD2 ARG A 15 3.126 -5.525 -14.066 1.00 6.39 H ATOM 252 HD3 ARG A 15 3.439 -6.265 -12.503 1.00 5.84 H ATOM 253 HE ARG A 15 4.787 -7.844 -13.463 1.00 6.22 H ATOM 254 HH11 ARG A 15 3.056 -6.153 -16.031 1.00 8.11 H ATOM 255 HH12 ARG A 15 4.074 -6.700 -17.315 1.00 9.72 H ATOM 256 HH21 ARG A 15 6.171 -8.615 -15.168 1.00 8.58 H ATOM 257 HH22 ARG A 15 5.879 -8.151 -16.803 1.00 9.85 H ATOM 258 N THR A 16 -0.452 -11.235 -12.983 1.00 3.95 N ATOM 259 CA THR A 16 -0.544 -12.664 -12.786 1.00 5.48 C ATOM 260 C THR A 16 -0.695 -13.302 -14.164 1.00 6.05 C ATOM 261 O THR A 16 -1.149 -12.625 -15.089 1.00 5.55 O ATOM 262 CB THR A 16 -1.732 -12.968 -11.866 1.00 6.15 C ATOM 263 OG1 THR A 16 -2.910 -12.324 -12.304 1.00 6.01 O ATOM 264 CG2 THR A 16 -1.459 -12.508 -10.432 1.00 6.23 C ATOM 265 H THR A 16 -1.088 -10.870 -13.678 1.00 3.67 H ATOM 266 HA THR A 16 0.372 -13.030 -12.324 1.00 6.09 H ATOM 267 HB THR A 16 -1.897 -14.038 -11.860 1.00 7.21 H ATOM 268 HG1 THR A 16 -3.366 -12.924 -12.905 1.00 6.66 H ATOM 269 HG21 THR A 16 -0.507 -12.913 -10.087 1.00 6.87 H ATOM 270 HG22 THR A 16 -1.429 -11.420 -10.383 1.00 5.93 H ATOM 271 HG23 THR A 16 -2.256 -12.866 -9.780 1.00 6.61 H ATOM 272 N PRO A 17 -0.280 -14.563 -14.324 1.00 7.35 N ATOM 273 CA PRO A 17 -0.511 -15.308 -15.546 1.00 8.20 C ATOM 274 C PRO A 17 -1.985 -15.702 -15.636 1.00 8.87 C ATOM 275 O PRO A 17 -2.666 -15.642 -14.584 1.00 9.20 O ATOM 276 CB PRO A 17 0.402 -16.530 -15.435 1.00 9.42 C ATOM 277 CG PRO A 17 0.418 -16.803 -13.930 1.00 9.81 C ATOM 278 CD PRO A 17 0.322 -15.409 -13.309 1.00 8.38 C ATOM 279 OXT PRO A 17 -2.396 -16.074 -16.755 1.00 9.42 O ATOM 280 HA PRO A 17 -0.245 -14.714 -16.420 1.00 7.74 H ATOM 281 HB2 PRO A 17 0.021 -17.381 -16.002 1.00 10.32 H ATOM 282 HB3 PRO A 17 1.405 -16.264 -15.768 1.00 9.23 H ATOM 283 HG2 PRO A 17 -0.461 -17.388 -13.657 1.00 10.48 H ATOM 284 HG3 PRO A 17 1.330 -17.317 -13.625 1.00 10.52 H ATOM 285 HD2 PRO A 17 -0.294 -15.448 -12.410 1.00 8.58 H ATOM 286 HD3 PRO A 17 1.319 -15.039 -13.072 1.00 8.20 H TER 287 PRO A 17 ENDMDL MODEL 3 ATOM 1 N GLU A 1 -9.763 7.771 7.120 1.00 2.24 N ATOM 2 CA GLU A 1 -9.254 7.364 5.797 1.00 2.02 C ATOM 3 C GLU A 1 -7.778 7.078 6.005 1.00 2.07 C ATOM 4 O GLU A 1 -6.967 7.978 5.843 1.00 3.33 O ATOM 5 CB GLU A 1 -9.442 8.433 4.704 1.00 2.42 C ATOM 6 CG GLU A 1 -10.863 8.483 4.131 1.00 2.56 C ATOM 7 CD GLU A 1 -11.852 9.045 5.143 1.00 2.87 C ATOM 8 OE1 GLU A 1 -12.227 8.252 6.036 1.00 3.75 O ATOM 9 OE2 GLU A 1 -12.117 10.262 5.091 1.00 3.42 O ATOM 10 H1 GLU A 1 -9.077 8.379 7.544 1.00 2.55 H ATOM 11 H2 GLU A 1 -10.649 8.246 7.050 1.00 2.29 H ATOM 12 H3 GLU A 1 -9.885 6.956 7.699 1.00 2.16 H ATOM 13 HA GLU A 1 -9.761 6.455 5.469 1.00 1.74 H ATOM 14 HB2 GLU A 1 -9.164 9.415 5.093 1.00 2.76 H ATOM 15 HB3 GLU A 1 -8.775 8.193 3.874 1.00 2.77 H ATOM 16 HG2 GLU A 1 -10.863 9.109 3.237 1.00 3.18 H ATOM 17 HG3 GLU A 1 -11.167 7.475 3.844 1.00 3.04 H ATOM 18 N ASN A 2 -7.464 5.867 6.476 1.00 1.01 N ATOM 19 CA ASN A 2 -6.135 5.359 6.806 1.00 0.88 C ATOM 20 C ASN A 2 -5.065 6.443 6.997 1.00 0.57 C ATOM 21 O ASN A 2 -4.291 6.680 6.074 1.00 0.51 O ATOM 22 CB ASN A 2 -5.684 4.372 5.710 1.00 1.06 C ATOM 23 CG ASN A 2 -6.732 3.306 5.428 1.00 1.56 C ATOM 24 OD1 ASN A 2 -7.528 2.973 6.296 1.00 2.25 O ATOM 25 ND2 ASN A 2 -6.790 2.800 4.204 1.00 1.88 N ATOM 26 H ASN A 2 -8.190 5.171 6.591 1.00 1.25 H ATOM 27 HA ASN A 2 -6.239 4.807 7.738 1.00 0.96 H ATOM 28 HB2 ASN A 2 -5.492 4.927 4.791 1.00 1.58 H ATOM 29 HB3 ASN A 2 -4.761 3.883 6.024 1.00 1.27 H ATOM 30 HD21 ASN A 2 -6.163 3.100 3.474 1.00 2.00 H ATOM 31 HD22 ASN A 2 -7.509 2.118 4.020 1.00 2.37 H ATOM 32 N PRO A 3 -4.917 7.042 8.190 1.00 0.50 N ATOM 33 CA PRO A 3 -4.000 8.164 8.407 1.00 0.36 C ATOM 34 C PRO A 3 -2.512 7.792 8.379 1.00 0.34 C ATOM 35 O PRO A 3 -1.654 8.606 8.701 1.00 0.78 O ATOM 36 CB PRO A 3 -4.426 8.775 9.745 1.00 0.55 C ATOM 37 CG PRO A 3 -5.011 7.581 10.498 1.00 0.77 C ATOM 38 CD PRO A 3 -5.684 6.768 9.391 1.00 0.76 C ATOM 39 HA PRO A 3 -4.144 8.884 7.611 1.00 0.34 H ATOM 40 HB2 PRO A 3 -3.596 9.229 10.287 1.00 0.64 H ATOM 41 HB3 PRO A 3 -5.212 9.512 9.570 1.00 0.57 H ATOM 42 HG2 PRO A 3 -4.201 6.998 10.940 1.00 0.83 H ATOM 43 HG3 PRO A 3 -5.722 7.893 11.262 1.00 0.95 H ATOM 44 HD2 PRO A 3 -5.665 5.708 9.646 1.00 0.90 H ATOM 45 HD3 PRO A 3 -6.709 7.111 9.252 1.00 0.88 H ATOM 46 N VAL A 4 -2.209 6.570 7.958 1.00 0.24 N ATOM 47 CA VAL A 4 -0.879 6.018 7.794 1.00 0.17 C ATOM 48 C VAL A 4 -0.667 5.450 6.387 1.00 0.17 C ATOM 49 O VAL A 4 0.464 5.152 6.008 1.00 0.25 O ATOM 50 CB VAL A 4 -0.689 4.928 8.853 1.00 0.25 C ATOM 51 CG1 VAL A 4 -0.549 5.564 10.239 1.00 1.06 C ATOM 52 CG2 VAL A 4 -1.865 3.938 8.892 1.00 0.95 C ATOM 53 H VAL A 4 -2.985 5.957 7.812 1.00 0.63 H ATOM 54 HA VAL A 4 -0.134 6.801 7.952 1.00 0.24 H ATOM 55 HB VAL A 4 0.217 4.379 8.609 1.00 0.80 H ATOM 56 HG11 VAL A 4 -0.362 4.789 10.983 1.00 2.09 H ATOM 57 HG12 VAL A 4 0.282 6.268 10.239 1.00 2.20 H ATOM 58 HG13 VAL A 4 -1.463 6.101 10.500 1.00 1.85 H ATOM 59 HG21 VAL A 4 -1.607 3.097 9.537 1.00 1.82 H ATOM 60 HG22 VAL A 4 -2.757 4.417 9.295 1.00 1.91 H ATOM 61 HG23 VAL A 4 -2.086 3.555 7.898 1.00 1.82 H ATOM 62 N VAL A 5 -1.750 5.213 5.633 1.00 0.15 N ATOM 63 CA VAL A 5 -1.767 4.611 4.299 1.00 0.18 C ATOM 64 C VAL A 5 -1.052 3.265 4.235 1.00 0.15 C ATOM 65 O VAL A 5 -0.853 2.692 3.166 1.00 0.16 O ATOM 66 CB VAL A 5 -1.294 5.691 3.302 1.00 0.24 C ATOM 67 CG1 VAL A 5 -0.874 5.168 1.929 1.00 0.25 C ATOM 68 CG2 VAL A 5 -2.427 6.704 3.120 1.00 0.38 C ATOM 69 H VAL A 5 -2.634 5.565 5.948 1.00 0.22 H ATOM 70 HA VAL A 5 -2.791 4.338 4.065 1.00 0.22 H ATOM 71 HB VAL A 5 -0.436 6.214 3.726 1.00 0.28 H ATOM 72 HG11 VAL A 5 -1.649 4.519 1.522 1.00 1.51 H ATOM 73 HG12 VAL A 5 -0.698 6.001 1.248 1.00 1.56 H ATOM 74 HG13 VAL A 5 0.059 4.612 2.035 1.00 1.58 H ATOM 75 HG21 VAL A 5 -2.664 7.174 4.076 1.00 1.49 H ATOM 76 HG22 VAL A 5 -2.121 7.484 2.422 1.00 1.52 H ATOM 77 HG23 VAL A 5 -3.316 6.205 2.735 1.00 1.33 H ATOM 78 N HIS A 6 -0.714 2.699 5.390 1.00 0.15 N ATOM 79 CA HIS A 6 0.166 1.568 5.481 1.00 0.17 C ATOM 80 C HIS A 6 1.374 1.729 4.559 1.00 0.14 C ATOM 81 O HIS A 6 1.825 0.743 3.976 1.00 0.16 O ATOM 82 CB HIS A 6 -0.650 0.306 5.194 1.00 0.21 C ATOM 83 CG HIS A 6 -1.735 0.001 6.193 1.00 0.33 C ATOM 84 ND1 HIS A 6 -2.882 -0.724 5.953 1.00 0.50 N ATOM 85 CD2 HIS A 6 -1.726 0.336 7.518 1.00 0.39 C ATOM 86 CE1 HIS A 6 -3.549 -0.814 7.119 1.00 0.61 C ATOM 87 NE2 HIS A 6 -2.886 -0.178 8.097 1.00 0.54 N ATOM 88 H HIS A 6 -0.950 3.146 6.254 1.00 0.19 H ATOM 89 HA HIS A 6 0.552 1.544 6.491 1.00 0.21 H ATOM 90 HB2 HIS A 6 -1.095 0.376 4.206 1.00 0.21 H ATOM 91 HB3 HIS A 6 0.027 -0.526 5.182 1.00 0.23 H ATOM 92 HD1 HIS A 6 -3.171 -1.127 5.074 1.00 0.57 H ATOM 93 HD2 HIS A 6 -0.946 0.885 8.019 1.00 0.41 H ATOM 94 HE1 HIS A 6 -4.487 -1.335 7.257 1.00 0.77 H ATOM 95 N PHE A 7 1.888 2.959 4.416 1.00 0.16 N ATOM 96 CA PHE A 7 3.018 3.327 3.567 1.00 0.21 C ATOM 97 C PHE A 7 2.902 2.893 2.098 1.00 0.22 C ATOM 98 O PHE A 7 3.865 3.017 1.351 1.00 0.30 O ATOM 99 CB PHE A 7 4.293 2.791 4.219 1.00 0.25 C ATOM 100 CG PHE A 7 5.190 3.857 4.817 1.00 0.38 C ATOM 101 CD1 PHE A 7 4.679 4.754 5.776 1.00 1.88 C ATOM 102 CD2 PHE A 7 6.535 3.958 4.416 1.00 1.67 C ATOM 103 CE1 PHE A 7 5.509 5.746 6.328 1.00 1.95 C ATOM 104 CE2 PHE A 7 7.366 4.946 4.972 1.00 1.67 C ATOM 105 CZ PHE A 7 6.853 5.840 5.927 1.00 0.64 C ATOM 106 H PHE A 7 1.482 3.718 4.945 1.00 0.19 H ATOM 107 HA PHE A 7 3.079 4.417 3.553 1.00 0.26 H ATOM 108 HB2 PHE A 7 4.026 2.079 4.996 1.00 0.26 H ATOM 109 HB3 PHE A 7 4.839 2.227 3.471 1.00 0.25 H ATOM 110 HD1 PHE A 7 3.647 4.688 6.089 1.00 3.15 H ATOM 111 HD2 PHE A 7 6.935 3.279 3.677 1.00 2.99 H ATOM 112 HE1 PHE A 7 5.115 6.436 7.059 1.00 3.27 H ATOM 113 HE2 PHE A 7 8.399 5.021 4.662 1.00 2.95 H ATOM 114 HZ PHE A 7 7.491 6.602 6.352 1.00 0.75 H ATOM 115 N PHE A 8 1.733 2.404 1.686 1.00 0.21 N ATOM 116 CA PHE A 8 1.438 1.798 0.396 1.00 0.26 C ATOM 117 C PHE A 8 2.586 0.903 -0.077 1.00 0.25 C ATOM 118 O PHE A 8 3.304 1.223 -1.016 1.00 0.35 O ATOM 119 CB PHE A 8 1.055 2.875 -0.627 1.00 0.35 C ATOM 120 CG PHE A 8 0.496 2.317 -1.925 1.00 0.54 C ATOM 121 CD1 PHE A 8 -0.866 1.969 -2.015 1.00 1.55 C ATOM 122 CD2 PHE A 8 1.329 2.142 -3.044 1.00 2.09 C ATOM 123 CE1 PHE A 8 -1.387 1.460 -3.219 1.00 1.53 C ATOM 124 CE2 PHE A 8 0.812 1.624 -4.243 1.00 2.25 C ATOM 125 CZ PHE A 8 -0.548 1.287 -4.333 1.00 0.97 C ATOM 126 H PHE A 8 1.026 2.341 2.399 1.00 0.19 H ATOM 127 HA PHE A 8 0.562 1.165 0.533 1.00 0.27 H ATOM 128 HB2 PHE A 8 0.297 3.523 -0.185 1.00 0.33 H ATOM 129 HB3 PHE A 8 1.927 3.494 -0.842 1.00 0.41 H ATOM 130 HD1 PHE A 8 -1.515 2.102 -1.163 1.00 2.86 H ATOM 131 HD2 PHE A 8 2.380 2.396 -2.986 1.00 3.33 H ATOM 132 HE1 PHE A 8 -2.436 1.211 -3.291 1.00 2.75 H ATOM 133 HE2 PHE A 8 1.467 1.496 -5.092 1.00 3.59 H ATOM 134 HZ PHE A 8 -0.948 0.903 -5.262 1.00 1.15 H ATOM 135 N LYS A 9 2.740 -0.274 0.534 1.00 0.14 N ATOM 136 CA LYS A 9 3.737 -1.236 0.060 1.00 0.12 C ATOM 137 C LYS A 9 3.208 -2.051 -1.127 1.00 0.14 C ATOM 138 O LYS A 9 3.355 -3.268 -1.126 1.00 0.20 O ATOM 139 CB LYS A 9 4.193 -2.166 1.201 1.00 0.14 C ATOM 140 CG LYS A 9 5.218 -1.520 2.145 1.00 0.18 C ATOM 141 CD LYS A 9 4.589 -0.900 3.392 1.00 0.30 C ATOM 142 CE LYS A 9 3.935 -1.997 4.245 1.00 0.39 C ATOM 143 NZ LYS A 9 2.471 -1.839 4.338 1.00 1.12 N ATOM 144 H LYS A 9 2.120 -0.500 1.297 1.00 0.13 H ATOM 145 HA LYS A 9 4.607 -0.690 -0.310 1.00 0.15 H ATOM 146 HB2 LYS A 9 3.328 -2.544 1.746 1.00 0.21 H ATOM 147 HB3 LYS A 9 4.690 -3.031 0.769 1.00 0.21 H ATOM 148 HG2 LYS A 9 5.919 -2.288 2.474 1.00 0.22 H ATOM 149 HG3 LYS A 9 5.785 -0.761 1.607 1.00 0.25 H ATOM 150 HD2 LYS A 9 5.377 -0.423 3.977 1.00 0.42 H ATOM 151 HD3 LYS A 9 3.878 -0.136 3.088 1.00 0.33 H ATOM 152 HE2 LYS A 9 4.170 -2.969 3.806 1.00 0.79 H ATOM 153 HE3 LYS A 9 4.365 -1.968 5.248 1.00 0.80 H ATOM 154 HZ1 LYS A 9 2.045 -2.645 4.774 1.00 1.99 H ATOM 155 HZ2 LYS A 9 2.258 -1.006 4.872 1.00 1.78 H ATOM 156 HZ3 LYS A 9 2.073 -1.692 3.424 1.00 1.98 H ATOM 157 N ASN A 10 2.598 -1.410 -2.132 1.00 0.17 N ATOM 158 CA ASN A 10 2.112 -1.991 -3.368 1.00 0.23 C ATOM 159 C ASN A 10 1.541 -3.369 -3.117 1.00 0.22 C ATOM 160 O ASN A 10 1.949 -4.347 -3.726 1.00 0.26 O ATOM 161 CB ASN A 10 3.214 -2.015 -4.424 1.00 0.26 C ATOM 162 CG ASN A 10 3.689 -0.634 -4.796 1.00 0.64 C ATOM 163 OD1 ASN A 10 3.644 0.308 -4.021 1.00 1.55 O ATOM 164 ND2 ASN A 10 4.189 -0.496 -6.000 1.00 0.36 N ATOM 165 H ASN A 10 2.544 -0.409 -2.165 1.00 0.19 H ATOM 166 HA ASN A 10 1.327 -1.348 -3.764 1.00 0.26 H ATOM 167 HB2 ASN A 10 4.081 -2.556 -4.067 1.00 0.34 H ATOM 168 HB3 ASN A 10 2.819 -2.509 -5.309 1.00 0.51 H ATOM 169 HD21 ASN A 10 4.234 -1.254 -6.657 1.00 0.86 H ATOM 170 HD22 ASN A 10 4.619 0.390 -6.144 1.00 0.65 H ATOM 171 N ILE A 11 0.552 -3.444 -2.236 1.00 0.18 N ATOM 172 CA ILE A 11 -0.067 -4.702 -1.847 1.00 0.18 C ATOM 173 C ILE A 11 -1.216 -5.010 -2.811 1.00 0.18 C ATOM 174 O ILE A 11 -2.291 -5.435 -2.401 1.00 0.27 O ATOM 175 CB ILE A 11 -0.475 -4.694 -0.362 1.00 0.21 C ATOM 176 CG1 ILE A 11 -1.136 -3.370 0.048 1.00 0.20 C ATOM 177 CG2 ILE A 11 0.740 -5.021 0.518 1.00 0.24 C ATOM 178 CD1 ILE A 11 -0.160 -2.313 0.591 1.00 0.16 C ATOM 179 H ILE A 11 0.235 -2.578 -1.840 1.00 0.19 H ATOM 180 HA ILE A 11 0.668 -5.488 -1.950 1.00 0.23 H ATOM 181 HB ILE A 11 -1.197 -5.498 -0.200 1.00 0.27 H ATOM 182 HG12 ILE A 11 -1.668 -2.975 -0.817 1.00 0.21 H ATOM 183 HG13 ILE A 11 -1.871 -3.584 0.822 1.00 0.26 H ATOM 184 HG21 ILE A 11 1.094 -6.028 0.290 1.00 1.53 H ATOM 185 HG22 ILE A 11 1.553 -4.323 0.327 1.00 1.63 H ATOM 186 HG23 ILE A 11 0.456 -4.984 1.570 1.00 1.51 H ATOM 187 HD11 ILE A 11 0.717 -2.213 -0.046 1.00 1.60 H ATOM 188 HD12 ILE A 11 -0.669 -1.351 0.649 1.00 1.66 H ATOM 189 HD13 ILE A 11 0.176 -2.596 1.587 1.00 1.60 H ATOM 190 N VAL A 12 -0.985 -4.765 -4.105 1.00 0.24 N ATOM 191 CA VAL A 12 -2.000 -4.946 -5.135 1.00 0.23 C ATOM 192 C VAL A 12 -1.465 -5.601 -6.405 1.00 0.29 C ATOM 193 O VAL A 12 -2.045 -6.575 -6.871 1.00 0.70 O ATOM 194 CB VAL A 12 -2.739 -3.618 -5.379 1.00 0.32 C ATOM 195 CG1 VAL A 12 -1.841 -2.375 -5.305 1.00 0.46 C ATOM 196 CG2 VAL A 12 -3.523 -3.600 -6.696 1.00 0.34 C ATOM 197 H VAL A 12 -0.099 -4.336 -4.330 1.00 0.30 H ATOM 198 HA VAL A 12 -2.719 -5.654 -4.741 1.00 0.29 H ATOM 199 HB VAL A 12 -3.455 -3.524 -4.574 1.00 0.43 H ATOM 200 HG11 VAL A 12 -1.459 -2.248 -4.291 1.00 1.58 H ATOM 201 HG12 VAL A 12 -1.016 -2.448 -6.009 1.00 1.81 H ATOM 202 HG13 VAL A 12 -2.434 -1.491 -5.545 1.00 1.43 H ATOM 203 HG21 VAL A 12 -4.101 -4.519 -6.801 1.00 1.32 H ATOM 204 HG22 VAL A 12 -4.208 -2.752 -6.707 1.00 1.28 H ATOM 205 HG23 VAL A 12 -2.841 -3.505 -7.536 1.00 1.44 H ATOM 206 N THR A 13 -0.400 -5.031 -6.968 1.00 0.54 N ATOM 207 CA THR A 13 0.351 -5.499 -8.126 1.00 0.65 C ATOM 208 C THR A 13 -0.487 -6.277 -9.154 1.00 0.44 C ATOM 209 O THR A 13 -0.429 -7.503 -9.230 1.00 1.22 O ATOM 210 CB THR A 13 1.581 -6.273 -7.640 1.00 1.07 C ATOM 211 OG1 THR A 13 1.262 -7.471 -6.967 1.00 2.49 O ATOM 212 CG2 THR A 13 2.361 -5.441 -6.635 1.00 0.66 C ATOM 213 H THR A 13 0.001 -4.258 -6.476 1.00 0.91 H ATOM 214 HA THR A 13 0.733 -4.616 -8.635 1.00 0.81 H ATOM 215 HB THR A 13 2.208 -6.467 -8.497 1.00 2.05 H ATOM 216 HG1 THR A 13 2.070 -7.944 -6.763 1.00 2.55 H ATOM 217 HG21 THR A 13 1.811 -5.475 -5.701 1.00 1.56 H ATOM 218 HG22 THR A 13 3.349 -5.871 -6.476 1.00 1.69 H ATOM 219 HG23 THR A 13 2.460 -4.412 -6.978 1.00 1.98 H ATOM 220 N PRO A 14 -1.255 -5.578 -10.000 1.00 0.59 N ATOM 221 CA PRO A 14 -2.188 -6.235 -10.891 1.00 0.77 C ATOM 222 C PRO A 14 -1.416 -6.987 -11.973 1.00 0.86 C ATOM 223 O PRO A 14 -0.974 -6.404 -12.960 1.00 1.66 O ATOM 224 CB PRO A 14 -3.076 -5.121 -11.447 1.00 1.78 C ATOM 225 CG PRO A 14 -2.178 -3.884 -11.395 1.00 2.20 C ATOM 226 CD PRO A 14 -1.264 -4.140 -10.194 1.00 1.52 C ATOM 227 HA PRO A 14 -2.805 -6.939 -10.330 1.00 0.97 H ATOM 228 HB2 PRO A 14 -3.422 -5.337 -12.459 1.00 2.01 H ATOM 229 HB3 PRO A 14 -3.926 -4.977 -10.778 1.00 2.17 H ATOM 230 HG2 PRO A 14 -1.578 -3.830 -12.305 1.00 2.45 H ATOM 231 HG3 PRO A 14 -2.760 -2.972 -11.269 1.00 2.87 H ATOM 232 HD2 PRO A 14 -0.261 -3.770 -10.412 1.00 1.74 H ATOM 233 HD3 PRO A 14 -1.662 -3.648 -9.311 1.00 1.81 H ATOM 234 N ARG A 15 -1.265 -8.297 -11.787 1.00 1.26 N ATOM 235 CA ARG A 15 -0.667 -9.193 -12.756 1.00 2.07 C ATOM 236 C ARG A 15 -1.505 -10.457 -12.734 1.00 3.07 C ATOM 237 O ARG A 15 -1.651 -11.076 -11.684 1.00 3.87 O ATOM 238 CB ARG A 15 0.795 -9.508 -12.389 1.00 2.76 C ATOM 239 CG ARG A 15 1.765 -8.920 -13.419 1.00 3.63 C ATOM 240 CD ARG A 15 3.126 -9.624 -13.353 1.00 4.91 C ATOM 241 NE ARG A 15 3.842 -9.354 -12.095 1.00 5.41 N ATOM 242 CZ ARG A 15 4.824 -10.112 -11.586 1.00 6.68 C ATOM 243 NH1 ARG A 15 5.165 -11.262 -12.172 1.00 7.52 N ATOM 244 NH2 ARG A 15 5.474 -9.718 -10.490 1.00 7.59 N ATOM 245 H ARG A 15 -1.583 -8.714 -10.919 1.00 1.58 H ATOM 246 HA ARG A 15 -0.721 -8.736 -13.745 1.00 2.30 H ATOM 247 HB2 ARG A 15 1.033 -9.125 -11.395 1.00 3.25 H ATOM 248 HB3 ARG A 15 0.932 -10.590 -12.371 1.00 3.13 H ATOM 249 HG2 ARG A 15 1.362 -9.078 -14.420 1.00 3.68 H ATOM 250 HG3 ARG A 15 1.880 -7.847 -13.252 1.00 4.07 H ATOM 251 HD2 ARG A 15 2.957 -10.695 -13.469 1.00 5.50 H ATOM 252 HD3 ARG A 15 3.740 -9.278 -14.186 1.00 5.70 H ATOM 253 HE ARG A 15 3.576 -8.501 -11.626 1.00 5.24 H ATOM 254 HH11 ARG A 15 4.679 -11.567 -13.000 1.00 7.37 H ATOM 255 HH12 ARG A 15 5.893 -11.859 -11.809 1.00 8.59 H ATOM 256 HH21 ARG A 15 5.247 -8.844 -10.039 1.00 7.58 H ATOM 257 HH22 ARG A 15 6.220 -10.267 -10.091 1.00 8.61 H ATOM 258 N THR A 16 -2.038 -10.846 -13.885 1.00 3.67 N ATOM 259 CA THR A 16 -2.747 -12.095 -14.057 1.00 4.98 C ATOM 260 C THR A 16 -2.264 -12.686 -15.375 1.00 5.65 C ATOM 261 O THR A 16 -1.664 -11.964 -16.177 1.00 5.35 O ATOM 262 CB THR A 16 -4.261 -11.826 -14.075 1.00 5.57 C ATOM 263 OG1 THR A 16 -4.600 -10.958 -15.134 1.00 5.85 O ATOM 264 CG2 THR A 16 -4.727 -11.207 -12.752 1.00 5.17 C ATOM 265 H THR A 16 -1.929 -10.312 -14.736 1.00 3.61 H ATOM 266 HA THR A 16 -2.507 -12.778 -13.243 1.00 5.43 H ATOM 267 HB THR A 16 -4.797 -12.762 -14.217 1.00 6.59 H ATOM 268 HG1 THR A 16 -4.630 -11.499 -15.942 1.00 6.57 H ATOM 269 HG21 THR A 16 -5.812 -11.120 -12.756 1.00 5.47 H ATOM 270 HG22 THR A 16 -4.421 -11.843 -11.922 1.00 5.48 H ATOM 271 HG23 THR A 16 -4.296 -10.213 -12.621 1.00 5.08 H ATOM 272 N PRO A 17 -2.518 -13.974 -15.624 1.00 6.83 N ATOM 273 CA PRO A 17 -2.553 -14.475 -16.980 1.00 7.69 C ATOM 274 C PRO A 17 -3.821 -13.947 -17.666 1.00 8.15 C ATOM 275 O PRO A 17 -4.534 -13.127 -17.035 1.00 8.09 O ATOM 276 CB PRO A 17 -2.552 -15.994 -16.819 1.00 8.81 C ATOM 277 CG PRO A 17 -3.358 -16.198 -15.536 1.00 8.98 C ATOM 278 CD PRO A 17 -3.019 -14.967 -14.691 1.00 7.65 C ATOM 279 OXT PRO A 17 -4.059 -14.385 -18.812 1.00 8.94 O ATOM 280 HA PRO A 17 -1.677 -14.150 -17.543 1.00 7.44 H ATOM 281 HB2 PRO A 17 -3.003 -16.504 -17.673 1.00 9.63 H ATOM 282 HB3 PRO A 17 -1.528 -16.338 -16.664 1.00 8.78 H ATOM 283 HG2 PRO A 17 -4.422 -16.198 -15.771 1.00 9.46 H ATOM 284 HG3 PRO A 17 -3.077 -17.121 -15.027 1.00 9.64 H ATOM 285 HD2 PRO A 17 -3.913 -14.623 -14.174 1.00 7.68 H ATOM 286 HD3 PRO A 17 -2.238 -15.212 -13.970 1.00 7.55 H TER 287 PRO A 17 ENDMDL MODEL 4 ATOM 1 N GLU A 1 -9.972 8.246 11.223 1.00 3.71 N ATOM 2 CA GLU A 1 -9.520 7.939 9.858 1.00 3.38 C ATOM 3 C GLU A 1 -8.191 7.213 9.986 1.00 3.10 C ATOM 4 O GLU A 1 -7.800 6.944 11.121 1.00 3.77 O ATOM 5 CB GLU A 1 -9.390 9.212 9.021 1.00 3.27 C ATOM 6 CG GLU A 1 -9.846 8.898 7.595 1.00 2.81 C ATOM 7 CD GLU A 1 -9.008 9.674 6.593 1.00 3.30 C ATOM 8 OE1 GLU A 1 -7.858 9.220 6.406 1.00 4.52 O ATOM 9 OE2 GLU A 1 -9.512 10.693 6.076 1.00 3.56 O ATOM 10 H1 GLU A 1 -9.200 8.689 11.702 1.00 3.63 H ATOM 11 H2 GLU A 1 -10.789 8.837 11.207 1.00 3.85 H ATOM 12 H3 GLU A 1 -10.156 7.375 11.701 1.00 3.92 H ATOM 13 HA GLU A 1 -10.242 7.274 9.385 1.00 3.54 H ATOM 14 HB2 GLU A 1 -10.020 10.002 9.431 1.00 3.39 H ATOM 15 HB3 GLU A 1 -8.354 9.555 9.040 1.00 3.90 H ATOM 16 HG2 GLU A 1 -9.721 7.833 7.393 1.00 3.36 H ATOM 17 HG3 GLU A 1 -10.905 9.140 7.491 1.00 2.79 H ATOM 18 N ASN A 2 -7.483 6.934 8.888 1.00 2.40 N ATOM 19 CA ASN A 2 -6.283 6.113 8.969 1.00 2.02 C ATOM 20 C ASN A 2 -5.116 6.905 8.386 1.00 1.28 C ATOM 21 O ASN A 2 -4.754 6.668 7.232 1.00 1.08 O ATOM 22 CB ASN A 2 -6.468 4.784 8.208 1.00 2.30 C ATOM 23 CG ASN A 2 -7.632 3.924 8.691 1.00 3.49 C ATOM 24 OD1 ASN A 2 -8.275 4.202 9.695 1.00 4.26 O ATOM 25 ND2 ASN A 2 -7.936 2.857 7.963 1.00 3.92 N ATOM 26 H ASN A 2 -7.749 7.291 7.974 1.00 2.51 H ATOM 27 HA ASN A 2 -6.070 5.874 10.011 1.00 2.20 H ATOM 28 HB2 ASN A 2 -6.617 4.998 7.150 1.00 2.35 H ATOM 29 HB3 ASN A 2 -5.553 4.201 8.313 1.00 2.13 H ATOM 30 HD21 ASN A 2 -7.415 2.621 7.134 1.00 3.60 H ATOM 31 HD22 ASN A 2 -8.709 2.291 8.275 1.00 4.77 H ATOM 32 N PRO A 3 -4.504 7.825 9.153 1.00 1.17 N ATOM 33 CA PRO A 3 -3.422 8.687 8.691 1.00 0.80 C ATOM 34 C PRO A 3 -2.087 7.930 8.715 1.00 0.60 C ATOM 35 O PRO A 3 -1.148 8.289 9.420 1.00 1.09 O ATOM 36 CB PRO A 3 -3.447 9.879 9.652 1.00 1.40 C ATOM 37 CG PRO A 3 -3.876 9.234 10.969 1.00 1.86 C ATOM 38 CD PRO A 3 -4.885 8.179 10.511 1.00 1.77 C ATOM 39 HA PRO A 3 -3.619 9.033 7.675 1.00 0.63 H ATOM 40 HB2 PRO A 3 -2.484 10.385 9.732 1.00 1.58 H ATOM 41 HB3 PRO A 3 -4.215 10.583 9.329 1.00 1.50 H ATOM 42 HG2 PRO A 3 -3.020 8.749 11.440 1.00 1.93 H ATOM 43 HG3 PRO A 3 -4.329 9.959 11.644 1.00 2.31 H ATOM 44 HD2 PRO A 3 -4.849 7.314 11.175 1.00 2.12 H ATOM 45 HD3 PRO A 3 -5.882 8.616 10.506 1.00 1.91 H ATOM 46 N VAL A 4 -2.026 6.857 7.934 1.00 0.30 N ATOM 47 CA VAL A 4 -0.926 5.930 7.792 1.00 0.23 C ATOM 48 C VAL A 4 -0.859 5.409 6.355 1.00 0.26 C ATOM 49 O VAL A 4 0.243 5.201 5.849 1.00 0.32 O ATOM 50 CB VAL A 4 -1.070 4.766 8.786 1.00 0.51 C ATOM 51 CG1 VAL A 4 -0.764 5.212 10.218 1.00 1.04 C ATOM 52 CG2 VAL A 4 -2.449 4.089 8.774 1.00 1.33 C ATOM 53 H VAL A 4 -2.846 6.651 7.406 1.00 0.77 H ATOM 54 HA VAL A 4 0.008 6.455 7.999 1.00 0.48 H ATOM 55 HB VAL A 4 -0.337 4.021 8.499 1.00 1.09 H ATOM 56 HG11 VAL A 4 -1.524 5.907 10.573 1.00 1.67 H ATOM 57 HG12 VAL A 4 -0.745 4.345 10.879 1.00 1.98 H ATOM 58 HG13 VAL A 4 0.209 5.702 10.254 1.00 1.76 H ATOM 59 HG21 VAL A 4 -3.219 4.793 9.085 1.00 2.47 H ATOM 60 HG22 VAL A 4 -2.685 3.697 7.787 1.00 1.97 H ATOM 61 HG23 VAL A 4 -2.444 3.252 9.473 1.00 1.97 H ATOM 62 N VAL A 5 -2.001 5.117 5.699 1.00 0.30 N ATOM 63 CA VAL A 5 -2.035 4.566 4.341 1.00 0.31 C ATOM 64 C VAL A 5 -1.287 3.238 4.237 1.00 0.27 C ATOM 65 O VAL A 5 -1.071 2.695 3.157 1.00 0.24 O ATOM 66 CB VAL A 5 -1.593 5.682 3.365 1.00 0.36 C ATOM 67 CG1 VAL A 5 -1.095 5.207 2.000 1.00 0.33 C ATOM 68 CG2 VAL A 5 -2.774 6.636 3.168 1.00 0.49 C ATOM 69 H VAL A 5 -2.909 5.235 6.123 1.00 0.45 H ATOM 70 HA VAL A 5 -3.056 4.276 4.113 1.00 0.34 H ATOM 71 HB VAL A 5 -0.779 6.249 3.811 1.00 0.42 H ATOM 72 HG11 VAL A 5 -0.928 6.063 1.348 1.00 1.66 H ATOM 73 HG12 VAL A 5 -0.145 4.687 2.135 1.00 1.49 H ATOM 74 HG13 VAL A 5 -1.825 4.537 1.547 1.00 1.74 H ATOM 75 HG21 VAL A 5 -2.449 7.511 2.606 1.00 1.38 H ATOM 76 HG22 VAL A 5 -3.571 6.132 2.620 1.00 1.66 H ATOM 77 HG23 VAL A 5 -3.156 6.964 4.135 1.00 1.47 H ATOM 78 N HIS A 6 -0.936 2.657 5.380 1.00 0.30 N ATOM 79 CA HIS A 6 -0.063 1.519 5.455 1.00 0.32 C ATOM 80 C HIS A 6 1.173 1.692 4.575 1.00 0.26 C ATOM 81 O HIS A 6 1.675 0.702 4.046 1.00 0.23 O ATOM 82 CB HIS A 6 -0.868 0.268 5.094 1.00 0.37 C ATOM 83 CG HIS A 6 -2.084 0.033 5.948 1.00 0.59 C ATOM 84 ND1 HIS A 6 -3.293 -0.475 5.527 1.00 0.85 N ATOM 85 CD2 HIS A 6 -2.174 0.262 7.291 1.00 0.68 C ATOM 86 CE1 HIS A 6 -4.093 -0.547 6.606 1.00 1.03 C ATOM 87 NE2 HIS A 6 -3.457 -0.101 7.701 1.00 0.92 N ATOM 88 H HIS A 6 -1.202 3.079 6.250 1.00 0.36 H ATOM 89 HA HIS A 6 0.283 1.456 6.477 1.00 0.39 H ATOM 90 HB2 HIS A 6 -1.179 0.325 4.056 1.00 0.32 H ATOM 91 HB3 HIS A 6 -0.218 -0.583 5.187 1.00 0.37 H ATOM 92 HD1 HIS A 6 -3.537 -0.751 4.586 1.00 0.95 H ATOM 93 HD2 HIS A 6 -1.380 0.651 7.907 1.00 0.69 H ATOM 94 HE1 HIS A 6 -5.108 -0.918 6.600 1.00 1.28 H ATOM 95 N PHE A 7 1.663 2.927 4.401 1.00 0.27 N ATOM 96 CA PHE A 7 2.774 3.287 3.528 1.00 0.27 C ATOM 97 C PHE A 7 2.635 2.833 2.068 1.00 0.25 C ATOM 98 O PHE A 7 3.577 2.976 1.297 1.00 0.30 O ATOM 99 CB PHE A 7 4.061 2.763 4.158 1.00 0.30 C ATOM 100 CG PHE A 7 4.898 3.848 4.794 1.00 0.45 C ATOM 101 CD1 PHE A 7 4.666 4.225 6.129 1.00 2.06 C ATOM 102 CD2 PHE A 7 5.882 4.506 4.037 1.00 1.51 C ATOM 103 CE1 PHE A 7 5.432 5.248 6.713 1.00 2.19 C ATOM 104 CE2 PHE A 7 6.646 5.532 4.621 1.00 1.46 C ATOM 105 CZ PHE A 7 6.424 5.901 5.959 1.00 0.77 C ATOM 106 H PHE A 7 1.242 3.702 4.891 1.00 0.30 H ATOM 107 HA PHE A 7 2.833 4.375 3.501 1.00 0.31 H ATOM 108 HB2 PHE A 7 3.834 1.999 4.898 1.00 0.33 H ATOM 109 HB3 PHE A 7 4.633 2.273 3.383 1.00 0.27 H ATOM 110 HD1 PHE A 7 3.893 3.734 6.702 1.00 3.32 H ATOM 111 HD2 PHE A 7 6.042 4.225 3.005 1.00 2.84 H ATOM 112 HE1 PHE A 7 5.256 5.538 7.739 1.00 3.54 H ATOM 113 HE2 PHE A 7 7.402 6.040 4.039 1.00 2.70 H ATOM 114 HZ PHE A 7 7.011 6.689 6.407 1.00 0.90 H ATOM 115 N PHE A 8 1.472 2.305 1.695 1.00 0.23 N ATOM 116 CA PHE A 8 1.144 1.706 0.411 1.00 0.24 C ATOM 117 C PHE A 8 2.307 0.881 -0.139 1.00 0.23 C ATOM 118 O PHE A 8 2.919 1.243 -1.139 1.00 0.30 O ATOM 119 CB PHE A 8 0.668 2.792 -0.562 1.00 0.32 C ATOM 120 CG PHE A 8 -0.035 2.242 -1.786 1.00 0.43 C ATOM 121 CD1 PHE A 8 -1.352 1.758 -1.671 1.00 1.96 C ATOM 122 CD2 PHE A 8 0.613 2.216 -3.035 1.00 1.78 C ATOM 123 CE1 PHE A 8 -2.024 1.264 -2.802 1.00 2.02 C ATOM 124 CE2 PHE A 8 -0.063 1.728 -4.168 1.00 1.82 C ATOM 125 CZ PHE A 8 -1.382 1.256 -4.052 1.00 0.74 C ATOM 126 H PHE A 8 0.774 2.248 2.414 1.00 0.23 H ATOM 127 HA PHE A 8 0.306 1.030 0.576 1.00 0.24 H ATOM 128 HB2 PHE A 8 -0.036 3.443 -0.041 1.00 0.35 H ATOM 129 HB3 PHE A 8 1.515 3.409 -0.864 1.00 0.37 H ATOM 130 HD1 PHE A 8 -1.852 1.777 -0.714 1.00 3.32 H ATOM 131 HD2 PHE A 8 1.629 2.572 -3.128 1.00 3.13 H ATOM 132 HE1 PHE A 8 -3.038 0.904 -2.712 1.00 3.38 H ATOM 133 HE2 PHE A 8 0.434 1.726 -5.128 1.00 3.17 H ATOM 134 HZ PHE A 8 -1.905 0.895 -4.927 1.00 0.87 H ATOM 135 N LYS A 9 2.607 -0.265 0.483 1.00 0.16 N ATOM 136 CA LYS A 9 3.690 -1.122 -0.006 1.00 0.18 C ATOM 137 C LYS A 9 3.238 -1.979 -1.199 1.00 0.20 C ATOM 138 O LYS A 9 3.466 -3.183 -1.190 1.00 0.28 O ATOM 139 CB LYS A 9 4.253 -2.017 1.114 1.00 0.21 C ATOM 140 CG LYS A 9 5.212 -1.289 2.070 1.00 0.26 C ATOM 141 CD LYS A 9 4.486 -0.727 3.285 1.00 0.27 C ATOM 142 CE LYS A 9 4.036 -1.877 4.194 1.00 0.36 C ATOM 143 NZ LYS A 9 2.890 -1.477 5.025 1.00 1.14 N ATOM 144 H LYS A 9 2.065 -0.538 1.292 1.00 0.13 H ATOM 145 HA LYS A 9 4.498 -0.481 -0.354 1.00 0.24 H ATOM 146 HB2 LYS A 9 3.435 -2.496 1.650 1.00 0.23 H ATOM 147 HB3 LYS A 9 4.844 -2.807 0.660 1.00 0.28 H ATOM 148 HG2 LYS A 9 5.968 -1.993 2.422 1.00 0.34 H ATOM 149 HG3 LYS A 9 5.719 -0.483 1.540 1.00 0.39 H ATOM 150 HD2 LYS A 9 5.158 -0.073 3.841 1.00 0.41 H ATOM 151 HD3 LYS A 9 3.638 -0.146 2.933 1.00 0.34 H ATOM 152 HE2 LYS A 9 3.746 -2.734 3.585 1.00 0.82 H ATOM 153 HE3 LYS A 9 4.874 -2.179 4.827 1.00 1.01 H ATOM 154 HZ1 LYS A 9 3.127 -0.661 5.569 1.00 1.94 H ATOM 155 HZ2 LYS A 9 2.127 -1.205 4.416 1.00 1.70 H ATOM 156 HZ3 LYS A 9 2.597 -2.233 5.628 1.00 1.84 H ATOM 157 N ASN A 10 2.600 -1.389 -2.218 1.00 0.18 N ATOM 158 CA ASN A 10 2.179 -2.010 -3.460 1.00 0.22 C ATOM 159 C ASN A 10 1.661 -3.410 -3.216 1.00 0.23 C ATOM 160 O ASN A 10 2.067 -4.361 -3.869 1.00 0.31 O ATOM 161 CB ASN A 10 3.307 -1.974 -4.481 1.00 0.29 C ATOM 162 CG ASN A 10 3.662 -0.561 -4.870 1.00 0.64 C ATOM 163 OD1 ASN A 10 3.386 0.405 -4.172 1.00 1.41 O ATOM 164 ND2 ASN A 10 4.299 -0.425 -6.008 1.00 0.40 N ATOM 165 H ASN A 10 2.473 -0.395 -2.256 1.00 0.22 H ATOM 166 HA ASN A 10 1.378 -1.407 -3.888 1.00 0.23 H ATOM 167 HB2 ASN A 10 4.204 -2.438 -4.086 1.00 0.32 H ATOM 168 HB3 ASN A 10 2.982 -2.511 -5.369 1.00 0.49 H ATOM 169 HD21 ASN A 10 4.494 -1.208 -6.605 1.00 0.74 H ATOM 170 HD22 ASN A 10 4.629 0.499 -6.177 1.00 0.68 H ATOM 171 N ILE A 11 0.705 -3.527 -2.303 1.00 0.20 N ATOM 172 CA ILE A 11 0.099 -4.795 -1.925 1.00 0.28 C ATOM 173 C ILE A 11 -1.057 -5.101 -2.884 1.00 0.29 C ATOM 174 O ILE A 11 -2.131 -5.525 -2.469 1.00 0.33 O ATOM 175 CB ILE A 11 -0.306 -4.807 -0.440 1.00 0.33 C ATOM 176 CG1 ILE A 11 -1.007 -3.504 -0.029 1.00 0.29 C ATOM 177 CG2 ILE A 11 0.913 -5.108 0.444 1.00 0.36 C ATOM 178 CD1 ILE A 11 -0.065 -2.424 0.525 1.00 0.20 C ATOM 179 H ILE A 11 0.390 -2.674 -1.878 1.00 0.16 H ATOM 180 HA ILE A 11 0.842 -5.571 -2.042 1.00 0.34 H ATOM 181 HB ILE A 11 -1.008 -5.629 -0.285 1.00 0.43 H ATOM 182 HG12 ILE A 11 -1.542 -3.116 -0.896 1.00 0.29 H ATOM 183 HG13 ILE A 11 -1.744 -3.740 0.737 1.00 0.38 H ATOM 184 HG21 ILE A 11 1.715 -4.396 0.257 1.00 1.58 H ATOM 185 HG22 ILE A 11 0.626 -5.074 1.495 1.00 1.30 H ATOM 186 HG23 ILE A 11 1.284 -6.109 0.220 1.00 1.54 H ATOM 187 HD11 ILE A 11 0.241 -2.686 1.538 1.00 1.64 H ATOM 188 HD12 ILE A 11 0.832 -2.330 -0.083 1.00 1.64 H ATOM 189 HD13 ILE A 11 -0.584 -1.467 0.548 1.00 1.52 H ATOM 190 N VAL A 12 -0.837 -4.857 -4.178 1.00 0.35 N ATOM 191 CA VAL A 12 -1.842 -5.057 -5.211 1.00 0.32 C ATOM 192 C VAL A 12 -1.271 -5.749 -6.446 1.00 0.36 C ATOM 193 O VAL A 12 -1.763 -6.804 -6.829 1.00 0.49 O ATOM 194 CB VAL A 12 -2.577 -3.732 -5.497 1.00 0.44 C ATOM 195 CG1 VAL A 12 -1.694 -2.480 -5.388 1.00 0.60 C ATOM 196 CG2 VAL A 12 -3.306 -3.724 -6.845 1.00 0.48 C ATOM 197 H VAL A 12 0.050 -4.439 -4.418 1.00 0.39 H ATOM 198 HA VAL A 12 -2.573 -5.752 -4.811 1.00 0.29 H ATOM 199 HB VAL A 12 -3.330 -3.639 -4.725 1.00 0.49 H ATOM 200 HG11 VAL A 12 -2.283 -1.603 -5.661 1.00 1.32 H ATOM 201 HG12 VAL A 12 -1.360 -2.345 -4.359 1.00 1.39 H ATOM 202 HG13 VAL A 12 -0.836 -2.548 -6.054 1.00 1.80 H ATOM 203 HG21 VAL A 12 -3.861 -4.654 -6.979 1.00 1.36 H ATOM 204 HG22 VAL A 12 -4.004 -2.889 -6.881 1.00 1.16 H ATOM 205 HG23 VAL A 12 -2.591 -3.610 -7.656 1.00 1.62 H ATOM 206 N THR A 13 -0.259 -5.144 -7.067 1.00 0.66 N ATOM 207 CA THR A 13 0.470 -5.632 -8.229 1.00 0.77 C ATOM 208 C THR A 13 -0.408 -6.392 -9.238 1.00 0.53 C ATOM 209 O THR A 13 -0.400 -7.623 -9.275 1.00 1.28 O ATOM 210 CB THR A 13 1.683 -6.434 -7.749 1.00 1.18 C ATOM 211 OG1 THR A 13 1.337 -7.652 -7.126 1.00 2.48 O ATOM 212 CG2 THR A 13 2.481 -5.648 -6.715 1.00 0.65 C ATOM 213 H THR A 13 0.116 -4.320 -6.642 1.00 0.97 H ATOM 214 HA THR A 13 0.871 -4.761 -8.747 1.00 0.95 H ATOM 215 HB THR A 13 2.312 -6.609 -8.610 1.00 2.20 H ATOM 216 HG1 THR A 13 0.653 -8.078 -7.658 1.00 2.44 H ATOM 217 HG21 THR A 13 3.462 -6.104 -6.583 1.00 1.84 H ATOM 218 HG22 THR A 13 2.600 -4.610 -7.023 1.00 1.87 H ATOM 219 HG23 THR A 13 1.947 -5.703 -5.769 1.00 1.32 H ATOM 220 N PRO A 14 -1.177 -5.674 -10.066 1.00 0.56 N ATOM 221 CA PRO A 14 -2.096 -6.293 -10.997 1.00 0.72 C ATOM 222 C PRO A 14 -1.324 -6.970 -12.130 1.00 0.91 C ATOM 223 O PRO A 14 -0.125 -6.759 -12.307 1.00 1.72 O ATOM 224 CB PRO A 14 -3.004 -5.162 -11.479 1.00 1.74 C ATOM 225 CG PRO A 14 -2.185 -3.883 -11.282 1.00 2.21 C ATOM 226 CD PRO A 14 -1.111 -4.241 -10.257 1.00 1.50 C ATOM 227 HA PRO A 14 -2.690 -7.045 -10.476 1.00 0.89 H ATOM 228 HB2 PRO A 14 -3.306 -5.289 -12.519 1.00 2.02 H ATOM 229 HB3 PRO A 14 -3.885 -5.122 -10.837 1.00 2.10 H ATOM 230 HG2 PRO A 14 -1.705 -3.594 -12.213 1.00 2.56 H ATOM 231 HG3 PRO A 14 -2.816 -3.070 -10.922 1.00 2.89 H ATOM 232 HD2 PRO A 14 -0.133 -3.973 -10.656 1.00 1.73 H ATOM 233 HD3 PRO A 14 -1.292 -3.720 -9.321 1.00 1.81 H ATOM 234 N ARG A 15 -2.015 -7.811 -12.902 1.00 1.99 N ATOM 235 CA ARG A 15 -1.394 -8.611 -13.955 1.00 2.69 C ATOM 236 C ARG A 15 -1.269 -7.774 -15.224 1.00 4.31 C ATOM 237 O ARG A 15 -1.913 -8.065 -16.229 1.00 5.84 O ATOM 238 CB ARG A 15 -2.205 -9.889 -14.215 1.00 4.22 C ATOM 239 CG ARG A 15 -2.456 -10.674 -12.923 1.00 4.92 C ATOM 240 CD ARG A 15 -2.896 -12.114 -13.210 1.00 6.96 C ATOM 241 NE ARG A 15 -4.132 -12.181 -14.006 1.00 8.44 N ATOM 242 CZ ARG A 15 -4.769 -13.316 -14.326 1.00 10.30 C ATOM 243 NH1 ARG A 15 -4.289 -14.488 -13.909 1.00 10.94 N ATOM 244 NH2 ARG A 15 -5.883 -13.278 -15.059 1.00 11.83 N ATOM 245 H ARG A 15 -3.009 -7.869 -12.752 1.00 2.83 H ATOM 246 HA ARG A 15 -0.387 -8.891 -13.635 1.00 2.25 H ATOM 247 HB2 ARG A 15 -3.164 -9.632 -14.667 1.00 5.51 H ATOM 248 HB3 ARG A 15 -1.646 -10.515 -14.913 1.00 4.58 H ATOM 249 HG2 ARG A 15 -1.534 -10.704 -12.340 1.00 4.54 H ATOM 250 HG3 ARG A 15 -3.223 -10.170 -12.335 1.00 5.15 H ATOM 251 HD2 ARG A 15 -2.095 -12.624 -13.748 1.00 7.23 H ATOM 252 HD3 ARG A 15 -3.056 -12.618 -12.256 1.00 7.54 H ATOM 253 HE ARG A 15 -4.497 -11.297 -14.330 1.00 8.31 H ATOM 254 HH11 ARG A 15 -3.445 -14.515 -13.361 1.00 10.18 H ATOM 255 HH12 ARG A 15 -4.739 -15.365 -14.125 1.00 12.39 H ATOM 256 HH21 ARG A 15 -6.261 -12.402 -15.389 1.00 11.81 H ATOM 257 HH22 ARG A 15 -6.379 -14.121 -15.310 1.00 13.24 H ATOM 258 N THR A 16 -0.470 -6.717 -15.169 1.00 4.92 N ATOM 259 CA THR A 16 -0.395 -5.701 -16.201 1.00 7.03 C ATOM 260 C THR A 16 1.010 -5.107 -16.150 1.00 8.02 C ATOM 261 O THR A 16 1.570 -5.030 -15.055 1.00 7.61 O ATOM 262 CB THR A 16 -1.434 -4.615 -15.899 1.00 7.77 C ATOM 263 OG1 THR A 16 -1.386 -4.294 -14.525 1.00 7.53 O ATOM 264 CG2 THR A 16 -2.860 -5.068 -16.224 1.00 7.51 C ATOM 265 H THR A 16 0.055 -6.517 -14.325 1.00 4.54 H ATOM 266 HA THR A 16 -0.583 -6.143 -17.179 1.00 7.78 H ATOM 267 HB THR A 16 -1.206 -3.729 -16.489 1.00 9.24 H ATOM 268 HG1 THR A 16 -0.467 -4.101 -14.302 1.00 8.11 H ATOM 269 HG21 THR A 16 -3.183 -5.837 -15.522 1.00 6.57 H ATOM 270 HG22 THR A 16 -3.535 -4.216 -16.141 1.00 8.13 H ATOM 271 HG23 THR A 16 -2.902 -5.460 -17.239 1.00 8.24 H ATOM 272 N PRO A 17 1.571 -4.698 -17.291 1.00 9.77 N ATOM 273 CA PRO A 17 2.874 -4.059 -17.345 1.00 11.23 C ATOM 274 C PRO A 17 2.784 -2.628 -16.814 1.00 12.51 C ATOM 275 O PRO A 17 3.864 -2.078 -16.512 1.00 13.53 O ATOM 276 CB PRO A 17 3.252 -4.085 -18.826 1.00 12.64 C ATOM 277 CG PRO A 17 1.898 -3.935 -19.520 1.00 12.93 C ATOM 278 CD PRO A 17 0.940 -4.693 -18.598 1.00 10.93 C ATOM 279 OXT PRO A 17 1.650 -2.104 -16.748 1.00 12.75 O ATOM 280 HA PRO A 17 3.603 -4.615 -16.756 1.00 10.69 H ATOM 281 HB2 PRO A 17 3.938 -3.280 -19.089 1.00 14.12 H ATOM 282 HB3 PRO A 17 3.683 -5.056 -19.072 1.00 12.09 H ATOM 283 HG2 PRO A 17 1.619 -2.882 -19.552 1.00 13.98 H ATOM 284 HG3 PRO A 17 1.910 -4.362 -20.523 1.00 13.62 H ATOM 285 HD2 PRO A 17 -0.024 -4.183 -18.563 1.00 11.22 H ATOM 286 HD3 PRO A 17 0.820 -5.717 -18.949 1.00 10.41 H TER 287 PRO A 17 ENDMDL MODEL 5 ATOM 1 N GLU A 1 -10.377 4.546 9.139 1.00 3.23 N ATOM 2 CA GLU A 1 -9.675 5.066 7.953 1.00 2.72 C ATOM 3 C GLU A 1 -8.248 4.550 7.988 1.00 2.69 C ATOM 4 O GLU A 1 -7.933 3.716 8.832 1.00 4.07 O ATOM 5 CB GLU A 1 -9.738 6.599 7.882 1.00 2.91 C ATOM 6 CG GLU A 1 -9.184 7.238 9.159 1.00 4.46 C ATOM 7 CD GLU A 1 -10.294 7.615 10.130 1.00 5.59 C ATOM 8 OE1 GLU A 1 -11.081 6.685 10.422 1.00 6.72 O ATOM 9 OE2 GLU A 1 -10.327 8.785 10.559 1.00 5.86 O ATOM 10 H1 GLU A 1 -9.786 4.728 9.939 1.00 3.49 H ATOM 11 H2 GLU A 1 -11.247 5.042 9.288 1.00 3.35 H ATOM 12 H3 GLU A 1 -10.513 3.551 9.061 1.00 3.23 H ATOM 13 HA GLU A 1 -10.133 4.678 7.052 1.00 2.39 H ATOM 14 HB2 GLU A 1 -9.158 6.947 7.026 1.00 2.89 H ATOM 15 HB3 GLU A 1 -10.769 6.913 7.722 1.00 3.68 H ATOM 16 HG2 GLU A 1 -8.556 6.511 9.659 1.00 5.82 H ATOM 17 HG3 GLU A 1 -8.585 8.111 8.897 1.00 4.55 H ATOM 18 N ASN A 2 -7.387 5.053 7.109 1.00 1.30 N ATOM 19 CA ASN A 2 -5.981 4.707 7.064 1.00 1.06 C ATOM 20 C ASN A 2 -5.160 5.989 7.000 1.00 0.76 C ATOM 21 O ASN A 2 -4.566 6.297 5.970 1.00 0.68 O ATOM 22 CB ASN A 2 -5.681 3.781 5.872 1.00 1.13 C ATOM 23 CG ASN A 2 -6.499 4.092 4.616 1.00 1.96 C ATOM 24 OD1 ASN A 2 -6.934 5.215 4.392 1.00 3.27 O ATOM 25 ND2 ASN A 2 -6.774 3.090 3.791 1.00 2.04 N ATOM 26 H ASN A 2 -7.686 5.710 6.397 1.00 1.05 H ATOM 27 HA ASN A 2 -5.722 4.172 7.980 1.00 1.28 H ATOM 28 HB2 ASN A 2 -4.627 3.842 5.620 1.00 1.67 H ATOM 29 HB3 ASN A 2 -5.864 2.765 6.201 1.00 1.58 H ATOM 30 HD21 ASN A 2 -6.454 2.150 3.961 1.00 2.04 H ATOM 31 HD22 ASN A 2 -7.330 3.314 2.980 1.00 2.83 H ATOM 32 N PRO A 3 -5.011 6.698 8.128 1.00 0.70 N ATOM 33 CA PRO A 3 -4.269 7.948 8.197 1.00 0.65 C ATOM 34 C PRO A 3 -2.756 7.725 8.185 1.00 0.53 C ATOM 35 O PRO A 3 -1.980 8.631 8.469 1.00 0.93 O ATOM 36 CB PRO A 3 -4.758 8.611 9.487 1.00 0.85 C ATOM 37 CG PRO A 3 -5.060 7.423 10.401 1.00 0.88 C ATOM 38 CD PRO A 3 -5.496 6.316 9.440 1.00 0.92 C ATOM 39 HA PRO A 3 -4.510 8.561 7.338 1.00 0.72 H ATOM 40 HB2 PRO A 3 -4.017 9.282 9.924 1.00 0.91 H ATOM 41 HB3 PRO A 3 -5.682 9.153 9.281 1.00 1.01 H ATOM 42 HG2 PRO A 3 -4.151 7.118 10.921 1.00 0.79 H ATOM 43 HG3 PRO A 3 -5.850 7.662 11.114 1.00 1.13 H ATOM 44 HD2 PRO A 3 -5.071 5.362 9.753 1.00 1.02 H ATOM 45 HD3 PRO A 3 -6.575 6.249 9.418 1.00 1.27 H ATOM 46 N VAL A 4 -2.337 6.517 7.821 1.00 0.33 N ATOM 47 CA VAL A 4 -0.956 6.098 7.710 1.00 0.18 C ATOM 48 C VAL A 4 -0.670 5.524 6.323 1.00 0.16 C ATOM 49 O VAL A 4 0.482 5.238 5.996 1.00 0.24 O ATOM 50 CB VAL A 4 -0.700 5.045 8.791 1.00 0.24 C ATOM 51 CG1 VAL A 4 -0.573 5.719 10.160 1.00 1.07 C ATOM 52 CG2 VAL A 4 -1.821 3.995 8.870 1.00 0.93 C ATOM 53 H VAL A 4 -3.032 5.805 7.670 1.00 0.70 H ATOM 54 HA VAL A 4 -0.290 6.948 7.868 1.00 0.32 H ATOM 55 HB VAL A 4 0.227 4.536 8.542 1.00 0.78 H ATOM 56 HG11 VAL A 4 -1.499 6.241 10.407 1.00 1.71 H ATOM 57 HG12 VAL A 4 -0.366 4.971 10.924 1.00 1.83 H ATOM 58 HG13 VAL A 4 0.242 6.442 10.139 1.00 1.97 H ATOM 59 HG21 VAL A 4 -2.053 3.597 7.884 1.00 2.03 H ATOM 60 HG22 VAL A 4 -1.502 3.174 9.512 1.00 1.66 H ATOM 61 HG23 VAL A 4 -2.724 4.430 9.300 1.00 2.15 H ATOM 62 N VAL A 5 -1.717 5.266 5.528 1.00 0.20 N ATOM 63 CA VAL A 5 -1.653 4.651 4.207 1.00 0.25 C ATOM 64 C VAL A 5 -0.932 3.307 4.205 1.00 0.21 C ATOM 65 O VAL A 5 -0.696 2.708 3.159 1.00 0.26 O ATOM 66 CB VAL A 5 -1.121 5.727 3.238 1.00 0.33 C ATOM 67 CG1 VAL A 5 -0.629 5.198 1.892 1.00 0.37 C ATOM 68 CG2 VAL A 5 -2.235 6.754 3.006 1.00 0.47 C ATOM 69 H VAL A 5 -2.622 5.612 5.794 1.00 0.31 H ATOM 70 HA VAL A 5 -2.657 4.368 3.912 1.00 0.32 H ATOM 71 HB VAL A 5 -0.285 6.245 3.709 1.00 0.34 H ATOM 72 HG11 VAL A 5 0.286 4.630 2.054 1.00 1.46 H ATOM 73 HG12 VAL A 5 -1.389 4.560 1.441 1.00 1.20 H ATOM 74 HG13 VAL A 5 -0.402 6.029 1.225 1.00 1.47 H ATOM 75 HG21 VAL A 5 -2.502 7.235 3.949 1.00 1.42 H ATOM 76 HG22 VAL A 5 -1.894 7.522 2.312 1.00 1.67 H ATOM 77 HG23 VAL A 5 -3.116 6.263 2.595 1.00 1.32 H ATOM 78 N HIS A 6 -0.636 2.770 5.387 1.00 0.17 N ATOM 79 CA HIS A 6 0.247 1.651 5.550 1.00 0.18 C ATOM 80 C HIS A 6 1.479 1.775 4.655 1.00 0.19 C ATOM 81 O HIS A 6 1.932 0.770 4.115 1.00 0.20 O ATOM 82 CB HIS A 6 -0.556 0.374 5.286 1.00 0.21 C ATOM 83 CG HIS A 6 -1.652 0.086 6.276 1.00 0.33 C ATOM 84 ND1 HIS A 6 -2.765 -0.694 6.052 1.00 0.50 N ATOM 85 CD2 HIS A 6 -1.680 0.481 7.583 1.00 0.40 C ATOM 86 CE1 HIS A 6 -3.450 -0.757 7.207 1.00 0.61 C ATOM 87 NE2 HIS A 6 -2.832 -0.049 8.165 1.00 0.54 N ATOM 88 H HIS A 6 -0.910 3.236 6.231 1.00 0.18 H ATOM 89 HA HIS A 6 0.606 1.665 6.571 1.00 0.22 H ATOM 90 HB2 HIS A 6 -0.981 0.412 4.286 1.00 0.22 H ATOM 91 HB3 HIS A 6 0.129 -0.452 5.311 1.00 0.23 H ATOM 92 HD1 HIS A 6 -3.017 -1.155 5.189 1.00 0.59 H ATOM 93 HD2 HIS A 6 -0.926 1.074 8.072 1.00 0.44 H ATOM 94 HE1 HIS A 6 -4.367 -1.311 7.356 1.00 0.78 H ATOM 95 N PHE A 7 2.011 2.994 4.482 1.00 0.24 N ATOM 96 CA PHE A 7 3.174 3.295 3.651 1.00 0.33 C ATOM 97 C PHE A 7 3.069 2.827 2.188 1.00 0.36 C ATOM 98 O PHE A 7 4.046 2.911 1.454 1.00 0.45 O ATOM 99 CB PHE A 7 4.412 2.716 4.342 1.00 0.37 C ATOM 100 CG PHE A 7 5.335 3.747 4.958 1.00 0.52 C ATOM 101 CD1 PHE A 7 4.859 4.609 5.964 1.00 1.88 C ATOM 102 CD2 PHE A 7 6.675 3.840 4.536 1.00 1.77 C ATOM 103 CE1 PHE A 7 5.718 5.557 6.545 1.00 1.97 C ATOM 104 CE2 PHE A 7 7.534 4.786 5.120 1.00 1.80 C ATOM 105 CZ PHE A 7 7.057 5.645 6.125 1.00 0.85 C ATOM 106 H PHE A 7 1.597 3.782 4.961 1.00 0.23 H ATOM 107 HA PHE A 7 3.286 4.380 3.616 1.00 0.39 H ATOM 108 HB2 PHE A 7 4.103 2.018 5.117 1.00 0.35 H ATOM 109 HB3 PHE A 7 4.952 2.127 3.613 1.00 0.39 H ATOM 110 HD1 PHE A 7 3.832 4.545 6.294 1.00 3.14 H ATOM 111 HD2 PHE A 7 7.047 3.184 3.762 1.00 3.06 H ATOM 112 HE1 PHE A 7 5.351 6.220 7.316 1.00 3.26 H ATOM 113 HE2 PHE A 7 8.563 4.855 4.795 1.00 3.05 H ATOM 114 HZ PHE A 7 7.719 6.373 6.573 1.00 0.97 H ATOM 115 N PHE A 8 1.895 2.353 1.769 1.00 0.32 N ATOM 116 CA PHE A 8 1.591 1.755 0.477 1.00 0.36 C ATOM 117 C PHE A 8 2.703 0.813 0.005 1.00 0.34 C ATOM 118 O PHE A 8 3.446 1.109 -0.923 1.00 0.47 O ATOM 119 CB PHE A 8 1.253 2.845 -0.547 1.00 0.49 C ATOM 120 CG PHE A 8 0.666 2.315 -1.843 1.00 0.65 C ATOM 121 CD1 PHE A 8 -0.715 2.061 -1.941 1.00 1.51 C ATOM 122 CD2 PHE A 8 1.493 2.079 -2.957 1.00 2.30 C ATOM 123 CE1 PHE A 8 -1.265 1.596 -3.149 1.00 1.51 C ATOM 124 CE2 PHE A 8 0.947 1.603 -4.160 1.00 2.44 C ATOM 125 CZ PHE A 8 -0.434 1.367 -4.260 1.00 1.04 C ATOM 126 H PHE A 8 1.172 2.323 2.466 1.00 0.28 H ATOM 127 HA PHE A 8 0.689 1.157 0.608 1.00 0.34 H ATOM 128 HB2 PHE A 8 0.526 3.525 -0.104 1.00 0.47 H ATOM 129 HB3 PHE A 8 2.151 3.427 -0.765 1.00 0.57 H ATOM 130 HD1 PHE A 8 -1.357 2.233 -1.090 1.00 2.85 H ATOM 131 HD2 PHE A 8 2.558 2.256 -2.893 1.00 3.61 H ATOM 132 HE1 PHE A 8 -2.329 1.426 -3.228 1.00 2.77 H ATOM 133 HE2 PHE A 8 1.597 1.429 -5.005 1.00 3.83 H ATOM 134 HZ PHE A 8 -0.856 1.019 -5.192 1.00 1.20 H ATOM 135 N LYS A 9 2.796 -0.379 0.600 1.00 0.19 N ATOM 136 CA LYS A 9 3.767 -1.371 0.130 1.00 0.19 C ATOM 137 C LYS A 9 3.226 -2.176 -1.059 1.00 0.16 C ATOM 138 O LYS A 9 3.307 -3.399 -1.035 1.00 0.21 O ATOM 139 CB LYS A 9 4.193 -2.315 1.270 1.00 0.22 C ATOM 140 CG LYS A 9 5.183 -1.676 2.253 1.00 0.29 C ATOM 141 CD LYS A 9 4.512 -1.016 3.455 1.00 0.38 C ATOM 142 CE LYS A 9 3.834 -2.067 4.347 1.00 0.46 C ATOM 143 NZ LYS A 9 2.359 -2.031 4.269 1.00 1.22 N ATOM 144 H LYS A 9 2.161 -0.585 1.358 1.00 0.12 H ATOM 145 HA LYS A 9 4.656 -0.851 -0.232 1.00 0.27 H ATOM 146 HB2 LYS A 9 3.319 -2.709 1.783 1.00 0.24 H ATOM 147 HB3 LYS A 9 4.710 -3.166 0.834 1.00 0.28 H ATOM 148 HG2 LYS A 9 5.852 -2.452 2.627 1.00 0.32 H ATOM 149 HG3 LYS A 9 5.791 -0.938 1.728 1.00 0.34 H ATOM 150 HD2 LYS A 9 5.284 -0.517 4.041 1.00 0.49 H ATOM 151 HD3 LYS A 9 3.814 -0.261 3.106 1.00 0.37 H ATOM 152 HE2 LYS A 9 4.187 -3.058 4.058 1.00 0.83 H ATOM 153 HE3 LYS A 9 4.134 -1.884 5.380 1.00 0.86 H ATOM 154 HZ1 LYS A 9 1.958 -2.710 4.900 1.00 2.05 H ATOM 155 HZ2 LYS A 9 2.038 -1.108 4.532 1.00 1.75 H ATOM 156 HZ3 LYS A 9 2.047 -2.222 3.331 1.00 2.08 H ATOM 157 N ASN A 10 2.672 -1.521 -2.088 1.00 0.16 N ATOM 158 CA ASN A 10 2.179 -2.098 -3.328 1.00 0.18 C ATOM 159 C ASN A 10 1.555 -3.461 -3.098 1.00 0.17 C ATOM 160 O ASN A 10 1.887 -4.440 -3.755 1.00 0.22 O ATOM 161 CB ASN A 10 3.284 -2.156 -4.376 1.00 0.22 C ATOM 162 CG ASN A 10 3.771 -0.788 -4.772 1.00 0.65 C ATOM 163 OD1 ASN A 10 3.735 0.167 -4.010 1.00 1.57 O ATOM 164 ND2 ASN A 10 4.268 -0.676 -5.980 1.00 0.32 N ATOM 165 H ASN A 10 2.676 -0.516 -2.122 1.00 0.22 H ATOM 166 HA ASN A 10 1.413 -1.435 -3.728 1.00 0.22 H ATOM 167 HB2 ASN A 10 4.146 -2.699 -4.008 1.00 0.39 H ATOM 168 HB3 ASN A 10 2.890 -2.664 -5.256 1.00 0.40 H ATOM 169 HD21 ASN A 10 4.305 -1.447 -6.622 1.00 0.82 H ATOM 170 HD22 ASN A 10 4.710 0.201 -6.144 1.00 0.64 H ATOM 171 N ILE A 11 0.580 -3.501 -2.198 1.00 0.16 N ATOM 172 CA ILE A 11 -0.125 -4.715 -1.821 1.00 0.18 C ATOM 173 C ILE A 11 -1.273 -4.962 -2.809 1.00 0.19 C ATOM 174 O ILE A 11 -2.345 -5.425 -2.432 1.00 0.27 O ATOM 175 CB ILE A 11 -0.564 -4.668 -0.345 1.00 0.21 C ATOM 176 CG1 ILE A 11 -1.153 -3.303 0.040 1.00 0.20 C ATOM 177 CG2 ILE A 11 0.611 -5.045 0.568 1.00 0.23 C ATOM 178 CD1 ILE A 11 -0.130 -2.303 0.608 1.00 0.16 C ATOM 179 H ILE A 11 0.322 -2.625 -1.780 1.00 0.15 H ATOM 180 HA ILE A 11 0.566 -5.541 -1.903 1.00 0.20 H ATOM 181 HB ILE A 11 -1.333 -5.426 -0.190 1.00 0.26 H ATOM 182 HG12 ILE A 11 -1.635 -2.881 -0.841 1.00 0.20 H ATOM 183 HG13 ILE A 11 -1.922 -3.467 0.792 1.00 0.25 H ATOM 184 HG21 ILE A 11 1.465 -4.395 0.384 1.00 1.44 H ATOM 185 HG22 ILE A 11 0.306 -4.974 1.611 1.00 1.48 H ATOM 186 HG23 ILE A 11 0.914 -6.073 0.363 1.00 1.45 H ATOM 187 HD11 ILE A 11 0.161 -2.598 1.616 1.00 1.62 H ATOM 188 HD12 ILE A 11 0.772 -2.262 -0.001 1.00 1.56 H ATOM 189 HD13 ILE A 11 -0.578 -1.311 0.645 1.00 1.60 H ATOM 190 N VAL A 12 -1.050 -4.633 -4.084 1.00 0.24 N ATOM 191 CA VAL A 12 -2.019 -4.834 -5.148 1.00 0.25 C ATOM 192 C VAL A 12 -1.307 -5.312 -6.419 1.00 0.27 C ATOM 193 O VAL A 12 -1.307 -6.512 -6.666 1.00 0.37 O ATOM 194 CB VAL A 12 -2.935 -3.597 -5.277 1.00 0.31 C ATOM 195 CG1 VAL A 12 -2.219 -2.268 -4.984 1.00 0.42 C ATOM 196 CG2 VAL A 12 -3.645 -3.506 -6.630 1.00 0.36 C ATOM 197 H VAL A 12 -0.150 -4.236 -4.316 1.00 0.31 H ATOM 198 HA VAL A 12 -2.659 -5.663 -4.849 1.00 0.28 H ATOM 199 HB VAL A 12 -3.711 -3.706 -4.519 1.00 0.38 H ATOM 200 HG11 VAL A 12 -1.310 -2.168 -5.573 1.00 1.45 H ATOM 201 HG12 VAL A 12 -2.886 -1.438 -5.219 1.00 1.62 H ATOM 202 HG13 VAL A 12 -1.970 -2.208 -3.924 1.00 1.74 H ATOM 203 HG21 VAL A 12 -2.982 -3.075 -7.377 1.00 1.67 H ATOM 204 HG22 VAL A 12 -3.980 -4.495 -6.947 1.00 1.44 H ATOM 205 HG23 VAL A 12 -4.518 -2.859 -6.537 1.00 1.74 H ATOM 206 N THR A 13 -0.686 -4.415 -7.199 1.00 0.47 N ATOM 207 CA THR A 13 0.101 -4.715 -8.402 1.00 0.53 C ATOM 208 C THR A 13 -0.431 -5.921 -9.200 1.00 0.33 C ATOM 209 O THR A 13 0.179 -6.991 -9.187 1.00 1.23 O ATOM 210 CB THR A 13 1.596 -4.820 -8.035 1.00 0.96 C ATOM 211 OG1 THR A 13 2.356 -5.246 -9.144 1.00 2.07 O ATOM 212 CG2 THR A 13 1.906 -5.740 -6.853 1.00 0.50 C ATOM 213 H THR A 13 -0.739 -3.447 -6.935 1.00 0.70 H ATOM 214 HA THR A 13 0.026 -3.851 -9.059 1.00 0.70 H ATOM 215 HB THR A 13 1.937 -3.820 -7.766 1.00 1.70 H ATOM 216 HG1 THR A 13 2.124 -6.172 -9.299 1.00 2.02 H ATOM 217 HG21 THR A 13 1.558 -6.754 -7.047 1.00 1.72 H ATOM 218 HG22 THR A 13 2.981 -5.752 -6.675 1.00 1.47 H ATOM 219 HG23 THR A 13 1.419 -5.366 -5.957 1.00 1.47 H ATOM 220 N PRO A 14 -1.538 -5.754 -9.939 1.00 0.69 N ATOM 221 CA PRO A 14 -2.233 -6.851 -10.596 1.00 0.81 C ATOM 222 C PRO A 14 -1.443 -7.347 -11.811 1.00 0.79 C ATOM 223 O PRO A 14 -1.706 -6.954 -12.945 1.00 1.74 O ATOM 224 CB PRO A 14 -3.609 -6.282 -10.965 1.00 1.89 C ATOM 225 CG PRO A 14 -3.342 -4.791 -11.159 1.00 2.41 C ATOM 226 CD PRO A 14 -2.236 -4.498 -10.146 1.00 1.78 C ATOM 227 HA PRO A 14 -2.367 -7.678 -9.897 1.00 1.14 H ATOM 228 HB2 PRO A 14 -4.030 -6.741 -11.861 1.00 2.05 H ATOM 229 HB3 PRO A 14 -4.289 -6.415 -10.122 1.00 2.38 H ATOM 230 HG2 PRO A 14 -2.973 -4.608 -12.169 1.00 2.65 H ATOM 231 HG3 PRO A 14 -4.233 -4.192 -10.962 1.00 3.17 H ATOM 232 HD2 PRO A 14 -1.567 -3.733 -10.541 1.00 2.09 H ATOM 233 HD3 PRO A 14 -2.678 -4.173 -9.208 1.00 2.10 H ATOM 234 N ARG A 15 -0.468 -8.227 -11.573 1.00 1.46 N ATOM 235 CA ARG A 15 0.391 -8.810 -12.596 1.00 2.30 C ATOM 236 C ARG A 15 0.759 -10.232 -12.175 1.00 3.58 C ATOM 237 O ARG A 15 1.924 -10.542 -11.942 1.00 4.75 O ATOM 238 CB ARG A 15 1.643 -7.935 -12.795 1.00 3.39 C ATOM 239 CG ARG A 15 1.425 -6.854 -13.860 1.00 4.22 C ATOM 240 CD ARG A 15 2.695 -6.025 -14.081 1.00 5.85 C ATOM 241 NE ARG A 15 3.819 -6.846 -14.564 1.00 6.54 N ATOM 242 CZ ARG A 15 5.022 -6.373 -14.914 1.00 8.04 C ATOM 243 NH1 ARG A 15 5.264 -5.063 -14.859 1.00 9.00 N ATOM 244 NH2 ARG A 15 5.979 -7.210 -15.319 1.00 8.88 N ATOM 245 H ARG A 15 -0.268 -8.449 -10.604 1.00 2.04 H ATOM 246 HA ARG A 15 -0.157 -8.870 -13.538 1.00 2.25 H ATOM 247 HB2 ARG A 15 1.924 -7.470 -11.848 1.00 4.08 H ATOM 248 HB3 ARG A 15 2.472 -8.557 -13.126 1.00 3.76 H ATOM 249 HG2 ARG A 15 1.137 -7.327 -14.801 1.00 4.10 H ATOM 250 HG3 ARG A 15 0.626 -6.183 -13.546 1.00 4.43 H ATOM 251 HD2 ARG A 15 2.474 -5.253 -14.818 1.00 6.62 H ATOM 252 HD3 ARG A 15 2.972 -5.550 -13.139 1.00 6.20 H ATOM 253 HE ARG A 15 3.645 -7.839 -14.615 1.00 6.10 H ATOM 254 HH11 ARG A 15 4.538 -4.438 -14.544 1.00 8.72 H ATOM 255 HH12 ARG A 15 6.153 -4.665 -15.119 1.00 10.18 H ATOM 256 HH21 ARG A 15 5.817 -8.206 -15.355 1.00 8.58 H ATOM 257 HH22 ARG A 15 6.892 -6.878 -15.590 1.00 10.03 H ATOM 258 N THR A 16 -0.233 -11.112 -12.087 1.00 4.12 N ATOM 259 CA THR A 16 -0.002 -12.530 -11.870 1.00 5.80 C ATOM 260 C THR A 16 -1.222 -13.268 -12.419 1.00 6.30 C ATOM 261 O THR A 16 -2.316 -12.700 -12.412 1.00 6.13 O ATOM 262 CB THR A 16 0.236 -12.795 -10.370 1.00 7.20 C ATOM 263 OG1 THR A 16 0.621 -14.126 -10.109 1.00 8.68 O ATOM 264 CG2 THR A 16 -0.989 -12.498 -9.514 1.00 6.73 C ATOM 265 H THR A 16 -1.193 -10.849 -12.266 1.00 3.85 H ATOM 266 HA THR A 16 0.890 -12.825 -12.422 1.00 6.21 H ATOM 267 HB THR A 16 1.050 -12.150 -10.037 1.00 8.02 H ATOM 268 HG1 THR A 16 -0.157 -14.702 -10.210 1.00 9.05 H ATOM 269 HG21 THR A 16 -1.792 -13.182 -9.790 1.00 6.69 H ATOM 270 HG22 THR A 16 -0.736 -12.652 -8.466 1.00 7.52 H ATOM 271 HG23 THR A 16 -1.311 -11.468 -9.662 1.00 6.23 H ATOM 272 N PRO A 17 -1.051 -14.502 -12.906 1.00 7.43 N ATOM 273 CA PRO A 17 -2.139 -15.447 -13.033 1.00 8.60 C ATOM 274 C PRO A 17 -2.509 -15.962 -11.639 1.00 10.04 C ATOM 275 O PRO A 17 -3.558 -16.632 -11.548 1.00 10.69 O ATOM 276 CB PRO A 17 -1.577 -16.564 -13.912 1.00 9.36 C ATOM 277 CG PRO A 17 -0.099 -16.602 -13.522 1.00 9.63 C ATOM 278 CD PRO A 17 0.221 -15.167 -13.094 1.00 8.27 C ATOM 279 OXT PRO A 17 -1.725 -15.694 -10.697 1.00 10.88 O ATOM 280 HA PRO A 17 -3.013 -14.990 -13.498 1.00 8.35 H ATOM 281 HB2 PRO A 17 -2.071 -17.520 -13.728 1.00 10.55 H ATOM 282 HB3 PRO A 17 -1.671 -16.280 -14.961 1.00 8.85 H ATOM 283 HG2 PRO A 17 0.040 -17.274 -12.674 1.00 10.77 H ATOM 284 HG3 PRO A 17 0.524 -16.915 -14.362 1.00 9.97 H ATOM 285 HD2 PRO A 17 0.776 -15.177 -12.159 1.00 8.88 H ATOM 286 HD3 PRO A 17 0.790 -14.656 -13.871 1.00 7.75 H TER 287 PRO A 17 ENDMDL MODEL 6 ATOM 1 N GLU A 1 -10.319 7.111 7.631 1.00 1.82 N ATOM 2 CA GLU A 1 -9.446 7.163 6.447 1.00 1.63 C ATOM 3 C GLU A 1 -8.058 6.895 6.962 1.00 1.51 C ATOM 4 O GLU A 1 -7.681 7.565 7.911 1.00 2.19 O ATOM 5 CB GLU A 1 -9.500 8.542 5.793 1.00 1.79 C ATOM 6 CG GLU A 1 -10.738 8.620 4.906 1.00 2.12 C ATOM 7 CD GLU A 1 -10.895 10.029 4.347 1.00 2.98 C ATOM 8 OE1 GLU A 1 -11.559 10.828 5.040 1.00 3.40 O ATOM 9 OE2 GLU A 1 -10.326 10.278 3.263 1.00 4.25 O ATOM 10 H1 GLU A 1 -9.788 7.512 8.400 1.00 1.88 H ATOM 11 H2 GLU A 1 -11.166 7.636 7.469 1.00 1.93 H ATOM 12 H3 GLU A 1 -10.530 6.152 7.860 1.00 1.86 H ATOM 13 HA GLU A 1 -9.723 6.401 5.720 1.00 1.61 H ATOM 14 HB2 GLU A 1 -9.541 9.311 6.567 1.00 1.99 H ATOM 15 HB3 GLU A 1 -8.610 8.696 5.181 1.00 1.98 H ATOM 16 HG2 GLU A 1 -10.635 7.903 4.090 1.00 2.62 H ATOM 17 HG3 GLU A 1 -11.622 8.357 5.489 1.00 2.17 H ATOM 18 N ASN A 2 -7.364 5.886 6.439 1.00 1.03 N ATOM 19 CA ASN A 2 -6.157 5.359 7.064 1.00 0.76 C ATOM 20 C ASN A 2 -5.094 6.454 7.173 1.00 0.49 C ATOM 21 O ASN A 2 -4.427 6.717 6.174 1.00 0.44 O ATOM 22 CB ASN A 2 -5.616 4.189 6.222 1.00 0.90 C ATOM 23 CG ASN A 2 -6.605 3.037 6.119 1.00 1.63 C ATOM 24 OD1 ASN A 2 -7.448 2.859 6.988 1.00 2.40 O ATOM 25 ND2 ASN A 2 -6.554 2.268 5.040 1.00 1.93 N ATOM 26 H ASN A 2 -7.736 5.378 5.651 1.00 1.33 H ATOM 27 HA ASN A 2 -6.408 4.983 8.056 1.00 0.84 H ATOM 28 HB2 ASN A 2 -5.376 4.549 5.220 1.00 1.33 H ATOM 29 HB3 ASN A 2 -4.704 3.816 6.683 1.00 1.16 H ATOM 30 HD21 ASN A 2 -5.879 2.417 4.307 1.00 1.87 H ATOM 31 HD22 ASN A 2 -7.229 1.520 4.979 1.00 2.55 H ATOM 32 N PRO A 3 -4.839 7.050 8.352 1.00 0.43 N ATOM 33 CA PRO A 3 -3.952 8.208 8.463 1.00 0.33 C ATOM 34 C PRO A 3 -2.464 7.868 8.318 1.00 0.37 C ATOM 35 O PRO A 3 -1.601 8.710 8.539 1.00 0.85 O ATOM 36 CB PRO A 3 -4.271 8.814 9.831 1.00 0.52 C ATOM 37 CG PRO A 3 -4.655 7.590 10.661 1.00 0.69 C ATOM 38 CD PRO A 3 -5.434 6.749 9.650 1.00 0.65 C ATOM 39 HA PRO A 3 -4.192 8.913 7.676 1.00 0.34 H ATOM 40 HB2 PRO A 3 -3.429 9.355 10.263 1.00 0.59 H ATOM 41 HB3 PRO A 3 -5.137 9.474 9.738 1.00 0.57 H ATOM 42 HG2 PRO A 3 -3.758 7.059 10.978 1.00 0.74 H ATOM 43 HG3 PRO A 3 -5.270 7.860 11.519 1.00 0.86 H ATOM 44 HD2 PRO A 3 -5.389 5.689 9.885 1.00 0.79 H ATOM 45 HD3 PRO A 3 -6.469 7.065 9.694 1.00 0.74 H ATOM 46 N VAL A 4 -2.169 6.633 7.930 1.00 0.21 N ATOM 47 CA VAL A 4 -0.836 6.081 7.777 1.00 0.15 C ATOM 48 C VAL A 4 -0.627 5.437 6.405 1.00 0.18 C ATOM 49 O VAL A 4 0.495 5.088 6.044 1.00 0.29 O ATOM 50 CB VAL A 4 -0.610 5.062 8.896 1.00 0.27 C ATOM 51 CG1 VAL A 4 -0.694 5.749 10.263 1.00 1.08 C ATOM 52 CG2 VAL A 4 -1.599 3.886 8.883 1.00 0.87 C ATOM 53 H VAL A 4 -2.949 6.011 7.857 1.00 0.62 H ATOM 54 HA VAL A 4 -0.101 6.881 7.880 1.00 0.23 H ATOM 55 HB VAL A 4 0.384 4.661 8.746 1.00 0.79 H ATOM 56 HG11 VAL A 4 -1.722 6.038 10.474 1.00 1.74 H ATOM 57 HG12 VAL A 4 -0.352 5.067 11.042 1.00 1.86 H ATOM 58 HG13 VAL A 4 -0.066 6.641 10.270 1.00 1.95 H ATOM 59 HG21 VAL A 4 -1.533 3.343 9.828 1.00 1.84 H ATOM 60 HG22 VAL A 4 -2.626 4.223 8.754 1.00 1.71 H ATOM 61 HG23 VAL A 4 -1.342 3.191 8.092 1.00 1.72 H ATOM 62 N VAL A 5 -1.712 5.209 5.656 1.00 0.16 N ATOM 63 CA VAL A 5 -1.719 4.620 4.315 1.00 0.19 C ATOM 64 C VAL A 5 -1.056 3.249 4.238 1.00 0.15 C ATOM 65 O VAL A 5 -0.895 2.673 3.163 1.00 0.16 O ATOM 66 CB VAL A 5 -1.218 5.696 3.326 1.00 0.26 C ATOM 67 CG1 VAL A 5 -0.720 5.178 1.976 1.00 0.31 C ATOM 68 CG2 VAL A 5 -2.366 6.680 3.076 1.00 0.39 C ATOM 69 H VAL A 5 -2.581 5.576 5.997 1.00 0.23 H ATOM 70 HA VAL A 5 -2.738 4.367 4.068 1.00 0.23 H ATOM 71 HB VAL A 5 -0.395 6.244 3.783 1.00 0.30 H ATOM 72 HG11 VAL A 5 0.197 4.610 2.132 1.00 1.43 H ATOM 73 HG12 VAL A 5 -1.477 4.544 1.514 1.00 1.23 H ATOM 74 HG13 VAL A 5 -0.495 6.015 1.315 1.00 1.43 H ATOM 75 HG21 VAL A 5 -3.196 6.168 2.589 1.00 1.67 H ATOM 76 HG22 VAL A 5 -2.710 7.103 4.021 1.00 1.68 H ATOM 77 HG23 VAL A 5 -2.024 7.493 2.436 1.00 1.70 H ATOM 78 N HIS A 6 -0.735 2.664 5.386 1.00 0.17 N ATOM 79 CA HIS A 6 0.114 1.507 5.479 1.00 0.20 C ATOM 80 C HIS A 6 1.314 1.642 4.547 1.00 0.18 C ATOM 81 O HIS A 6 1.723 0.655 3.941 1.00 0.23 O ATOM 82 CB HIS A 6 -0.726 0.265 5.172 1.00 0.25 C ATOM 83 CG HIS A 6 -1.848 -0.005 6.139 1.00 0.37 C ATOM 84 ND1 HIS A 6 -3.035 -0.644 5.852 1.00 0.55 N ATOM 85 CD2 HIS A 6 -1.849 0.292 7.473 1.00 0.43 C ATOM 86 CE1 HIS A 6 -3.735 -0.720 6.999 1.00 0.66 C ATOM 87 NE2 HIS A 6 -3.055 -0.156 8.009 1.00 0.58 N ATOM 88 H HIS A 6 -0.943 3.130 6.245 1.00 0.19 H ATOM 89 HA HIS A 6 0.500 1.458 6.489 1.00 0.25 H ATOM 90 HB2 HIS A 6 -1.133 0.342 4.169 1.00 0.24 H ATOM 91 HB3 HIS A 6 -0.063 -0.580 5.178 1.00 0.27 H ATOM 92 HD1 HIS A 6 -3.323 -1.009 4.956 1.00 0.63 H ATOM 93 HD2 HIS A 6 -1.046 0.773 8.005 1.00 0.45 H ATOM 94 HE1 HIS A 6 -4.708 -1.180 7.101 1.00 0.83 H ATOM 95 N PHE A 7 1.848 2.862 4.402 1.00 0.19 N ATOM 96 CA PHE A 7 2.944 3.221 3.511 1.00 0.21 C ATOM 97 C PHE A 7 2.788 2.807 2.041 1.00 0.18 C ATOM 98 O PHE A 7 3.724 2.970 1.266 1.00 0.24 O ATOM 99 CB PHE A 7 4.231 2.671 4.110 1.00 0.25 C ATOM 100 CG PHE A 7 5.106 3.754 4.684 1.00 0.35 C ATOM 101 CD1 PHE A 7 5.900 4.524 3.819 1.00 1.80 C ATOM 102 CD2 PHE A 7 5.084 4.027 6.062 1.00 1.88 C ATOM 103 CE1 PHE A 7 6.712 5.547 4.339 1.00 1.82 C ATOM 104 CE2 PHE A 7 5.910 5.037 6.585 1.00 1.92 C ATOM 105 CZ PHE A 7 6.728 5.794 5.724 1.00 0.57 C ATOM 106 H PHE A 7 1.486 3.623 4.961 1.00 0.23 H ATOM 107 HA PHE A 7 3.013 4.310 3.508 1.00 0.25 H ATOM 108 HB2 PHE A 7 3.998 1.933 4.876 1.00 0.30 H ATOM 109 HB3 PHE A 7 4.777 2.146 3.334 1.00 0.23 H ATOM 110 HD1 PHE A 7 5.868 4.326 2.756 1.00 3.15 H ATOM 111 HD2 PHE A 7 4.419 3.466 6.705 1.00 3.23 H ATOM 112 HE1 PHE A 7 7.322 6.143 3.675 1.00 3.17 H ATOM 113 HE2 PHE A 7 5.914 5.240 7.647 1.00 3.28 H ATOM 114 HZ PHE A 7 7.358 6.575 6.125 1.00 0.67 H ATOM 115 N PHE A 8 1.623 2.286 1.661 1.00 0.16 N ATOM 116 CA PHE A 8 1.311 1.699 0.370 1.00 0.19 C ATOM 117 C PHE A 8 2.465 0.834 -0.144 1.00 0.18 C ATOM 118 O PHE A 8 3.111 1.156 -1.136 1.00 0.23 O ATOM 119 CB PHE A 8 0.886 2.789 -0.619 1.00 0.27 C ATOM 120 CG PHE A 8 0.226 2.238 -1.867 1.00 0.39 C ATOM 121 CD1 PHE A 8 -1.130 1.857 -1.830 1.00 1.73 C ATOM 122 CD2 PHE A 8 0.959 2.085 -3.057 1.00 1.83 C ATOM 123 CE1 PHE A 8 -1.748 1.334 -2.979 1.00 1.75 C ATOM 124 CE2 PHE A 8 0.341 1.560 -4.206 1.00 1.91 C ATOM 125 CZ PHE A 8 -1.013 1.187 -4.169 1.00 0.71 C ATOM 126 H PHE A 8 0.932 2.201 2.385 1.00 0.16 H ATOM 127 HA PHE A 8 0.450 1.047 0.516 1.00 0.21 H ATOM 128 HB2 PHE A 8 0.173 3.451 -0.127 1.00 0.28 H ATOM 129 HB3 PHE A 8 1.754 3.392 -0.894 1.00 0.31 H ATOM 130 HD1 PHE A 8 -1.698 1.973 -0.919 1.00 3.04 H ATOM 131 HD2 PHE A 8 2.005 2.360 -3.094 1.00 3.12 H ATOM 132 HE1 PHE A 8 -2.791 1.053 -2.951 1.00 3.03 H ATOM 133 HE2 PHE A 8 0.917 1.448 -5.113 1.00 3.22 H ATOM 134 HZ PHE A 8 -1.488 0.794 -5.056 1.00 0.85 H ATOM 135 N LYS A 9 2.713 -0.312 0.501 1.00 0.12 N ATOM 136 CA LYS A 9 3.755 -1.223 0.019 1.00 0.13 C ATOM 137 C LYS A 9 3.252 -2.077 -1.157 1.00 0.14 C ATOM 138 O LYS A 9 3.372 -3.295 -1.094 1.00 0.19 O ATOM 139 CB LYS A 9 4.270 -2.145 1.141 1.00 0.15 C ATOM 140 CG LYS A 9 5.159 -1.477 2.196 1.00 0.20 C ATOM 141 CD LYS A 9 4.422 -0.798 3.349 1.00 0.30 C ATOM 142 CE LYS A 9 3.743 -1.780 4.321 1.00 0.40 C ATOM 143 NZ LYS A 9 2.351 -2.123 3.962 1.00 1.37 N ATOM 144 H LYS A 9 2.147 -0.544 1.305 1.00 0.11 H ATOM 145 HA LYS A 9 4.596 -0.633 -0.353 1.00 0.15 H ATOM 146 HB2 LYS A 9 3.443 -2.678 1.599 1.00 0.25 H ATOM 147 HB3 LYS A 9 4.898 -2.898 0.676 1.00 0.25 H ATOM 148 HG2 LYS A 9 5.815 -2.236 2.623 1.00 0.25 H ATOM 149 HG3 LYS A 9 5.791 -0.739 1.699 1.00 0.28 H ATOM 150 HD2 LYS A 9 5.170 -0.250 3.924 1.00 0.38 H ATOM 151 HD3 LYS A 9 3.723 -0.071 2.950 1.00 0.30 H ATOM 152 HE2 LYS A 9 4.344 -2.689 4.389 1.00 0.87 H ATOM 153 HE3 LYS A 9 3.727 -1.309 5.305 1.00 1.16 H ATOM 154 HZ1 LYS A 9 1.815 -1.273 3.850 1.00 1.98 H ATOM 155 HZ2 LYS A 9 2.314 -2.662 3.112 1.00 2.43 H ATOM 156 HZ3 LYS A 9 1.931 -2.665 4.705 1.00 1.78 H ATOM 157 N ASN A 10 2.677 -1.476 -2.206 1.00 0.15 N ATOM 158 CA ASN A 10 2.174 -2.114 -3.411 1.00 0.17 C ATOM 159 C ASN A 10 1.578 -3.478 -3.124 1.00 0.17 C ATOM 160 O ASN A 10 1.911 -4.473 -3.755 1.00 0.21 O ATOM 161 CB ASN A 10 3.257 -2.166 -4.475 1.00 0.22 C ATOM 162 CG ASN A 10 3.550 -0.788 -5.004 1.00 0.51 C ATOM 163 OD1 ASN A 10 3.182 0.228 -4.431 1.00 1.23 O ATOM 164 ND2 ASN A 10 4.223 -0.745 -6.128 1.00 0.37 N ATOM 165 H ASN A 10 2.625 -0.473 -2.274 1.00 0.19 H ATOM 166 HA ASN A 10 1.389 -1.483 -3.826 1.00 0.20 H ATOM 167 HB2 ASN A 10 4.179 -2.576 -4.080 1.00 0.33 H ATOM 168 HB3 ASN A 10 2.903 -2.779 -5.301 1.00 0.38 H ATOM 169 HD21 ASN A 10 4.512 -1.581 -6.603 1.00 0.78 H ATOM 170 HD22 ASN A 10 4.472 0.172 -6.419 1.00 0.54 H ATOM 171 N ILE A 11 0.617 -3.496 -2.211 1.00 0.15 N ATOM 172 CA ILE A 11 -0.096 -4.700 -1.815 1.00 0.18 C ATOM 173 C ILE A 11 -1.279 -4.918 -2.767 1.00 0.21 C ATOM 174 O ILE A 11 -2.358 -5.330 -2.354 1.00 0.31 O ATOM 175 CB ILE A 11 -0.482 -4.655 -0.323 1.00 0.21 C ATOM 176 CG1 ILE A 11 -1.044 -3.287 0.089 1.00 0.22 C ATOM 177 CG2 ILE A 11 0.718 -5.055 0.549 1.00 0.23 C ATOM 178 CD1 ILE A 11 0.010 -2.297 0.618 1.00 0.20 C ATOM 179 H ILE A 11 0.359 -2.610 -1.817 1.00 0.15 H ATOM 180 HA ILE A 11 0.577 -5.537 -1.923 1.00 0.20 H ATOM 181 HB ILE A 11 -1.255 -5.405 -0.148 1.00 0.26 H ATOM 182 HG12 ILE A 11 -1.555 -2.856 -0.770 1.00 0.23 H ATOM 183 HG13 ILE A 11 -1.783 -3.445 0.872 1.00 0.29 H ATOM 184 HG21 ILE A 11 0.442 -5.007 1.602 1.00 1.46 H ATOM 185 HG22 ILE A 11 1.012 -6.079 0.316 1.00 1.50 H ATOM 186 HG23 ILE A 11 1.571 -4.403 0.360 1.00 1.54 H ATOM 187 HD11 ILE A 11 -0.432 -1.306 0.696 1.00 1.20 H ATOM 188 HD12 ILE A 11 0.356 -2.608 1.604 1.00 1.21 H ATOM 189 HD13 ILE A 11 0.874 -2.250 -0.041 1.00 1.22 H ATOM 190 N VAL A 12 -1.074 -4.627 -4.055 1.00 0.25 N ATOM 191 CA VAL A 12 -2.060 -4.854 -5.101 1.00 0.25 C ATOM 192 C VAL A 12 -1.363 -5.350 -6.372 1.00 0.25 C ATOM 193 O VAL A 12 -1.420 -6.543 -6.645 1.00 0.32 O ATOM 194 CB VAL A 12 -2.980 -3.623 -5.252 1.00 0.32 C ATOM 195 CG1 VAL A 12 -2.276 -2.272 -5.031 1.00 0.42 C ATOM 196 CG2 VAL A 12 -3.718 -3.597 -6.594 1.00 0.36 C ATOM 197 H VAL A 12 -0.167 -4.270 -4.319 1.00 0.31 H ATOM 198 HA VAL A 12 -2.693 -5.679 -4.775 1.00 0.28 H ATOM 199 HB VAL A 12 -3.735 -3.707 -4.471 1.00 0.39 H ATOM 200 HG11 VAL A 12 -1.427 -2.148 -5.697 1.00 1.43 H ATOM 201 HG12 VAL A 12 -2.985 -1.466 -5.216 1.00 1.68 H ATOM 202 HG13 VAL A 12 -1.942 -2.192 -3.996 1.00 1.68 H ATOM 203 HG21 VAL A 12 -4.558 -2.904 -6.534 1.00 1.72 H ATOM 204 HG22 VAL A 12 -3.054 -3.261 -7.387 1.00 1.46 H ATOM 205 HG23 VAL A 12 -4.103 -4.591 -6.828 1.00 1.67 H ATOM 206 N THR A 13 -0.684 -4.468 -7.116 1.00 0.43 N ATOM 207 CA THR A 13 0.168 -4.770 -8.269 1.00 0.47 C ATOM 208 C THR A 13 -0.295 -5.983 -9.096 1.00 0.39 C ATOM 209 O THR A 13 0.320 -7.047 -9.028 1.00 1.32 O ATOM 210 CB THR A 13 1.634 -4.859 -7.797 1.00 0.92 C ATOM 211 OG1 THR A 13 2.491 -5.176 -8.864 1.00 2.04 O ATOM 212 CG2 THR A 13 1.909 -5.855 -6.668 1.00 0.49 C ATOM 213 H THR A 13 -0.694 -3.505 -6.827 1.00 0.63 H ATOM 214 HA THR A 13 0.127 -3.910 -8.935 1.00 0.60 H ATOM 215 HB THR A 13 1.913 -3.869 -7.434 1.00 1.76 H ATOM 216 HG1 THR A 13 2.422 -6.126 -9.013 1.00 1.99 H ATOM 217 HG21 THR A 13 1.303 -5.614 -5.801 1.00 1.67 H ATOM 218 HG22 THR A 13 1.685 -6.874 -6.978 1.00 1.82 H ATOM 219 HG23 THR A 13 2.959 -5.787 -6.384 1.00 1.47 H ATOM 220 N PRO A 14 -1.336 -5.831 -9.934 1.00 0.61 N ATOM 221 CA PRO A 14 -1.938 -6.930 -10.676 1.00 0.75 C ATOM 222 C PRO A 14 -1.108 -7.270 -11.918 1.00 0.82 C ATOM 223 O PRO A 14 -1.516 -7.010 -13.045 1.00 1.69 O ATOM 224 CB PRO A 14 -3.336 -6.423 -11.040 1.00 1.78 C ATOM 225 CG PRO A 14 -3.106 -4.926 -11.246 1.00 2.28 C ATOM 226 CD PRO A 14 -2.067 -4.599 -10.173 1.00 1.67 C ATOM 227 HA PRO A 14 -2.026 -7.817 -10.047 1.00 1.19 H ATOM 228 HB2 PRO A 14 -3.744 -6.906 -11.927 1.00 1.95 H ATOM 229 HB3 PRO A 14 -4.003 -6.571 -10.190 1.00 2.30 H ATOM 230 HG2 PRO A 14 -2.685 -4.747 -12.237 1.00 2.49 H ATOM 231 HG3 PRO A 14 -4.023 -4.352 -11.111 1.00 3.04 H ATOM 232 HD2 PRO A 14 -1.405 -3.807 -10.525 1.00 1.98 H ATOM 233 HD3 PRO A 14 -2.573 -4.297 -9.259 1.00 2.04 H ATOM 234 N ARG A 15 0.083 -7.839 -11.716 1.00 1.84 N ATOM 235 CA ARG A 15 1.004 -8.272 -12.761 1.00 2.75 C ATOM 236 C ARG A 15 1.592 -7.123 -13.586 1.00 4.79 C ATOM 237 O ARG A 15 2.346 -7.411 -14.507 1.00 6.09 O ATOM 238 CB ARG A 15 0.340 -9.339 -13.645 1.00 3.06 C ATOM 239 CG ARG A 15 1.358 -10.417 -14.033 1.00 4.09 C ATOM 240 CD ARG A 15 0.702 -11.497 -14.893 1.00 5.76 C ATOM 241 NE ARG A 15 0.431 -11.015 -16.254 1.00 6.85 N ATOM 242 CZ ARG A 15 -0.092 -11.764 -17.232 1.00 8.62 C ATOM 243 NH1 ARG A 15 -0.476 -13.016 -16.979 1.00 9.45 N ATOM 244 NH2 ARG A 15 -0.227 -11.264 -18.460 1.00 9.98 N ATOM 245 H ARG A 15 0.403 -7.938 -10.764 1.00 2.53 H ATOM 246 HA ARG A 15 1.849 -8.739 -12.254 1.00 3.33 H ATOM 247 HB2 ARG A 15 -0.470 -9.821 -13.095 1.00 3.53 H ATOM 248 HB3 ARG A 15 -0.078 -8.871 -14.537 1.00 3.77 H ATOM 249 HG2 ARG A 15 2.195 -9.976 -14.574 1.00 4.15 H ATOM 250 HG3 ARG A 15 1.738 -10.883 -13.123 1.00 4.61 H ATOM 251 HD2 ARG A 15 1.382 -12.350 -14.949 1.00 6.47 H ATOM 252 HD3 ARG A 15 -0.227 -11.814 -14.419 1.00 6.29 H ATOM 253 HE ARG A 15 0.708 -10.059 -16.438 1.00 6.64 H ATOM 254 HH11 ARG A 15 -0.380 -13.385 -16.044 1.00 8.94 H ATOM 255 HH12 ARG A 15 -0.871 -13.616 -17.686 1.00 10.87 H ATOM 256 HH21 ARG A 15 0.068 -10.319 -18.667 1.00 9.92 H ATOM 257 HH22 ARG A 15 -0.609 -11.808 -19.218 1.00 11.35 H ATOM 258 N THR A 16 1.295 -5.878 -13.193 1.00 5.77 N ATOM 259 CA THR A 16 1.829 -4.621 -13.693 1.00 8.11 C ATOM 260 C THR A 16 1.566 -4.407 -15.188 1.00 8.59 C ATOM 261 O THR A 16 1.175 -5.331 -15.900 1.00 7.30 O ATOM 262 CB THR A 16 3.299 -4.476 -13.252 1.00 9.58 C ATOM 263 OG1 THR A 16 4.199 -5.273 -13.983 1.00 9.99 O ATOM 264 CG2 THR A 16 3.444 -4.821 -11.764 1.00 9.52 C ATOM 265 H THR A 16 0.673 -5.767 -12.417 1.00 5.32 H ATOM 266 HA THR A 16 1.278 -3.837 -13.176 1.00 8.92 H ATOM 267 HB THR A 16 3.597 -3.443 -13.370 1.00 10.99 H ATOM 268 HG1 THR A 16 4.239 -4.926 -14.892 1.00 10.38 H ATOM 269 HG21 THR A 16 2.778 -4.185 -11.182 1.00 9.32 H ATOM 270 HG22 THR A 16 3.200 -5.868 -11.570 1.00 9.10 H ATOM 271 HG23 THR A 16 4.472 -4.638 -11.449 1.00 10.52 H ATOM 272 N PRO A 17 1.722 -3.173 -15.686 1.00 10.66 N ATOM 273 CA PRO A 17 1.973 -2.973 -17.097 1.00 11.57 C ATOM 274 C PRO A 17 3.431 -3.346 -17.389 1.00 12.41 C ATOM 275 O PRO A 17 4.139 -3.731 -16.426 1.00 12.67 O ATOM 276 CB PRO A 17 1.693 -1.490 -17.330 1.00 13.73 C ATOM 277 CG PRO A 17 2.166 -0.855 -16.024 1.00 14.61 C ATOM 278 CD PRO A 17 1.846 -1.915 -14.965 1.00 12.51 C ATOM 279 OXT PRO A 17 3.814 -3.223 -18.570 1.00 13.24 O ATOM 280 HA PRO A 17 1.312 -3.588 -17.709 1.00 10.54 H ATOM 281 HB2 PRO A 17 2.229 -1.098 -18.196 1.00 14.90 H ATOM 282 HB3 PRO A 17 0.618 -1.339 -17.442 1.00 13.62 H ATOM 283 HG2 PRO A 17 3.243 -0.695 -16.067 1.00 15.58 H ATOM 284 HG3 PRO A 17 1.648 0.083 -15.822 1.00 15.84 H ATOM 285 HD2 PRO A 17 2.647 -1.936 -14.234 1.00 12.87 H ATOM 286 HD3 PRO A 17 0.899 -1.681 -14.480 1.00 12.35 H TER 287 PRO A 17 ENDMDL MODEL 7 ATOM 1 N GLU A 1 -10.160 6.868 8.645 1.00 1.76 N ATOM 2 CA GLU A 1 -9.521 6.877 7.310 1.00 1.55 C ATOM 3 C GLU A 1 -8.055 6.719 7.615 1.00 1.46 C ATOM 4 O GLU A 1 -7.554 7.539 8.369 1.00 2.20 O ATOM 5 CB GLU A 1 -9.749 8.190 6.532 1.00 1.70 C ATOM 6 CG GLU A 1 -11.124 8.244 5.855 1.00 2.06 C ATOM 7 CD GLU A 1 -12.171 7.797 6.855 1.00 3.59 C ATOM 8 OE1 GLU A 1 -12.420 8.586 7.788 1.00 4.39 O ATOM 9 OE2 GLU A 1 -12.389 6.570 6.932 1.00 4.88 O ATOM 10 H1 GLU A 1 -9.570 7.408 9.268 1.00 1.83 H ATOM 11 H2 GLU A 1 -11.096 7.251 8.625 1.00 1.88 H ATOM 12 H3 GLU A 1 -10.214 5.919 8.980 1.00 1.82 H ATOM 13 HA GLU A 1 -9.866 6.032 6.713 1.00 1.53 H ATOM 14 HB2 GLU A 1 -9.642 9.033 7.215 1.00 1.95 H ATOM 15 HB3 GLU A 1 -8.987 8.284 5.755 1.00 1.85 H ATOM 16 HG2 GLU A 1 -11.329 9.261 5.515 1.00 2.64 H ATOM 17 HG3 GLU A 1 -11.130 7.571 4.996 1.00 2.39 H ATOM 18 N ASN A 2 -7.420 5.644 7.152 1.00 0.96 N ATOM 19 CA ASN A 2 -6.067 5.255 7.534 1.00 0.79 C ATOM 20 C ASN A 2 -5.075 6.413 7.423 1.00 0.49 C ATOM 21 O ASN A 2 -4.512 6.617 6.350 1.00 0.43 O ATOM 22 CB ASN A 2 -5.581 4.052 6.698 1.00 1.02 C ATOM 23 CG ASN A 2 -5.818 4.137 5.183 1.00 1.85 C ATOM 24 OD1 ASN A 2 -6.662 4.877 4.696 1.00 2.98 O ATOM 25 ND2 ASN A 2 -5.127 3.317 4.401 1.00 2.37 N ATOM 26 H ASN A 2 -7.862 5.084 6.435 1.00 1.23 H ATOM 27 HA ASN A 2 -6.097 4.929 8.572 1.00 0.88 H ATOM 28 HB2 ASN A 2 -4.515 3.933 6.871 1.00 2.08 H ATOM 29 HB3 ASN A 2 -6.061 3.158 7.078 1.00 1.51 H ATOM 30 HD21 ASN A 2 -4.490 2.628 4.764 1.00 2.48 H ATOM 31 HD22 ASN A 2 -5.335 3.373 3.415 1.00 3.22 H ATOM 32 N PRO A 3 -4.728 7.097 8.531 1.00 0.45 N ATOM 33 CA PRO A 3 -3.879 8.282 8.484 1.00 0.34 C ATOM 34 C PRO A 3 -2.400 7.953 8.268 1.00 0.42 C ATOM 35 O PRO A 3 -1.538 8.814 8.411 1.00 0.95 O ATOM 36 CB PRO A 3 -4.121 8.983 9.822 1.00 0.53 C ATOM 37 CG PRO A 3 -4.358 7.812 10.774 1.00 0.76 C ATOM 38 CD PRO A 3 -5.147 6.834 9.907 1.00 0.74 C ATOM 39 HA PRO A 3 -4.191 8.915 7.662 1.00 0.34 H ATOM 40 HB2 PRO A 3 -3.280 9.603 10.136 1.00 0.63 H ATOM 41 HB3 PRO A 3 -5.030 9.583 9.754 1.00 0.56 H ATOM 42 HG2 PRO A 3 -3.404 7.370 11.063 1.00 0.85 H ATOM 43 HG3 PRO A 3 -4.925 8.116 11.655 1.00 0.94 H ATOM 44 HD2 PRO A 3 -4.954 5.805 10.200 1.00 0.91 H ATOM 45 HD3 PRO A 3 -6.202 7.037 10.050 1.00 0.89 H ATOM 46 N VAL A 4 -2.107 6.706 7.912 1.00 0.21 N ATOM 47 CA VAL A 4 -0.766 6.189 7.711 1.00 0.21 C ATOM 48 C VAL A 4 -0.613 5.497 6.360 1.00 0.17 C ATOM 49 O VAL A 4 0.502 5.194 5.939 1.00 0.24 O ATOM 50 CB VAL A 4 -0.444 5.220 8.850 1.00 0.41 C ATOM 51 CG1 VAL A 4 -0.426 5.967 10.186 1.00 1.21 C ATOM 52 CG2 VAL A 4 -1.411 4.026 8.942 1.00 0.86 C ATOM 53 H VAL A 4 -2.876 6.060 7.890 1.00 0.62 H ATOM 54 HA VAL A 4 -0.050 7.012 7.741 1.00 0.33 H ATOM 55 HB VAL A 4 0.543 4.824 8.648 1.00 0.89 H ATOM 56 HG11 VAL A 4 0.228 6.836 10.114 1.00 2.34 H ATOM 57 HG12 VAL A 4 -1.431 6.299 10.445 1.00 2.03 H ATOM 58 HG13 VAL A 4 -0.054 5.310 10.972 1.00 1.82 H ATOM 59 HG21 VAL A 4 -1.443 3.653 9.965 1.00 1.86 H ATOM 60 HG22 VAL A 4 -2.422 4.292 8.643 1.00 1.64 H ATOM 61 HG23 VAL A 4 -1.053 3.220 8.309 1.00 1.70 H ATOM 62 N VAL A 5 -1.729 5.166 5.704 1.00 0.18 N ATOM 63 CA VAL A 5 -1.781 4.488 4.413 1.00 0.24 C ATOM 64 C VAL A 5 -1.058 3.149 4.382 1.00 0.22 C ATOM 65 O VAL A 5 -0.964 2.502 3.343 1.00 0.28 O ATOM 66 CB VAL A 5 -1.425 5.518 3.322 1.00 0.30 C ATOM 67 CG1 VAL A 5 -1.063 4.922 1.963 1.00 0.38 C ATOM 68 CG2 VAL A 5 -2.631 6.448 3.143 1.00 0.47 C ATOM 69 H VAL A 5 -2.601 5.513 6.060 1.00 0.22 H ATOM 70 HA VAL A 5 -2.788 4.163 4.251 1.00 0.32 H ATOM 71 HB VAL A 5 -0.577 6.114 3.656 1.00 0.31 H ATOM 72 HG11 VAL A 5 -0.956 5.713 1.223 1.00 1.46 H ATOM 73 HG12 VAL A 5 -0.108 4.406 2.054 1.00 1.56 H ATOM 74 HG13 VAL A 5 -1.836 4.223 1.642 1.00 1.90 H ATOM 75 HG21 VAL A 5 -2.406 7.207 2.395 1.00 1.42 H ATOM 76 HG22 VAL A 5 -3.499 5.874 2.820 1.00 1.75 H ATOM 77 HG23 VAL A 5 -2.864 6.945 4.084 1.00 1.40 H ATOM 78 N HIS A 6 -0.611 2.665 5.536 1.00 0.22 N ATOM 79 CA HIS A 6 0.325 1.578 5.620 1.00 0.24 C ATOM 80 C HIS A 6 1.436 1.746 4.588 1.00 0.15 C ATOM 81 O HIS A 6 1.908 0.763 4.021 1.00 0.17 O ATOM 82 CB HIS A 6 -0.438 0.263 5.466 1.00 0.35 C ATOM 83 CG HIS A 6 -1.403 -0.059 6.572 1.00 0.57 C ATOM 84 ND1 HIS A 6 -2.491 -0.896 6.474 1.00 0.82 N ATOM 85 CD2 HIS A 6 -1.304 0.344 7.873 1.00 0.66 C ATOM 86 CE1 HIS A 6 -3.034 -0.987 7.701 1.00 1.00 C ATOM 87 NE2 HIS A 6 -2.353 -0.239 8.582 1.00 0.89 N ATOM 88 H HIS A 6 -0.767 3.179 6.380 1.00 0.25 H ATOM 89 HA HIS A 6 0.795 1.625 6.595 1.00 0.30 H ATOM 90 HB2 HIS A 6 -0.976 0.258 4.522 1.00 0.35 H ATOM 91 HB3 HIS A 6 0.290 -0.524 5.430 1.00 0.35 H ATOM 92 HD1 HIS A 6 -2.807 -1.384 5.648 1.00 0.91 H ATOM 93 HD2 HIS A 6 -0.528 0.974 8.274 1.00 0.63 H ATOM 94 HE1 HIS A 6 -3.888 -1.598 7.950 1.00 1.23 H ATOM 95 N PHE A 7 1.859 2.990 4.336 1.00 0.16 N ATOM 96 CA PHE A 7 2.846 3.364 3.338 1.00 0.27 C ATOM 97 C PHE A 7 2.578 2.876 1.912 1.00 0.33 C ATOM 98 O PHE A 7 3.414 3.083 1.041 1.00 0.49 O ATOM 99 CB PHE A 7 4.210 2.901 3.830 1.00 0.38 C ATOM 100 CG PHE A 7 5.084 4.052 4.231 1.00 0.55 C ATOM 101 CD1 PHE A 7 5.651 4.848 3.228 1.00 2.12 C ATOM 102 CD2 PHE A 7 5.278 4.357 5.587 1.00 1.55 C ATOM 103 CE1 PHE A 7 6.458 5.943 3.580 1.00 2.25 C ATOM 104 CE2 PHE A 7 6.107 5.437 5.942 1.00 1.55 C ATOM 105 CZ PHE A 7 6.698 6.227 4.938 1.00 0.93 C ATOM 106 H PHE A 7 1.478 3.759 4.867 1.00 0.18 H ATOM 107 HA PHE A 7 2.854 4.455 3.285 1.00 0.33 H ATOM 108 HB2 PHE A 7 4.097 2.209 4.662 1.00 0.37 H ATOM 109 HB3 PHE A 7 4.703 2.358 3.034 1.00 0.43 H ATOM 110 HD1 PHE A 7 5.436 4.601 2.195 1.00 3.37 H ATOM 111 HD2 PHE A 7 4.770 3.765 6.335 1.00 2.85 H ATOM 112 HE1 PHE A 7 6.891 6.566 2.811 1.00 3.58 H ATOM 113 HE2 PHE A 7 6.282 5.668 6.983 1.00 2.79 H ATOM 114 HZ PHE A 7 7.326 7.064 5.210 1.00 1.08 H ATOM 115 N PHE A 8 1.431 2.242 1.678 1.00 0.27 N ATOM 116 CA PHE A 8 1.055 1.559 0.457 1.00 0.34 C ATOM 117 C PHE A 8 2.221 0.735 -0.084 1.00 0.29 C ATOM 118 O PHE A 8 2.806 1.067 -1.110 1.00 0.37 O ATOM 119 CB PHE A 8 0.506 2.570 -0.552 1.00 0.49 C ATOM 120 CG PHE A 8 -0.267 1.931 -1.682 1.00 0.65 C ATOM 121 CD1 PHE A 8 -1.617 1.583 -1.486 1.00 2.25 C ATOM 122 CD2 PHE A 8 0.345 1.699 -2.928 1.00 1.60 C ATOM 123 CE1 PHE A 8 -2.364 1.044 -2.544 1.00 2.39 C ATOM 124 CE2 PHE A 8 -0.403 1.160 -3.987 1.00 1.60 C ATOM 125 CZ PHE A 8 -1.762 0.852 -3.799 1.00 1.03 C ATOM 126 H PHE A 8 0.813 2.127 2.461 1.00 0.25 H ATOM 127 HA PHE A 8 0.245 0.877 0.709 1.00 0.35 H ATOM 128 HB2 PHE A 8 -0.170 3.249 -0.034 1.00 0.49 H ATOM 129 HB3 PHE A 8 1.323 3.173 -0.953 1.00 0.54 H ATOM 130 HD1 PHE A 8 -2.086 1.754 -0.527 1.00 3.56 H ATOM 131 HD2 PHE A 8 1.386 1.951 -3.080 1.00 2.94 H ATOM 132 HE1 PHE A 8 -3.407 0.798 -2.400 1.00 3.77 H ATOM 133 HE2 PHE A 8 0.064 1.006 -4.949 1.00 2.86 H ATOM 134 HZ PHE A 8 -2.348 0.480 -4.623 1.00 1.19 H ATOM 135 N LYS A 9 2.566 -0.367 0.591 1.00 0.18 N ATOM 136 CA LYS A 9 3.652 -1.222 0.116 1.00 0.15 C ATOM 137 C LYS A 9 3.192 -2.120 -1.050 1.00 0.15 C ATOM 138 O LYS A 9 3.285 -3.338 -0.946 1.00 0.24 O ATOM 139 CB LYS A 9 4.244 -2.070 1.255 1.00 0.18 C ATOM 140 CG LYS A 9 5.366 -1.356 2.013 1.00 0.29 C ATOM 141 CD LYS A 9 4.834 -0.484 3.138 1.00 0.52 C ATOM 142 CE LYS A 9 4.292 -1.404 4.232 1.00 0.63 C ATOM 143 NZ LYS A 9 3.936 -0.632 5.426 1.00 2.07 N ATOM 144 H LYS A 9 2.063 -0.610 1.433 1.00 0.16 H ATOM 145 HA LYS A 9 4.448 -0.567 -0.228 1.00 0.22 H ATOM 146 HB2 LYS A 9 3.459 -2.430 1.918 1.00 0.33 H ATOM 147 HB3 LYS A 9 4.720 -2.937 0.824 1.00 0.21 H ATOM 148 HG2 LYS A 9 6.029 -2.105 2.449 1.00 0.30 H ATOM 149 HG3 LYS A 9 5.956 -0.750 1.326 1.00 0.38 H ATOM 150 HD2 LYS A 9 5.658 0.111 3.533 1.00 0.67 H ATOM 151 HD3 LYS A 9 4.054 0.173 2.758 1.00 0.48 H ATOM 152 HE2 LYS A 9 3.404 -1.926 3.867 1.00 1.15 H ATOM 153 HE3 LYS A 9 5.056 -2.141 4.485 1.00 1.23 H ATOM 154 HZ1 LYS A 9 3.078 -0.143 5.226 1.00 2.12 H ATOM 155 HZ2 LYS A 9 3.797 -1.245 6.216 1.00 2.80 H ATOM 156 HZ3 LYS A 9 4.662 0.042 5.617 1.00 3.48 H ATOM 157 N ASN A 10 2.680 -1.550 -2.149 1.00 0.15 N ATOM 158 CA ASN A 10 2.240 -2.214 -3.366 1.00 0.21 C ATOM 159 C ASN A 10 1.603 -3.565 -3.091 1.00 0.18 C ATOM 160 O ASN A 10 1.928 -4.570 -3.711 1.00 0.23 O ATOM 161 CB ASN A 10 3.378 -2.282 -4.370 1.00 0.28 C ATOM 162 CG ASN A 10 3.696 -0.909 -4.897 1.00 0.57 C ATOM 163 OD1 ASN A 10 3.229 0.110 -4.402 1.00 1.22 O ATOM 164 ND2 ASN A 10 4.500 -0.872 -5.933 1.00 0.47 N ATOM 165 H ASN A 10 2.625 -0.550 -2.235 1.00 0.18 H ATOM 166 HA ASN A 10 1.488 -1.583 -3.838 1.00 0.24 H ATOM 167 HB2 ASN A 10 4.274 -2.693 -3.919 1.00 0.41 H ATOM 168 HB3 ASN A 10 3.069 -2.899 -5.209 1.00 0.38 H ATOM 169 HD21 ASN A 10 4.856 -1.714 -6.349 1.00 0.78 H ATOM 170 HD22 ASN A 10 4.759 0.043 -6.222 1.00 0.66 H ATOM 171 N ILE A 11 0.605 -3.549 -2.217 1.00 0.15 N ATOM 172 CA ILE A 11 -0.182 -4.712 -1.843 1.00 0.20 C ATOM 173 C ILE A 11 -1.315 -4.907 -2.861 1.00 0.22 C ATOM 174 O ILE A 11 -2.429 -5.281 -2.506 1.00 0.35 O ATOM 175 CB ILE A 11 -0.676 -4.603 -0.386 1.00 0.27 C ATOM 176 CG1 ILE A 11 -1.221 -3.202 -0.078 1.00 0.28 C ATOM 177 CG2 ILE A 11 0.435 -5.015 0.590 1.00 0.32 C ATOM 178 CD1 ILE A 11 -0.179 -2.225 0.490 1.00 0.22 C ATOM 179 H ILE A 11 0.372 -2.650 -1.835 1.00 0.14 H ATOM 180 HA ILE A 11 0.458 -5.581 -1.884 1.00 0.24 H ATOM 181 HB ILE A 11 -1.488 -5.317 -0.245 1.00 0.36 H ATOM 182 HG12 ILE A 11 -1.648 -2.792 -0.993 1.00 0.28 H ATOM 183 HG13 ILE A 11 -2.025 -3.300 0.648 1.00 0.37 H ATOM 184 HG21 ILE A 11 1.343 -4.440 0.416 1.00 1.36 H ATOM 185 HG22 ILE A 11 0.098 -4.871 1.617 1.00 1.60 H ATOM 186 HG23 ILE A 11 0.668 -6.071 0.449 1.00 1.46 H ATOM 187 HD11 ILE A 11 -0.555 -1.208 0.391 1.00 1.33 H ATOM 188 HD12 ILE A 11 -0.003 -2.441 1.543 1.00 1.15 H ATOM 189 HD13 ILE A 11 0.772 -2.305 -0.034 1.00 1.18 H ATOM 190 N VAL A 12 -1.034 -4.640 -4.139 1.00 0.24 N ATOM 191 CA VAL A 12 -1.977 -4.857 -5.222 1.00 0.26 C ATOM 192 C VAL A 12 -1.232 -5.347 -6.468 1.00 0.27 C ATOM 193 O VAL A 12 -1.275 -6.540 -6.732 1.00 0.38 O ATOM 194 CB VAL A 12 -2.887 -3.626 -5.399 1.00 0.29 C ATOM 195 CG1 VAL A 12 -2.189 -2.284 -5.148 1.00 0.36 C ATOM 196 CG2 VAL A 12 -3.580 -3.576 -6.765 1.00 0.34 C ATOM 197 H VAL A 12 -0.104 -4.322 -4.366 1.00 0.31 H ATOM 198 HA VAL A 12 -2.625 -5.684 -4.929 1.00 0.30 H ATOM 199 HB VAL A 12 -3.668 -3.714 -4.645 1.00 0.37 H ATOM 200 HG11 VAL A 12 -1.283 -2.180 -5.737 1.00 1.52 H ATOM 201 HG12 VAL A 12 -2.878 -1.486 -5.418 1.00 1.65 H ATOM 202 HG13 VAL A 12 -1.946 -2.184 -4.088 1.00 1.61 H ATOM 203 HG21 VAL A 12 -2.891 -3.210 -7.521 1.00 1.70 H ATOM 204 HG22 VAL A 12 -3.946 -4.568 -7.036 1.00 1.50 H ATOM 205 HG23 VAL A 12 -4.427 -2.893 -6.717 1.00 1.62 H ATOM 206 N THR A 13 -0.549 -4.458 -7.205 1.00 0.42 N ATOM 207 CA THR A 13 0.254 -4.752 -8.397 1.00 0.49 C ATOM 208 C THR A 13 -0.256 -5.964 -9.194 1.00 0.40 C ATOM 209 O THR A 13 0.338 -7.037 -9.111 1.00 1.32 O ATOM 210 CB THR A 13 1.743 -4.868 -8.011 1.00 0.93 C ATOM 211 OG1 THR A 13 2.513 -5.249 -9.130 1.00 2.10 O ATOM 212 CG2 THR A 13 2.044 -5.831 -6.858 1.00 0.49 C ATOM 213 H THR A 13 -0.562 -3.497 -6.914 1.00 0.61 H ATOM 214 HA THR A 13 0.186 -3.888 -9.055 1.00 0.61 H ATOM 215 HB THR A 13 2.079 -3.877 -7.702 1.00 1.66 H ATOM 216 HG1 THR A 13 2.318 -6.182 -9.296 1.00 2.05 H ATOM 217 HG21 THR A 13 3.116 -5.841 -6.663 1.00 1.60 H ATOM 218 HG22 THR A 13 1.533 -5.506 -5.957 1.00 1.56 H ATOM 219 HG23 THR A 13 1.720 -6.843 -7.096 1.00 1.80 H ATOM 220 N PRO A 14 -1.311 -5.809 -10.011 1.00 0.59 N ATOM 221 CA PRO A 14 -1.937 -6.913 -10.725 1.00 0.73 C ATOM 222 C PRO A 14 -1.077 -7.334 -11.919 1.00 0.83 C ATOM 223 O PRO A 14 -1.399 -7.040 -13.067 1.00 1.66 O ATOM 224 CB PRO A 14 -3.307 -6.375 -11.148 1.00 1.73 C ATOM 225 CG PRO A 14 -3.033 -4.887 -11.368 1.00 2.24 C ATOM 226 CD PRO A 14 -2.017 -4.567 -10.271 1.00 1.64 C ATOM 227 HA PRO A 14 -2.072 -7.767 -10.060 1.00 1.15 H ATOM 228 HB2 PRO A 14 -3.695 -6.862 -12.044 1.00 1.90 H ATOM 229 HB3 PRO A 14 -4.011 -6.493 -10.323 1.00 2.23 H ATOM 230 HG2 PRO A 14 -2.578 -4.734 -12.347 1.00 2.45 H ATOM 231 HG3 PRO A 14 -3.938 -4.288 -11.268 1.00 2.98 H ATOM 232 HD2 PRO A 14 -1.338 -3.784 -10.610 1.00 1.96 H ATOM 233 HD3 PRO A 14 -2.541 -4.258 -9.371 1.00 2.01 H ATOM 234 N ARG A 15 0.029 -8.019 -11.639 1.00 1.78 N ATOM 235 CA ARG A 15 1.020 -8.506 -12.581 1.00 2.69 C ATOM 236 C ARG A 15 1.591 -9.753 -11.934 1.00 4.07 C ATOM 237 O ARG A 15 2.492 -9.667 -11.104 1.00 5.25 O ATOM 238 CB ARG A 15 2.108 -7.444 -12.813 1.00 3.83 C ATOM 239 CG ARG A 15 1.748 -6.574 -14.021 1.00 4.50 C ATOM 240 CD ARG A 15 2.252 -5.136 -13.872 1.00 6.22 C ATOM 241 NE ARG A 15 3.715 -5.038 -13.964 1.00 7.25 N ATOM 242 CZ ARG A 15 4.401 -3.894 -13.837 1.00 8.90 C ATOM 243 NH1 ARG A 15 3.761 -2.765 -13.527 1.00 9.75 N ATOM 244 NH2 ARG A 15 5.720 -3.876 -14.026 1.00 10.00 N ATOM 245 H ARG A 15 0.213 -8.236 -10.667 1.00 2.36 H ATOM 246 HA ARG A 15 0.545 -8.771 -13.527 1.00 2.47 H ATOM 247 HB2 ARG A 15 2.212 -6.830 -11.917 1.00 4.55 H ATOM 248 HB3 ARG A 15 3.067 -7.926 -13.012 1.00 4.30 H ATOM 249 HG2 ARG A 15 2.152 -7.032 -14.925 1.00 4.48 H ATOM 250 HG3 ARG A 15 0.669 -6.535 -14.130 1.00 4.49 H ATOM 251 HD2 ARG A 15 1.809 -4.536 -14.669 1.00 6.94 H ATOM 252 HD3 ARG A 15 1.913 -4.745 -12.912 1.00 6.50 H ATOM 253 HE ARG A 15 4.200 -5.897 -14.176 1.00 6.97 H ATOM 254 HH11 ARG A 15 2.764 -2.785 -13.374 1.00 9.25 H ATOM 255 HH12 ARG A 15 4.238 -1.882 -13.422 1.00 11.09 H ATOM 256 HH21 ARG A 15 6.221 -4.717 -14.271 1.00 9.79 H ATOM 257 HH22 ARG A 15 6.256 -3.025 -13.942 1.00 11.26 H ATOM 258 N THR A 16 1.030 -10.898 -12.285 1.00 4.60 N ATOM 259 CA THR A 16 1.382 -12.185 -11.726 1.00 6.36 C ATOM 260 C THR A 16 1.715 -13.109 -12.891 1.00 7.11 C ATOM 261 O THR A 16 1.236 -12.871 -14.001 1.00 6.49 O ATOM 262 CB THR A 16 0.192 -12.697 -10.905 1.00 6.94 C ATOM 263 OG1 THR A 16 -1.029 -12.418 -11.561 1.00 6.59 O ATOM 264 CG2 THR A 16 0.153 -12.027 -9.530 1.00 7.02 C ATOM 265 H THR A 16 0.259 -10.930 -12.938 1.00 4.20 H ATOM 266 HA THR A 16 2.255 -12.089 -11.082 1.00 7.05 H ATOM 267 HB THR A 16 0.285 -13.769 -10.770 1.00 8.02 H ATOM 268 HG1 THR A 16 -1.240 -13.174 -12.120 1.00 7.19 H ATOM 269 HG21 THR A 16 0.107 -10.943 -9.639 1.00 6.50 H ATOM 270 HG22 THR A 16 -0.729 -12.367 -8.987 1.00 7.14 H ATOM 271 HG23 THR A 16 1.043 -12.297 -8.964 1.00 7.95 H ATOM 272 N PRO A 17 2.554 -14.126 -12.665 1.00 8.66 N ATOM 273 CA PRO A 17 2.840 -15.135 -13.666 1.00 9.68 C ATOM 274 C PRO A 17 1.627 -16.051 -13.831 1.00 10.38 C ATOM 275 O PRO A 17 1.591 -16.748 -14.866 1.00 10.98 O ATOM 276 CB PRO A 17 4.053 -15.888 -13.122 1.00 11.16 C ATOM 277 CG PRO A 17 3.831 -15.833 -11.611 1.00 11.51 C ATOM 278 CD PRO A 17 3.182 -14.464 -11.400 1.00 9.81 C ATOM 279 OXT PRO A 17 0.775 -16.056 -12.911 1.00 10.75 O ATOM 280 HA PRO A 17 3.075 -14.674 -14.625 1.00 9.14 H ATOM 281 HB2 PRO A 17 4.100 -16.913 -13.493 1.00 12.22 H ATOM 282 HB3 PRO A 17 4.962 -15.343 -13.378 1.00 11.00 H ATOM 283 HG2 PRO A 17 3.133 -16.618 -11.317 1.00 12.19 H ATOM 284 HG3 PRO A 17 4.767 -15.926 -11.062 1.00 12.35 H ATOM 285 HD2 PRO A 17 2.448 -14.520 -10.596 1.00 9.89 H ATOM 286 HD3 PRO A 17 3.948 -13.724 -11.165 1.00 9.61 H TER 287 PRO A 17 ENDMDL MODEL 8 ATOM 1 N GLU A 1 -10.180 6.838 8.387 1.00 1.73 N ATOM 2 CA GLU A 1 -9.448 6.839 7.111 1.00 1.53 C ATOM 3 C GLU A 1 -8.000 6.669 7.478 1.00 1.44 C ATOM 4 O GLU A 1 -7.553 7.431 8.319 1.00 2.17 O ATOM 5 CB GLU A 1 -9.630 8.164 6.373 1.00 1.69 C ATOM 6 CG GLU A 1 -10.959 8.147 5.628 1.00 2.04 C ATOM 7 CD GLU A 1 -11.126 9.439 4.836 1.00 2.73 C ATOM 8 OE1 GLU A 1 -11.572 10.423 5.464 1.00 3.25 O ATOM 9 OE2 GLU A 1 -10.775 9.418 3.638 1.00 3.93 O ATOM 10 H1 GLU A 1 -9.588 7.316 9.062 1.00 1.81 H ATOM 11 H2 GLU A 1 -11.066 7.311 8.287 1.00 1.82 H ATOM 12 H3 GLU A 1 -10.313 5.889 8.704 1.00 1.76 H ATOM 13 HA GLU A 1 -9.769 6.018 6.471 1.00 1.50 H ATOM 14 HB2 GLU A 1 -9.609 8.989 7.088 1.00 1.93 H ATOM 15 HB3 GLU A 1 -8.819 8.293 5.654 1.00 1.85 H ATOM 16 HG2 GLU A 1 -10.973 7.292 4.950 1.00 2.61 H ATOM 17 HG3 GLU A 1 -11.778 8.039 6.342 1.00 2.30 H ATOM 18 N ASN A 2 -7.322 5.648 6.953 1.00 0.95 N ATOM 19 CA ASN A 2 -6.025 5.213 7.461 1.00 0.79 C ATOM 20 C ASN A 2 -5.018 6.365 7.418 1.00 0.50 C ATOM 21 O ASN A 2 -4.449 6.601 6.354 1.00 0.43 O ATOM 22 CB ASN A 2 -5.514 4.042 6.602 1.00 1.01 C ATOM 23 CG ASN A 2 -6.478 2.863 6.594 1.00 1.87 C ATOM 24 OD1 ASN A 2 -7.087 2.552 7.607 1.00 2.78 O ATOM 25 ND2 ASN A 2 -6.675 2.228 5.445 1.00 2.04 N ATOM 26 H ASN A 2 -7.759 5.072 6.250 1.00 1.25 H ATOM 27 HA ASN A 2 -6.146 4.863 8.486 1.00 0.85 H ATOM 28 HB2 ASN A 2 -5.355 4.386 5.579 1.00 1.27 H ATOM 29 HB3 ASN A 2 -4.561 3.700 7.003 1.00 1.31 H ATOM 30 HD21 ASN A 2 -6.192 2.484 4.598 1.00 1.85 H ATOM 31 HD22 ASN A 2 -7.326 1.457 5.455 1.00 2.73 H ATOM 32 N PRO A 3 -4.700 7.045 8.536 1.00 0.46 N ATOM 33 CA PRO A 3 -3.881 8.257 8.496 1.00 0.33 C ATOM 34 C PRO A 3 -2.391 7.986 8.262 1.00 0.43 C ATOM 35 O PRO A 3 -1.561 8.884 8.365 1.00 1.00 O ATOM 36 CB PRO A 3 -4.141 8.946 9.836 1.00 0.52 C ATOM 37 CG PRO A 3 -4.385 7.769 10.781 1.00 0.75 C ATOM 38 CD PRO A 3 -5.156 6.788 9.898 1.00 0.74 C ATOM 39 HA PRO A 3 -4.220 8.887 7.681 1.00 0.35 H ATOM 40 HB2 PRO A 3 -3.305 9.566 10.162 1.00 0.61 H ATOM 41 HB3 PRO A 3 -5.050 9.544 9.761 1.00 0.56 H ATOM 42 HG2 PRO A 3 -3.435 7.333 11.086 1.00 0.83 H ATOM 43 HG3 PRO A 3 -4.970 8.070 11.652 1.00 0.92 H ATOM 44 HD2 PRO A 3 -4.985 5.758 10.196 1.00 0.90 H ATOM 45 HD3 PRO A 3 -6.212 7.000 10.016 1.00 0.88 H ATOM 46 N VAL A 4 -2.058 6.745 7.930 1.00 0.23 N ATOM 47 CA VAL A 4 -0.715 6.244 7.707 1.00 0.27 C ATOM 48 C VAL A 4 -0.581 5.537 6.359 1.00 0.19 C ATOM 49 O VAL A 4 0.526 5.235 5.920 1.00 0.25 O ATOM 50 CB VAL A 4 -0.367 5.287 8.849 1.00 0.50 C ATOM 51 CG1 VAL A 4 -0.422 6.024 10.191 1.00 1.23 C ATOM 52 CG2 VAL A 4 -1.278 4.049 8.924 1.00 0.88 C ATOM 53 H VAL A 4 -2.806 6.083 7.957 1.00 0.65 H ATOM 54 HA VAL A 4 -0.011 7.077 7.719 1.00 0.39 H ATOM 55 HB VAL A 4 0.641 4.942 8.665 1.00 0.98 H ATOM 56 HG11 VAL A 4 -1.454 6.265 10.445 1.00 1.71 H ATOM 57 HG12 VAL A 4 -0.002 5.394 10.976 1.00 1.94 H ATOM 58 HG13 VAL A 4 0.154 6.947 10.130 1.00 2.21 H ATOM 59 HG21 VAL A 4 -2.303 4.278 8.640 1.00 1.82 H ATOM 60 HG22 VAL A 4 -0.887 3.271 8.277 1.00 1.80 H ATOM 61 HG23 VAL A 4 -1.283 3.653 9.940 1.00 1.97 H ATOM 62 N VAL A 5 -1.708 5.196 5.726 1.00 0.19 N ATOM 63 CA VAL A 5 -1.790 4.513 4.437 1.00 0.24 C ATOM 64 C VAL A 5 -1.071 3.174 4.394 1.00 0.22 C ATOM 65 O VAL A 5 -0.975 2.529 3.354 1.00 0.27 O ATOM 66 CB VAL A 5 -1.457 5.537 3.334 1.00 0.31 C ATOM 67 CG1 VAL A 5 -1.093 4.942 1.976 1.00 0.38 C ATOM 68 CG2 VAL A 5 -2.675 6.452 3.156 1.00 0.49 C ATOM 69 H VAL A 5 -2.570 5.531 6.114 1.00 0.26 H ATOM 70 HA VAL A 5 -2.802 4.184 4.298 1.00 0.34 H ATOM 71 HB VAL A 5 -0.615 6.147 3.662 1.00 0.32 H ATOM 72 HG11 VAL A 5 -0.133 4.433 2.065 1.00 1.29 H ATOM 73 HG12 VAL A 5 -1.861 4.236 1.659 1.00 1.56 H ATOM 74 HG13 VAL A 5 -0.994 5.732 1.233 1.00 1.31 H ATOM 75 HG21 VAL A 5 -3.541 5.863 2.854 1.00 1.94 H ATOM 76 HG22 VAL A 5 -2.900 6.962 4.093 1.00 1.73 H ATOM 77 HG23 VAL A 5 -2.470 7.200 2.391 1.00 1.42 H ATOM 78 N HIS A 6 -0.627 2.687 5.548 1.00 0.21 N ATOM 79 CA HIS A 6 0.304 1.596 5.640 1.00 0.23 C ATOM 80 C HIS A 6 1.419 1.753 4.612 1.00 0.14 C ATOM 81 O HIS A 6 1.892 0.765 4.054 1.00 0.17 O ATOM 82 CB HIS A 6 -0.462 0.283 5.489 1.00 0.35 C ATOM 83 CG HIS A 6 -1.424 -0.037 6.598 1.00 0.58 C ATOM 84 ND1 HIS A 6 -2.517 -0.869 6.500 1.00 0.82 N ATOM 85 CD2 HIS A 6 -1.315 0.356 7.900 1.00 0.66 C ATOM 86 CE1 HIS A 6 -3.050 -0.968 7.729 1.00 1.00 C ATOM 87 NE2 HIS A 6 -2.359 -0.231 8.614 1.00 0.91 N ATOM 88 H HIS A 6 -0.795 3.203 6.387 1.00 0.24 H ATOM 89 HA HIS A 6 0.770 1.647 6.616 1.00 0.30 H ATOM 90 HB2 HIS A 6 -1.004 0.280 4.547 1.00 0.36 H ATOM 91 HB3 HIS A 6 0.263 -0.507 5.452 1.00 0.35 H ATOM 92 HD1 HIS A 6 -2.842 -1.344 5.671 1.00 0.90 H ATOM 93 HD2 HIS A 6 -0.535 0.980 8.302 1.00 0.64 H ATOM 94 HE1 HIS A 6 -3.905 -1.577 7.981 1.00 1.24 H ATOM 95 N PHE A 7 1.845 2.994 4.357 1.00 0.16 N ATOM 96 CA PHE A 7 2.830 3.365 3.356 1.00 0.27 C ATOM 97 C PHE A 7 2.554 2.875 1.932 1.00 0.34 C ATOM 98 O PHE A 7 3.388 3.077 1.056 1.00 0.50 O ATOM 99 CB PHE A 7 4.195 2.898 3.844 1.00 0.37 C ATOM 100 CG PHE A 7 5.068 4.045 4.258 1.00 0.53 C ATOM 101 CD1 PHE A 7 5.509 4.938 3.274 1.00 2.22 C ATOM 102 CD2 PHE A 7 5.396 4.239 5.606 1.00 1.49 C ATOM 103 CE1 PHE A 7 6.330 6.020 3.633 1.00 2.37 C ATOM 104 CE2 PHE A 7 6.236 5.309 5.967 1.00 1.43 C ATOM 105 CZ PHE A 7 6.706 6.195 4.979 1.00 0.89 C ATOM 106 H PHE A 7 1.466 3.767 4.884 1.00 0.18 H ATOM 107 HA PHE A 7 2.837 4.454 3.303 1.00 0.34 H ATOM 108 HB2 PHE A 7 4.084 2.194 4.667 1.00 0.36 H ATOM 109 HB3 PHE A 7 4.689 2.371 3.039 1.00 0.43 H ATOM 110 HD1 PHE A 7 5.182 4.766 2.254 1.00 3.49 H ATOM 111 HD2 PHE A 7 4.980 3.567 6.344 1.00 2.85 H ATOM 112 HE1 PHE A 7 6.672 6.715 2.879 1.00 3.76 H ATOM 113 HE2 PHE A 7 6.514 5.458 7.001 1.00 2.70 H ATOM 114 HZ PHE A 7 7.346 7.021 5.256 1.00 1.03 H ATOM 115 N PHE A 8 1.403 2.248 1.705 1.00 0.29 N ATOM 116 CA PHE A 8 1.012 1.562 0.493 1.00 0.38 C ATOM 117 C PHE A 8 2.170 0.740 -0.064 1.00 0.33 C ATOM 118 O PHE A 8 2.742 1.077 -1.096 1.00 0.42 O ATOM 119 CB PHE A 8 0.451 2.569 -0.510 1.00 0.54 C ATOM 120 CG PHE A 8 -0.273 1.919 -1.667 1.00 0.67 C ATOM 121 CD1 PHE A 8 -1.533 1.330 -1.449 1.00 2.21 C ATOM 122 CD2 PHE A 8 0.293 1.919 -2.953 1.00 1.47 C ATOM 123 CE1 PHE A 8 -2.246 0.781 -2.527 1.00 2.31 C ATOM 124 CE2 PHE A 8 -0.425 1.380 -4.033 1.00 1.50 C ATOM 125 CZ PHE A 8 -1.700 0.831 -3.821 1.00 1.00 C ATOM 126 H PHE A 8 0.789 2.142 2.491 1.00 0.27 H ATOM 127 HA PHE A 8 0.207 0.878 0.758 1.00 0.39 H ATOM 128 HB2 PHE A 8 -0.262 3.214 0.001 1.00 0.58 H ATOM 129 HB3 PHE A 8 1.256 3.204 -0.883 1.00 0.58 H ATOM 130 HD1 PHE A 8 -1.962 1.321 -0.458 1.00 3.47 H ATOM 131 HD2 PHE A 8 1.274 2.346 -3.114 1.00 2.73 H ATOM 132 HE1 PHE A 8 -3.221 0.347 -2.365 1.00 3.62 H ATOM 133 HE2 PHE A 8 -0.001 1.407 -5.027 1.00 2.71 H ATOM 134 HZ PHE A 8 -2.267 0.457 -4.658 1.00 1.14 H ATOM 135 N LYS A 9 2.521 -0.361 0.608 1.00 0.21 N ATOM 136 CA LYS A 9 3.617 -1.205 0.140 1.00 0.18 C ATOM 137 C LYS A 9 3.168 -2.112 -1.023 1.00 0.17 C ATOM 138 O LYS A 9 3.256 -3.329 -0.906 1.00 0.28 O ATOM 139 CB LYS A 9 4.211 -2.039 1.283 1.00 0.21 C ATOM 140 CG LYS A 9 5.328 -1.311 2.035 1.00 0.29 C ATOM 141 CD LYS A 9 4.791 -0.462 3.173 1.00 0.50 C ATOM 142 CE LYS A 9 4.216 -1.394 4.238 1.00 0.60 C ATOM 143 NZ LYS A 9 3.917 -0.645 5.462 1.00 2.07 N ATOM 144 H LYS A 9 2.018 -0.612 1.449 1.00 0.19 H ATOM 145 HA LYS A 9 4.405 -0.541 -0.204 1.00 0.27 H ATOM 146 HB2 LYS A 9 3.429 -2.403 1.947 1.00 0.35 H ATOM 147 HB3 LYS A 9 4.694 -2.904 0.858 1.00 0.25 H ATOM 148 HG2 LYS A 9 6.011 -2.050 2.456 1.00 0.32 H ATOM 149 HG3 LYS A 9 5.896 -0.684 1.347 1.00 0.36 H ATOM 150 HD2 LYS A 9 5.614 0.118 3.591 1.00 0.63 H ATOM 151 HD3 LYS A 9 4.022 0.210 2.793 1.00 0.48 H ATOM 152 HE2 LYS A 9 3.295 -1.845 3.865 1.00 1.26 H ATOM 153 HE3 LYS A 9 4.938 -2.184 4.455 1.00 1.19 H ATOM 154 HZ1 LYS A 9 3.531 -1.259 6.164 1.00 2.25 H ATOM 155 HZ2 LYS A 9 4.755 -0.196 5.797 1.00 3.39 H ATOM 156 HZ3 LYS A 9 3.237 0.057 5.218 1.00 2.63 H ATOM 157 N ASN A 10 2.673 -1.549 -2.132 1.00 0.15 N ATOM 158 CA ASN A 10 2.251 -2.214 -3.354 1.00 0.21 C ATOM 159 C ASN A 10 1.622 -3.567 -3.083 1.00 0.19 C ATOM 160 O ASN A 10 1.977 -4.578 -3.680 1.00 0.24 O ATOM 161 CB ASN A 10 3.400 -2.287 -4.346 1.00 0.30 C ATOM 162 CG ASN A 10 3.775 -0.913 -4.838 1.00 0.62 C ATOM 163 OD1 ASN A 10 3.433 0.109 -4.258 1.00 1.33 O ATOM 164 ND2 ASN A 10 4.494 -0.878 -5.935 1.00 0.47 N ATOM 165 H ASN A 10 2.629 -0.548 -2.226 1.00 0.18 H ATOM 166 HA ASN A 10 1.500 -1.585 -3.833 1.00 0.25 H ATOM 167 HB2 ASN A 10 4.281 -2.729 -3.896 1.00 0.43 H ATOM 168 HB3 ASN A 10 3.084 -2.883 -5.200 1.00 0.38 H ATOM 169 HD21 ASN A 10 4.751 -1.714 -6.429 1.00 0.77 H ATOM 170 HD22 ASN A 10 4.808 0.032 -6.184 1.00 0.69 H ATOM 171 N ILE A 11 0.600 -3.556 -2.235 1.00 0.15 N ATOM 172 CA ILE A 11 -0.176 -4.730 -1.870 1.00 0.19 C ATOM 173 C ILE A 11 -1.291 -4.939 -2.904 1.00 0.22 C ATOM 174 O ILE A 11 -2.407 -5.320 -2.566 1.00 0.35 O ATOM 175 CB ILE A 11 -0.688 -4.625 -0.419 1.00 0.28 C ATOM 176 CG1 ILE A 11 -1.243 -3.228 -0.112 1.00 0.29 C ATOM 177 CG2 ILE A 11 0.414 -5.032 0.571 1.00 0.33 C ATOM 178 CD1 ILE A 11 -0.211 -2.246 0.469 1.00 0.23 C ATOM 179 H ILE A 11 0.343 -2.657 -1.868 1.00 0.15 H ATOM 180 HA ILE A 11 0.475 -5.591 -1.902 1.00 0.23 H ATOM 181 HB ILE A 11 -1.499 -5.344 -0.289 1.00 0.37 H ATOM 182 HG12 ILE A 11 -1.665 -2.818 -1.029 1.00 0.29 H ATOM 183 HG13 ILE A 11 -2.053 -3.333 0.608 1.00 0.38 H ATOM 184 HG21 ILE A 11 0.058 -4.901 1.592 1.00 1.65 H ATOM 185 HG22 ILE A 11 0.664 -6.083 0.422 1.00 1.48 H ATOM 186 HG23 ILE A 11 1.315 -4.440 0.417 1.00 1.42 H ATOM 187 HD11 ILE A 11 -0.601 -1.233 0.394 1.00 1.33 H ATOM 188 HD12 ILE A 11 -0.024 -2.481 1.516 1.00 1.14 H ATOM 189 HD13 ILE A 11 0.738 -2.301 -0.061 1.00 1.18 H ATOM 190 N VAL A 12 -0.991 -4.670 -4.178 1.00 0.25 N ATOM 191 CA VAL A 12 -1.923 -4.875 -5.274 1.00 0.29 C ATOM 192 C VAL A 12 -1.176 -5.382 -6.511 1.00 0.30 C ATOM 193 O VAL A 12 -1.215 -6.583 -6.754 1.00 0.41 O ATOM 194 CB VAL A 12 -2.818 -3.633 -5.455 1.00 0.31 C ATOM 195 CG1 VAL A 12 -2.100 -2.304 -5.191 1.00 0.35 C ATOM 196 CG2 VAL A 12 -3.493 -3.560 -6.826 1.00 0.38 C ATOM 197 H VAL A 12 -0.061 -4.339 -4.388 1.00 0.32 H ATOM 198 HA VAL A 12 -2.586 -5.691 -4.985 1.00 0.34 H ATOM 199 HB VAL A 12 -3.610 -3.712 -4.711 1.00 0.39 H ATOM 200 HG11 VAL A 12 -2.766 -1.494 -5.483 1.00 1.46 H ATOM 201 HG12 VAL A 12 -1.880 -2.205 -4.128 1.00 1.39 H ATOM 202 HG13 VAL A 12 -1.177 -2.224 -5.761 1.00 1.41 H ATOM 203 HG21 VAL A 12 -3.835 -4.549 -7.134 1.00 1.31 H ATOM 204 HG22 VAL A 12 -4.355 -2.894 -6.771 1.00 1.23 H ATOM 205 HG23 VAL A 12 -2.800 -3.153 -7.559 1.00 1.51 H ATOM 206 N THR A 13 -0.486 -4.514 -7.267 1.00 0.42 N ATOM 207 CA THR A 13 0.322 -4.855 -8.446 1.00 0.46 C ATOM 208 C THR A 13 -0.264 -6.025 -9.257 1.00 0.39 C ATOM 209 O THR A 13 0.280 -7.132 -9.241 1.00 1.30 O ATOM 210 CB THR A 13 1.800 -5.049 -8.042 1.00 0.83 C ATOM 211 OG1 THR A 13 2.554 -5.607 -9.097 1.00 1.94 O ATOM 212 CG2 THR A 13 2.009 -5.913 -6.798 1.00 0.49 C ATOM 213 H THR A 13 -0.501 -3.543 -7.006 1.00 0.61 H ATOM 214 HA THR A 13 0.313 -3.989 -9.105 1.00 0.57 H ATOM 215 HB THR A 13 2.214 -4.063 -7.826 1.00 1.53 H ATOM 216 HG1 THR A 13 2.222 -6.506 -9.218 1.00 1.90 H ATOM 217 HG21 THR A 13 1.558 -6.896 -6.930 1.00 1.76 H ATOM 218 HG22 THR A 13 3.077 -6.024 -6.607 1.00 1.53 H ATOM 219 HG23 THR A 13 1.562 -5.429 -5.934 1.00 1.40 H ATOM 220 N PRO A 14 -1.345 -5.793 -10.016 1.00 0.59 N ATOM 221 CA PRO A 14 -2.019 -6.849 -10.744 1.00 0.70 C ATOM 222 C PRO A 14 -1.118 -7.320 -11.881 1.00 0.81 C ATOM 223 O PRO A 14 -1.008 -6.669 -12.918 1.00 1.57 O ATOM 224 CB PRO A 14 -3.332 -6.236 -11.236 1.00 1.70 C ATOM 225 CG PRO A 14 -3.002 -4.751 -11.371 1.00 2.22 C ATOM 226 CD PRO A 14 -1.980 -4.512 -10.259 1.00 1.63 C ATOM 227 HA PRO A 14 -2.236 -7.685 -10.077 1.00 1.06 H ATOM 228 HB2 PRO A 14 -3.663 -6.669 -12.181 1.00 1.82 H ATOM 229 HB3 PRO A 14 -4.097 -6.367 -10.470 1.00 2.18 H ATOM 230 HG2 PRO A 14 -2.540 -4.561 -12.341 1.00 2.45 H ATOM 231 HG3 PRO A 14 -3.888 -4.129 -11.242 1.00 2.96 H ATOM 232 HD2 PRO A 14 -1.256 -3.761 -10.577 1.00 1.93 H ATOM 233 HD3 PRO A 14 -2.497 -4.192 -9.359 1.00 1.98 H ATOM 234 N ARG A 15 -0.466 -8.463 -11.681 1.00 1.49 N ATOM 235 CA ARG A 15 0.386 -9.093 -12.671 1.00 2.31 C ATOM 236 C ARG A 15 -0.048 -10.541 -12.739 1.00 3.26 C ATOM 237 O ARG A 15 0.141 -11.287 -11.781 1.00 4.06 O ATOM 238 CB ARG A 15 1.860 -8.959 -12.268 1.00 3.19 C ATOM 239 CG ARG A 15 2.358 -7.556 -12.619 1.00 3.95 C ATOM 240 CD ARG A 15 3.736 -7.270 -12.010 1.00 5.33 C ATOM 241 NE ARG A 15 4.791 -8.143 -12.552 1.00 6.05 N ATOM 242 CZ ARG A 15 5.539 -7.892 -13.635 1.00 7.37 C ATOM 243 NH1 ARG A 15 5.298 -6.817 -14.386 1.00 8.12 N ATOM 244 NH2 ARG A 15 6.535 -8.717 -13.964 1.00 8.33 N ATOM 245 H ARG A 15 -0.544 -8.920 -10.781 1.00 1.94 H ATOM 246 HA ARG A 15 0.233 -8.626 -13.646 1.00 2.39 H ATOM 247 HB2 ARG A 15 1.965 -9.140 -11.197 1.00 3.68 H ATOM 248 HB3 ARG A 15 2.455 -9.693 -12.812 1.00 3.54 H ATOM 249 HG2 ARG A 15 2.393 -7.459 -13.704 1.00 3.96 H ATOM 250 HG3 ARG A 15 1.652 -6.823 -12.229 1.00 4.11 H ATOM 251 HD2 ARG A 15 3.994 -6.223 -12.177 1.00 6.18 H ATOM 252 HD3 ARG A 15 3.678 -7.420 -10.931 1.00 5.49 H ATOM 253 HE ARG A 15 4.972 -8.974 -12.007 1.00 5.90 H ATOM 254 HH11 ARG A 15 4.532 -6.207 -14.151 1.00 7.75 H ATOM 255 HH12 ARG A 15 5.846 -6.594 -15.203 1.00 9.28 H ATOM 256 HH21 ARG A 15 6.739 -9.534 -13.408 1.00 8.22 H ATOM 257 HH22 ARG A 15 7.117 -8.551 -14.772 1.00 9.42 H ATOM 258 N THR A 16 -0.645 -10.922 -13.857 1.00 3.80 N ATOM 259 CA THR A 16 -1.143 -12.259 -14.092 1.00 5.12 C ATOM 260 C THR A 16 -0.630 -12.684 -15.461 1.00 5.83 C ATOM 261 O THR A 16 -0.332 -11.814 -16.283 1.00 5.52 O ATOM 262 CB THR A 16 -2.673 -12.233 -14.029 1.00 5.58 C ATOM 263 OG1 THR A 16 -3.191 -11.207 -14.849 1.00 5.65 O ATOM 264 CG2 THR A 16 -3.162 -12.000 -12.597 1.00 5.34 C ATOM 265 H THR A 16 -0.804 -10.286 -14.625 1.00 3.67 H ATOM 266 HA THR A 16 -0.757 -12.940 -13.333 1.00 5.61 H ATOM 267 HB THR A 16 -3.056 -13.187 -14.376 1.00 6.57 H ATOM 268 HG1 THR A 16 -3.152 -11.515 -15.763 1.00 6.31 H ATOM 269 HG21 THR A 16 -2.863 -11.011 -12.250 1.00 4.82 H ATOM 270 HG22 THR A 16 -4.250 -12.067 -12.569 1.00 5.61 H ATOM 271 HG23 THR A 16 -2.741 -12.758 -11.936 1.00 6.07 H ATOM 272 N PRO A 17 -0.492 -13.990 -15.705 1.00 7.02 N ATOM 273 CA PRO A 17 -0.163 -14.497 -17.021 1.00 7.95 C ATOM 274 C PRO A 17 -1.368 -14.333 -17.947 1.00 8.47 C ATOM 275 O PRO A 17 -1.154 -14.485 -19.169 1.00 9.32 O ATOM 276 CB PRO A 17 0.197 -15.965 -16.790 1.00 9.08 C ATOM 277 CG PRO A 17 -0.701 -16.357 -15.617 1.00 9.19 C ATOM 278 CD PRO A 17 -0.793 -15.075 -14.788 1.00 7.82 C ATOM 279 OXT PRO A 17 -2.476 -14.075 -17.421 1.00 8.47 O ATOM 280 HA PRO A 17 0.687 -13.959 -17.441 1.00 7.72 H ATOM 281 HB2 PRO A 17 0.009 -16.577 -17.673 1.00 9.93 H ATOM 282 HB3 PRO A 17 1.243 -16.036 -16.488 1.00 9.06 H ATOM 283 HG2 PRO A 17 -1.691 -16.623 -15.990 1.00 9.69 H ATOM 284 HG3 PRO A 17 -0.273 -17.177 -15.039 1.00 9.85 H ATOM 285 HD2 PRO A 17 -1.797 -14.976 -14.374 1.00 7.84 H ATOM 286 HD3 PRO A 17 -0.052 -15.092 -13.989 1.00 7.69 H TER 287 PRO A 17 ENDMDL MODEL 9 ATOM 1 N GLU A 1 -10.242 7.298 7.923 1.00 1.75 N ATOM 2 CA GLU A 1 -9.479 7.183 6.668 1.00 1.56 C ATOM 3 C GLU A 1 -8.059 6.922 7.092 1.00 1.49 C ATOM 4 O GLU A 1 -7.580 7.683 7.919 1.00 2.22 O ATOM 5 CB GLU A 1 -9.515 8.462 5.818 1.00 1.78 C ATOM 6 CG GLU A 1 -10.912 8.764 5.264 1.00 2.03 C ATOM 7 CD GLU A 1 -11.648 9.779 6.136 1.00 2.78 C ATOM 8 OE1 GLU A 1 -11.862 9.428 7.318 1.00 3.63 O ATOM 9 OE2 GLU A 1 -11.954 10.875 5.626 1.00 3.50 O ATOM 10 H1 GLU A 1 -9.663 7.810 8.580 1.00 1.87 H ATOM 11 H2 GLU A 1 -11.116 7.779 7.780 1.00 1.85 H ATOM 12 H3 GLU A 1 -10.425 6.382 8.300 1.00 1.76 H ATOM 13 HA GLU A 1 -9.843 6.344 6.075 1.00 1.48 H ATOM 14 HB2 GLU A 1 -9.153 9.311 6.400 1.00 2.05 H ATOM 15 HB3 GLU A 1 -8.838 8.320 4.975 1.00 2.05 H ATOM 16 HG2 GLU A 1 -10.810 9.162 4.254 1.00 2.65 H ATOM 17 HG3 GLU A 1 -11.485 7.837 5.212 1.00 2.27 H ATOM 18 N ASN A 2 -7.436 5.840 6.622 1.00 0.95 N ATOM 19 CA ASN A 2 -6.176 5.338 7.162 1.00 0.74 C ATOM 20 C ASN A 2 -5.123 6.448 7.233 1.00 0.47 C ATOM 21 O ASN A 2 -4.482 6.708 6.216 1.00 0.43 O ATOM 22 CB ASN A 2 -5.657 4.200 6.262 1.00 0.88 C ATOM 23 CG ASN A 2 -6.578 2.991 6.229 1.00 1.67 C ATOM 24 OD1 ASN A 2 -7.497 2.883 7.030 1.00 2.40 O ATOM 25 ND2 ASN A 2 -6.375 2.084 5.282 1.00 2.06 N ATOM 26 H ASN A 2 -7.909 5.244 5.960 1.00 1.23 H ATOM 27 HA ASN A 2 -6.355 4.933 8.158 1.00 0.81 H ATOM 28 HB2 ASN A 2 -5.527 4.578 5.246 1.00 1.33 H ATOM 29 HB3 ASN A 2 -4.689 3.878 6.637 1.00 1.17 H ATOM 30 HD21 ASN A 2 -5.639 2.180 4.602 1.00 2.01 H ATOM 31 HD22 ASN A 2 -7.003 1.296 5.263 1.00 2.72 H ATOM 32 N PRO A 3 -4.844 7.053 8.402 1.00 0.43 N ATOM 33 CA PRO A 3 -3.967 8.220 8.481 1.00 0.33 C ATOM 34 C PRO A 3 -2.482 7.889 8.311 1.00 0.37 C ATOM 35 O PRO A 3 -1.619 8.742 8.493 1.00 0.88 O ATOM 36 CB PRO A 3 -4.269 8.847 9.844 1.00 0.51 C ATOM 37 CG PRO A 3 -4.652 7.639 10.698 1.00 0.67 C ATOM 38 CD PRO A 3 -5.423 6.765 9.710 1.00 0.64 C ATOM 39 HA PRO A 3 -4.227 8.909 7.687 1.00 0.35 H ATOM 40 HB2 PRO A 3 -3.418 9.389 10.259 1.00 0.58 H ATOM 41 HB3 PRO A 3 -5.131 9.510 9.749 1.00 0.57 H ATOM 42 HG2 PRO A 3 -3.752 7.122 11.033 1.00 0.72 H ATOM 43 HG3 PRO A 3 -5.271 7.927 11.548 1.00 0.84 H ATOM 44 HD2 PRO A 3 -5.350 5.713 9.964 1.00 0.77 H ATOM 45 HD3 PRO A 3 -6.468 7.054 9.751 1.00 0.74 H ATOM 46 N VAL A 4 -2.189 6.649 7.937 1.00 0.21 N ATOM 47 CA VAL A 4 -0.859 6.106 7.747 1.00 0.15 C ATOM 48 C VAL A 4 -0.682 5.484 6.361 1.00 0.16 C ATOM 49 O VAL A 4 0.440 5.194 5.952 1.00 0.23 O ATOM 50 CB VAL A 4 -0.601 5.077 8.850 1.00 0.26 C ATOM 51 CG1 VAL A 4 -0.701 5.745 10.225 1.00 1.07 C ATOM 52 CG2 VAL A 4 -1.557 3.872 8.819 1.00 0.87 C ATOM 53 H VAL A 4 -2.966 6.020 7.906 1.00 0.64 H ATOM 54 HA VAL A 4 -0.126 6.908 7.844 1.00 0.24 H ATOM 55 HB VAL A 4 0.403 4.704 8.696 1.00 0.80 H ATOM 56 HG11 VAL A 4 -1.736 6.004 10.444 1.00 1.74 H ATOM 57 HG12 VAL A 4 -0.337 5.062 10.994 1.00 1.84 H ATOM 58 HG13 VAL A 4 -0.095 6.652 10.240 1.00 1.95 H ATOM 59 HG21 VAL A 4 -2.567 4.162 8.538 1.00 1.95 H ATOM 60 HG22 VAL A 4 -1.184 3.129 8.123 1.00 1.76 H ATOM 61 HG23 VAL A 4 -1.594 3.404 9.803 1.00 1.88 H ATOM 62 N VAL A 5 -1.787 5.209 5.656 1.00 0.15 N ATOM 63 CA VAL A 5 -1.824 4.602 4.321 1.00 0.18 C ATOM 64 C VAL A 5 -1.081 3.269 4.244 1.00 0.15 C ATOM 65 O VAL A 5 -0.874 2.699 3.175 1.00 0.16 O ATOM 66 CB VAL A 5 -1.396 5.688 3.307 1.00 0.24 C ATOM 67 CG1 VAL A 5 -0.888 5.178 1.959 1.00 0.24 C ATOM 68 CG2 VAL A 5 -2.593 6.612 3.065 1.00 0.40 C ATOM 69 H VAL A 5 -2.656 5.536 6.037 1.00 0.21 H ATOM 70 HA VAL A 5 -2.846 4.303 4.113 1.00 0.22 H ATOM 71 HB VAL A 5 -0.591 6.281 3.741 1.00 0.30 H ATOM 72 HG11 VAL A 5 -1.611 4.491 1.521 1.00 1.49 H ATOM 73 HG12 VAL A 5 -0.721 6.015 1.283 1.00 1.56 H ATOM 74 HG13 VAL A 5 0.065 4.669 2.115 1.00 1.59 H ATOM 75 HG21 VAL A 5 -2.942 7.026 4.011 1.00 1.47 H ATOM 76 HG22 VAL A 5 -2.299 7.434 2.413 1.00 1.44 H ATOM 77 HG23 VAL A 5 -3.404 6.055 2.596 1.00 1.49 H ATOM 78 N HIS A 6 -0.735 2.710 5.397 1.00 0.16 N ATOM 79 CA HIS A 6 0.158 1.590 5.511 1.00 0.16 C ATOM 80 C HIS A 6 1.374 1.747 4.600 1.00 0.14 C ATOM 81 O HIS A 6 1.838 0.757 4.043 1.00 0.15 O ATOM 82 CB HIS A 6 -0.635 0.313 5.220 1.00 0.20 C ATOM 83 CG HIS A 6 -1.745 0.003 6.190 1.00 0.33 C ATOM 84 ND1 HIS A 6 -2.901 -0.691 5.908 1.00 0.50 N ATOM 85 CD2 HIS A 6 -1.747 0.290 7.524 1.00 0.40 C ATOM 86 CE1 HIS A 6 -3.588 -0.809 7.060 1.00 0.62 C ATOM 87 NE2 HIS A 6 -2.927 -0.219 8.069 1.00 0.55 N ATOM 88 H HIS A 6 -0.992 3.169 6.248 1.00 0.20 H ATOM 89 HA HIS A 6 0.530 1.575 6.528 1.00 0.20 H ATOM 90 HB2 HIS A 6 -1.052 0.367 4.219 1.00 0.20 H ATOM 91 HB3 HIS A 6 0.055 -0.508 5.236 1.00 0.21 H ATOM 92 HD1 HIS A 6 -3.177 -1.070 5.014 1.00 0.58 H ATOM 93 HD2 HIS A 6 -0.960 0.797 8.054 1.00 0.42 H ATOM 94 HE1 HIS A 6 -4.535 -1.319 7.168 1.00 0.78 H ATOM 95 N PHE A 7 1.875 2.979 4.421 1.00 0.16 N ATOM 96 CA PHE A 7 3.002 3.324 3.556 1.00 0.20 C ATOM 97 C PHE A 7 2.880 2.838 2.103 1.00 0.21 C ATOM 98 O PHE A 7 3.844 2.914 1.350 1.00 0.29 O ATOM 99 CB PHE A 7 4.280 2.809 4.216 1.00 0.25 C ATOM 100 CG PHE A 7 5.194 3.903 4.726 1.00 0.34 C ATOM 101 CD1 PHE A 7 4.859 4.610 5.895 1.00 1.85 C ATOM 102 CD2 PHE A 7 6.371 4.225 4.026 1.00 1.69 C ATOM 103 CE1 PHE A 7 5.705 5.627 6.369 1.00 1.88 C ATOM 104 CE2 PHE A 7 7.219 5.241 4.503 1.00 1.70 C ATOM 105 CZ PHE A 7 6.887 5.940 5.676 1.00 0.54 C ATOM 106 H PHE A 7 1.458 3.752 4.921 1.00 0.18 H ATOM 107 HA PHE A 7 3.062 4.412 3.512 1.00 0.24 H ATOM 108 HB2 PHE A 7 4.015 2.150 5.040 1.00 0.29 H ATOM 109 HB3 PHE A 7 4.810 2.192 3.500 1.00 0.26 H ATOM 110 HD1 PHE A 7 3.949 4.376 6.428 1.00 3.14 H ATOM 111 HD2 PHE A 7 6.627 3.696 3.118 1.00 3.00 H ATOM 112 HE1 PHE A 7 5.447 6.171 7.268 1.00 3.19 H ATOM 113 HE2 PHE A 7 8.124 5.485 3.966 1.00 3.00 H ATOM 114 HZ PHE A 7 7.538 6.721 6.042 1.00 0.63 H ATOM 115 N PHE A 8 1.702 2.352 1.719 1.00 0.18 N ATOM 116 CA PHE A 8 1.358 1.747 0.441 1.00 0.21 C ATOM 117 C PHE A 8 2.487 0.862 -0.096 1.00 0.18 C ATOM 118 O PHE A 8 3.135 1.186 -1.086 1.00 0.24 O ATOM 119 CB PHE A 8 0.912 2.833 -0.548 1.00 0.28 C ATOM 120 CG PHE A 8 0.039 2.310 -1.672 1.00 0.43 C ATOM 121 CD1 PHE A 8 0.618 1.809 -2.852 1.00 1.58 C ATOM 122 CD2 PHE A 8 -1.361 2.328 -1.539 1.00 2.02 C ATOM 123 CE1 PHE A 8 -0.195 1.329 -3.892 1.00 1.54 C ATOM 124 CE2 PHE A 8 -2.177 1.861 -2.584 1.00 2.20 C ATOM 125 CZ PHE A 8 -1.594 1.360 -3.761 1.00 0.90 C ATOM 126 H PHE A 8 1.002 2.333 2.440 1.00 0.18 H ATOM 127 HA PHE A 8 0.493 1.108 0.619 1.00 0.21 H ATOM 128 HB2 PHE A 8 0.338 3.584 -0.006 1.00 0.38 H ATOM 129 HB3 PHE A 8 1.785 3.340 -0.960 1.00 0.32 H ATOM 130 HD1 PHE A 8 1.692 1.804 -2.966 1.00 2.91 H ATOM 131 HD2 PHE A 8 -1.814 2.714 -0.637 1.00 3.28 H ATOM 132 HE1 PHE A 8 0.261 0.957 -4.798 1.00 2.77 H ATOM 133 HE2 PHE A 8 -3.253 1.896 -2.486 1.00 3.56 H ATOM 134 HZ PHE A 8 -2.223 1.010 -4.569 1.00 1.10 H ATOM 135 N LYS A 9 2.710 -0.305 0.519 1.00 0.12 N ATOM 136 CA LYS A 9 3.732 -1.234 0.027 1.00 0.12 C ATOM 137 C LYS A 9 3.224 -2.057 -1.163 1.00 0.14 C ATOM 138 O LYS A 9 3.389 -3.272 -1.157 1.00 0.21 O ATOM 139 CB LYS A 9 4.221 -2.185 1.139 1.00 0.14 C ATOM 140 CG LYS A 9 5.147 -1.538 2.176 1.00 0.20 C ATOM 141 CD LYS A 9 4.440 -0.826 3.329 1.00 0.29 C ATOM 142 CE LYS A 9 3.739 -1.791 4.301 1.00 0.40 C ATOM 143 NZ LYS A 9 2.320 -2.049 3.976 1.00 1.35 N ATOM 144 H LYS A 9 2.144 -0.537 1.321 1.00 0.11 H ATOM 145 HA LYS A 9 4.585 -0.657 -0.337 1.00 0.14 H ATOM 146 HB2 LYS A 9 3.378 -2.679 1.611 1.00 0.24 H ATOM 147 HB3 LYS A 9 4.813 -2.970 0.675 1.00 0.20 H ATOM 148 HG2 LYS A 9 5.780 -2.316 2.605 1.00 0.28 H ATOM 149 HG3 LYS A 9 5.799 -0.827 1.667 1.00 0.28 H ATOM 150 HD2 LYS A 9 5.208 -0.299 3.897 1.00 0.37 H ATOM 151 HD3 LYS A 9 3.760 -0.078 2.934 1.00 0.28 H ATOM 152 HE2 LYS A 9 4.290 -2.734 4.329 1.00 0.82 H ATOM 153 HE3 LYS A 9 3.780 -1.343 5.295 1.00 1.12 H ATOM 154 HZ1 LYS A 9 1.833 -1.167 3.894 1.00 1.96 H ATOM 155 HZ2 LYS A 9 2.230 -2.569 3.117 1.00 2.39 H ATOM 156 HZ3 LYS A 9 1.891 -2.580 4.722 1.00 1.75 H ATOM 157 N ASN A 10 2.603 -1.432 -2.170 1.00 0.15 N ATOM 158 CA ASN A 10 2.113 -2.036 -3.395 1.00 0.20 C ATOM 159 C ASN A 10 1.555 -3.418 -3.129 1.00 0.19 C ATOM 160 O ASN A 10 1.933 -4.391 -3.766 1.00 0.23 O ATOM 161 CB ASN A 10 3.197 -2.035 -4.459 1.00 0.26 C ATOM 162 CG ASN A 10 3.513 -0.632 -4.903 1.00 0.57 C ATOM 163 OD1 ASN A 10 3.136 0.351 -4.283 1.00 1.30 O ATOM 164 ND2 ASN A 10 4.214 -0.527 -6.004 1.00 0.35 N ATOM 165 H ASN A 10 2.518 -0.433 -2.198 1.00 0.18 H ATOM 166 HA ASN A 10 1.321 -1.405 -3.793 1.00 0.23 H ATOM 167 HB2 ASN A 10 4.110 -2.486 -4.086 1.00 0.32 H ATOM 168 HB3 ASN A 10 2.836 -2.590 -5.320 1.00 0.47 H ATOM 169 HD21 ASN A 10 4.500 -1.333 -6.528 1.00 0.70 H ATOM 170 HD22 ASN A 10 4.484 0.406 -6.225 1.00 0.60 H ATOM 171 N ILE A 11 0.599 -3.491 -2.212 1.00 0.16 N ATOM 172 CA ILE A 11 -0.039 -4.738 -1.818 1.00 0.18 C ATOM 173 C ILE A 11 -1.207 -5.021 -2.767 1.00 0.19 C ATOM 174 O ILE A 11 -2.278 -5.453 -2.351 1.00 0.28 O ATOM 175 CB ILE A 11 -0.426 -4.729 -0.328 1.00 0.22 C ATOM 176 CG1 ILE A 11 -1.063 -3.397 0.094 1.00 0.22 C ATOM 177 CG2 ILE A 11 0.799 -5.069 0.531 1.00 0.26 C ATOM 178 CD1 ILE A 11 -0.065 -2.360 0.637 1.00 0.17 C ATOM 179 H ILE A 11 0.303 -2.623 -1.806 1.00 0.15 H ATOM 180 HA ILE A 11 0.681 -5.535 -1.936 1.00 0.22 H ATOM 181 HB ILE A 11 -1.155 -5.523 -0.158 1.00 0.29 H ATOM 182 HG12 ILE A 11 -1.594 -2.986 -0.763 1.00 0.22 H ATOM 183 HG13 ILE A 11 -1.797 -3.604 0.872 1.00 0.29 H ATOM 184 HG21 ILE A 11 0.531 -5.033 1.586 1.00 1.42 H ATOM 185 HG22 ILE A 11 1.139 -6.078 0.295 1.00 1.52 H ATOM 186 HG23 ILE A 11 1.616 -4.376 0.328 1.00 1.57 H ATOM 187 HD11 ILE A 11 -0.555 -1.390 0.709 1.00 1.21 H ATOM 188 HD12 ILE A 11 0.281 -2.657 1.627 1.00 1.23 H ATOM 189 HD13 ILE A 11 0.805 -2.271 -0.011 1.00 1.18 H ATOM 190 N VAL A 12 -0.989 -4.765 -4.057 1.00 0.24 N ATOM 191 CA VAL A 12 -1.963 -5.003 -5.107 1.00 0.25 C ATOM 192 C VAL A 12 -1.293 -5.698 -6.290 1.00 0.32 C ATOM 193 O VAL A 12 -1.557 -6.869 -6.531 1.00 0.42 O ATOM 194 CB VAL A 12 -2.731 -3.706 -5.437 1.00 0.33 C ATOM 195 CG1 VAL A 12 -1.896 -2.422 -5.313 1.00 0.44 C ATOM 196 CG2 VAL A 12 -3.407 -3.743 -6.812 1.00 0.42 C ATOM 197 H VAL A 12 -0.095 -4.369 -4.305 1.00 0.31 H ATOM 198 HA VAL A 12 -2.687 -5.716 -4.723 1.00 0.28 H ATOM 199 HB VAL A 12 -3.521 -3.626 -4.697 1.00 0.40 H ATOM 200 HG11 VAL A 12 -2.511 -1.567 -5.594 1.00 1.36 H ATOM 201 HG12 VAL A 12 -1.583 -2.276 -4.279 1.00 1.35 H ATOM 202 HG13 VAL A 12 -1.024 -2.453 -5.962 1.00 1.63 H ATOM 203 HG21 VAL A 12 -3.940 -4.687 -6.942 1.00 1.38 H ATOM 204 HG22 VAL A 12 -4.122 -2.924 -6.890 1.00 1.15 H ATOM 205 HG23 VAL A 12 -2.668 -3.632 -7.602 1.00 1.56 H ATOM 206 N THR A 13 -0.409 -5.001 -7.004 1.00 0.51 N ATOM 207 CA THR A 13 0.298 -5.466 -8.184 1.00 0.60 C ATOM 208 C THR A 13 -0.608 -6.214 -9.172 1.00 0.42 C ATOM 209 O THR A 13 -0.725 -7.434 -9.104 1.00 1.23 O ATOM 210 CB THR A 13 1.525 -6.275 -7.746 1.00 1.05 C ATOM 211 OG1 THR A 13 1.212 -7.544 -7.207 1.00 2.41 O ATOM 212 CG2 THR A 13 2.332 -5.545 -6.678 1.00 0.59 C ATOM 213 H THR A 13 -0.133 -4.092 -6.695 1.00 0.70 H ATOM 214 HA THR A 13 0.684 -4.585 -8.694 1.00 0.75 H ATOM 215 HB THR A 13 2.145 -6.379 -8.621 1.00 2.01 H ATOM 216 HG1 THR A 13 0.254 -7.675 -7.287 1.00 2.63 H ATOM 217 HG21 THR A 13 3.305 -6.023 -6.564 1.00 1.72 H ATOM 218 HG22 THR A 13 2.470 -4.498 -6.946 1.00 1.90 H ATOM 219 HG23 THR A 13 1.800 -5.628 -5.735 1.00 1.36 H ATOM 220 N PRO A 14 -1.268 -5.530 -10.112 1.00 0.61 N ATOM 221 CA PRO A 14 -2.145 -6.212 -11.041 1.00 0.77 C ATOM 222 C PRO A 14 -1.297 -7.010 -12.036 1.00 0.87 C ATOM 223 O PRO A 14 -0.680 -6.442 -12.932 1.00 1.66 O ATOM 224 CB PRO A 14 -2.978 -5.106 -11.689 1.00 1.77 C ATOM 225 CG PRO A 14 -2.076 -3.872 -11.615 1.00 2.21 C ATOM 226 CD PRO A 14 -1.212 -4.104 -10.373 1.00 1.53 C ATOM 227 HA PRO A 14 -2.809 -6.890 -10.502 1.00 0.97 H ATOM 228 HB2 PRO A 14 -3.258 -5.348 -12.716 1.00 2.00 H ATOM 229 HB3 PRO A 14 -3.870 -4.936 -11.085 1.00 2.16 H ATOM 230 HG2 PRO A 14 -1.441 -3.830 -12.499 1.00 2.47 H ATOM 231 HG3 PRO A 14 -2.664 -2.958 -11.524 1.00 2.87 H ATOM 232 HD2 PRO A 14 -0.189 -3.783 -10.572 1.00 1.75 H ATOM 233 HD3 PRO A 14 -1.621 -3.556 -9.526 1.00 1.81 H ATOM 234 N ARG A 15 -1.264 -8.335 -11.869 1.00 1.27 N ATOM 235 CA ARG A 15 -0.487 -9.255 -12.694 1.00 2.07 C ATOM 236 C ARG A 15 -1.421 -10.334 -13.222 1.00 3.08 C ATOM 237 O ARG A 15 -1.367 -11.482 -12.790 1.00 3.96 O ATOM 238 CB ARG A 15 0.731 -9.814 -11.937 1.00 2.80 C ATOM 239 CG ARG A 15 0.365 -10.312 -10.538 1.00 4.04 C ATOM 240 CD ARG A 15 1.580 -10.773 -9.734 1.00 5.34 C ATOM 241 NE ARG A 15 1.894 -12.184 -9.990 1.00 6.07 N ATOM 242 CZ ARG A 15 2.622 -12.958 -9.173 1.00 7.58 C ATOM 243 NH1 ARG A 15 3.221 -12.422 -8.107 1.00 8.52 N ATOM 244 NH2 ARG A 15 2.743 -14.263 -9.416 1.00 8.50 N ATOM 245 H ARG A 15 -1.757 -8.717 -11.074 1.00 1.60 H ATOM 246 HA ARG A 15 -0.092 -8.712 -13.544 1.00 2.27 H ATOM 247 HB2 ARG A 15 1.179 -10.625 -12.514 1.00 3.70 H ATOM 248 HB3 ARG A 15 1.470 -9.018 -11.838 1.00 3.21 H ATOM 249 HG2 ARG A 15 -0.080 -9.489 -10.001 1.00 4.52 H ATOM 250 HG3 ARG A 15 -0.370 -11.110 -10.596 1.00 4.63 H ATOM 251 HD2 ARG A 15 2.439 -10.145 -9.975 1.00 5.77 H ATOM 252 HD3 ARG A 15 1.339 -10.649 -8.677 1.00 5.89 H ATOM 253 HE ARG A 15 1.457 -12.580 -10.811 1.00 5.74 H ATOM 254 HH11 ARG A 15 3.137 -11.431 -7.935 1.00 8.25 H ATOM 255 HH12 ARG A 15 3.768 -12.968 -7.460 1.00 9.74 H ATOM 256 HH21 ARG A 15 2.282 -14.686 -10.208 1.00 8.31 H ATOM 257 HH22 ARG A 15 3.276 -14.867 -8.810 1.00 9.64 H ATOM 258 N THR A 16 -2.308 -9.950 -14.133 1.00 3.53 N ATOM 259 CA THR A 16 -3.335 -10.827 -14.655 1.00 4.82 C ATOM 260 C THR A 16 -2.935 -11.260 -16.063 1.00 5.42 C ATOM 261 O THR A 16 -2.254 -10.498 -16.750 1.00 5.15 O ATOM 262 CB THR A 16 -4.659 -10.056 -14.660 1.00 5.40 C ATOM 263 OG1 THR A 16 -4.520 -8.870 -15.412 1.00 5.70 O ATOM 264 CG2 THR A 16 -5.046 -9.661 -13.231 1.00 4.99 C ATOM 265 H THR A 16 -2.319 -9.008 -14.499 1.00 3.35 H ATOM 266 HA THR A 16 -3.433 -11.705 -14.018 1.00 5.29 H ATOM 267 HB THR A 16 -5.446 -10.677 -15.090 1.00 6.40 H ATOM 268 HG1 THR A 16 -4.420 -9.123 -16.340 1.00 6.29 H ATOM 269 HG21 THR A 16 -5.003 -10.533 -12.578 1.00 4.93 H ATOM 270 HG22 THR A 16 -4.369 -8.894 -12.854 1.00 4.85 H ATOM 271 HG23 THR A 16 -6.061 -9.262 -13.227 1.00 5.72 H ATOM 272 N PRO A 17 -3.350 -12.454 -16.498 1.00 6.53 N ATOM 273 CA PRO A 17 -3.229 -12.854 -17.885 1.00 7.38 C ATOM 274 C PRO A 17 -4.260 -12.094 -18.726 1.00 7.98 C ATOM 275 O PRO A 17 -4.194 -12.250 -19.962 1.00 8.76 O ATOM 276 CB PRO A 17 -3.499 -14.358 -17.870 1.00 8.42 C ATOM 277 CG PRO A 17 -4.549 -14.490 -16.768 1.00 8.63 C ATOM 278 CD PRO A 17 -4.138 -13.420 -15.754 1.00 7.35 C ATOM 279 OXT PRO A 17 -5.103 -11.392 -18.118 1.00 8.17 O ATOM 280 HA PRO A 17 -2.230 -12.647 -18.268 1.00 7.11 H ATOM 281 HB2 PRO A 17 -3.863 -14.723 -18.832 1.00 9.24 H ATOM 282 HB3 PRO A 17 -2.591 -14.885 -17.576 1.00 8.34 H ATOM 283 HG2 PRO A 17 -5.535 -14.254 -17.173 1.00 9.16 H ATOM 284 HG3 PRO A 17 -4.545 -15.487 -16.325 1.00 9.26 H ATOM 285 HD2 PRO A 17 -5.027 -12.955 -15.325 1.00 7.45 H ATOM 286 HD3 PRO A 17 -3.523 -13.865 -14.972 1.00 7.21 H TER 287 PRO A 17 ENDMDL MODEL 10 ATOM 1 N GLU A 1 -10.715 6.766 9.210 1.00 2.06 N ATOM 2 CA GLU A 1 -9.768 7.244 8.191 1.00 1.95 C ATOM 3 C GLU A 1 -8.510 6.408 8.305 1.00 1.81 C ATOM 4 O GLU A 1 -8.410 5.632 9.251 1.00 2.93 O ATOM 5 CB GLU A 1 -9.432 8.722 8.393 1.00 2.66 C ATOM 6 CG GLU A 1 -10.592 9.582 7.901 1.00 3.11 C ATOM 7 CD GLU A 1 -10.138 11.033 7.796 1.00 3.81 C ATOM 8 OE1 GLU A 1 -9.648 11.388 6.702 1.00 3.93 O ATOM 9 OE2 GLU A 1 -10.248 11.734 8.822 1.00 4.90 O ATOM 10 H1 GLU A 1 -10.200 6.685 10.078 1.00 2.37 H ATOM 11 H2 GLU A 1 -11.494 7.401 9.304 1.00 2.20 H ATOM 12 H3 GLU A 1 -11.028 5.839 8.961 1.00 1.94 H ATOM 13 HA GLU A 1 -10.194 7.109 7.197 1.00 1.87 H ATOM 14 HB2 GLU A 1 -9.235 8.919 9.447 1.00 3.21 H ATOM 15 HB3 GLU A 1 -8.543 8.972 7.813 1.00 2.75 H ATOM 16 HG2 GLU A 1 -10.905 9.227 6.917 1.00 3.06 H ATOM 17 HG3 GLU A 1 -11.434 9.494 8.589 1.00 3.72 H ATOM 18 N ASN A 2 -7.551 6.593 7.394 1.00 1.20 N ATOM 19 CA ASN A 2 -6.330 5.807 7.401 1.00 0.86 C ATOM 20 C ASN A 2 -5.145 6.762 7.499 1.00 0.59 C ATOM 21 O ASN A 2 -4.484 6.993 6.488 1.00 0.56 O ATOM 22 CB ASN A 2 -6.213 4.963 6.114 1.00 1.18 C ATOM 23 CG ASN A 2 -7.503 4.251 5.722 1.00 1.85 C ATOM 24 OD1 ASN A 2 -8.228 3.736 6.561 1.00 2.37 O ATOM 25 ND2 ASN A 2 -7.832 4.245 4.436 1.00 2.52 N ATOM 26 H ASN A 2 -7.653 7.294 6.674 1.00 1.93 H ATOM 27 HA ASN A 2 -6.338 5.134 8.260 1.00 0.82 H ATOM 28 HB2 ASN A 2 -5.914 5.607 5.287 1.00 1.73 H ATOM 29 HB3 ASN A 2 -5.418 4.232 6.258 1.00 1.18 H ATOM 30 HD21 ASN A 2 -7.248 4.673 3.735 1.00 2.82 H ATOM 31 HD22 ASN A 2 -8.693 3.785 4.184 1.00 3.02 H ATOM 32 N PRO A 3 -4.854 7.345 8.671 1.00 0.54 N ATOM 33 CA PRO A 3 -3.794 8.332 8.814 1.00 0.49 C ATOM 34 C PRO A 3 -2.425 7.648 8.881 1.00 0.58 C ATOM 35 O PRO A 3 -1.750 7.685 9.904 1.00 1.54 O ATOM 36 CB PRO A 3 -4.154 9.097 10.092 1.00 0.62 C ATOM 37 CG PRO A 3 -4.838 8.029 10.946 1.00 0.76 C ATOM 38 CD PRO A 3 -5.602 7.205 9.908 1.00 0.74 C ATOM 39 HA PRO A 3 -3.796 9.008 7.962 1.00 0.56 H ATOM 40 HB2 PRO A 3 -3.286 9.531 10.591 1.00 0.70 H ATOM 41 HB3 PRO A 3 -4.876 9.878 9.850 1.00 0.68 H ATOM 42 HG2 PRO A 3 -4.087 7.405 11.433 1.00 0.83 H ATOM 43 HG3 PRO A 3 -5.510 8.470 11.683 1.00 0.92 H ATOM 44 HD2 PRO A 3 -5.669 6.163 10.222 1.00 0.87 H ATOM 45 HD3 PRO A 3 -6.597 7.629 9.781 1.00 0.84 H ATOM 46 N VAL A 4 -2.034 7.003 7.778 1.00 0.43 N ATOM 47 CA VAL A 4 -0.843 6.175 7.647 1.00 0.21 C ATOM 48 C VAL A 4 -0.775 5.628 6.223 1.00 0.27 C ATOM 49 O VAL A 4 0.312 5.509 5.661 1.00 0.49 O ATOM 50 CB VAL A 4 -0.851 5.032 8.686 1.00 0.32 C ATOM 51 CG1 VAL A 4 -2.113 4.157 8.630 1.00 2.54 C ATOM 52 CG2 VAL A 4 0.439 4.201 8.644 1.00 2.15 C ATOM 53 H VAL A 4 -2.627 7.086 6.966 1.00 1.31 H ATOM 54 HA VAL A 4 0.034 6.800 7.822 1.00 0.28 H ATOM 55 HB VAL A 4 -0.853 5.473 9.668 1.00 1.75 H ATOM 56 HG11 VAL A 4 -2.081 3.446 7.811 1.00 3.88 H ATOM 57 HG12 VAL A 4 -2.195 3.598 9.563 1.00 2.88 H ATOM 58 HG13 VAL A 4 -3.001 4.782 8.537 1.00 3.50 H ATOM 59 HG21 VAL A 4 1.272 4.827 8.963 1.00 3.52 H ATOM 60 HG22 VAL A 4 0.356 3.359 9.331 1.00 2.66 H ATOM 61 HG23 VAL A 4 0.655 3.840 7.645 1.00 2.93 H ATOM 62 N VAL A 5 -1.918 5.195 5.664 1.00 0.21 N ATOM 63 CA VAL A 5 -1.976 4.488 4.381 1.00 0.30 C ATOM 64 C VAL A 5 -1.123 3.219 4.386 1.00 0.20 C ATOM 65 O VAL A 5 -0.943 2.564 3.361 1.00 0.25 O ATOM 66 CB VAL A 5 -1.678 5.506 3.255 1.00 0.47 C ATOM 67 CG1 VAL A 5 -1.228 4.904 1.923 1.00 0.49 C ATOM 68 CG2 VAL A 5 -2.936 6.347 3.020 1.00 0.70 C ATOM 69 H VAL A 5 -2.791 5.294 6.164 1.00 0.38 H ATOM 70 HA VAL A 5 -2.981 4.099 4.248 1.00 0.40 H ATOM 71 HB VAL A 5 -0.883 6.180 3.572 1.00 0.51 H ATOM 72 HG11 VAL A 5 -0.236 4.468 2.054 1.00 1.24 H ATOM 73 HG12 VAL A 5 -1.932 4.139 1.600 1.00 1.65 H ATOM 74 HG13 VAL A 5 -1.157 5.683 1.164 1.00 1.36 H ATOM 75 HG21 VAL A 5 -3.756 5.705 2.700 1.00 2.18 H ATOM 76 HG22 VAL A 5 -3.215 6.861 3.940 1.00 1.69 H ATOM 77 HG23 VAL A 5 -2.743 7.093 2.248 1.00 1.42 H ATOM 78 N HIS A 6 -0.625 2.811 5.553 1.00 0.23 N ATOM 79 CA HIS A 6 0.352 1.757 5.659 1.00 0.32 C ATOM 80 C HIS A 6 1.496 1.936 4.659 1.00 0.28 C ATOM 81 O HIS A 6 2.088 0.952 4.223 1.00 0.42 O ATOM 82 CB HIS A 6 -0.363 0.409 5.520 1.00 0.43 C ATOM 83 CG HIS A 6 -1.287 0.036 6.648 1.00 0.68 C ATOM 84 ND1 HIS A 6 -2.299 -0.898 6.593 1.00 1.00 N ATOM 85 CD2 HIS A 6 -1.206 0.481 7.938 1.00 0.76 C ATOM 86 CE1 HIS A 6 -2.817 -1.001 7.831 1.00 1.20 C ATOM 87 NE2 HIS A 6 -2.187 -0.177 8.680 1.00 1.05 N ATOM 88 H HIS A 6 -0.817 3.325 6.397 1.00 0.27 H ATOM 89 HA HIS A 6 0.799 1.825 6.639 1.00 0.40 H ATOM 90 HB2 HIS A 6 -0.916 0.374 4.585 1.00 0.41 H ATOM 91 HB3 HIS A 6 0.397 -0.347 5.470 1.00 0.48 H ATOM 92 HD1 HIS A 6 -2.590 -1.427 5.783 1.00 1.10 H ATOM 93 HD2 HIS A 6 -0.485 1.187 8.309 1.00 0.73 H ATOM 94 HE1 HIS A 6 -3.623 -1.667 8.111 1.00 1.49 H ATOM 95 N PHE A 7 1.846 3.181 4.304 1.00 0.28 N ATOM 96 CA PHE A 7 2.906 3.496 3.348 1.00 0.31 C ATOM 97 C PHE A 7 2.725 2.841 1.971 1.00 0.21 C ATOM 98 O PHE A 7 3.641 2.878 1.158 1.00 0.29 O ATOM 99 CB PHE A 7 4.245 3.107 3.981 1.00 0.42 C ATOM 100 CG PHE A 7 5.203 4.252 4.221 1.00 0.65 C ATOM 101 CD1 PHE A 7 4.816 5.329 5.040 1.00 1.78 C ATOM 102 CD2 PHE A 7 6.490 4.229 3.655 1.00 2.12 C ATOM 103 CE1 PHE A 7 5.717 6.378 5.294 1.00 1.77 C ATOM 104 CE2 PHE A 7 7.392 5.275 3.914 1.00 2.33 C ATOM 105 CZ PHE A 7 7.006 6.349 4.733 1.00 1.14 C ATOM 106 H PHE A 7 1.371 3.971 4.717 1.00 0.35 H ATOM 107 HA PHE A 7 2.901 4.574 3.185 1.00 0.41 H ATOM 108 HB2 PHE A 7 4.048 2.624 4.934 1.00 0.60 H ATOM 109 HB3 PHE A 7 4.720 2.360 3.356 1.00 0.27 H ATOM 110 HD1 PHE A 7 3.830 5.352 5.480 1.00 3.12 H ATOM 111 HD2 PHE A 7 6.795 3.407 3.022 1.00 3.39 H ATOM 112 HE1 PHE A 7 5.420 7.204 5.923 1.00 3.00 H ATOM 113 HE2 PHE A 7 8.383 5.253 3.483 1.00 3.72 H ATOM 114 HZ PHE A 7 7.699 7.153 4.933 1.00 1.34 H ATOM 115 N PHE A 8 1.556 2.249 1.722 1.00 0.19 N ATOM 116 CA PHE A 8 1.163 1.516 0.527 1.00 0.32 C ATOM 117 C PHE A 8 2.305 0.658 -0.026 1.00 0.28 C ATOM 118 O PHE A 8 2.891 0.980 -1.054 1.00 0.34 O ATOM 119 CB PHE A 8 0.589 2.496 -0.508 1.00 0.47 C ATOM 120 CG PHE A 8 -0.342 1.858 -1.519 1.00 0.79 C ATOM 121 CD1 PHE A 8 0.162 1.271 -2.697 1.00 1.54 C ATOM 122 CD2 PHE A 8 -1.730 1.874 -1.287 1.00 2.33 C ATOM 123 CE1 PHE A 8 -0.720 0.712 -3.637 1.00 1.57 C ATOM 124 CE2 PHE A 8 -2.612 1.321 -2.231 1.00 2.61 C ATOM 125 CZ PHE A 8 -2.107 0.744 -3.407 1.00 1.45 C ATOM 126 H PHE A 8 0.896 2.269 2.483 1.00 0.17 H ATOM 127 HA PHE A 8 0.352 0.848 0.818 1.00 0.38 H ATOM 128 HB2 PHE A 8 0.024 3.264 0.019 1.00 0.38 H ATOM 129 HB3 PHE A 8 1.401 3.008 -1.026 1.00 0.58 H ATOM 130 HD1 PHE A 8 1.226 1.271 -2.894 1.00 2.79 H ATOM 131 HD2 PHE A 8 -2.126 2.328 -0.390 1.00 3.52 H ATOM 132 HE1 PHE A 8 -0.334 0.279 -4.548 1.00 2.66 H ATOM 133 HE2 PHE A 8 -3.679 1.354 -2.058 1.00 3.96 H ATOM 134 HZ PHE A 8 -2.793 0.341 -4.137 1.00 1.71 H ATOM 135 N LYS A 9 2.618 -0.470 0.624 1.00 0.21 N ATOM 136 CA LYS A 9 3.663 -1.373 0.128 1.00 0.19 C ATOM 137 C LYS A 9 3.171 -2.229 -1.056 1.00 0.20 C ATOM 138 O LYS A 9 3.233 -3.451 -0.984 1.00 0.28 O ATOM 139 CB LYS A 9 4.197 -2.272 1.264 1.00 0.19 C ATOM 140 CG LYS A 9 5.382 -1.647 2.008 1.00 0.31 C ATOM 141 CD LYS A 9 4.978 -0.604 3.041 1.00 0.59 C ATOM 142 CE LYS A 9 4.106 -1.267 4.107 1.00 0.68 C ATOM 143 NZ LYS A 9 4.054 -0.452 5.329 1.00 2.20 N ATOM 144 H LYS A 9 2.123 -0.698 1.475 1.00 0.22 H ATOM 145 HA LYS A 9 4.490 -0.760 -0.229 1.00 0.20 H ATOM 146 HB2 LYS A 9 3.392 -2.545 1.947 1.00 0.30 H ATOM 147 HB3 LYS A 9 4.581 -3.199 0.848 1.00 0.35 H ATOM 148 HG2 LYS A 9 5.918 -2.442 2.527 1.00 0.30 H ATOM 149 HG3 LYS A 9 6.064 -1.196 1.289 1.00 0.63 H ATOM 150 HD2 LYS A 9 5.886 -0.204 3.498 1.00 0.75 H ATOM 151 HD3 LYS A 9 4.433 0.207 2.557 1.00 0.83 H ATOM 152 HE2 LYS A 9 3.095 -1.370 3.707 1.00 1.73 H ATOM 153 HE3 LYS A 9 4.496 -2.259 4.343 1.00 1.14 H ATOM 154 HZ1 LYS A 9 4.898 -0.557 5.873 1.00 3.14 H ATOM 155 HZ2 LYS A 9 3.925 0.510 5.046 1.00 3.02 H ATOM 156 HZ3 LYS A 9 3.242 -0.714 5.870 1.00 2.40 H ATOM 157 N ASN A 10 2.682 -1.621 -2.144 1.00 0.19 N ATOM 158 CA ASN A 10 2.246 -2.244 -3.385 1.00 0.22 C ATOM 159 C ASN A 10 1.601 -3.596 -3.151 1.00 0.20 C ATOM 160 O ASN A 10 1.927 -4.586 -3.798 1.00 0.24 O ATOM 161 CB ASN A 10 3.393 -2.308 -4.382 1.00 0.30 C ATOM 162 CG ASN A 10 3.765 -0.929 -4.855 1.00 0.61 C ATOM 163 OD1 ASN A 10 3.412 0.084 -4.265 1.00 1.32 O ATOM 164 ND2 ASN A 10 4.492 -0.881 -5.946 1.00 0.47 N ATOM 165 H ASN A 10 2.666 -0.619 -2.212 1.00 0.23 H ATOM 166 HA ASN A 10 1.502 -1.593 -3.843 1.00 0.26 H ATOM 167 HB2 ASN A 10 4.273 -2.760 -3.940 1.00 0.44 H ATOM 168 HB3 ASN A 10 3.071 -2.890 -5.243 1.00 0.38 H ATOM 169 HD21 ASN A 10 4.755 -1.713 -6.443 1.00 0.77 H ATOM 170 HD22 ASN A 10 4.802 0.031 -6.191 1.00 0.69 H ATOM 171 N ILE A 11 0.602 -3.599 -2.276 1.00 0.17 N ATOM 172 CA ILE A 11 -0.164 -4.778 -1.912 1.00 0.20 C ATOM 173 C ILE A 11 -1.282 -4.993 -2.941 1.00 0.23 C ATOM 174 O ILE A 11 -2.391 -5.395 -2.602 1.00 0.34 O ATOM 175 CB ILE A 11 -0.668 -4.688 -0.458 1.00 0.27 C ATOM 176 CG1 ILE A 11 -1.249 -3.304 -0.137 1.00 0.29 C ATOM 177 CG2 ILE A 11 0.444 -5.087 0.523 1.00 0.31 C ATOM 178 CD1 ILE A 11 -0.237 -2.310 0.455 1.00 0.24 C ATOM 179 H ILE A 11 0.361 -2.710 -1.880 1.00 0.16 H ATOM 180 HA ILE A 11 0.497 -5.630 -1.949 1.00 0.23 H ATOM 181 HB ILE A 11 -1.465 -5.423 -0.327 1.00 0.34 H ATOM 182 HG12 ILE A 11 -1.677 -2.892 -1.050 1.00 0.29 H ATOM 183 HG13 ILE A 11 -2.056 -3.432 0.582 1.00 0.37 H ATOM 184 HG21 ILE A 11 0.087 -4.989 1.548 1.00 1.60 H ATOM 185 HG22 ILE A 11 0.724 -6.127 0.353 1.00 1.52 H ATOM 186 HG23 ILE A 11 1.329 -4.467 0.381 1.00 1.41 H ATOM 187 HD11 ILE A 11 0.697 -2.315 -0.104 1.00 1.65 H ATOM 188 HD12 ILE A 11 -0.660 -1.307 0.430 1.00 1.74 H ATOM 189 HD13 ILE A 11 -0.014 -2.578 1.488 1.00 1.56 H ATOM 190 N VAL A 12 -0.994 -4.705 -4.214 1.00 0.27 N ATOM 191 CA VAL A 12 -1.925 -4.894 -5.312 1.00 0.30 C ATOM 192 C VAL A 12 -1.170 -5.405 -6.545 1.00 0.31 C ATOM 193 O VAL A 12 -1.182 -6.609 -6.768 1.00 0.43 O ATOM 194 CB VAL A 12 -2.796 -3.634 -5.495 1.00 0.34 C ATOM 195 CG1 VAL A 12 -2.050 -2.321 -5.213 1.00 0.36 C ATOM 196 CG2 VAL A 12 -3.462 -3.551 -6.872 1.00 0.42 C ATOM 197 H VAL A 12 -0.067 -4.365 -4.425 1.00 0.33 H ATOM 198 HA VAL A 12 -2.600 -5.702 -5.030 1.00 0.36 H ATOM 199 HB VAL A 12 -3.598 -3.701 -4.759 1.00 0.41 H ATOM 200 HG11 VAL A 12 -1.111 -2.265 -5.758 1.00 1.64 H ATOM 201 HG12 VAL A 12 -2.680 -1.485 -5.514 1.00 1.56 H ATOM 202 HG13 VAL A 12 -1.852 -2.232 -4.144 1.00 1.57 H ATOM 203 HG21 VAL A 12 -3.823 -4.534 -7.175 1.00 1.31 H ATOM 204 HG22 VAL A 12 -4.311 -2.869 -6.822 1.00 1.22 H ATOM 205 HG23 VAL A 12 -2.760 -3.164 -7.607 1.00 1.55 H ATOM 206 N THR A 13 -0.508 -4.530 -7.315 1.00 0.44 N ATOM 207 CA THR A 13 0.291 -4.845 -8.505 1.00 0.49 C ATOM 208 C THR A 13 -0.258 -6.041 -9.311 1.00 0.41 C ATOM 209 O THR A 13 0.248 -7.160 -9.230 1.00 1.29 O ATOM 210 CB THR A 13 1.781 -4.941 -8.122 1.00 0.91 C ATOM 211 OG1 THR A 13 2.575 -5.207 -9.258 1.00 2.20 O ATOM 212 CG2 THR A 13 2.101 -5.935 -7.001 1.00 0.58 C ATOM 213 H THR A 13 -0.551 -3.558 -7.064 1.00 0.64 H ATOM 214 HA THR A 13 0.231 -3.980 -9.162 1.00 0.62 H ATOM 215 HB THR A 13 2.078 -3.958 -7.755 1.00 1.60 H ATOM 216 HG1 THR A 13 3.385 -5.628 -8.962 1.00 2.67 H ATOM 217 HG21 THR A 13 1.585 -5.639 -6.089 1.00 1.43 H ATOM 218 HG22 THR A 13 1.788 -6.942 -7.274 1.00 1.94 H ATOM 219 HG23 THR A 13 3.171 -5.926 -6.794 1.00 1.69 H ATOM 220 N PRO A 14 -1.312 -5.821 -10.115 1.00 0.59 N ATOM 221 CA PRO A 14 -2.031 -6.892 -10.782 1.00 0.71 C ATOM 222 C PRO A 14 -1.212 -7.441 -11.950 1.00 0.82 C ATOM 223 O PRO A 14 -1.372 -7.017 -13.092 1.00 1.66 O ATOM 224 CB PRO A 14 -3.355 -6.270 -11.235 1.00 1.71 C ATOM 225 CG PRO A 14 -2.999 -4.799 -11.449 1.00 2.22 C ATOM 226 CD PRO A 14 -1.938 -4.538 -10.381 1.00 1.61 C ATOM 227 HA PRO A 14 -2.237 -7.700 -10.078 1.00 1.07 H ATOM 228 HB2 PRO A 14 -3.745 -6.733 -12.143 1.00 1.87 H ATOM 229 HB3 PRO A 14 -4.084 -6.351 -10.428 1.00 2.18 H ATOM 230 HG2 PRO A 14 -2.563 -4.663 -12.439 1.00 2.46 H ATOM 231 HG3 PRO A 14 -3.866 -4.150 -11.319 1.00 2.94 H ATOM 232 HD2 PRO A 14 -1.213 -3.811 -10.749 1.00 1.92 H ATOM 233 HD3 PRO A 14 -2.416 -4.176 -9.474 1.00 1.93 H ATOM 234 N ARG A 15 -0.347 -8.413 -11.666 1.00 1.54 N ATOM 235 CA ARG A 15 0.478 -9.099 -12.648 1.00 2.35 C ATOM 236 C ARG A 15 0.451 -10.570 -12.276 1.00 3.49 C ATOM 237 O ARG A 15 0.975 -10.946 -11.233 1.00 4.39 O ATOM 238 CB ARG A 15 1.902 -8.523 -12.609 1.00 3.30 C ATOM 239 CG ARG A 15 1.999 -7.327 -13.562 1.00 4.07 C ATOM 240 CD ARG A 15 3.152 -6.378 -13.223 1.00 5.57 C ATOM 241 NE ARG A 15 4.474 -6.989 -13.426 1.00 6.38 N ATOM 242 CZ ARG A 15 5.614 -6.298 -13.561 1.00 7.93 C ATOM 243 NH1 ARG A 15 5.603 -4.966 -13.480 1.00 8.86 N ATOM 244 NH2 ARG A 15 6.766 -6.935 -13.779 1.00 8.86 N ATOM 245 H ARG A 15 -0.210 -8.664 -10.692 1.00 2.08 H ATOM 246 HA ARG A 15 0.058 -8.969 -13.646 1.00 2.33 H ATOM 247 HB2 ARG A 15 2.142 -8.214 -11.590 1.00 3.90 H ATOM 248 HB3 ARG A 15 2.620 -9.283 -12.921 1.00 3.66 H ATOM 249 HG2 ARG A 15 2.105 -7.693 -14.585 1.00 4.08 H ATOM 250 HG3 ARG A 15 1.080 -6.749 -13.505 1.00 4.21 H ATOM 251 HD2 ARG A 15 3.056 -5.508 -13.873 1.00 6.33 H ATOM 252 HD3 ARG A 15 3.053 -6.054 -12.185 1.00 5.79 H ATOM 253 HE ARG A 15 4.489 -7.999 -13.467 1.00 6.01 H ATOM 254 HH11 ARG A 15 4.736 -4.486 -13.292 1.00 8.52 H ATOM 255 HH12 ARG A 15 6.436 -4.409 -13.593 1.00 10.09 H ATOM 256 HH21 ARG A 15 6.799 -7.942 -13.845 1.00 8.61 H ATOM 257 HH22 ARG A 15 7.635 -6.434 -13.889 1.00 10.04 H ATOM 258 N THR A 16 -0.192 -11.392 -13.102 1.00 4.10 N ATOM 259 CA THR A 16 -0.328 -12.818 -12.861 1.00 5.62 C ATOM 260 C THR A 16 -0.209 -13.534 -14.207 1.00 6.29 C ATOM 261 O THR A 16 -0.471 -12.907 -15.237 1.00 5.83 O ATOM 262 CB THR A 16 -1.674 -13.104 -12.179 1.00 6.18 C ATOM 263 OG1 THR A 16 -2.739 -12.456 -12.843 1.00 6.02 O ATOM 264 CG2 THR A 16 -1.686 -12.622 -10.725 1.00 6.14 C ATOM 265 H THR A 16 -0.568 -11.076 -13.987 1.00 3.93 H ATOM 266 HA THR A 16 0.480 -13.154 -12.211 1.00 6.20 H ATOM 267 HB THR A 16 -1.849 -14.177 -12.189 1.00 7.24 H ATOM 268 HG1 THR A 16 -2.562 -11.515 -12.873 1.00 5.99 H ATOM 269 HG21 THR A 16 -1.643 -11.534 -10.681 1.00 5.54 H ATOM 270 HG22 THR A 16 -2.604 -12.955 -10.243 1.00 6.42 H ATOM 271 HG23 THR A 16 -0.832 -13.038 -10.190 1.00 6.97 H ATOM 272 N PRO A 17 0.249 -14.792 -14.217 1.00 7.63 N ATOM 273 CA PRO A 17 0.311 -15.610 -15.416 1.00 8.57 C ATOM 274 C PRO A 17 -1.065 -16.198 -15.728 1.00 9.30 C ATOM 275 O PRO A 17 -1.242 -16.619 -16.890 1.00 9.94 O ATOM 276 CB PRO A 17 1.309 -16.716 -15.073 1.00 9.83 C ATOM 277 CG PRO A 17 1.037 -16.950 -13.587 1.00 10.15 C ATOM 278 CD PRO A 17 0.698 -15.552 -13.063 1.00 8.62 C ATOM 279 OXT PRO A 17 -1.894 -16.258 -14.792 1.00 9.69 O ATOM 280 HA PRO A 17 0.658 -15.031 -16.271 1.00 8.12 H ATOM 281 HB2 PRO A 17 1.143 -17.617 -15.666 1.00 10.79 H ATOM 282 HB3 PRO A 17 2.325 -16.344 -15.208 1.00 9.65 H ATOM 283 HG2 PRO A 17 0.173 -17.606 -13.469 1.00 10.81 H ATOM 284 HG3 PRO A 17 1.907 -17.368 -13.080 1.00 10.86 H ATOM 285 HD2 PRO A 17 -0.084 -15.617 -12.307 1.00 8.75 H ATOM 286 HD3 PRO A 17 1.593 -15.089 -12.649 1.00 8.40 H TER 287 PRO A 17 ENDMDL MODEL 11 ATOM 1 N GLU A 1 -10.379 6.409 7.574 1.00 1.96 N ATOM 2 CA GLU A 1 -9.460 6.809 6.503 1.00 1.63 C ATOM 3 C GLU A 1 -8.092 6.572 7.069 1.00 1.47 C ATOM 4 O GLU A 1 -7.803 7.176 8.089 1.00 2.12 O ATOM 5 CB GLU A 1 -9.650 8.289 6.137 1.00 1.70 C ATOM 6 CG GLU A 1 -10.698 8.438 5.036 1.00 2.07 C ATOM 7 CD GLU A 1 -10.163 7.868 3.725 1.00 3.68 C ATOM 8 OE1 GLU A 1 -9.946 6.635 3.718 1.00 4.86 O ATOM 9 OE2 GLU A 1 -9.949 8.663 2.787 1.00 4.72 O ATOM 10 H1 GLU A 1 -9.947 6.707 8.446 1.00 2.04 H ATOM 11 H2 GLU A 1 -11.281 6.840 7.441 1.00 2.08 H ATOM 12 H3 GLU A 1 -10.462 5.403 7.585 1.00 2.11 H ATOM 13 HA GLU A 1 -9.591 6.170 5.633 1.00 1.68 H ATOM 14 HB2 GLU A 1 -9.971 8.842 7.023 1.00 2.00 H ATOM 15 HB3 GLU A 1 -8.708 8.713 5.788 1.00 1.85 H ATOM 16 HG2 GLU A 1 -11.604 7.902 5.326 1.00 2.61 H ATOM 17 HG3 GLU A 1 -10.940 9.494 4.912 1.00 2.54 H ATOM 18 N ASN A 2 -7.338 5.621 6.524 1.00 1.05 N ATOM 19 CA ASN A 2 -6.080 5.162 7.101 1.00 0.79 C ATOM 20 C ASN A 2 -5.085 6.315 7.218 1.00 0.50 C ATOM 21 O ASN A 2 -4.405 6.616 6.240 1.00 0.43 O ATOM 22 CB ASN A 2 -5.475 4.000 6.279 1.00 0.97 C ATOM 23 CG ASN A 2 -5.458 4.179 4.755 1.00 2.22 C ATOM 24 OD1 ASN A 2 -6.072 5.075 4.196 1.00 3.53 O ATOM 25 ND2 ASN A 2 -4.799 3.282 4.033 1.00 2.68 N ATOM 26 H ASN A 2 -7.593 5.259 5.612 1.00 1.41 H ATOM 27 HA ASN A 2 -6.286 4.780 8.098 1.00 0.83 H ATOM 28 HB2 ASN A 2 -4.454 3.840 6.616 1.00 2.00 H ATOM 29 HB3 ASN A 2 -6.031 3.097 6.512 1.00 1.42 H ATOM 30 HD21 ASN A 2 -4.325 2.493 4.441 1.00 2.58 H ATOM 31 HD22 ASN A 2 -4.857 3.406 3.033 1.00 3.68 H ATOM 32 N PRO A 3 -4.868 6.894 8.414 1.00 0.48 N ATOM 33 CA PRO A 3 -4.004 8.062 8.560 1.00 0.38 C ATOM 34 C PRO A 3 -2.512 7.728 8.474 1.00 0.35 C ATOM 35 O PRO A 3 -1.664 8.557 8.789 1.00 0.76 O ATOM 36 CB PRO A 3 -4.381 8.649 9.922 1.00 0.60 C ATOM 37 CG PRO A 3 -4.708 7.398 10.736 1.00 0.77 C ATOM 38 CD PRO A 3 -5.435 6.531 9.710 1.00 0.73 C ATOM 39 HA PRO A 3 -4.220 8.768 7.768 1.00 0.38 H ATOM 40 HB2 PRO A 3 -3.578 9.234 10.369 1.00 0.65 H ATOM 41 HB3 PRO A 3 -5.280 9.258 9.812 1.00 0.70 H ATOM 42 HG2 PRO A 3 -3.788 6.910 11.058 1.00 0.78 H ATOM 43 HG3 PRO A 3 -5.347 7.631 11.589 1.00 0.96 H ATOM 44 HD2 PRO A 3 -5.331 5.471 9.922 1.00 0.86 H ATOM 45 HD3 PRO A 3 -6.486 6.781 9.776 1.00 0.85 H ATOM 46 N VAL A 4 -2.192 6.518 8.029 1.00 0.28 N ATOM 47 CA VAL A 4 -0.844 6.007 7.877 1.00 0.21 C ATOM 48 C VAL A 4 -0.603 5.469 6.468 1.00 0.21 C ATOM 49 O VAL A 4 0.528 5.135 6.118 1.00 0.31 O ATOM 50 CB VAL A 4 -0.638 4.904 8.918 1.00 0.28 C ATOM 51 CG1 VAL A 4 -0.469 5.519 10.310 1.00 1.09 C ATOM 52 CG2 VAL A 4 -1.809 3.908 8.962 1.00 0.94 C ATOM 53 H VAL A 4 -2.952 5.883 7.858 1.00 0.67 H ATOM 54 HA VAL A 4 -0.121 6.806 8.055 1.00 0.28 H ATOM 55 HB VAL A 4 0.261 4.360 8.645 1.00 0.81 H ATOM 56 HG11 VAL A 4 -1.370 6.065 10.591 1.00 1.67 H ATOM 57 HG12 VAL A 4 -0.281 4.734 11.042 1.00 1.95 H ATOM 58 HG13 VAL A 4 0.374 6.211 10.307 1.00 1.95 H ATOM 59 HG21 VAL A 4 -2.044 3.542 7.966 1.00 1.99 H ATOM 60 HG22 VAL A 4 -1.535 3.060 9.589 1.00 1.73 H ATOM 61 HG23 VAL A 4 -2.695 4.377 9.392 1.00 2.15 H ATOM 62 N VAL A 5 -1.667 5.291 5.675 1.00 0.20 N ATOM 63 CA VAL A 5 -1.631 4.722 4.331 1.00 0.27 C ATOM 64 C VAL A 5 -0.983 3.343 4.264 1.00 0.18 C ATOM 65 O VAL A 5 -0.811 2.771 3.191 1.00 0.20 O ATOM 66 CB VAL A 5 -1.085 5.807 3.379 1.00 0.38 C ATOM 67 CG1 VAL A 5 -0.549 5.304 2.040 1.00 0.48 C ATOM 68 CG2 VAL A 5 -2.216 6.807 3.111 1.00 0.49 C ATOM 69 H VAL A 5 -2.551 5.668 5.967 1.00 0.29 H ATOM 70 HA VAL A 5 -2.644 4.492 4.039 1.00 0.33 H ATOM 71 HB VAL A 5 -0.274 6.338 3.876 1.00 0.41 H ATOM 72 HG11 VAL A 5 -1.297 4.686 1.544 1.00 1.24 H ATOM 73 HG12 VAL A 5 -0.292 6.149 1.401 1.00 1.77 H ATOM 74 HG13 VAL A 5 0.356 4.721 2.217 1.00 1.78 H ATOM 75 HG21 VAL A 5 -2.613 7.188 4.051 1.00 1.47 H ATOM 76 HG22 VAL A 5 -1.838 7.644 2.526 1.00 1.70 H ATOM 77 HG23 VAL A 5 -3.020 6.319 2.559 1.00 1.29 H ATOM 78 N HIS A 6 -0.688 2.743 5.417 1.00 0.15 N ATOM 79 CA HIS A 6 0.144 1.574 5.508 1.00 0.17 C ATOM 80 C HIS A 6 1.355 1.696 4.587 1.00 0.15 C ATOM 81 O HIS A 6 1.746 0.709 3.968 1.00 0.20 O ATOM 82 CB HIS A 6 -0.717 0.348 5.197 1.00 0.23 C ATOM 83 CG HIS A 6 -1.828 0.078 6.176 1.00 0.36 C ATOM 84 ND1 HIS A 6 -2.974 -0.642 5.926 1.00 0.52 N ATOM 85 CD2 HIS A 6 -1.842 0.439 7.494 1.00 0.43 C ATOM 86 CE1 HIS A 6 -3.667 -0.703 7.078 1.00 0.64 C ATOM 87 NE2 HIS A 6 -3.022 -0.050 8.056 1.00 0.58 N ATOM 88 H HIS A 6 -0.898 3.198 6.284 1.00 0.17 H ATOM 89 HA HIS A 6 0.526 1.514 6.521 1.00 0.22 H ATOM 90 HB2 HIS A 6 -1.136 0.440 4.199 1.00 0.24 H ATOM 91 HB3 HIS A 6 -0.068 -0.506 5.193 1.00 0.27 H ATOM 92 HD1 HIS A 6 -3.239 -1.077 5.054 1.00 0.59 H ATOM 93 HD2 HIS A 6 -1.064 0.982 8.001 1.00 0.45 H ATOM 94 HE1 HIS A 6 -4.609 -1.219 7.208 1.00 0.80 H ATOM 95 N PHE A 7 1.929 2.902 4.475 1.00 0.21 N ATOM 96 CA PHE A 7 3.063 3.235 3.623 1.00 0.27 C ATOM 97 C PHE A 7 2.916 2.876 2.137 1.00 0.24 C ATOM 98 O PHE A 7 3.869 3.039 1.384 1.00 0.32 O ATOM 99 CB PHE A 7 4.312 2.599 4.226 1.00 0.33 C ATOM 100 CG PHE A 7 5.240 3.612 4.853 1.00 0.50 C ATOM 101 CD1 PHE A 7 5.076 3.977 6.200 1.00 2.00 C ATOM 102 CD2 PHE A 7 6.233 4.222 4.069 1.00 1.77 C ATOM 103 CE1 PHE A 7 5.936 4.930 6.775 1.00 2.08 C ATOM 104 CE2 PHE A 7 7.084 5.184 4.640 1.00 1.79 C ATOM 105 CZ PHE A 7 6.941 5.531 5.996 1.00 0.80 C ATOM 106 H PHE A 7 1.571 3.667 5.032 1.00 0.27 H ATOM 107 HA PHE A 7 3.189 4.318 3.658 1.00 0.37 H ATOM 108 HB2 PHE A 7 4.028 1.856 4.968 1.00 0.36 H ATOM 109 HB3 PHE A 7 4.838 2.063 3.446 1.00 0.29 H ATOM 110 HD1 PHE A 7 4.283 3.532 6.784 1.00 3.33 H ATOM 111 HD2 PHE A 7 6.329 3.954 3.025 1.00 3.11 H ATOM 112 HE1 PHE A 7 5.821 5.207 7.813 1.00 3.44 H ATOM 113 HE2 PHE A 7 7.847 5.657 4.038 1.00 3.11 H ATOM 114 HZ PHE A 7 7.598 6.268 6.436 1.00 0.93 H ATOM 115 N PHE A 8 1.743 2.403 1.719 1.00 0.22 N ATOM 116 CA PHE A 8 1.449 1.845 0.410 1.00 0.29 C ATOM 117 C PHE A 8 2.577 0.921 -0.059 1.00 0.25 C ATOM 118 O PHE A 8 3.316 1.231 -0.987 1.00 0.37 O ATOM 119 CB PHE A 8 1.120 2.965 -0.587 1.00 0.43 C ATOM 120 CG PHE A 8 0.378 2.489 -1.824 1.00 0.53 C ATOM 121 CD1 PHE A 8 1.083 1.982 -2.931 1.00 1.87 C ATOM 122 CD2 PHE A 8 -1.027 2.561 -1.877 1.00 1.79 C ATOM 123 CE1 PHE A 8 0.398 1.549 -4.077 1.00 1.91 C ATOM 124 CE2 PHE A 8 -1.714 2.145 -3.031 1.00 1.88 C ATOM 125 CZ PHE A 8 -1.003 1.636 -4.131 1.00 0.86 C ATOM 126 H PHE A 8 1.031 2.316 2.424 1.00 0.18 H ATOM 127 HA PHE A 8 0.548 1.240 0.517 1.00 0.31 H ATOM 128 HB2 PHE A 8 0.495 3.703 -0.085 1.00 0.52 H ATOM 129 HB3 PHE A 8 2.038 3.473 -0.884 1.00 0.48 H ATOM 130 HD1 PHE A 8 2.160 1.936 -2.911 1.00 3.17 H ATOM 131 HD2 PHE A 8 -1.578 2.950 -1.033 1.00 3.07 H ATOM 132 HE1 PHE A 8 0.958 1.172 -4.922 1.00 3.19 H ATOM 133 HE2 PHE A 8 -2.791 2.228 -3.076 1.00 3.18 H ATOM 134 HZ PHE A 8 -1.531 1.326 -5.021 1.00 1.00 H ATOM 135 N LYS A 9 2.704 -0.265 0.545 1.00 0.13 N ATOM 136 CA LYS A 9 3.688 -1.235 0.058 1.00 0.12 C ATOM 137 C LYS A 9 3.143 -2.034 -1.133 1.00 0.16 C ATOM 138 O LYS A 9 3.194 -3.257 -1.103 1.00 0.25 O ATOM 139 CB LYS A 9 4.141 -2.188 1.176 1.00 0.16 C ATOM 140 CG LYS A 9 5.124 -1.555 2.170 1.00 0.22 C ATOM 141 CD LYS A 9 4.448 -0.961 3.403 1.00 0.36 C ATOM 142 CE LYS A 9 3.787 -2.059 4.252 1.00 0.47 C ATOM 143 NZ LYS A 9 2.311 -2.049 4.168 1.00 1.28 N ATOM 144 H LYS A 9 2.080 -0.484 1.309 1.00 0.14 H ATOM 145 HA LYS A 9 4.567 -0.697 -0.305 1.00 0.14 H ATOM 146 HB2 LYS A 9 3.280 -2.618 1.682 1.00 0.23 H ATOM 147 HB3 LYS A 9 4.677 -3.011 0.715 1.00 0.21 H ATOM 148 HG2 LYS A 9 5.820 -2.322 2.509 1.00 0.24 H ATOM 149 HG3 LYS A 9 5.701 -0.780 1.666 1.00 0.29 H ATOM 150 HD2 LYS A 9 5.216 -0.476 4.008 1.00 0.48 H ATOM 151 HD3 LYS A 9 3.737 -0.203 3.088 1.00 0.36 H ATOM 152 HE2 LYS A 9 4.161 -3.031 3.924 1.00 0.81 H ATOM 153 HE3 LYS A 9 4.079 -1.910 5.292 1.00 0.86 H ATOM 154 HZ1 LYS A 9 1.923 -2.765 4.765 1.00 2.10 H ATOM 155 HZ2 LYS A 9 1.968 -1.146 4.469 1.00 1.76 H ATOM 156 HZ3 LYS A 9 2.008 -2.203 3.221 1.00 2.16 H ATOM 157 N ASN A 10 2.613 -1.366 -2.166 1.00 0.19 N ATOM 158 CA ASN A 10 2.114 -1.931 -3.413 1.00 0.26 C ATOM 159 C ASN A 10 1.492 -3.303 -3.204 1.00 0.29 C ATOM 160 O ASN A 10 1.871 -4.282 -3.834 1.00 0.31 O ATOM 161 CB ASN A 10 3.215 -1.969 -4.464 1.00 0.28 C ATOM 162 CG ASN A 10 3.671 -0.590 -4.858 1.00 0.63 C ATOM 163 OD1 ASN A 10 3.544 0.375 -4.121 1.00 1.48 O ATOM 164 ND2 ASN A 10 4.231 -0.479 -6.038 1.00 0.36 N ATOM 165 H ASN A 10 2.654 -0.359 -2.182 1.00 0.24 H ATOM 166 HA ASN A 10 1.349 -1.263 -3.808 1.00 0.31 H ATOM 167 HB2 ASN A 10 4.085 -2.502 -4.101 1.00 0.33 H ATOM 168 HB3 ASN A 10 2.824 -2.472 -5.345 1.00 0.54 H ATOM 169 HD21 ASN A 10 4.330 -1.260 -6.663 1.00 0.82 H ATOM 170 HD22 ASN A 10 4.634 0.417 -6.204 1.00 0.64 H ATOM 171 N ILE A 11 0.490 -3.360 -2.338 1.00 0.29 N ATOM 172 CA ILE A 11 -0.155 -4.607 -1.950 1.00 0.26 C ATOM 173 C ILE A 11 -1.268 -4.978 -2.938 1.00 0.23 C ATOM 174 O ILE A 11 -2.094 -5.840 -2.651 1.00 0.57 O ATOM 175 CB ILE A 11 -0.618 -4.560 -0.480 1.00 0.29 C ATOM 176 CG1 ILE A 11 -1.201 -3.196 -0.083 1.00 0.28 C ATOM 177 CG2 ILE A 11 0.545 -4.947 0.442 1.00 0.30 C ATOM 178 CD1 ILE A 11 -0.179 -2.202 0.504 1.00 0.23 C ATOM 179 H ILE A 11 0.216 -2.493 -1.910 1.00 0.27 H ATOM 180 HA ILE A 11 0.585 -5.392 -2.003 1.00 0.28 H ATOM 181 HB ILE A 11 -1.395 -5.312 -0.338 1.00 0.35 H ATOM 182 HG12 ILE A 11 -1.679 -2.764 -0.961 1.00 0.29 H ATOM 183 HG13 ILE A 11 -1.972 -3.368 0.664 1.00 0.32 H ATOM 184 HG21 ILE A 11 0.226 -4.894 1.481 1.00 1.51 H ATOM 185 HG22 ILE A 11 0.859 -5.968 0.224 1.00 1.47 H ATOM 186 HG23 ILE A 11 1.394 -4.284 0.280 1.00 1.56 H ATOM 187 HD11 ILE A 11 -0.638 -1.217 0.583 1.00 1.32 H ATOM 188 HD12 ILE A 11 0.133 -2.524 1.498 1.00 1.13 H ATOM 189 HD13 ILE A 11 0.712 -2.125 -0.116 1.00 1.18 H ATOM 190 N VAL A 12 -1.276 -4.362 -4.124 1.00 0.49 N ATOM 191 CA VAL A 12 -2.256 -4.600 -5.173 1.00 0.48 C ATOM 192 C VAL A 12 -1.560 -5.313 -6.335 1.00 0.37 C ATOM 193 O VAL A 12 -1.628 -6.542 -6.402 1.00 0.45 O ATOM 194 CB VAL A 12 -3.034 -3.304 -5.499 1.00 0.53 C ATOM 195 CG1 VAL A 12 -2.211 -2.022 -5.300 1.00 0.52 C ATOM 196 CG2 VAL A 12 -3.662 -3.298 -6.900 1.00 0.54 C ATOM 197 H VAL A 12 -0.542 -3.702 -4.319 1.00 0.82 H ATOM 198 HA VAL A 12 -2.989 -5.303 -4.790 1.00 0.60 H ATOM 199 HB VAL A 12 -3.859 -3.253 -4.787 1.00 0.67 H ATOM 200 HG11 VAL A 12 -2.803 -1.161 -5.612 1.00 1.66 H ATOM 201 HG12 VAL A 12 -1.972 -1.889 -4.244 1.00 1.31 H ATOM 202 HG13 VAL A 12 -1.294 -2.044 -5.885 1.00 1.41 H ATOM 203 HG21 VAL A 12 -4.403 -2.500 -6.961 1.00 1.89 H ATOM 204 HG22 VAL A 12 -2.908 -3.120 -7.667 1.00 1.70 H ATOM 205 HG23 VAL A 12 -4.157 -4.250 -7.095 1.00 1.46 H ATOM 206 N THR A 13 -0.827 -4.572 -7.173 1.00 0.47 N ATOM 207 CA THR A 13 -0.075 -5.040 -8.327 1.00 0.49 C ATOM 208 C THR A 13 -0.961 -5.740 -9.375 1.00 0.66 C ATOM 209 O THR A 13 -2.176 -5.816 -9.195 1.00 2.38 O ATOM 210 CB THR A 13 1.140 -5.840 -7.841 1.00 0.89 C ATOM 211 OG1 THR A 13 0.849 -7.212 -7.724 1.00 2.19 O ATOM 212 CG2 THR A 13 1.704 -5.358 -6.508 1.00 0.74 C ATOM 213 H THR A 13 -0.727 -3.589 -7.015 1.00 0.66 H ATOM 214 HA THR A 13 0.319 -4.148 -8.813 1.00 0.48 H ATOM 215 HB THR A 13 1.925 -5.676 -8.563 1.00 1.55 H ATOM 216 HG1 THR A 13 0.066 -7.308 -7.168 1.00 2.72 H ATOM 217 HG21 THR A 13 1.051 -5.660 -5.690 1.00 1.86 H ATOM 218 HG22 THR A 13 2.683 -5.810 -6.346 1.00 1.33 H ATOM 219 HG23 THR A 13 1.815 -4.275 -6.521 1.00 1.96 H ATOM 220 N PRO A 14 -0.415 -6.207 -10.512 1.00 1.15 N ATOM 221 CA PRO A 14 -1.204 -6.961 -11.462 1.00 1.18 C ATOM 222 C PRO A 14 -1.429 -8.358 -10.889 1.00 1.64 C ATOM 223 O PRO A 14 -0.522 -9.185 -10.855 1.00 3.23 O ATOM 224 CB PRO A 14 -0.397 -6.983 -12.758 1.00 3.30 C ATOM 225 CG PRO A 14 1.053 -6.843 -12.294 1.00 4.39 C ATOM 226 CD PRO A 14 0.969 -6.117 -10.950 1.00 3.16 C ATOM 227 HA PRO A 14 -2.163 -6.473 -11.640 1.00 1.64 H ATOM 228 HB2 PRO A 14 -0.555 -7.906 -13.319 1.00 3.59 H ATOM 229 HB3 PRO A 14 -0.668 -6.119 -13.363 1.00 4.19 H ATOM 230 HG2 PRO A 14 1.486 -7.833 -12.143 1.00 4.92 H ATOM 231 HG3 PRO A 14 1.646 -6.278 -13.013 1.00 5.74 H ATOM 232 HD2 PRO A 14 1.631 -6.633 -10.259 1.00 3.68 H ATOM 233 HD3 PRO A 14 1.256 -5.071 -11.065 1.00 3.81 H ATOM 234 N ARG A 15 -2.657 -8.624 -10.452 1.00 2.35 N ATOM 235 CA ARG A 15 -3.066 -9.900 -9.888 1.00 4.23 C ATOM 236 C ARG A 15 -4.326 -10.325 -10.630 1.00 4.90 C ATOM 237 O ARG A 15 -5.283 -9.558 -10.693 1.00 5.90 O ATOM 238 CB ARG A 15 -3.280 -9.782 -8.371 1.00 5.93 C ATOM 239 CG ARG A 15 -4.019 -8.489 -8.016 1.00 7.26 C ATOM 240 CD ARG A 15 -4.831 -8.588 -6.727 1.00 9.50 C ATOM 241 NE ARG A 15 -4.057 -8.245 -5.527 1.00 10.22 N ATOM 242 CZ ARG A 15 -4.603 -8.203 -4.304 1.00 12.22 C ATOM 243 NH1 ARG A 15 -5.889 -8.518 -4.139 1.00 13.59 N ATOM 244 NH2 ARG A 15 -3.886 -7.834 -3.246 1.00 13.07 N ATOM 245 H ARG A 15 -3.368 -7.907 -10.518 1.00 2.53 H ATOM 246 HA ARG A 15 -2.285 -10.632 -10.048 1.00 4.49 H ATOM 247 HB2 ARG A 15 -3.848 -10.650 -8.033 1.00 6.39 H ATOM 248 HB3 ARG A 15 -2.313 -9.787 -7.865 1.00 6.31 H ATOM 249 HG2 ARG A 15 -3.303 -7.675 -7.953 1.00 7.39 H ATOM 250 HG3 ARG A 15 -4.718 -8.248 -8.809 1.00 6.93 H ATOM 251 HD2 ARG A 15 -5.660 -7.884 -6.807 1.00 10.56 H ATOM 252 HD3 ARG A 15 -5.237 -9.596 -6.638 1.00 9.90 H ATOM 253 HE ARG A 15 -3.091 -7.964 -5.677 1.00 9.36 H ATOM 254 HH11 ARG A 15 -6.443 -8.791 -4.936 1.00 13.24 H ATOM 255 HH12 ARG A 15 -6.342 -8.479 -3.239 1.00 15.13 H ATOM 256 HH21 ARG A 15 -2.939 -7.481 -3.345 1.00 12.39 H ATOM 257 HH22 ARG A 15 -4.276 -7.770 -2.321 1.00 14.58 H ATOM 258 N THR A 16 -4.329 -11.510 -11.230 1.00 5.19 N ATOM 259 CA THR A 16 -5.480 -12.002 -11.969 1.00 6.18 C ATOM 260 C THR A 16 -5.580 -13.509 -11.733 1.00 7.60 C ATOM 261 O THR A 16 -4.561 -14.127 -11.419 1.00 7.89 O ATOM 262 CB THR A 16 -5.330 -11.654 -13.459 1.00 5.80 C ATOM 263 OG1 THR A 16 -4.060 -12.021 -13.952 1.00 5.88 O ATOM 264 CG2 THR A 16 -5.496 -10.152 -13.708 1.00 5.35 C ATOM 265 H THR A 16 -3.566 -12.166 -11.149 1.00 5.39 H ATOM 266 HA THR A 16 -6.384 -11.530 -11.585 1.00 6.95 H ATOM 267 HB THR A 16 -6.096 -12.186 -14.019 1.00 6.83 H ATOM 268 HG1 THR A 16 -3.384 -11.638 -13.390 1.00 5.98 H ATOM 269 HG21 THR A 16 -4.664 -9.595 -13.280 1.00 4.76 H ATOM 270 HG22 THR A 16 -5.524 -9.966 -14.783 1.00 5.89 H ATOM 271 HG23 THR A 16 -6.429 -9.802 -13.265 1.00 5.96 H ATOM 272 N PRO A 17 -6.789 -14.080 -11.802 1.00 8.96 N ATOM 273 CA PRO A 17 -6.999 -15.513 -11.696 1.00 10.46 C ATOM 274 C PRO A 17 -6.613 -16.199 -13.005 1.00 10.35 C ATOM 275 O PRO A 17 -6.662 -15.514 -14.051 1.00 9.87 O ATOM 276 CB PRO A 17 -8.492 -15.671 -11.416 1.00 11.89 C ATOM 277 CG PRO A 17 -9.102 -14.498 -12.184 1.00 11.16 C ATOM 278 CD PRO A 17 -8.049 -13.397 -12.042 1.00 9.51 C ATOM 279 OXT PRO A 17 -6.317 -17.410 -12.935 1.00 11.25 O ATOM 280 HA PRO A 17 -6.410 -15.936 -10.881 1.00 11.07 H ATOM 281 HB2 PRO A 17 -8.877 -16.630 -11.766 1.00 12.79 H ATOM 282 HB3 PRO A 17 -8.679 -15.547 -10.349 1.00 12.73 H ATOM 283 HG2 PRO A 17 -9.214 -14.765 -13.236 1.00 11.01 H ATOM 284 HG3 PRO A 17 -10.061 -14.195 -11.762 1.00 12.24 H ATOM 285 HD2 PRO A 17 -8.008 -12.800 -12.953 1.00 8.83 H ATOM 286 HD3 PRO A 17 -8.290 -12.769 -11.184 1.00 9.94 H TER 287 PRO A 17 ENDMDL MODEL 12 ATOM 1 N GLU A 1 -9.790 8.149 7.352 1.00 2.29 N ATOM 2 CA GLU A 1 -9.225 7.480 6.177 1.00 1.83 C ATOM 3 C GLU A 1 -7.764 7.273 6.489 1.00 1.84 C ATOM 4 O GLU A 1 -7.066 8.253 6.716 1.00 2.89 O ATOM 5 CB GLU A 1 -9.410 8.298 4.899 1.00 2.28 C ATOM 6 CG GLU A 1 -10.869 8.164 4.462 1.00 2.40 C ATOM 7 CD GLU A 1 -11.051 8.608 3.014 1.00 3.85 C ATOM 8 OE1 GLU A 1 -10.543 7.875 2.138 1.00 4.99 O ATOM 9 OE2 GLU A 1 -11.685 9.666 2.819 1.00 4.54 O ATOM 10 H1 GLU A 1 -9.017 8.639 7.791 1.00 2.55 H ATOM 11 H2 GLU A 1 -10.522 8.786 7.076 1.00 2.54 H ATOM 12 H3 GLU A 1 -10.139 7.459 8.001 1.00 2.28 H ATOM 13 HA GLU A 1 -9.706 6.513 6.028 1.00 1.51 H ATOM 14 HB2 GLU A 1 -9.159 9.346 5.075 1.00 2.77 H ATOM 15 HB3 GLU A 1 -8.756 7.893 4.126 1.00 2.64 H ATOM 16 HG2 GLU A 1 -11.170 7.118 4.547 1.00 2.80 H ATOM 17 HG3 GLU A 1 -11.501 8.757 5.125 1.00 2.26 H ATOM 18 N ASN A 2 -7.377 6.008 6.634 1.00 0.95 N ATOM 19 CA ASN A 2 -6.067 5.498 7.006 1.00 0.79 C ATOM 20 C ASN A 2 -4.985 6.572 7.171 1.00 0.51 C ATOM 21 O ASN A 2 -4.242 6.813 6.224 1.00 0.50 O ATOM 22 CB ASN A 2 -5.622 4.472 5.941 1.00 0.97 C ATOM 23 CG ASN A 2 -6.706 3.447 5.635 1.00 1.49 C ATOM 24 OD1 ASN A 2 -7.489 3.097 6.509 1.00 2.22 O ATOM 25 ND2 ASN A 2 -6.828 3.013 4.388 1.00 1.81 N ATOM 26 H ASN A 2 -8.068 5.278 6.519 1.00 1.16 H ATOM 27 HA ASN A 2 -6.209 4.991 7.956 1.00 0.85 H ATOM 28 HB2 ASN A 2 -5.383 5.003 5.018 1.00 1.47 H ATOM 29 HB3 ASN A 2 -4.730 3.951 6.286 1.00 1.20 H ATOM 30 HD21 ASN A 2 -6.225 3.338 3.648 1.00 1.96 H ATOM 31 HD22 ASN A 2 -7.580 2.371 4.194 1.00 2.31 H ATOM 32 N PRO A 3 -4.793 7.157 8.365 1.00 0.43 N ATOM 33 CA PRO A 3 -3.862 8.270 8.560 1.00 0.35 C ATOM 34 C PRO A 3 -2.382 7.883 8.473 1.00 0.36 C ATOM 35 O PRO A 3 -1.501 8.699 8.728 1.00 0.81 O ATOM 36 CB PRO A 3 -4.232 8.870 9.920 1.00 0.52 C ATOM 37 CG PRO A 3 -4.818 7.679 10.677 1.00 0.67 C ATOM 38 CD PRO A 3 -5.538 6.893 9.582 1.00 0.65 C ATOM 39 HA PRO A 3 -4.029 8.999 7.778 1.00 0.38 H ATOM 40 HB2 PRO A 3 -3.375 9.300 10.441 1.00 0.64 H ATOM 41 HB3 PRO A 3 -5.007 9.626 9.781 1.00 0.57 H ATOM 42 HG2 PRO A 3 -4.008 7.076 11.090 1.00 0.74 H ATOM 43 HG3 PRO A 3 -5.501 7.996 11.466 1.00 0.84 H ATOM 44 HD2 PRO A 3 -5.544 5.832 9.829 1.00 0.79 H ATOM 45 HD3 PRO A 3 -6.557 7.266 9.468 1.00 0.76 H ATOM 46 N VAL A 4 -2.114 6.645 8.080 1.00 0.27 N ATOM 47 CA VAL A 4 -0.796 6.068 7.896 1.00 0.22 C ATOM 48 C VAL A 4 -0.622 5.455 6.503 1.00 0.23 C ATOM 49 O VAL A 4 0.498 5.148 6.099 1.00 0.29 O ATOM 50 CB VAL A 4 -0.578 5.024 8.995 1.00 0.32 C ATOM 51 CG1 VAL A 4 -0.626 5.701 10.370 1.00 1.11 C ATOM 52 CG2 VAL A 4 -1.603 3.878 8.985 1.00 0.89 C ATOM 53 H VAL A 4 -2.910 6.045 8.004 1.00 0.67 H ATOM 54 HA VAL A 4 -0.043 6.850 8.007 1.00 0.26 H ATOM 55 HB VAL A 4 0.402 4.596 8.829 1.00 0.79 H ATOM 56 HG11 VAL A 4 -0.303 4.999 11.139 1.00 2.09 H ATOM 57 HG12 VAL A 4 0.036 6.567 10.379 1.00 2.25 H ATOM 58 HG13 VAL A 4 -1.641 6.031 10.592 1.00 1.94 H ATOM 59 HG21 VAL A 4 -1.538 3.323 9.921 1.00 1.89 H ATOM 60 HG22 VAL A 4 -2.621 4.250 8.877 1.00 1.71 H ATOM 61 HG23 VAL A 4 -1.383 3.185 8.181 1.00 1.69 H ATOM 62 N VAL A 5 -1.726 5.209 5.786 1.00 0.21 N ATOM 63 CA VAL A 5 -1.784 4.618 4.446 1.00 0.22 C ATOM 64 C VAL A 5 -1.063 3.275 4.349 1.00 0.17 C ATOM 65 O VAL A 5 -0.879 2.710 3.274 1.00 0.17 O ATOM 66 CB VAL A 5 -1.346 5.706 3.440 1.00 0.28 C ATOM 67 CG1 VAL A 5 -0.928 5.191 2.065 1.00 0.28 C ATOM 68 CG2 VAL A 5 -2.500 6.698 3.265 1.00 0.41 C ATOM 69 H VAL A 5 -2.591 5.555 6.155 1.00 0.27 H ATOM 70 HA VAL A 5 -2.814 4.341 4.243 1.00 0.27 H ATOM 71 HB VAL A 5 -0.494 6.249 3.850 1.00 0.31 H ATOM 72 HG11 VAL A 5 -0.773 6.025 1.383 1.00 1.60 H ATOM 73 HG12 VAL A 5 0.015 4.653 2.169 1.00 1.61 H ATOM 74 HG13 VAL A 5 -1.696 4.527 1.665 1.00 1.66 H ATOM 75 HG21 VAL A 5 -2.220 7.474 2.555 1.00 1.44 H ATOM 76 HG22 VAL A 5 -3.387 6.179 2.900 1.00 1.53 H ATOM 77 HG23 VAL A 5 -2.728 7.172 4.219 1.00 1.55 H ATOM 78 N HIS A 6 -0.707 2.701 5.491 1.00 0.16 N ATOM 79 CA HIS A 6 0.171 1.569 5.583 1.00 0.17 C ATOM 80 C HIS A 6 1.396 1.725 4.684 1.00 0.18 C ATOM 81 O HIS A 6 1.890 0.725 4.165 1.00 0.22 O ATOM 82 CB HIS A 6 -0.642 0.308 5.277 1.00 0.20 C ATOM 83 CG HIS A 6 -1.735 -0.006 6.263 1.00 0.33 C ATOM 84 ND1 HIS A 6 -2.905 -0.682 5.995 1.00 0.50 N ATOM 85 CD2 HIS A 6 -1.714 0.271 7.601 1.00 0.41 C ATOM 86 CE1 HIS A 6 -3.575 -0.800 7.155 1.00 0.61 C ATOM 87 NE2 HIS A 6 -2.890 -0.229 8.159 1.00 0.55 N ATOM 88 H HIS A 6 -0.940 3.151 6.352 1.00 0.19 H ATOM 89 HA HIS A 6 0.540 1.539 6.598 1.00 0.22 H ATOM 90 HB2 HIS A 6 -1.079 0.389 4.286 1.00 0.20 H ATOM 91 HB3 HIS A 6 0.037 -0.524 5.255 1.00 0.21 H ATOM 92 HD1 HIS A 6 -3.206 -1.037 5.099 1.00 0.57 H ATOM 93 HD2 HIS A 6 -0.918 0.772 8.123 1.00 0.44 H ATOM 94 HE1 HIS A 6 -4.531 -1.293 7.272 1.00 0.78 H ATOM 95 N PHE A 7 1.890 2.956 4.490 1.00 0.19 N ATOM 96 CA PHE A 7 3.005 3.292 3.606 1.00 0.23 C ATOM 97 C PHE A 7 2.847 2.798 2.160 1.00 0.23 C ATOM 98 O PHE A 7 3.796 2.859 1.385 1.00 0.30 O ATOM 99 CB PHE A 7 4.290 2.772 4.248 1.00 0.27 C ATOM 100 CG PHE A 7 5.202 3.856 4.788 1.00 0.37 C ATOM 101 CD1 PHE A 7 4.726 4.757 5.759 1.00 1.85 C ATOM 102 CD2 PHE A 7 6.526 3.967 4.322 1.00 1.86 C ATOM 103 CE1 PHE A 7 5.570 5.761 6.264 1.00 1.85 C ATOM 104 CE2 PHE A 7 7.371 4.968 4.830 1.00 1.91 C ATOM 105 CZ PHE A 7 6.894 5.866 5.801 1.00 0.59 C ATOM 106 H PHE A 7 1.476 3.735 4.981 1.00 0.20 H ATOM 107 HA PHE A 7 3.068 4.380 3.549 1.00 0.26 H ATOM 108 HB2 PHE A 7 4.038 2.091 5.057 1.00 0.29 H ATOM 109 HB3 PHE A 7 4.814 2.180 3.509 1.00 0.27 H ATOM 110 HD1 PHE A 7 3.710 4.684 6.119 1.00 3.21 H ATOM 111 HD2 PHE A 7 6.897 3.284 3.571 1.00 3.23 H ATOM 112 HE1 PHE A 7 5.203 6.455 7.006 1.00 3.20 H ATOM 113 HE2 PHE A 7 8.387 5.049 4.472 1.00 3.28 H ATOM 114 HZ PHE A 7 7.544 6.637 6.189 1.00 0.68 H ATOM 115 N PHE A 8 1.653 2.329 1.805 1.00 0.20 N ATOM 116 CA PHE A 8 1.258 1.737 0.537 1.00 0.24 C ATOM 117 C PHE A 8 2.370 0.878 -0.062 1.00 0.20 C ATOM 118 O PHE A 8 2.969 1.236 -1.071 1.00 0.27 O ATOM 119 CB PHE A 8 0.770 2.834 -0.418 1.00 0.33 C ATOM 120 CG PHE A 8 -0.059 2.312 -1.573 1.00 0.51 C ATOM 121 CD1 PHE A 8 -1.373 1.865 -1.337 1.00 2.08 C ATOM 122 CD2 PHE A 8 0.461 2.292 -2.881 1.00 1.54 C ATOM 123 CE1 PHE A 8 -2.168 1.414 -2.405 1.00 2.23 C ATOM 124 CE2 PHE A 8 -0.337 1.848 -3.949 1.00 1.55 C ATOM 125 CZ PHE A 8 -1.653 1.413 -3.713 1.00 0.97 C ATOM 126 H PHE A 8 0.970 2.324 2.540 1.00 0.21 H ATOM 127 HA PHE A 8 0.409 1.086 0.741 1.00 0.25 H ATOM 128 HB2 PHE A 8 0.143 3.528 0.139 1.00 0.38 H ATOM 129 HB3 PHE A 8 1.622 3.402 -0.793 1.00 0.34 H ATOM 130 HD1 PHE A 8 -1.778 1.884 -0.336 1.00 3.33 H ATOM 131 HD2 PHE A 8 1.474 2.622 -3.069 1.00 2.84 H ATOM 132 HE1 PHE A 8 -3.180 1.082 -2.222 1.00 3.56 H ATOM 133 HE2 PHE A 8 0.062 1.854 -4.953 1.00 2.77 H ATOM 134 HZ PHE A 8 -2.272 1.087 -4.536 1.00 1.16 H ATOM 135 N LYS A 9 2.634 -0.294 0.529 1.00 0.13 N ATOM 136 CA LYS A 9 3.669 -1.186 0.003 1.00 0.14 C ATOM 137 C LYS A 9 3.162 -1.990 -1.203 1.00 0.19 C ATOM 138 O LYS A 9 3.341 -3.203 -1.232 1.00 0.26 O ATOM 139 CB LYS A 9 4.201 -2.141 1.089 1.00 0.16 C ATOM 140 CG LYS A 9 5.198 -1.484 2.056 1.00 0.18 C ATOM 141 CD LYS A 9 4.504 -0.931 3.294 1.00 0.30 C ATOM 142 CE LYS A 9 3.989 -2.089 4.157 1.00 0.47 C ATOM 143 NZ LYS A 9 2.888 -1.647 5.029 1.00 1.14 N ATOM 144 H LYS A 9 2.101 -0.558 1.347 1.00 0.11 H ATOM 145 HA LYS A 9 4.499 -0.574 -0.340 1.00 0.17 H ATOM 146 HB2 LYS A 9 3.362 -2.595 1.615 1.00 0.22 H ATOM 147 HB3 LYS A 9 4.745 -2.950 0.607 1.00 0.23 H ATOM 148 HG2 LYS A 9 5.928 -2.228 2.377 1.00 0.25 H ATOM 149 HG3 LYS A 9 5.731 -0.681 1.547 1.00 0.27 H ATOM 150 HD2 LYS A 9 5.208 -0.334 3.874 1.00 0.37 H ATOM 151 HD3 LYS A 9 3.691 -0.292 2.965 1.00 0.38 H ATOM 152 HE2 LYS A 9 3.624 -2.890 3.515 1.00 0.94 H ATOM 153 HE3 LYS A 9 4.811 -2.486 4.756 1.00 1.15 H ATOM 154 HZ1 LYS A 9 3.218 -0.938 5.667 1.00 1.91 H ATOM 155 HZ2 LYS A 9 2.174 -1.216 4.453 1.00 1.69 H ATOM 156 HZ3 LYS A 9 2.498 -2.427 5.539 1.00 1.84 H ATOM 157 N ASN A 10 2.530 -1.348 -2.193 1.00 0.23 N ATOM 158 CA ASN A 10 2.050 -1.931 -3.431 1.00 0.29 C ATOM 159 C ASN A 10 1.503 -3.329 -3.209 1.00 0.27 C ATOM 160 O ASN A 10 1.877 -4.284 -3.879 1.00 0.33 O ATOM 161 CB ASN A 10 3.139 -1.873 -4.488 1.00 0.38 C ATOM 162 CG ASN A 10 3.396 -0.451 -4.912 1.00 0.66 C ATOM 163 OD1 ASN A 10 2.963 0.510 -4.290 1.00 1.34 O ATOM 164 ND2 ASN A 10 4.109 -0.307 -6.005 1.00 0.49 N ATOM 165 H ASN A 10 2.441 -0.346 -2.195 1.00 0.25 H ATOM 166 HA ASN A 10 1.248 -1.301 -3.813 1.00 0.31 H ATOM 167 HB2 ASN A 10 4.068 -2.289 -4.116 1.00 0.38 H ATOM 168 HB3 ASN A 10 2.810 -2.430 -5.358 1.00 0.58 H ATOM 169 HD21 ASN A 10 4.429 -1.100 -6.530 1.00 0.75 H ATOM 170 HD22 ASN A 10 4.343 0.635 -6.222 1.00 0.73 H ATOM 171 N ILE A 11 0.548 -3.428 -2.294 1.00 0.21 N ATOM 172 CA ILE A 11 -0.106 -4.677 -1.929 1.00 0.21 C ATOM 173 C ILE A 11 -1.283 -4.933 -2.880 1.00 0.21 C ATOM 174 O ILE A 11 -2.321 -5.451 -2.485 1.00 0.27 O ATOM 175 CB ILE A 11 -0.497 -4.692 -0.439 1.00 0.22 C ATOM 176 CG1 ILE A 11 -1.139 -3.367 -0.004 1.00 0.20 C ATOM 177 CG2 ILE A 11 0.719 -5.054 0.426 1.00 0.26 C ATOM 178 CD1 ILE A 11 -0.146 -2.336 0.557 1.00 0.16 C ATOM 179 H ILE A 11 0.263 -2.569 -1.858 1.00 0.19 H ATOM 180 HA ILE A 11 0.605 -5.479 -2.062 1.00 0.27 H ATOM 181 HB ILE A 11 -1.229 -5.485 -0.285 1.00 0.28 H ATOM 182 HG12 ILE A 11 -1.664 -2.944 -0.860 1.00 0.20 H ATOM 183 HG13 ILE A 11 -1.877 -3.582 0.766 1.00 0.25 H ATOM 184 HG21 ILE A 11 0.446 -5.020 1.481 1.00 1.39 H ATOM 185 HG22 ILE A 11 1.047 -6.066 0.186 1.00 1.55 H ATOM 186 HG23 ILE A 11 1.548 -4.372 0.238 1.00 1.58 H ATOM 187 HD11 ILE A 11 0.748 -2.270 -0.059 1.00 1.64 H ATOM 188 HD12 ILE A 11 -0.625 -1.359 0.598 1.00 1.64 H ATOM 189 HD13 ILE A 11 0.159 -2.625 1.562 1.00 1.59 H ATOM 190 N VAL A 12 -1.109 -4.564 -4.151 1.00 0.29 N ATOM 191 CA VAL A 12 -2.076 -4.790 -5.210 1.00 0.29 C ATOM 192 C VAL A 12 -1.329 -5.356 -6.419 1.00 0.24 C ATOM 193 O VAL A 12 -1.203 -6.574 -6.529 1.00 0.43 O ATOM 194 CB VAL A 12 -2.946 -3.530 -5.429 1.00 0.34 C ATOM 195 CG1 VAL A 12 -2.194 -2.209 -5.199 1.00 0.39 C ATOM 196 CG2 VAL A 12 -3.644 -3.494 -6.795 1.00 0.38 C ATOM 197 H VAL A 12 -0.231 -4.133 -4.400 1.00 0.38 H ATOM 198 HA VAL A 12 -2.747 -5.582 -4.881 1.00 0.32 H ATOM 199 HB VAL A 12 -3.735 -3.568 -4.677 1.00 0.42 H ATOM 200 HG11 VAL A 12 -1.918 -2.115 -4.148 1.00 1.53 H ATOM 201 HG12 VAL A 12 -1.301 -2.146 -5.815 1.00 1.52 H ATOM 202 HG13 VAL A 12 -2.851 -1.373 -5.444 1.00 1.69 H ATOM 203 HG21 VAL A 12 -2.948 -3.221 -7.586 1.00 1.69 H ATOM 204 HG22 VAL A 12 -4.079 -4.469 -7.017 1.00 1.43 H ATOM 205 HG23 VAL A 12 -4.443 -2.752 -6.774 1.00 1.68 H ATOM 206 N THR A 13 -0.741 -4.511 -7.271 1.00 0.47 N ATOM 207 CA THR A 13 -0.041 -4.904 -8.484 1.00 0.53 C ATOM 208 C THR A 13 -0.938 -5.739 -9.425 1.00 0.65 C ATOM 209 O THR A 13 -2.133 -5.885 -9.161 1.00 2.32 O ATOM 210 CB THR A 13 1.317 -5.514 -8.102 1.00 0.75 C ATOM 211 OG1 THR A 13 1.245 -6.906 -7.932 1.00 1.83 O ATOM 212 CG2 THR A 13 1.907 -4.957 -6.810 1.00 0.96 C ATOM 213 H THR A 13 -0.750 -3.523 -7.110 1.00 0.74 H ATOM 214 HA THR A 13 0.178 -3.981 -9.019 1.00 0.57 H ATOM 215 HB THR A 13 2.011 -5.257 -8.890 1.00 1.54 H ATOM 216 HG1 THR A 13 0.526 -7.071 -7.307 1.00 2.33 H ATOM 217 HG21 THR A 13 2.948 -5.268 -6.720 1.00 1.64 H ATOM 218 HG22 THR A 13 1.856 -3.871 -6.816 1.00 2.39 H ATOM 219 HG23 THR A 13 1.363 -5.358 -5.957 1.00 1.50 H ATOM 220 N PRO A 14 -0.441 -6.242 -10.567 1.00 1.17 N ATOM 221 CA PRO A 14 -1.278 -6.945 -11.529 1.00 1.16 C ATOM 222 C PRO A 14 -1.495 -8.398 -11.090 1.00 1.58 C ATOM 223 O PRO A 14 -0.917 -9.320 -11.660 1.00 2.96 O ATOM 224 CB PRO A 14 -0.523 -6.827 -12.856 1.00 3.20 C ATOM 225 CG PRO A 14 0.943 -6.801 -12.429 1.00 4.31 C ATOM 226 CD PRO A 14 0.910 -6.080 -11.081 1.00 3.13 C ATOM 227 HA PRO A 14 -2.248 -6.454 -11.625 1.00 1.62 H ATOM 228 HB2 PRO A 14 -0.735 -7.649 -13.540 1.00 3.41 H ATOM 229 HB3 PRO A 14 -0.775 -5.875 -13.326 1.00 4.08 H ATOM 230 HG2 PRO A 14 1.306 -7.819 -12.288 1.00 4.80 H ATOM 231 HG3 PRO A 14 1.566 -6.270 -13.150 1.00 5.72 H ATOM 232 HD2 PRO A 14 1.643 -6.549 -10.427 1.00 3.62 H ATOM 233 HD3 PRO A 14 1.129 -5.021 -11.216 1.00 3.76 H ATOM 234 N ARG A 15 -2.315 -8.613 -10.056 1.00 2.41 N ATOM 235 CA ARG A 15 -2.584 -9.941 -9.500 1.00 4.24 C ATOM 236 C ARG A 15 -3.776 -9.887 -8.548 1.00 5.78 C ATOM 237 O ARG A 15 -3.681 -10.309 -7.398 1.00 6.74 O ATOM 238 CB ARG A 15 -1.340 -10.514 -8.801 1.00 4.82 C ATOM 239 CG ARG A 15 -0.675 -9.469 -7.908 1.00 5.78 C ATOM 240 CD ARG A 15 0.590 -10.001 -7.235 1.00 6.81 C ATOM 241 NE ARG A 15 0.298 -10.634 -5.944 1.00 8.18 N ATOM 242 CZ ARG A 15 1.161 -10.701 -4.921 1.00 9.62 C ATOM 243 NH1 ARG A 15 2.410 -10.255 -5.065 1.00 9.97 N ATOM 244 NH2 ARG A 15 0.776 -11.209 -3.749 1.00 10.97 N ATOM 245 H ARG A 15 -2.725 -7.803 -9.604 1.00 2.51 H ATOM 246 HA ARG A 15 -2.827 -10.613 -10.316 1.00 4.57 H ATOM 247 HB2 ARG A 15 -1.615 -11.392 -8.218 1.00 5.41 H ATOM 248 HB3 ARG A 15 -0.625 -10.828 -9.558 1.00 4.54 H ATOM 249 HG2 ARG A 15 -0.386 -8.639 -8.542 1.00 5.61 H ATOM 250 HG3 ARG A 15 -1.383 -9.111 -7.162 1.00 6.35 H ATOM 251 HD2 ARG A 15 1.090 -10.709 -7.897 1.00 7.07 H ATOM 252 HD3 ARG A 15 1.254 -9.155 -7.069 1.00 6.75 H ATOM 253 HE ARG A 15 -0.649 -10.975 -5.845 1.00 8.23 H ATOM 254 HH11 ARG A 15 2.705 -9.878 -5.954 1.00 9.23 H ATOM 255 HH12 ARG A 15 3.085 -10.272 -4.316 1.00 11.15 H ATOM 256 HH21 ARG A 15 -0.169 -11.538 -3.616 1.00 11.06 H ATOM 257 HH22 ARG A 15 1.406 -11.266 -2.964 1.00 12.09 H ATOM 258 N THR A 16 -4.900 -9.365 -9.023 1.00 6.36 N ATOM 259 CA THR A 16 -6.131 -9.318 -8.247 1.00 8.11 C ATOM 260 C THR A 16 -7.297 -9.198 -9.233 1.00 9.21 C ATOM 261 O THR A 16 -7.092 -8.644 -10.317 1.00 8.67 O ATOM 262 CB THR A 16 -6.043 -8.144 -7.254 1.00 8.48 C ATOM 263 OG1 THR A 16 -6.926 -8.353 -6.176 1.00 9.71 O ATOM 264 CG2 THR A 16 -6.312 -6.778 -7.890 1.00 7.53 C ATOM 265 H THR A 16 -4.957 -9.047 -9.980 1.00 5.81 H ATOM 266 HA THR A 16 -6.218 -10.247 -7.684 1.00 8.67 H ATOM 267 HB THR A 16 -5.036 -8.121 -6.838 1.00 9.06 H ATOM 268 HG1 THR A 16 -7.077 -7.514 -5.735 1.00 10.73 H ATOM 269 HG21 THR A 16 -5.667 -6.640 -8.759 1.00 6.67 H ATOM 270 HG22 THR A 16 -7.356 -6.702 -8.201 1.00 7.63 H ATOM 271 HG23 THR A 16 -6.103 -5.989 -7.168 1.00 8.18 H ATOM 272 N PRO A 17 -8.478 -9.751 -8.921 1.00 10.87 N ATOM 273 CA PRO A 17 -9.680 -9.559 -9.716 1.00 12.16 C ATOM 274 C PRO A 17 -10.297 -8.185 -9.436 1.00 12.76 C ATOM 275 O PRO A 17 -9.883 -7.545 -8.443 1.00 13.06 O ATOM 276 CB PRO A 17 -10.620 -10.681 -9.274 1.00 13.69 C ATOM 277 CG PRO A 17 -10.271 -10.840 -7.795 1.00 13.64 C ATOM 278 CD PRO A 17 -8.766 -10.568 -7.755 1.00 11.75 C ATOM 279 OXT PRO A 17 -11.204 -7.817 -10.212 1.00 13.21 O ATOM 280 HA PRO A 17 -9.463 -9.641 -10.780 1.00 11.82 H ATOM 281 HB2 PRO A 17 -11.670 -10.423 -9.420 1.00 14.90 H ATOM 282 HB3 PRO A 17 -10.370 -11.596 -9.811 1.00 13.62 H ATOM 283 HG2 PRO A 17 -10.796 -10.081 -7.211 1.00 14.29 H ATOM 284 HG3 PRO A 17 -10.510 -11.839 -7.429 1.00 14.37 H ATOM 285 HD2 PRO A 17 -8.511 -10.052 -6.831 1.00 11.64 H ATOM 286 HD3 PRO A 17 -8.220 -11.509 -7.830 1.00 11.40 H TER 287 PRO A 17 ENDMDL MODEL 13 ATOM 1 N GLU A 1 -9.702 7.947 7.706 1.00 2.09 N ATOM 2 CA GLU A 1 -9.224 7.661 6.347 1.00 1.81 C ATOM 3 C GLU A 1 -7.746 7.328 6.465 1.00 1.88 C ATOM 4 O GLU A 1 -6.932 8.237 6.410 1.00 3.08 O ATOM 5 CB GLU A 1 -9.493 8.874 5.449 1.00 2.02 C ATOM 6 CG GLU A 1 -9.323 8.528 3.968 1.00 2.92 C ATOM 7 CD GLU A 1 -9.427 9.776 3.089 1.00 3.98 C ATOM 8 OE1 GLU A 1 -10.061 10.750 3.553 1.00 4.23 O ATOM 9 OE2 GLU A 1 -8.880 9.727 1.968 1.00 5.15 O ATOM 10 H1 GLU A 1 -9.039 8.579 8.135 1.00 2.38 H ATOM 11 H2 GLU A 1 -10.617 8.373 7.667 1.00 2.11 H ATOM 12 H3 GLU A 1 -9.736 7.095 8.247 1.00 2.12 H ATOM 13 HA GLU A 1 -9.753 6.802 5.934 1.00 1.60 H ATOM 14 HB2 GLU A 1 -10.522 9.196 5.615 1.00 2.61 H ATOM 15 HB3 GLU A 1 -8.832 9.695 5.727 1.00 2.22 H ATOM 16 HG2 GLU A 1 -8.354 8.054 3.812 1.00 3.52 H ATOM 17 HG3 GLU A 1 -10.105 7.823 3.681 1.00 3.22 H ATOM 18 N ASN A 2 -7.440 6.061 6.776 1.00 0.91 N ATOM 19 CA ASN A 2 -6.108 5.531 7.080 1.00 0.77 C ATOM 20 C ASN A 2 -5.008 6.589 7.214 1.00 0.50 C ATOM 21 O ASN A 2 -4.244 6.797 6.276 1.00 0.49 O ATOM 22 CB ASN A 2 -5.692 4.451 6.064 1.00 0.91 C ATOM 23 CG ASN A 2 -5.868 4.829 4.602 1.00 2.39 C ATOM 24 OD1 ASN A 2 -4.926 5.205 3.922 1.00 4.28 O ATOM 25 ND2 ASN A 2 -7.061 4.663 4.058 1.00 2.59 N ATOM 26 H ASN A 2 -8.183 5.383 6.839 1.00 1.23 H ATOM 27 HA ASN A 2 -6.191 5.034 8.042 1.00 0.83 H ATOM 28 HB2 ASN A 2 -4.640 4.229 6.182 1.00 1.59 H ATOM 29 HB3 ASN A 2 -6.222 3.532 6.281 1.00 1.45 H ATOM 30 HD21 ASN A 2 -7.850 4.266 4.536 1.00 2.84 H ATOM 31 HD22 ASN A 2 -7.091 4.912 3.087 1.00 3.58 H ATOM 32 N PRO A 3 -4.815 7.179 8.406 1.00 0.43 N ATOM 33 CA PRO A 3 -3.847 8.254 8.610 1.00 0.36 C ATOM 34 C PRO A 3 -2.388 7.784 8.574 1.00 0.37 C ATOM 35 O PRO A 3 -1.485 8.518 8.964 1.00 0.78 O ATOM 36 CB PRO A 3 -4.231 8.876 9.956 1.00 0.53 C ATOM 37 CG PRO A 3 -4.832 7.698 10.721 1.00 0.67 C ATOM 38 CD PRO A 3 -5.554 6.912 9.627 1.00 0.64 C ATOM 39 HA PRO A 3 -3.961 8.987 7.819 1.00 0.41 H ATOM 40 HB2 PRO A 3 -3.380 9.309 10.484 1.00 0.65 H ATOM 41 HB3 PRO A 3 -5.002 9.631 9.798 1.00 0.58 H ATOM 42 HG2 PRO A 3 -4.030 7.088 11.140 1.00 0.74 H ATOM 43 HG3 PRO A 3 -5.517 8.025 11.503 1.00 0.84 H ATOM 44 HD2 PRO A 3 -5.550 5.851 9.876 1.00 0.78 H ATOM 45 HD3 PRO A 3 -6.576 7.279 9.519 1.00 0.75 H ATOM 46 N VAL A 4 -2.153 6.569 8.086 1.00 0.29 N ATOM 47 CA VAL A 4 -0.846 5.953 7.948 1.00 0.28 C ATOM 48 C VAL A 4 -0.610 5.386 6.547 1.00 0.28 C ATOM 49 O VAL A 4 0.517 5.028 6.209 1.00 0.41 O ATOM 50 CB VAL A 4 -0.723 4.854 9.007 1.00 0.34 C ATOM 51 CG1 VAL A 4 -0.739 5.473 10.409 1.00 1.07 C ATOM 52 CG2 VAL A 4 -1.817 3.777 8.917 1.00 0.96 C ATOM 53 H VAL A 4 -2.959 6.009 7.871 1.00 0.63 H ATOM 54 HA VAL A 4 -0.073 6.701 8.132 1.00 0.36 H ATOM 55 HB VAL A 4 0.229 4.369 8.837 1.00 0.79 H ATOM 56 HG11 VAL A 4 0.015 6.259 10.472 1.00 1.99 H ATOM 57 HG12 VAL A 4 -1.717 5.904 10.622 1.00 2.00 H ATOM 58 HG13 VAL A 4 -0.515 4.708 11.153 1.00 2.01 H ATOM 59 HG21 VAL A 4 -1.895 3.250 9.869 1.00 1.91 H ATOM 60 HG22 VAL A 4 -2.791 4.201 8.683 1.00 1.80 H ATOM 61 HG23 VAL A 4 -1.554 3.048 8.157 1.00 1.73 H ATOM 62 N VAL A 5 -1.669 5.225 5.746 1.00 0.21 N ATOM 63 CA VAL A 5 -1.651 4.672 4.391 1.00 0.25 C ATOM 64 C VAL A 5 -1.033 3.284 4.299 1.00 0.15 C ATOM 65 O VAL A 5 -0.864 2.729 3.216 1.00 0.17 O ATOM 66 CB VAL A 5 -1.085 5.755 3.446 1.00 0.38 C ATOM 67 CG1 VAL A 5 -0.628 5.257 2.075 1.00 0.41 C ATOM 68 CG2 VAL A 5 -2.155 6.831 3.231 1.00 0.54 C ATOM 69 H VAL A 5 -2.547 5.610 6.037 1.00 0.26 H ATOM 70 HA VAL A 5 -2.669 4.455 4.108 1.00 0.29 H ATOM 71 HB VAL A 5 -0.224 6.227 3.920 1.00 0.44 H ATOM 72 HG11 VAL A 5 0.265 4.646 2.201 1.00 1.50 H ATOM 73 HG12 VAL A 5 -1.420 4.669 1.610 1.00 1.17 H ATOM 74 HG13 VAL A 5 -0.379 6.102 1.434 1.00 1.49 H ATOM 75 HG21 VAL A 5 -2.514 7.206 4.189 1.00 1.57 H ATOM 76 HG22 VAL A 5 -1.739 7.663 2.664 1.00 1.75 H ATOM 77 HG23 VAL A 5 -2.996 6.410 2.680 1.00 1.20 H ATOM 78 N HIS A 6 -0.743 2.665 5.441 1.00 0.17 N ATOM 79 CA HIS A 6 0.098 1.502 5.510 1.00 0.21 C ATOM 80 C HIS A 6 1.303 1.654 4.586 1.00 0.18 C ATOM 81 O HIS A 6 1.699 0.684 3.945 1.00 0.24 O ATOM 82 CB HIS A 6 -0.751 0.276 5.172 1.00 0.26 C ATOM 83 CG HIS A 6 -1.848 -0.044 6.153 1.00 0.38 C ATOM 84 ND1 HIS A 6 -3.005 -0.739 5.879 1.00 0.55 N ATOM 85 CD2 HIS A 6 -1.839 0.239 7.489 1.00 0.45 C ATOM 86 CE1 HIS A 6 -3.680 -0.864 7.037 1.00 0.66 C ATOM 87 NE2 HIS A 6 -3.012 -0.278 8.043 1.00 0.59 N ATOM 88 H HIS A 6 -0.963 3.107 6.311 1.00 0.20 H ATOM 89 HA HIS A 6 0.482 1.429 6.521 1.00 0.28 H ATOM 90 HB2 HIS A 6 -1.186 0.395 4.184 1.00 0.26 H ATOM 91 HB3 HIS A 6 -0.091 -0.568 5.130 1.00 0.31 H ATOM 92 HD1 HIS A 6 -3.296 -1.097 4.982 1.00 0.62 H ATOM 93 HD2 HIS A 6 -1.052 0.754 8.011 1.00 0.46 H ATOM 94 HE1 HIS A 6 -4.627 -1.372 7.149 1.00 0.82 H ATOM 95 N PHE A 7 1.862 2.868 4.486 1.00 0.22 N ATOM 96 CA PHE A 7 2.969 3.235 3.613 1.00 0.24 C ATOM 97 C PHE A 7 2.810 2.889 2.126 1.00 0.21 C ATOM 98 O PHE A 7 3.746 3.090 1.362 1.00 0.30 O ATOM 99 CB PHE A 7 4.242 2.624 4.189 1.00 0.30 C ATOM 100 CG PHE A 7 5.145 3.659 4.810 1.00 0.44 C ATOM 101 CD1 PHE A 7 5.999 4.409 3.985 1.00 1.56 C ATOM 102 CD2 PHE A 7 5.088 3.910 6.191 1.00 2.02 C ATOM 103 CE1 PHE A 7 6.826 5.396 4.549 1.00 1.52 C ATOM 104 CE2 PHE A 7 5.927 4.885 6.757 1.00 2.12 C ATOM 105 CZ PHE A 7 6.798 5.627 5.937 1.00 0.71 C ATOM 106 H PHE A 7 1.511 3.616 5.068 1.00 0.29 H ATOM 107 HA PHE A 7 3.067 4.321 3.658 1.00 0.33 H ATOM 108 HB2 PHE A 7 3.990 1.863 4.925 1.00 0.35 H ATOM 109 HB3 PHE A 7 4.775 2.117 3.394 1.00 0.24 H ATOM 110 HD1 PHE A 7 6.000 4.224 2.919 1.00 2.88 H ATOM 111 HD2 PHE A 7 4.389 3.359 6.805 1.00 3.28 H ATOM 112 HE1 PHE A 7 7.479 5.980 3.916 1.00 2.78 H ATOM 113 HE2 PHE A 7 5.900 5.074 7.821 1.00 3.46 H ATOM 114 HZ PHE A 7 7.438 6.382 6.371 1.00 0.82 H ATOM 115 N PHE A 8 1.647 2.383 1.718 1.00 0.18 N ATOM 116 CA PHE A 8 1.360 1.818 0.410 1.00 0.24 C ATOM 117 C PHE A 8 2.514 0.941 -0.075 1.00 0.23 C ATOM 118 O PHE A 8 3.226 1.281 -1.013 1.00 0.33 O ATOM 119 CB PHE A 8 0.984 2.926 -0.582 1.00 0.34 C ATOM 120 CG PHE A 8 0.389 2.404 -1.877 1.00 0.49 C ATOM 121 CD1 PHE A 8 -0.984 2.106 -1.951 1.00 1.63 C ATOM 122 CD2 PHE A 8 1.201 2.210 -3.010 1.00 2.12 C ATOM 123 CE1 PHE A 8 -1.543 1.636 -3.154 1.00 1.62 C ATOM 124 CE2 PHE A 8 0.646 1.728 -4.207 1.00 2.26 C ATOM 125 CZ PHE A 8 -0.728 1.447 -4.283 1.00 0.89 C ATOM 126 H PHE A 8 0.947 2.266 2.430 1.00 0.15 H ATOM 127 HA PHE A 8 0.482 1.181 0.522 1.00 0.25 H ATOM 128 HB2 PHE A 8 0.248 3.580 -0.114 1.00 0.33 H ATOM 129 HB3 PHE A 8 1.864 3.532 -0.801 1.00 0.41 H ATOM 130 HD1 PHE A 8 -1.614 2.247 -1.086 1.00 3.00 H ATOM 131 HD2 PHE A 8 2.260 2.423 -2.964 1.00 3.44 H ATOM 132 HE1 PHE A 8 -2.602 1.430 -3.213 1.00 2.92 H ATOM 133 HE2 PHE A 8 1.285 1.587 -5.068 1.00 3.65 H ATOM 134 HZ PHE A 8 -1.156 1.095 -5.210 1.00 1.06 H ATOM 135 N LYS A 9 2.691 -0.240 0.525 1.00 0.15 N ATOM 136 CA LYS A 9 3.701 -1.176 0.022 1.00 0.14 C ATOM 137 C LYS A 9 3.164 -1.977 -1.169 1.00 0.19 C ATOM 138 O LYS A 9 3.239 -3.200 -1.145 1.00 0.25 O ATOM 139 CB LYS A 9 4.185 -2.134 1.123 1.00 0.15 C ATOM 140 CG LYS A 9 5.109 -1.496 2.164 1.00 0.21 C ATOM 141 CD LYS A 9 4.388 -0.878 3.359 1.00 0.34 C ATOM 142 CE LYS A 9 3.712 -1.929 4.257 1.00 0.44 C ATOM 143 NZ LYS A 9 2.272 -2.122 3.979 1.00 1.40 N ATOM 144 H LYS A 9 2.082 -0.488 1.293 1.00 0.14 H ATOM 145 HA LYS A 9 4.561 -0.609 -0.338 1.00 0.14 H ATOM 146 HB2 LYS A 9 3.341 -2.636 1.589 1.00 0.24 H ATOM 147 HB3 LYS A 9 4.775 -2.905 0.642 1.00 0.22 H ATOM 148 HG2 LYS A 9 5.785 -2.263 2.544 1.00 0.24 H ATOM 149 HG3 LYS A 9 5.715 -0.730 1.679 1.00 0.29 H ATOM 150 HD2 LYS A 9 5.140 -0.367 3.963 1.00 0.44 H ATOM 151 HD3 LYS A 9 3.686 -0.129 3.007 1.00 0.33 H ATOM 152 HE2 LYS A 9 4.235 -2.880 4.147 1.00 0.78 H ATOM 153 HE3 LYS A 9 3.814 -1.597 5.291 1.00 1.01 H ATOM 154 HZ1 LYS A 9 1.802 -1.227 4.007 1.00 1.91 H ATOM 155 HZ2 LYS A 9 2.129 -2.544 3.076 1.00 2.42 H ATOM 156 HZ3 LYS A 9 1.864 -2.718 4.686 1.00 1.83 H ATOM 157 N ASN A 10 2.608 -1.314 -2.190 1.00 0.23 N ATOM 158 CA ASN A 10 2.102 -1.882 -3.433 1.00 0.31 C ATOM 159 C ASN A 10 1.507 -3.267 -3.223 1.00 0.31 C ATOM 160 O ASN A 10 1.891 -4.238 -3.863 1.00 0.35 O ATOM 161 CB ASN A 10 3.193 -1.891 -4.497 1.00 0.35 C ATOM 162 CG ASN A 10 3.634 -0.501 -4.877 1.00 0.65 C ATOM 163 OD1 ASN A 10 3.534 0.449 -4.117 1.00 1.50 O ATOM 164 ND2 ASN A 10 4.159 -0.367 -6.073 1.00 0.44 N ATOM 165 H ASN A 10 2.630 -0.305 -2.201 1.00 0.26 H ATOM 166 HA ASN A 10 1.321 -1.224 -3.814 1.00 0.35 H ATOM 167 HB2 ASN A 10 4.073 -2.418 -4.149 1.00 0.35 H ATOM 168 HB3 ASN A 10 2.800 -2.389 -5.380 1.00 0.61 H ATOM 169 HD21 ASN A 10 4.242 -1.135 -6.713 1.00 0.90 H ATOM 170 HD22 ASN A 10 4.559 0.532 -6.231 1.00 0.67 H ATOM 171 N ILE A 11 0.516 -3.344 -2.342 1.00 0.29 N ATOM 172 CA ILE A 11 -0.124 -4.596 -1.958 1.00 0.27 C ATOM 173 C ILE A 11 -1.248 -4.965 -2.940 1.00 0.23 C ATOM 174 O ILE A 11 -2.071 -5.831 -2.650 1.00 0.57 O ATOM 175 CB ILE A 11 -0.569 -4.562 -0.482 1.00 0.28 C ATOM 176 CG1 ILE A 11 -1.141 -3.199 -0.063 1.00 0.26 C ATOM 177 CG2 ILE A 11 0.601 -4.964 0.425 1.00 0.28 C ATOM 178 CD1 ILE A 11 -0.109 -2.215 0.521 1.00 0.20 C ATOM 179 H ILE A 11 0.236 -2.482 -1.911 1.00 0.27 H ATOM 180 HA ILE A 11 0.618 -5.380 -2.027 1.00 0.30 H ATOM 181 HB ILE A 11 -1.349 -5.311 -0.339 1.00 0.34 H ATOM 182 HG12 ILE A 11 -1.630 -2.756 -0.930 1.00 0.27 H ATOM 183 HG13 ILE A 11 -1.904 -3.375 0.693 1.00 0.29 H ATOM 184 HG21 ILE A 11 1.455 -4.308 0.260 1.00 1.51 H ATOM 185 HG22 ILE A 11 0.292 -4.916 1.468 1.00 1.43 H ATOM 186 HG23 ILE A 11 0.903 -5.987 0.199 1.00 1.45 H ATOM 187 HD11 ILE A 11 -0.564 -1.229 0.613 1.00 1.28 H ATOM 188 HD12 ILE A 11 0.215 -2.544 1.510 1.00 1.14 H ATOM 189 HD13 ILE A 11 0.773 -2.135 -0.110 1.00 1.20 H ATOM 190 N VAL A 12 -1.252 -4.337 -4.121 1.00 0.50 N ATOM 191 CA VAL A 12 -2.203 -4.580 -5.190 1.00 0.47 C ATOM 192 C VAL A 12 -1.457 -5.276 -6.330 1.00 0.33 C ATOM 193 O VAL A 12 -1.399 -6.497 -6.309 1.00 0.50 O ATOM 194 CB VAL A 12 -3.003 -3.299 -5.519 1.00 0.53 C ATOM 195 CG1 VAL A 12 -2.189 -2.005 -5.353 1.00 0.54 C ATOM 196 CG2 VAL A 12 -3.664 -3.323 -6.904 1.00 0.52 C ATOM 197 H VAL A 12 -0.502 -3.699 -4.325 1.00 0.80 H ATOM 198 HA VAL A 12 -2.928 -5.307 -4.830 1.00 0.56 H ATOM 199 HB VAL A 12 -3.813 -3.248 -4.788 1.00 0.65 H ATOM 200 HG11 VAL A 12 -1.282 -2.029 -5.952 1.00 1.61 H ATOM 201 HG12 VAL A 12 -2.798 -1.156 -5.666 1.00 1.83 H ATOM 202 HG13 VAL A 12 -1.933 -1.858 -4.303 1.00 1.47 H ATOM 203 HG21 VAL A 12 -2.936 -3.142 -7.692 1.00 1.77 H ATOM 204 HG22 VAL A 12 -4.146 -4.288 -7.071 1.00 1.32 H ATOM 205 HG23 VAL A 12 -4.424 -2.542 -6.957 1.00 1.76 H ATOM 206 N THR A 13 -0.815 -4.541 -7.244 1.00 0.48 N ATOM 207 CA THR A 13 -0.071 -5.060 -8.388 1.00 0.50 C ATOM 208 C THR A 13 -0.939 -5.885 -9.361 1.00 0.59 C ATOM 209 O THR A 13 -2.134 -6.074 -9.124 1.00 2.24 O ATOM 210 CB THR A 13 1.243 -5.725 -7.931 1.00 0.79 C ATOM 211 OG1 THR A 13 1.180 -7.135 -7.927 1.00 1.95 O ATOM 212 CG2 THR A 13 1.739 -5.271 -6.560 1.00 0.77 C ATOM 213 H THR A 13 -0.824 -3.542 -7.177 1.00 0.80 H ATOM 214 HA THR A 13 0.231 -4.178 -8.952 1.00 0.51 H ATOM 215 HB THR A 13 1.999 -5.404 -8.638 1.00 1.46 H ATOM 216 HG1 THR A 13 2.056 -7.476 -7.733 1.00 1.85 H ATOM 217 HG21 THR A 13 1.719 -4.184 -6.500 1.00 2.20 H ATOM 218 HG22 THR A 13 1.117 -5.697 -5.772 1.00 1.84 H ATOM 219 HG23 THR A 13 2.763 -5.610 -6.406 1.00 1.37 H ATOM 220 N PRO A 14 -0.404 -6.312 -10.521 1.00 1.21 N ATOM 221 CA PRO A 14 -1.187 -7.032 -11.511 1.00 1.24 C ATOM 222 C PRO A 14 -1.397 -8.476 -11.050 1.00 1.65 C ATOM 223 O PRO A 14 -0.606 -9.366 -11.357 1.00 3.12 O ATOM 224 CB PRO A 14 -0.391 -6.931 -12.815 1.00 3.31 C ATOM 225 CG PRO A 14 1.055 -6.817 -12.342 1.00 4.39 C ATOM 226 CD PRO A 14 0.946 -6.076 -11.009 1.00 3.14 C ATOM 227 HA PRO A 14 -2.158 -6.555 -11.649 1.00 1.61 H ATOM 228 HB2 PRO A 14 -0.540 -7.794 -13.464 1.00 3.59 H ATOM 229 HB3 PRO A 14 -0.671 -6.015 -13.335 1.00 4.16 H ATOM 230 HG2 PRO A 14 1.467 -7.813 -12.170 1.00 4.90 H ATOM 231 HG3 PRO A 14 1.671 -6.270 -13.056 1.00 5.77 H ATOM 232 HD2 PRO A 14 1.694 -6.484 -10.333 1.00 3.61 H ATOM 233 HD3 PRO A 14 1.101 -5.008 -11.162 1.00 3.71 H ATOM 234 N ARG A 15 -2.474 -8.705 -10.300 1.00 2.35 N ATOM 235 CA ARG A 15 -2.830 -10.008 -9.749 1.00 4.21 C ATOM 236 C ARG A 15 -4.337 -10.055 -9.519 1.00 5.45 C ATOM 237 O ARG A 15 -4.799 -10.025 -8.380 1.00 6.62 O ATOM 238 CB ARG A 15 -2.066 -10.259 -8.441 1.00 5.31 C ATOM 239 CG ARG A 15 -2.134 -9.008 -7.562 1.00 6.52 C ATOM 240 CD ARG A 15 -2.248 -9.308 -6.068 1.00 8.48 C ATOM 241 NE ARG A 15 -0.940 -9.577 -5.458 1.00 8.78 N ATOM 242 CZ ARG A 15 -0.662 -9.398 -4.160 1.00 10.51 C ATOM 243 NH1 ARG A 15 -1.613 -8.992 -3.318 1.00 12.02 N ATOM 244 NH2 ARG A 15 0.569 -9.630 -3.704 1.00 10.96 N ATOM 245 H ARG A 15 -3.027 -7.901 -10.025 1.00 2.45 H ATOM 246 HA ARG A 15 -2.552 -10.785 -10.454 1.00 4.42 H ATOM 247 HB2 ARG A 15 -2.501 -11.117 -7.927 1.00 5.85 H ATOM 248 HB3 ARG A 15 -1.023 -10.485 -8.663 1.00 5.23 H ATOM 249 HG2 ARG A 15 -1.250 -8.409 -7.771 1.00 6.49 H ATOM 250 HG3 ARG A 15 -3.006 -8.417 -7.832 1.00 6.43 H ATOM 251 HD2 ARG A 15 -2.690 -8.429 -5.601 1.00 9.60 H ATOM 252 HD3 ARG A 15 -2.919 -10.153 -5.912 1.00 8.96 H ATOM 253 HE ARG A 15 -0.206 -9.812 -6.110 1.00 7.78 H ATOM 254 HH11 ARG A 15 -2.526 -8.762 -3.678 1.00 11.95 H ATOM 255 HH12 ARG A 15 -1.437 -8.782 -2.348 1.00 13.37 H ATOM 256 HH21 ARG A 15 1.303 -9.926 -4.331 1.00 10.15 H ATOM 257 HH22 ARG A 15 0.799 -9.516 -2.729 1.00 12.31 H ATOM 258 N THR A 16 -5.114 -10.105 -10.593 1.00 5.58 N ATOM 259 CA THR A 16 -6.562 -10.044 -10.517 1.00 7.05 C ATOM 260 C THR A 16 -7.125 -11.134 -11.418 1.00 7.97 C ATOM 261 O THR A 16 -6.465 -11.495 -12.394 1.00 7.40 O ATOM 262 CB THR A 16 -7.024 -8.651 -10.963 1.00 6.85 C ATOM 263 OG1 THR A 16 -6.480 -8.350 -12.232 1.00 6.27 O ATOM 264 CG2 THR A 16 -6.557 -7.575 -9.977 1.00 6.34 C ATOM 265 H THR A 16 -4.734 -10.140 -11.529 1.00 4.96 H ATOM 266 HA THR A 16 -6.890 -10.220 -9.493 1.00 8.00 H ATOM 267 HB THR A 16 -8.112 -8.628 -11.021 1.00 8.08 H ATOM 268 HG1 THR A 16 -6.909 -8.929 -12.876 1.00 6.78 H ATOM 269 HG21 THR A 16 -5.472 -7.485 -9.997 1.00 5.70 H ATOM 270 HG22 THR A 16 -6.992 -6.615 -10.256 1.00 6.64 H ATOM 271 HG23 THR A 16 -6.879 -7.833 -8.968 1.00 6.94 H ATOM 272 N PRO A 17 -8.314 -11.660 -11.105 1.00 9.63 N ATOM 273 CA PRO A 17 -9.024 -12.552 -11.999 1.00 10.66 C ATOM 274 C PRO A 17 -9.546 -11.759 -13.201 1.00 10.41 C ATOM 275 O PRO A 17 -9.498 -10.508 -13.137 1.00 10.27 O ATOM 276 CB PRO A 17 -10.161 -13.125 -11.153 1.00 12.49 C ATOM 277 CG PRO A 17 -10.501 -11.964 -10.220 1.00 12.51 C ATOM 278 CD PRO A 17 -9.144 -11.304 -9.967 1.00 10.78 C ATOM 279 OXT PRO A 17 -10.002 -12.427 -14.153 1.00 10.74 O ATOM 280 HA PRO A 17 -8.371 -13.350 -12.354 1.00 10.58 H ATOM 281 HB2 PRO A 17 -11.015 -13.428 -11.760 1.00 13.36 H ATOM 282 HB3 PRO A 17 -9.786 -13.967 -10.568 1.00 12.99 H ATOM 283 HG2 PRO A 17 -11.159 -11.264 -10.736 1.00 12.65 H ATOM 284 HG3 PRO A 17 -10.959 -12.311 -9.293 1.00 13.67 H ATOM 285 HD2 PRO A 17 -9.267 -10.224 -9.889 1.00 10.42 H ATOM 286 HD3 PRO A 17 -8.701 -11.704 -9.056 1.00 11.04 H TER 287 PRO A 17 ENDMDL MODEL 14 ATOM 1 N GLU A 1 -9.937 8.057 11.134 1.00 3.57 N ATOM 2 CA GLU A 1 -9.417 7.759 9.790 1.00 3.27 C ATOM 3 C GLU A 1 -8.128 7.000 10.005 1.00 3.07 C ATOM 4 O GLU A 1 -7.744 6.801 11.155 1.00 3.80 O ATOM 5 CB GLU A 1 -9.162 9.022 8.944 1.00 3.17 C ATOM 6 CG GLU A 1 -10.442 9.744 8.507 1.00 3.62 C ATOM 7 CD GLU A 1 -10.886 10.795 9.523 1.00 4.91 C ATOM 8 OE1 GLU A 1 -11.084 10.384 10.688 1.00 5.89 O ATOM 9 OE2 GLU A 1 -10.991 11.974 9.133 1.00 5.38 O ATOM 10 H1 GLU A 1 -9.232 8.604 11.607 1.00 3.51 H ATOM 11 H2 GLU A 1 -10.810 8.561 11.096 1.00 3.66 H ATOM 12 H3 GLU A 1 -10.043 7.196 11.648 1.00 3.82 H ATOM 13 HA GLU A 1 -10.102 7.100 9.257 1.00 3.36 H ATOM 14 HB2 GLU A 1 -8.509 9.707 9.487 1.00 3.45 H ATOM 15 HB3 GLU A 1 -8.642 8.723 8.034 1.00 2.87 H ATOM 16 HG2 GLU A 1 -10.249 10.236 7.552 1.00 3.86 H ATOM 17 HG3 GLU A 1 -11.235 9.010 8.357 1.00 3.38 H ATOM 18 N ASN A 2 -7.451 6.604 8.931 1.00 2.31 N ATOM 19 CA ASN A 2 -6.174 5.935 9.047 1.00 2.02 C ATOM 20 C ASN A 2 -5.123 6.830 8.398 1.00 1.26 C ATOM 21 O ASN A 2 -4.874 6.679 7.203 1.00 1.09 O ATOM 22 CB ASN A 2 -6.241 4.569 8.345 1.00 2.32 C ATOM 23 CG ASN A 2 -6.841 3.483 9.224 1.00 3.81 C ATOM 24 OD1 ASN A 2 -6.615 3.456 10.426 1.00 4.78 O ATOM 25 ND2 ASN A 2 -7.595 2.559 8.645 1.00 4.44 N ATOM 26 H ASN A 2 -7.771 6.827 7.999 1.00 2.26 H ATOM 27 HA ASN A 2 -5.933 5.791 10.101 1.00 2.25 H ATOM 28 HB2 ASN A 2 -6.800 4.661 7.413 1.00 2.60 H ATOM 29 HB3 ASN A 2 -5.234 4.254 8.094 1.00 1.93 H ATOM 30 HD21 ASN A 2 -7.764 2.551 7.653 1.00 4.16 H ATOM 31 HD22 ASN A 2 -7.948 1.826 9.241 1.00 5.47 H ATOM 32 N PRO A 3 -4.498 7.753 9.149 1.00 1.12 N ATOM 33 CA PRO A 3 -3.465 8.649 8.641 1.00 0.74 C ATOM 34 C PRO A 3 -2.118 7.919 8.577 1.00 0.53 C ATOM 35 O PRO A 3 -1.134 8.323 9.192 1.00 0.99 O ATOM 36 CB PRO A 3 -3.462 9.823 9.627 1.00 1.36 C ATOM 37 CG PRO A 3 -3.809 9.148 10.954 1.00 1.83 C ATOM 38 CD PRO A 3 -4.807 8.070 10.535 1.00 1.73 C ATOM 39 HA PRO A 3 -3.725 9.010 7.645 1.00 0.55 H ATOM 40 HB2 PRO A 3 -2.506 10.347 9.668 1.00 1.57 H ATOM 41 HB3 PRO A 3 -4.257 10.519 9.359 1.00 1.43 H ATOM 42 HG2 PRO A 3 -2.918 8.683 11.377 1.00 1.92 H ATOM 43 HG3 PRO A 3 -4.250 9.853 11.660 1.00 2.27 H ATOM 44 HD2 PRO A 3 -4.705 7.195 11.179 1.00 2.08 H ATOM 45 HD3 PRO A 3 -5.819 8.471 10.596 1.00 1.87 H ATOM 46 N VAL A 4 -2.086 6.820 7.827 1.00 0.27 N ATOM 47 CA VAL A 4 -0.956 5.938 7.643 1.00 0.26 C ATOM 48 C VAL A 4 -0.913 5.403 6.210 1.00 0.34 C ATOM 49 O VAL A 4 0.180 5.223 5.676 1.00 0.45 O ATOM 50 CB VAL A 4 -1.006 4.785 8.660 1.00 0.49 C ATOM 51 CG1 VAL A 4 -0.680 5.272 10.074 1.00 1.01 C ATOM 52 CG2 VAL A 4 -2.348 4.043 8.708 1.00 1.26 C ATOM 53 H VAL A 4 -2.937 6.553 7.382 1.00 0.73 H ATOM 54 HA VAL A 4 -0.038 6.504 7.808 1.00 0.42 H ATOM 55 HB VAL A 4 -0.245 4.072 8.362 1.00 1.08 H ATOM 56 HG11 VAL A 4 -1.475 5.917 10.448 1.00 1.64 H ATOM 57 HG12 VAL A 4 -0.575 4.418 10.744 1.00 1.92 H ATOM 58 HG13 VAL A 4 0.256 5.832 10.068 1.00 1.81 H ATOM 59 HG21 VAL A 4 -2.611 3.636 7.734 1.00 2.31 H ATOM 60 HG22 VAL A 4 -2.274 3.211 9.410 1.00 1.66 H ATOM 61 HG23 VAL A 4 -3.135 4.711 9.056 1.00 2.48 H ATOM 62 N VAL A 5 -2.060 5.062 5.591 1.00 0.37 N ATOM 63 CA VAL A 5 -2.114 4.454 4.257 1.00 0.41 C ATOM 64 C VAL A 5 -1.329 3.145 4.178 1.00 0.34 C ATOM 65 O VAL A 5 -1.141 2.556 3.115 1.00 0.33 O ATOM 66 CB VAL A 5 -1.733 5.537 3.221 1.00 0.50 C ATOM 67 CG1 VAL A 5 -1.281 5.011 1.860 1.00 0.48 C ATOM 68 CG2 VAL A 5 -2.942 6.460 3.040 1.00 0.64 C ATOM 69 H VAL A 5 -2.957 5.173 6.038 1.00 0.50 H ATOM 70 HA VAL A 5 -3.134 4.125 4.073 1.00 0.44 H ATOM 71 HB VAL A 5 -0.912 6.140 3.608 1.00 0.52 H ATOM 72 HG11 VAL A 5 -1.156 5.839 1.163 1.00 1.61 H ATOM 73 HG12 VAL A 5 -0.313 4.517 1.979 1.00 1.39 H ATOM 74 HG13 VAL A 5 -2.013 4.307 1.467 1.00 1.97 H ATOM 75 HG21 VAL A 5 -3.224 6.894 3.999 1.00 1.56 H ATOM 76 HG22 VAL A 5 -2.692 7.266 2.351 1.00 1.33 H ATOM 77 HG23 VAL A 5 -3.784 5.893 2.640 1.00 1.73 H ATOM 78 N HIS A 6 -0.913 2.628 5.327 1.00 0.30 N ATOM 79 CA HIS A 6 -0.018 1.506 5.402 1.00 0.31 C ATOM 80 C HIS A 6 1.199 1.702 4.502 1.00 0.25 C ATOM 81 O HIS A 6 1.727 0.716 3.994 1.00 0.20 O ATOM 82 CB HIS A 6 -0.784 0.227 5.049 1.00 0.35 C ATOM 83 CG HIS A 6 -2.177 0.161 5.598 1.00 0.89 C ATOM 84 ND1 HIS A 6 -3.335 0.139 4.861 1.00 1.60 N ATOM 85 CD2 HIS A 6 -2.512 0.143 6.920 1.00 1.16 C ATOM 86 CE1 HIS A 6 -4.354 0.090 5.734 1.00 1.99 C ATOM 87 NE2 HIS A 6 -3.905 0.103 7.000 1.00 1.68 N ATOM 88 H HIS A 6 -1.151 3.083 6.191 1.00 0.33 H ATOM 89 HA HIS A 6 0.327 1.458 6.425 1.00 0.37 H ATOM 90 HB2 HIS A 6 -0.854 0.128 3.971 1.00 0.48 H ATOM 91 HB3 HIS A 6 -0.228 -0.620 5.420 1.00 0.41 H ATOM 92 HD1 HIS A 6 -3.408 0.151 3.853 1.00 1.92 H ATOM 93 HD2 HIS A 6 -1.805 0.158 7.732 1.00 1.30 H ATOM 94 HE1 HIS A 6 -5.393 0.039 5.452 1.00 2.61 H ATOM 95 N PHE A 7 1.636 2.948 4.276 1.00 0.30 N ATOM 96 CA PHE A 7 2.725 3.317 3.379 1.00 0.32 C ATOM 97 C PHE A 7 2.587 2.817 1.934 1.00 0.30 C ATOM 98 O PHE A 7 3.515 2.983 1.149 1.00 0.35 O ATOM 99 CB PHE A 7 4.036 2.858 4.007 1.00 0.33 C ATOM 100 CG PHE A 7 4.864 3.991 4.566 1.00 0.45 C ATOM 101 CD1 PHE A 7 4.597 4.487 5.855 1.00 1.93 C ATOM 102 CD2 PHE A 7 5.880 4.571 3.785 1.00 1.81 C ATOM 103 CE1 PHE A 7 5.367 5.543 6.373 1.00 1.99 C ATOM 104 CE2 PHE A 7 6.648 5.627 4.304 1.00 1.83 C ATOM 105 CZ PHE A 7 6.396 6.110 5.600 1.00 0.71 C ATOM 106 H PHE A 7 1.196 3.721 4.750 1.00 0.36 H ATOM 107 HA PHE A 7 2.744 4.406 3.320 1.00 0.38 H ATOM 108 HB2 PHE A 7 3.836 2.135 4.795 1.00 0.33 H ATOM 109 HB3 PHE A 7 4.604 2.330 3.252 1.00 0.32 H ATOM 110 HD1 PHE A 7 3.797 4.062 6.442 1.00 3.27 H ATOM 111 HD2 PHE A 7 6.064 4.208 2.784 1.00 3.17 H ATOM 112 HE1 PHE A 7 5.166 5.922 7.365 1.00 3.35 H ATOM 113 HE2 PHE A 7 7.432 6.070 3.705 1.00 3.17 H ATOM 114 HZ PHE A 7 6.987 6.921 6.000 1.00 0.81 H ATOM 115 N PHE A 8 1.448 2.223 1.580 1.00 0.28 N ATOM 116 CA PHE A 8 1.158 1.601 0.295 1.00 0.28 C ATOM 117 C PHE A 8 2.358 0.813 -0.241 1.00 0.23 C ATOM 118 O PHE A 8 2.949 1.162 -1.259 1.00 0.30 O ATOM 119 CB PHE A 8 0.648 2.659 -0.691 1.00 0.36 C ATOM 120 CG PHE A 8 0.167 2.086 -2.010 1.00 0.44 C ATOM 121 CD1 PHE A 8 -0.984 1.278 -2.049 1.00 1.72 C ATOM 122 CD2 PHE A 8 0.880 2.342 -3.196 1.00 1.88 C ATOM 123 CE1 PHE A 8 -1.420 0.729 -3.269 1.00 1.67 C ATOM 124 CE2 PHE A 8 0.443 1.794 -4.414 1.00 2.09 C ATOM 125 CZ PHE A 8 -0.706 0.986 -4.451 1.00 0.94 C ATOM 126 H PHE A 8 0.756 2.145 2.305 1.00 0.30 H ATOM 127 HA PHE A 8 0.346 0.892 0.456 1.00 0.30 H ATOM 128 HB2 PHE A 8 -0.183 3.195 -0.232 1.00 0.52 H ATOM 129 HB3 PHE A 8 1.446 3.381 -0.875 1.00 0.41 H ATOM 130 HD1 PHE A 8 -1.542 1.083 -1.145 1.00 3.05 H ATOM 131 HD2 PHE A 8 1.773 2.950 -3.172 1.00 3.10 H ATOM 132 HE1 PHE A 8 -2.308 0.114 -3.299 1.00 2.89 H ATOM 133 HE2 PHE A 8 0.998 1.983 -5.323 1.00 3.43 H ATOM 134 HZ PHE A 8 -1.034 0.567 -5.391 1.00 1.17 H ATOM 135 N LYS A 9 2.701 -0.303 0.412 1.00 0.16 N ATOM 136 CA LYS A 9 3.806 -1.147 -0.043 1.00 0.20 C ATOM 137 C LYS A 9 3.394 -2.038 -1.223 1.00 0.25 C ATOM 138 O LYS A 9 3.686 -3.229 -1.197 1.00 0.41 O ATOM 139 CB LYS A 9 4.355 -2.020 1.105 1.00 0.24 C ATOM 140 CG LYS A 9 5.270 -1.269 2.083 1.00 0.27 C ATOM 141 CD LYS A 9 4.491 -0.711 3.269 1.00 0.27 C ATOM 142 CE LYS A 9 4.026 -1.858 4.175 1.00 0.36 C ATOM 143 NZ LYS A 9 2.815 -1.490 4.931 1.00 1.10 N ATOM 144 H LYS A 9 2.176 -0.562 1.234 1.00 0.15 H ATOM 145 HA LYS A 9 4.603 -0.498 -0.395 1.00 0.23 H ATOM 146 HB2 LYS A 9 3.528 -2.505 1.622 1.00 0.26 H ATOM 147 HB3 LYS A 9 4.968 -2.813 0.684 1.00 0.32 H ATOM 148 HG2 LYS A 9 6.027 -1.957 2.464 1.00 0.37 H ATOM 149 HG3 LYS A 9 5.777 -0.458 1.560 1.00 0.39 H ATOM 150 HD2 LYS A 9 5.133 -0.040 3.840 1.00 0.43 H ATOM 151 HD3 LYS A 9 3.650 -0.148 2.879 1.00 0.34 H ATOM 152 HE2 LYS A 9 3.809 -2.739 3.571 1.00 0.81 H ATOM 153 HE3 LYS A 9 4.835 -2.114 4.864 1.00 0.95 H ATOM 154 HZ1 LYS A 9 2.979 -0.639 5.449 1.00 1.87 H ATOM 155 HZ2 LYS A 9 2.069 -1.268 4.280 1.00 1.71 H ATOM 156 HZ3 LYS A 9 2.523 -2.233 5.549 1.00 1.79 H ATOM 157 N ASN A 10 2.722 -1.501 -2.250 1.00 0.18 N ATOM 158 CA ASN A 10 2.253 -2.217 -3.418 1.00 0.22 C ATOM 159 C ASN A 10 1.770 -3.610 -3.047 1.00 0.30 C ATOM 160 O ASN A 10 2.243 -4.621 -3.546 1.00 0.46 O ATOM 161 CB ASN A 10 3.323 -2.214 -4.497 1.00 0.24 C ATOM 162 CG ASN A 10 3.184 -1.033 -5.420 1.00 0.72 C ATOM 163 OD1 ASN A 10 2.093 -0.566 -5.721 1.00 1.86 O ATOM 164 ND2 ASN A 10 4.296 -0.580 -5.946 1.00 0.34 N ATOM 165 H ASN A 10 2.506 -0.524 -2.286 1.00 0.19 H ATOM 166 HA ASN A 10 1.412 -1.663 -3.823 1.00 0.26 H ATOM 167 HB2 ASN A 10 4.312 -2.260 -4.047 1.00 0.40 H ATOM 168 HB3 ASN A 10 3.190 -3.061 -5.143 1.00 0.50 H ATOM 169 HD21 ASN A 10 5.190 -0.981 -5.724 1.00 1.06 H ATOM 170 HD22 ASN A 10 4.157 0.107 -6.652 1.00 0.68 H ATOM 171 N ILE A 11 0.767 -3.652 -2.183 1.00 0.25 N ATOM 172 CA ILE A 11 0.131 -4.891 -1.759 1.00 0.32 C ATOM 173 C ILE A 11 -1.066 -5.155 -2.673 1.00 0.32 C ATOM 174 O ILE A 11 -2.136 -5.557 -2.226 1.00 0.38 O ATOM 175 CB ILE A 11 -0.220 -4.863 -0.262 1.00 0.41 C ATOM 176 CG1 ILE A 11 -0.907 -3.549 0.131 1.00 0.37 C ATOM 177 CG2 ILE A 11 1.038 -5.141 0.575 1.00 0.44 C ATOM 178 CD1 ILE A 11 0.058 -2.452 0.603 1.00 0.26 C ATOM 179 H ILE A 11 0.407 -2.768 -1.872 1.00 0.20 H ATOM 180 HA ILE A 11 0.834 -5.701 -1.888 1.00 0.33 H ATOM 181 HB ILE A 11 -0.915 -5.680 -0.061 1.00 0.51 H ATOM 182 HG12 ILE A 11 -1.478 -3.191 -0.726 1.00 0.38 H ATOM 183 HG13 ILE A 11 -1.611 -3.755 0.936 1.00 0.47 H ATOM 184 HG21 ILE A 11 1.382 -6.158 0.382 1.00 1.64 H ATOM 185 HG22 ILE A 11 1.842 -4.456 0.311 1.00 1.71 H ATOM 186 HG23 ILE A 11 0.805 -5.051 1.636 1.00 1.45 H ATOM 187 HD11 ILE A 11 -0.452 -1.490 0.586 1.00 1.14 H ATOM 188 HD12 ILE A 11 0.389 -2.663 1.619 1.00 1.24 H ATOM 189 HD13 ILE A 11 0.939 -2.403 -0.035 1.00 1.27 H ATOM 190 N VAL A 12 -0.880 -4.898 -3.970 1.00 0.35 N ATOM 191 CA VAL A 12 -1.907 -5.105 -4.978 1.00 0.35 C ATOM 192 C VAL A 12 -1.307 -5.708 -6.238 1.00 0.35 C ATOM 193 O VAL A 12 -1.669 -6.819 -6.611 1.00 0.42 O ATOM 194 CB VAL A 12 -2.717 -3.814 -5.212 1.00 0.37 C ATOM 195 CG1 VAL A 12 -1.891 -2.519 -5.156 1.00 0.44 C ATOM 196 CG2 VAL A 12 -3.511 -3.852 -6.523 1.00 0.42 C ATOM 197 H VAL A 12 0.025 -4.553 -4.250 1.00 0.42 H ATOM 198 HA VAL A 12 -2.587 -5.859 -4.594 1.00 0.38 H ATOM 199 HB VAL A 12 -3.434 -3.754 -4.401 1.00 0.44 H ATOM 200 HG11 VAL A 12 -2.548 -1.671 -5.351 1.00 1.29 H ATOM 201 HG12 VAL A 12 -1.464 -2.389 -4.162 1.00 1.47 H ATOM 202 HG13 VAL A 12 -1.100 -2.520 -5.902 1.00 1.58 H ATOM 203 HG21 VAL A 12 -4.045 -4.799 -6.610 1.00 1.50 H ATOM 204 HG22 VAL A 12 -4.235 -3.037 -6.541 1.00 1.18 H ATOM 205 HG23 VAL A 12 -2.842 -3.738 -7.373 1.00 1.40 H ATOM 206 N THR A 13 -0.393 -4.983 -6.881 1.00 0.53 N ATOM 207 CA THR A 13 0.336 -5.383 -8.065 1.00 0.58 C ATOM 208 C THR A 13 -0.531 -6.107 -9.098 1.00 0.37 C ATOM 209 O THR A 13 -0.550 -7.336 -9.119 1.00 1.15 O ATOM 210 CB THR A 13 1.535 -6.223 -7.622 1.00 1.04 C ATOM 211 OG1 THR A 13 1.156 -7.410 -6.954 1.00 2.50 O ATOM 212 CG2 THR A 13 2.400 -5.444 -6.642 1.00 0.68 C ATOM 213 H THR A 13 -0.058 -4.138 -6.464 1.00 0.82 H ATOM 214 HA THR A 13 0.735 -4.485 -8.532 1.00 0.77 H ATOM 215 HB THR A 13 2.112 -6.441 -8.503 1.00 2.03 H ATOM 216 HG1 THR A 13 0.287 -7.681 -7.287 1.00 2.62 H ATOM 217 HG21 THR A 13 2.588 -4.439 -7.018 1.00 2.08 H ATOM 218 HG22 THR A 13 1.871 -5.401 -5.695 1.00 1.58 H ATOM 219 HG23 THR A 13 3.345 -5.965 -6.496 1.00 1.76 H ATOM 220 N PRO A 14 -1.225 -5.388 -9.992 1.00 0.67 N ATOM 221 CA PRO A 14 -2.051 -6.016 -11.007 1.00 0.87 C ATOM 222 C PRO A 14 -1.161 -6.596 -12.115 1.00 1.11 C ATOM 223 O PRO A 14 -0.987 -5.999 -13.173 1.00 1.92 O ATOM 224 CB PRO A 14 -2.993 -4.908 -11.481 1.00 1.88 C ATOM 225 CG PRO A 14 -2.157 -3.639 -11.315 1.00 2.32 C ATOM 226 CD PRO A 14 -1.274 -3.940 -10.100 1.00 1.61 C ATOM 227 HA PRO A 14 -2.641 -6.821 -10.566 1.00 0.94 H ATOM 228 HB2 PRO A 14 -3.328 -5.053 -12.510 1.00 2.17 H ATOM 229 HB3 PRO A 14 -3.852 -4.862 -10.810 1.00 2.20 H ATOM 230 HG2 PRO A 14 -1.533 -3.494 -12.197 1.00 2.61 H ATOM 231 HG3 PRO A 14 -2.788 -2.765 -11.144 1.00 2.98 H ATOM 232 HD2 PRO A 14 -0.282 -3.519 -10.256 1.00 1.83 H ATOM 233 HD3 PRO A 14 -1.721 -3.516 -9.203 1.00 1.88 H ATOM 234 N ARG A 15 -0.604 -7.779 -11.847 1.00 1.45 N ATOM 235 CA ARG A 15 0.305 -8.559 -12.672 1.00 2.29 C ATOM 236 C ARG A 15 1.430 -7.693 -13.226 1.00 4.35 C ATOM 237 O ARG A 15 1.656 -7.627 -14.433 1.00 5.59 O ATOM 238 CB ARG A 15 -0.478 -9.296 -13.762 1.00 3.19 C ATOM 239 CG ARG A 15 0.360 -10.488 -14.242 1.00 4.14 C ATOM 240 CD ARG A 15 0.251 -10.705 -15.748 1.00 6.01 C ATOM 241 NE ARG A 15 -0.974 -11.423 -16.132 1.00 7.29 N ATOM 242 CZ ARG A 15 -1.112 -12.114 -17.271 1.00 9.07 C ATOM 243 NH1 ARG A 15 -0.140 -12.090 -18.186 1.00 9.75 N ATOM 244 NH2 ARG A 15 -2.212 -12.832 -17.498 1.00 10.47 N ATOM 245 H ARG A 15 -0.703 -8.098 -10.899 1.00 1.75 H ATOM 246 HA ARG A 15 0.762 -9.308 -12.025 1.00 2.74 H ATOM 247 HB2 ARG A 15 -1.425 -9.658 -13.362 1.00 3.90 H ATOM 248 HB3 ARG A 15 -0.685 -8.604 -14.580 1.00 4.02 H ATOM 249 HG2 ARG A 15 1.412 -10.306 -14.019 1.00 3.86 H ATOM 250 HG3 ARG A 15 0.058 -11.390 -13.706 1.00 4.79 H ATOM 251 HD2 ARG A 15 0.292 -9.735 -16.247 1.00 6.29 H ATOM 252 HD3 ARG A 15 1.118 -11.292 -16.045 1.00 6.74 H ATOM 253 HE ARG A 15 -1.724 -11.408 -15.454 1.00 7.04 H ATOM 254 HH11 ARG A 15 0.677 -11.520 -18.027 1.00 9.07 H ATOM 255 HH12 ARG A 15 -0.193 -12.608 -19.049 1.00 11.11 H ATOM 256 HH21 ARG A 15 -2.957 -12.872 -16.817 1.00 10.36 H ATOM 257 HH22 ARG A 15 -2.329 -13.366 -18.345 1.00 11.83 H ATOM 258 N THR A 16 2.141 -7.035 -12.320 1.00 5.72 N ATOM 259 CA THR A 16 3.202 -6.119 -12.677 1.00 8.08 C ATOM 260 C THR A 16 4.465 -6.918 -12.983 1.00 9.06 C ATOM 261 O THR A 16 4.615 -8.036 -12.485 1.00 8.61 O ATOM 262 CB THR A 16 3.409 -5.151 -11.507 1.00 9.44 C ATOM 263 OG1 THR A 16 3.832 -5.842 -10.353 1.00 9.91 O ATOM 264 CG2 THR A 16 2.075 -4.464 -11.188 1.00 8.80 C ATOM 265 H THR A 16 1.991 -7.188 -11.336 1.00 5.71 H ATOM 266 HA THR A 16 2.903 -5.559 -13.561 1.00 8.53 H ATOM 267 HB THR A 16 4.153 -4.399 -11.766 1.00 10.92 H ATOM 268 HG1 THR A 16 4.766 -6.075 -10.491 1.00 10.75 H ATOM 269 HG21 THR A 16 1.331 -5.202 -10.878 1.00 7.85 H ATOM 270 HG22 THR A 16 2.224 -3.738 -10.389 1.00 9.59 H ATOM 271 HG23 THR A 16 1.710 -3.948 -12.076 1.00 8.96 H ATOM 272 N PRO A 17 5.384 -6.353 -13.773 1.00 10.82 N ATOM 273 CA PRO A 17 6.750 -6.827 -13.810 1.00 12.32 C ATOM 274 C PRO A 17 7.458 -6.382 -12.524 1.00 14.06 C ATOM 275 O PRO A 17 6.768 -5.806 -11.643 1.00 14.21 O ATOM 276 CB PRO A 17 7.332 -6.178 -15.066 1.00 13.66 C ATOM 277 CG PRO A 17 6.645 -4.812 -15.081 1.00 14.20 C ATOM 278 CD PRO A 17 5.264 -5.092 -14.482 1.00 12.07 C ATOM 279 OXT PRO A 17 8.683 -6.618 -12.453 1.00 15.46 O ATOM 280 HA PRO A 17 6.790 -7.914 -13.887 1.00 11.53 H ATOM 281 HB2 PRO A 17 8.418 -6.094 -15.030 1.00 15.25 H ATOM 282 HB3 PRO A 17 7.020 -6.749 -15.942 1.00 12.79 H ATOM 283 HG2 PRO A 17 7.193 -4.124 -14.436 1.00 15.59 H ATOM 284 HG3 PRO A 17 6.569 -4.412 -16.093 1.00 14.83 H ATOM 285 HD2 PRO A 17 4.988 -4.284 -13.804 1.00 12.58 H ATOM 286 HD3 PRO A 17 4.524 -5.192 -15.276 1.00 11.31 H TER 287 PRO A 17 ENDMDL MODEL 15 ATOM 1 N GLU A 1 -10.344 5.315 9.514 1.00 2.77 N ATOM 2 CA GLU A 1 -9.669 5.783 8.292 1.00 2.37 C ATOM 3 C GLU A 1 -8.226 5.335 8.384 1.00 2.23 C ATOM 4 O GLU A 1 -7.849 4.792 9.421 1.00 3.39 O ATOM 5 CB GLU A 1 -9.749 7.304 8.163 1.00 2.68 C ATOM 6 CG GLU A 1 -11.178 7.720 7.826 1.00 3.08 C ATOM 7 CD GLU A 1 -11.259 9.237 7.700 1.00 3.33 C ATOM 8 OE1 GLU A 1 -10.872 9.734 6.621 1.00 3.30 O ATOM 9 OE2 GLU A 1 -11.672 9.860 8.700 1.00 4.36 O ATOM 10 H1 GLU A 1 -9.758 5.578 10.295 1.00 2.97 H ATOM 11 H2 GLU A 1 -11.266 5.717 9.597 1.00 2.97 H ATOM 12 H3 GLU A 1 -10.385 4.306 9.499 1.00 2.73 H ATOM 13 HA GLU A 1 -10.130 5.325 7.416 1.00 2.09 H ATOM 14 HB2 GLU A 1 -9.434 7.766 9.100 1.00 3.18 H ATOM 15 HB3 GLU A 1 -9.089 7.638 7.362 1.00 2.53 H ATOM 16 HG2 GLU A 1 -11.473 7.254 6.884 1.00 3.23 H ATOM 17 HG3 GLU A 1 -11.857 7.380 8.609 1.00 3.77 H ATOM 18 N ASN A 2 -7.420 5.582 7.350 1.00 1.04 N ATOM 19 CA ASN A 2 -6.067 5.056 7.309 1.00 0.81 C ATOM 20 C ASN A 2 -5.088 6.227 7.252 1.00 0.53 C ATOM 21 O ASN A 2 -4.482 6.447 6.207 1.00 0.49 O ATOM 22 CB ASN A 2 -5.881 4.136 6.084 1.00 0.92 C ATOM 23 CG ASN A 2 -6.901 3.007 5.977 1.00 1.65 C ATOM 24 OD1 ASN A 2 -7.620 2.695 6.916 1.00 2.46 O ATOM 25 ND2 ASN A 2 -6.998 2.389 4.807 1.00 1.90 N ATOM 26 H ASN A 2 -7.754 6.088 6.542 1.00 1.11 H ATOM 27 HA ASN A 2 -5.879 4.468 8.210 1.00 1.00 H ATOM 28 HB2 ASN A 2 -5.948 4.738 5.176 1.00 1.47 H ATOM 29 HB3 ASN A 2 -4.885 3.695 6.129 1.00 1.16 H ATOM 30 HD21 ASN A 2 -6.423 2.646 4.021 1.00 1.86 H ATOM 31 HD22 ASN A 2 -7.689 1.659 4.730 1.00 2.51 H ATOM 32 N PRO A 3 -4.858 6.964 8.353 1.00 0.46 N ATOM 33 CA PRO A 3 -4.016 8.160 8.344 1.00 0.39 C ATOM 34 C PRO A 3 -2.519 7.869 8.216 1.00 0.42 C ATOM 35 O PRO A 3 -1.689 8.759 8.371 1.00 0.94 O ATOM 36 CB PRO A 3 -4.360 8.894 9.644 1.00 0.54 C ATOM 37 CG PRO A 3 -4.737 7.753 10.587 1.00 0.66 C ATOM 38 CD PRO A 3 -5.457 6.773 9.661 1.00 0.64 C ATOM 39 HA PRO A 3 -4.281 8.768 7.490 1.00 0.44 H ATOM 40 HB2 PRO A 3 -3.527 9.484 10.030 1.00 0.63 H ATOM 41 HB3 PRO A 3 -5.230 9.530 9.479 1.00 0.59 H ATOM 42 HG2 PRO A 3 -3.832 7.289 10.982 1.00 0.70 H ATOM 43 HG3 PRO A 3 -5.383 8.093 11.396 1.00 0.81 H ATOM 44 HD2 PRO A 3 -5.331 5.750 10.017 1.00 0.76 H ATOM 45 HD3 PRO A 3 -6.513 7.037 9.616 1.00 0.74 H ATOM 46 N VAL A 4 -2.178 6.628 7.891 1.00 0.21 N ATOM 47 CA VAL A 4 -0.832 6.139 7.684 1.00 0.18 C ATOM 48 C VAL A 4 -0.661 5.531 6.291 1.00 0.17 C ATOM 49 O VAL A 4 0.460 5.250 5.870 1.00 0.24 O ATOM 50 CB VAL A 4 -0.554 5.091 8.763 1.00 0.29 C ATOM 51 CG1 VAL A 4 -0.490 5.768 10.137 1.00 1.10 C ATOM 52 CG2 VAL A 4 -1.629 3.992 8.814 1.00 0.87 C ATOM 53 H VAL A 4 -2.916 5.952 7.865 1.00 0.64 H ATOM 54 HA VAL A 4 -0.118 6.958 7.787 1.00 0.28 H ATOM 55 HB VAL A 4 0.401 4.631 8.527 1.00 0.83 H ATOM 56 HG11 VAL A 4 0.259 6.558 10.126 1.00 2.23 H ATOM 57 HG12 VAL A 4 -1.457 6.211 10.384 1.00 1.99 H ATOM 58 HG13 VAL A 4 -0.230 5.033 10.898 1.00 1.82 H ATOM 59 HG21 VAL A 4 -1.188 3.080 9.218 1.00 1.82 H ATOM 60 HG22 VAL A 4 -2.453 4.295 9.460 1.00 1.77 H ATOM 61 HG23 VAL A 4 -2.032 3.775 7.828 1.00 1.83 H ATOM 62 N VAL A 5 -1.771 5.236 5.602 1.00 0.16 N ATOM 63 CA VAL A 5 -1.816 4.591 4.291 1.00 0.18 C ATOM 64 C VAL A 5 -1.071 3.259 4.244 1.00 0.14 C ATOM 65 O VAL A 5 -0.891 2.660 3.187 1.00 0.15 O ATOM 66 CB VAL A 5 -1.403 5.653 3.250 1.00 0.25 C ATOM 67 CG1 VAL A 5 -0.937 5.106 1.902 1.00 0.25 C ATOM 68 CG2 VAL A 5 -2.595 6.591 3.033 1.00 0.41 C ATOM 69 H VAL A 5 -2.650 5.558 5.966 1.00 0.22 H ATOM 70 HA VAL A 5 -2.837 4.283 4.100 1.00 0.22 H ATOM 71 HB VAL A 5 -0.582 6.243 3.655 1.00 0.29 H ATOM 72 HG11 VAL A 5 0.017 4.596 2.047 1.00 1.31 H ATOM 73 HG12 VAL A 5 -1.676 4.412 1.506 1.00 1.37 H ATOM 74 HG13 VAL A 5 -0.784 5.923 1.198 1.00 1.38 H ATOM 75 HG21 VAL A 5 -2.347 7.341 2.282 1.00 1.52 H ATOM 76 HG22 VAL A 5 -3.462 6.022 2.697 1.00 1.65 H ATOM 77 HG23 VAL A 5 -2.841 7.100 3.966 1.00 1.35 H ATOM 78 N HIS A 6 -0.688 2.732 5.404 1.00 0.15 N ATOM 79 CA HIS A 6 0.208 1.613 5.502 1.00 0.16 C ATOM 80 C HIS A 6 1.387 1.761 4.544 1.00 0.14 C ATOM 81 O HIS A 6 1.828 0.764 3.979 1.00 0.16 O ATOM 82 CB HIS A 6 -0.588 0.330 5.245 1.00 0.19 C ATOM 83 CG HIS A 6 -1.698 0.051 6.221 1.00 0.32 C ATOM 84 ND1 HIS A 6 -2.874 -0.614 5.952 1.00 0.49 N ATOM 85 CD2 HIS A 6 -1.688 0.353 7.553 1.00 0.39 C ATOM 86 CE1 HIS A 6 -3.557 -0.703 7.108 1.00 0.60 C ATOM 87 NE2 HIS A 6 -2.876 -0.122 8.108 1.00 0.53 N ATOM 88 H HIS A 6 -0.901 3.204 6.261 1.00 0.17 H ATOM 89 HA HIS A 6 0.613 1.605 6.505 1.00 0.20 H ATOM 90 HB2 HIS A 6 -1.003 0.355 4.241 1.00 0.20 H ATOM 91 HB3 HIS A 6 0.101 -0.491 5.284 1.00 0.21 H ATOM 92 HD1 HIS A 6 -3.170 -0.983 5.060 1.00 0.57 H ATOM 93 HD2 HIS A 6 -0.885 0.852 8.072 1.00 0.41 H ATOM 94 HE1 HIS A 6 -4.519 -1.184 7.224 1.00 0.77 H ATOM 95 N PHE A 7 1.879 2.991 4.332 1.00 0.16 N ATOM 96 CA PHE A 7 2.980 3.321 3.432 1.00 0.19 C ATOM 97 C PHE A 7 2.828 2.818 1.987 1.00 0.19 C ATOM 98 O PHE A 7 3.775 2.897 1.210 1.00 0.25 O ATOM 99 CB PHE A 7 4.272 2.817 4.067 1.00 0.22 C ATOM 100 CG PHE A 7 5.176 3.924 4.560 1.00 0.32 C ATOM 101 CD1 PHE A 7 4.989 4.468 5.843 1.00 1.74 C ATOM 102 CD2 PHE A 7 6.186 4.428 3.721 1.00 1.94 C ATOM 103 CE1 PHE A 7 5.833 5.496 6.299 1.00 1.72 C ATOM 104 CE2 PHE A 7 7.027 5.458 4.176 1.00 2.00 C ATOM 105 CZ PHE A 7 6.855 5.988 5.467 1.00 0.55 C ATOM 106 H PHE A 7 1.483 3.770 4.840 1.00 0.18 H ATOM 107 HA PHE A 7 3.038 4.409 3.371 1.00 0.23 H ATOM 108 HB2 PHE A 7 4.033 2.147 4.891 1.00 0.24 H ATOM 109 HB3 PHE A 7 4.801 2.217 3.337 1.00 0.21 H ATOM 110 HD1 PHE A 7 4.193 4.100 6.475 1.00 3.12 H ATOM 111 HD2 PHE A 7 6.308 4.025 2.725 1.00 3.28 H ATOM 112 HE1 PHE A 7 5.696 5.911 7.287 1.00 3.07 H ATOM 113 HE2 PHE A 7 7.805 5.843 3.533 1.00 3.38 H ATOM 114 HZ PHE A 7 7.504 6.778 5.817 1.00 0.64 H ATOM 115 N PHE A 8 1.648 2.317 1.629 1.00 0.16 N ATOM 116 CA PHE A 8 1.290 1.724 0.348 1.00 0.20 C ATOM 117 C PHE A 8 2.402 0.818 -0.192 1.00 0.19 C ATOM 118 O PHE A 8 3.020 1.111 -1.213 1.00 0.26 O ATOM 119 CB PHE A 8 0.865 2.824 -0.639 1.00 0.27 C ATOM 120 CG PHE A 8 -0.130 2.354 -1.684 1.00 0.52 C ATOM 121 CD1 PHE A 8 0.294 1.621 -2.810 1.00 1.55 C ATOM 122 CD2 PHE A 8 -1.497 2.649 -1.524 1.00 2.22 C ATOM 123 CE1 PHE A 8 -0.645 1.173 -3.755 1.00 1.48 C ATOM 124 CE2 PHE A 8 -2.434 2.212 -2.477 1.00 2.54 C ATOM 125 CZ PHE A 8 -2.009 1.468 -3.590 1.00 1.25 C ATOM 126 H PHE A 8 0.962 2.289 2.364 1.00 0.16 H ATOM 127 HA PHE A 8 0.413 1.102 0.527 1.00 0.21 H ATOM 128 HB2 PHE A 8 0.399 3.633 -0.078 1.00 0.42 H ATOM 129 HB3 PHE A 8 1.741 3.250 -1.127 1.00 0.40 H ATOM 130 HD1 PHE A 8 1.341 1.414 -2.970 1.00 2.95 H ATOM 131 HD2 PHE A 8 -1.834 3.222 -0.673 1.00 3.46 H ATOM 132 HE1 PHE A 8 -0.312 0.617 -4.621 1.00 2.66 H ATOM 133 HE2 PHE A 8 -3.480 2.455 -2.356 1.00 3.98 H ATOM 134 HZ PHE A 8 -2.728 1.136 -4.325 1.00 1.55 H ATOM 135 N LYS A 9 2.643 -0.334 0.447 1.00 0.14 N ATOM 136 CA LYS A 9 3.686 -1.253 -0.024 1.00 0.14 C ATOM 137 C LYS A 9 3.207 -2.100 -1.210 1.00 0.15 C ATOM 138 O LYS A 9 3.434 -3.304 -1.208 1.00 0.24 O ATOM 139 CB LYS A 9 4.188 -2.179 1.104 1.00 0.16 C ATOM 140 CG LYS A 9 5.101 -1.516 2.142 1.00 0.21 C ATOM 141 CD LYS A 9 4.394 -0.744 3.254 1.00 0.31 C ATOM 142 CE LYS A 9 3.680 -1.641 4.282 1.00 0.46 C ATOM 143 NZ LYS A 9 2.294 -2.005 3.915 1.00 1.38 N ATOM 144 H LYS A 9 2.087 -0.562 1.259 1.00 0.13 H ATOM 145 HA LYS A 9 4.529 -0.663 -0.389 1.00 0.16 H ATOM 146 HB2 LYS A 9 3.352 -2.686 1.573 1.00 0.27 H ATOM 147 HB3 LYS A 9 4.799 -2.956 0.653 1.00 0.21 H ATOM 148 HG2 LYS A 9 5.709 -2.291 2.610 1.00 0.31 H ATOM 149 HG3 LYS A 9 5.778 -0.839 1.621 1.00 0.27 H ATOM 150 HD2 LYS A 9 5.165 -0.194 3.796 1.00 0.37 H ATOM 151 HD3 LYS A 9 3.725 -0.010 2.817 1.00 0.32 H ATOM 152 HE2 LYS A 9 4.270 -2.544 4.441 1.00 0.87 H ATOM 153 HE3 LYS A 9 3.638 -1.089 5.222 1.00 1.32 H ATOM 154 HZ1 LYS A 9 2.276 -2.613 3.113 1.00 2.61 H ATOM 155 HZ2 LYS A 9 1.853 -2.479 4.691 1.00 2.09 H ATOM 156 HZ3 LYS A 9 1.771 -1.160 3.725 1.00 1.99 H ATOM 157 N ASN A 10 2.546 -1.506 -2.212 1.00 0.17 N ATOM 158 CA ASN A 10 2.044 -2.142 -3.409 1.00 0.21 C ATOM 159 C ASN A 10 1.533 -3.534 -3.108 1.00 0.18 C ATOM 160 O ASN A 10 1.922 -4.510 -3.734 1.00 0.21 O ATOM 161 CB ASN A 10 3.094 -2.105 -4.505 1.00 0.29 C ATOM 162 CG ASN A 10 3.050 -0.800 -5.251 1.00 0.69 C ATOM 163 OD1 ASN A 10 2.022 -0.146 -5.363 1.00 1.64 O ATOM 164 ND2 ASN A 10 4.167 -0.432 -5.828 1.00 0.44 N ATOM 165 H ASN A 10 2.364 -0.525 -2.212 1.00 0.26 H ATOM 166 HA ASN A 10 1.212 -1.552 -3.775 1.00 0.26 H ATOM 167 HB2 ASN A 10 4.081 -2.292 -4.085 1.00 0.38 H ATOM 168 HB3 ASN A 10 2.873 -2.848 -5.252 1.00 0.39 H ATOM 169 HD21 ASN A 10 5.013 -0.963 -5.733 1.00 0.99 H ATOM 170 HD22 ASN A 10 4.075 0.378 -6.398 1.00 0.68 H ATOM 171 N ILE A 11 0.592 -3.608 -2.177 1.00 0.17 N ATOM 172 CA ILE A 11 -0.049 -4.851 -1.776 1.00 0.21 C ATOM 173 C ILE A 11 -1.212 -5.139 -2.734 1.00 0.23 C ATOM 174 O ILE A 11 -2.309 -5.496 -2.316 1.00 0.29 O ATOM 175 CB ILE A 11 -0.444 -4.822 -0.287 1.00 0.26 C ATOM 176 CG1 ILE A 11 -1.087 -3.489 0.119 1.00 0.27 C ATOM 177 CG2 ILE A 11 0.782 -5.146 0.582 1.00 0.27 C ATOM 178 CD1 ILE A 11 -0.095 -2.451 0.671 1.00 0.22 C ATOM 179 H ILE A 11 0.292 -2.737 -1.779 1.00 0.17 H ATOM 180 HA ILE A 11 0.671 -5.648 -1.880 1.00 0.22 H ATOM 181 HB ILE A 11 -1.170 -5.617 -0.112 1.00 0.33 H ATOM 182 HG12 ILE A 11 -1.604 -3.080 -0.748 1.00 0.27 H ATOM 183 HG13 ILE A 11 -1.831 -3.690 0.887 1.00 0.33 H ATOM 184 HG21 ILE A 11 1.599 -4.453 0.379 1.00 1.46 H ATOM 185 HG22 ILE A 11 0.509 -5.101 1.636 1.00 1.41 H ATOM 186 HG23 ILE A 11 1.127 -6.156 0.360 1.00 1.51 H ATOM 187 HD11 ILE A 11 0.229 -2.738 1.672 1.00 1.74 H ATOM 188 HD12 ILE A 11 0.787 -2.379 0.039 1.00 1.54 H ATOM 189 HD13 ILE A 11 -0.580 -1.477 0.723 1.00 1.54 H ATOM 190 N VAL A 12 -0.964 -4.956 -4.034 1.00 0.35 N ATOM 191 CA VAL A 12 -1.954 -5.150 -5.084 1.00 0.33 C ATOM 192 C VAL A 12 -1.339 -5.736 -6.357 1.00 0.34 C ATOM 193 O VAL A 12 -1.909 -6.655 -6.935 1.00 0.61 O ATOM 194 CB VAL A 12 -2.709 -3.827 -5.320 1.00 0.36 C ATOM 195 CG1 VAL A 12 -1.789 -2.638 -5.643 1.00 0.75 C ATOM 196 CG2 VAL A 12 -3.834 -3.952 -6.363 1.00 0.59 C ATOM 197 H VAL A 12 -0.050 -4.607 -4.273 1.00 0.43 H ATOM 198 HA VAL A 12 -2.661 -5.890 -4.723 1.00 0.33 H ATOM 199 HB VAL A 12 -3.180 -3.573 -4.377 1.00 0.61 H ATOM 200 HG11 VAL A 12 -1.267 -2.781 -6.585 1.00 2.20 H ATOM 201 HG12 VAL A 12 -2.390 -1.731 -5.715 1.00 1.45 H ATOM 202 HG13 VAL A 12 -1.068 -2.490 -4.841 1.00 1.47 H ATOM 203 HG21 VAL A 12 -4.743 -4.299 -5.874 1.00 1.88 H ATOM 204 HG22 VAL A 12 -4.034 -2.986 -6.826 1.00 1.12 H ATOM 205 HG23 VAL A 12 -3.581 -4.666 -7.145 1.00 1.61 H ATOM 206 N THR A 13 -0.214 -5.171 -6.804 1.00 0.76 N ATOM 207 CA THR A 13 0.552 -5.552 -7.981 1.00 0.80 C ATOM 208 C THR A 13 -0.287 -6.117 -9.140 1.00 0.41 C ATOM 209 O THR A 13 -0.042 -7.231 -9.599 1.00 1.24 O ATOM 210 CB THR A 13 1.665 -6.512 -7.540 1.00 1.29 C ATOM 211 OG1 THR A 13 1.167 -7.737 -7.052 1.00 2.61 O ATOM 212 CG2 THR A 13 2.485 -5.928 -6.396 1.00 0.74 C ATOM 213 H THR A 13 0.215 -4.462 -6.243 1.00 1.24 H ATOM 214 HA THR A 13 1.038 -4.654 -8.358 1.00 1.10 H ATOM 215 HB THR A 13 2.314 -6.668 -8.389 1.00 2.20 H ATOM 216 HG1 THR A 13 1.843 -8.410 -7.159 1.00 2.56 H ATOM 217 HG21 THR A 13 1.909 -6.046 -5.480 1.00 1.61 H ATOM 218 HG22 THR A 13 3.418 -6.480 -6.291 1.00 1.87 H ATOM 219 HG23 THR A 13 2.702 -4.877 -6.577 1.00 1.64 H ATOM 220 N PRO A 14 -1.254 -5.353 -9.674 1.00 0.80 N ATOM 221 CA PRO A 14 -2.206 -5.881 -10.634 1.00 1.04 C ATOM 222 C PRO A 14 -1.537 -6.090 -11.991 1.00 1.48 C ATOM 223 O PRO A 14 -1.560 -5.218 -12.856 1.00 2.46 O ATOM 224 CB PRO A 14 -3.335 -4.855 -10.698 1.00 2.16 C ATOM 225 CG PRO A 14 -2.627 -3.540 -10.363 1.00 2.69 C ATOM 226 CD PRO A 14 -1.546 -3.966 -9.368 1.00 1.88 C ATOM 227 HA PRO A 14 -2.604 -6.832 -10.277 1.00 0.94 H ATOM 228 HB2 PRO A 14 -3.812 -4.835 -11.680 1.00 2.53 H ATOM 229 HB3 PRO A 14 -4.068 -5.081 -9.923 1.00 2.42 H ATOM 230 HG2 PRO A 14 -2.160 -3.133 -11.260 1.00 3.04 H ATOM 231 HG3 PRO A 14 -3.314 -2.814 -9.925 1.00 3.41 H ATOM 232 HD2 PRO A 14 -0.660 -3.340 -9.477 1.00 2.13 H ATOM 233 HD3 PRO A 14 -1.940 -3.891 -8.360 1.00 2.18 H ATOM 234 N ARG A 15 -0.959 -7.271 -12.189 1.00 1.65 N ATOM 235 CA ARG A 15 -0.349 -7.694 -13.432 1.00 2.62 C ATOM 236 C ARG A 15 -0.747 -9.146 -13.612 1.00 3.10 C ATOM 237 O ARG A 15 -0.399 -9.988 -12.791 1.00 3.69 O ATOM 238 CB ARG A 15 1.175 -7.514 -13.354 1.00 3.55 C ATOM 239 CG ARG A 15 1.560 -6.127 -13.883 1.00 4.66 C ATOM 240 CD ARG A 15 2.982 -5.712 -13.500 1.00 5.94 C ATOM 241 NE ARG A 15 4.005 -6.623 -14.035 1.00 6.51 N ATOM 242 CZ ARG A 15 5.309 -6.334 -14.133 1.00 7.91 C ATOM 243 NH1 ARG A 15 5.762 -5.143 -13.736 1.00 8.87 N ATOM 244 NH2 ARG A 15 6.162 -7.232 -14.626 1.00 8.69 N ATOM 245 H ARG A 15 -0.907 -7.920 -11.409 1.00 1.74 H ATOM 246 HA ARG A 15 -0.745 -7.103 -14.259 1.00 3.11 H ATOM 247 HB2 ARG A 15 1.506 -7.628 -12.319 1.00 3.88 H ATOM 248 HB3 ARG A 15 1.666 -8.275 -13.962 1.00 3.77 H ATOM 249 HG2 ARG A 15 1.458 -6.119 -14.968 1.00 4.80 H ATOM 250 HG3 ARG A 15 0.882 -5.382 -13.470 1.00 4.93 H ATOM 251 HD2 ARG A 15 3.148 -4.709 -13.895 1.00 6.85 H ATOM 252 HD3 ARG A 15 3.061 -5.681 -12.412 1.00 6.02 H ATOM 253 HE ARG A 15 3.671 -7.529 -14.333 1.00 6.08 H ATOM 254 HH11 ARG A 15 5.119 -4.466 -13.354 1.00 8.67 H ATOM 255 HH12 ARG A 15 6.734 -4.884 -13.804 1.00 10.00 H ATOM 256 HH21 ARG A 15 5.841 -8.142 -14.929 1.00 8.42 H ATOM 257 HH22 ARG A 15 7.148 -7.037 -14.711 1.00 9.79 H ATOM 258 N THR A 16 -1.511 -9.425 -14.661 1.00 3.61 N ATOM 259 CA THR A 16 -1.980 -10.761 -14.990 1.00 4.73 C ATOM 260 C THR A 16 -1.732 -10.971 -16.484 1.00 5.43 C ATOM 261 O THR A 16 -1.625 -9.982 -17.213 1.00 5.28 O ATOM 262 CB THR A 16 -3.463 -10.890 -14.613 1.00 5.24 C ATOM 263 OG1 THR A 16 -4.195 -9.762 -15.044 1.00 5.49 O ATOM 264 CG2 THR A 16 -3.639 -10.991 -13.096 1.00 4.95 C ATOM 265 H THR A 16 -1.749 -8.713 -15.337 1.00 3.68 H ATOM 266 HA THR A 16 -1.404 -11.499 -14.431 1.00 5.13 H ATOM 267 HB THR A 16 -3.878 -11.787 -15.074 1.00 6.21 H ATOM 268 HG1 THR A 16 -3.897 -8.993 -14.557 1.00 5.62 H ATOM 269 HG21 THR A 16 -3.111 -11.867 -12.719 1.00 5.21 H ATOM 270 HG22 THR A 16 -3.249 -10.100 -12.603 1.00 4.84 H ATOM 271 HG23 THR A 16 -4.700 -11.089 -12.860 1.00 5.45 H ATOM 272 N PRO A 17 -1.557 -12.222 -16.928 1.00 6.49 N ATOM 273 CA PRO A 17 -1.391 -12.544 -18.334 1.00 7.40 C ATOM 274 C PRO A 17 -2.737 -12.472 -19.053 1.00 8.06 C ATOM 275 O PRO A 17 -3.769 -12.644 -18.365 1.00 8.16 O ATOM 276 CB PRO A 17 -0.834 -13.967 -18.349 1.00 8.39 C ATOM 277 CG PRO A 17 -1.478 -14.593 -17.112 1.00 8.51 C ATOM 278 CD PRO A 17 -1.557 -13.430 -16.121 1.00 7.21 C ATOM 279 OXT PRO A 17 -2.701 -12.287 -20.288 1.00 8.85 O ATOM 280 HA PRO A 17 -0.692 -11.856 -18.812 1.00 7.19 H ATOM 281 HB2 PRO A 17 -1.101 -14.501 -19.262 1.00 9.23 H ATOM 282 HB3 PRO A 17 0.249 -13.935 -18.223 1.00 8.30 H ATOM 283 HG2 PRO A 17 -2.484 -14.936 -17.356 1.00 9.07 H ATOM 284 HG3 PRO A 17 -0.878 -15.416 -16.720 1.00 9.10 H ATOM 285 HD2 PRO A 17 -2.467 -13.508 -15.526 1.00 7.30 H ATOM 286 HD3 PRO A 17 -0.677 -13.435 -15.476 1.00 7.01 H TER 287 PRO A 17 ENDMDL MODEL 16 ATOM 1 N GLU A 1 -10.020 7.608 7.112 1.00 2.15 N ATOM 2 CA GLU A 1 -9.320 7.404 5.834 1.00 1.99 C ATOM 3 C GLU A 1 -7.860 7.189 6.179 1.00 1.97 C ATOM 4 O GLU A 1 -7.092 8.141 6.202 1.00 3.13 O ATOM 5 CB GLU A 1 -9.469 8.569 4.840 1.00 2.33 C ATOM 6 CG GLU A 1 -10.887 8.695 4.269 1.00 2.47 C ATOM 7 CD GLU A 1 -11.747 9.632 5.113 1.00 2.82 C ATOM 8 OE1 GLU A 1 -12.128 9.181 6.216 1.00 3.49 O ATOM 9 OE2 GLU A 1 -11.964 10.779 4.676 1.00 3.75 O ATOM 10 H1 GLU A 1 -9.467 8.240 7.674 1.00 2.36 H ATOM 11 H2 GLU A 1 -10.946 7.976 6.970 1.00 2.22 H ATOM 12 H3 GLU A 1 -10.102 6.730 7.601 1.00 2.07 H ATOM 13 HA GLU A 1 -9.707 6.508 5.349 1.00 1.81 H ATOM 14 HB2 GLU A 1 -9.168 9.509 5.305 1.00 2.63 H ATOM 15 HB3 GLU A 1 -8.796 8.373 4.002 1.00 2.66 H ATOM 16 HG2 GLU A 1 -10.822 9.089 3.254 1.00 3.16 H ATOM 17 HG3 GLU A 1 -11.346 7.706 4.222 1.00 2.74 H ATOM 18 N ASN A 2 -7.528 5.950 6.545 1.00 0.98 N ATOM 19 CA ASN A 2 -6.207 5.428 6.871 1.00 0.84 C ATOM 20 C ASN A 2 -5.112 6.494 7.015 1.00 0.56 C ATOM 21 O ASN A 2 -4.348 6.688 6.073 1.00 0.50 O ATOM 22 CB ASN A 2 -5.797 4.415 5.782 1.00 1.02 C ATOM 23 CG ASN A 2 -6.888 3.390 5.501 1.00 1.55 C ATOM 24 OD1 ASN A 2 -7.680 3.073 6.378 1.00 2.25 O ATOM 25 ND2 ASN A 2 -6.996 2.918 4.267 1.00 1.88 N ATOM 26 H ASN A 2 -8.240 5.230 6.553 1.00 1.23 H ATOM 27 HA ASN A 2 -6.317 4.905 7.818 1.00 0.92 H ATOM 28 HB2 ASN A 2 -5.587 4.956 4.858 1.00 1.55 H ATOM 29 HB3 ASN A 2 -4.892 3.893 6.095 1.00 1.19 H ATOM 30 HD21 ASN A 2 -6.377 3.211 3.529 1.00 2.01 H ATOM 31 HD22 ASN A 2 -7.744 2.265 4.088 1.00 2.38 H ATOM 32 N PRO A 3 -4.934 7.125 8.189 1.00 0.50 N ATOM 33 CA PRO A 3 -4.020 8.258 8.349 1.00 0.38 C ATOM 34 C PRO A 3 -2.532 7.897 8.281 1.00 0.39 C ATOM 35 O PRO A 3 -1.670 8.731 8.537 1.00 0.86 O ATOM 36 CB PRO A 3 -4.406 8.895 9.689 1.00 0.54 C ATOM 37 CG PRO A 3 -4.975 7.720 10.481 1.00 0.74 C ATOM 38 CD PRO A 3 -5.686 6.896 9.407 1.00 0.74 C ATOM 39 HA PRO A 3 -4.199 8.959 7.544 1.00 0.38 H ATOM 40 HB2 PRO A 3 -3.558 9.356 10.199 1.00 0.60 H ATOM 41 HB3 PRO A 3 -5.192 9.633 9.523 1.00 0.57 H ATOM 42 HG2 PRO A 3 -4.156 7.137 10.909 1.00 0.79 H ATOM 43 HG3 PRO A 3 -5.660 8.050 11.262 1.00 0.90 H ATOM 44 HD2 PRO A 3 -5.689 5.842 9.686 1.00 0.87 H ATOM 45 HD3 PRO A 3 -6.706 7.260 9.277 1.00 0.86 H ATOM 46 N VAL A 4 -2.231 6.659 7.903 1.00 0.21 N ATOM 47 CA VAL A 4 -0.898 6.112 7.745 1.00 0.16 C ATOM 48 C VAL A 4 -0.691 5.462 6.371 1.00 0.16 C ATOM 49 O VAL A 4 0.440 5.156 5.996 1.00 0.24 O ATOM 50 CB VAL A 4 -0.660 5.109 8.876 1.00 0.26 C ATOM 51 CG1 VAL A 4 -0.694 5.828 10.230 1.00 1.10 C ATOM 52 CG2 VAL A 4 -1.686 3.964 8.917 1.00 0.89 C ATOM 53 H VAL A 4 -3.011 6.040 7.817 1.00 0.61 H ATOM 54 HA VAL A 4 -0.166 6.917 7.837 1.00 0.26 H ATOM 55 HB VAL A 4 0.319 4.676 8.712 1.00 0.77 H ATOM 56 HG11 VAL A 4 -0.368 5.149 11.018 1.00 1.96 H ATOM 57 HG12 VAL A 4 -0.029 6.691 10.207 1.00 2.30 H ATOM 58 HG13 VAL A 4 -1.707 6.169 10.450 1.00 1.99 H ATOM 59 HG21 VAL A 4 -2.704 4.345 8.946 1.00 1.99 H ATOM 60 HG22 VAL A 4 -1.568 3.316 8.054 1.00 1.64 H ATOM 61 HG23 VAL A 4 -1.519 3.362 9.810 1.00 1.89 H ATOM 62 N VAL A 5 -1.777 5.183 5.639 1.00 0.15 N ATOM 63 CA VAL A 5 -1.798 4.569 4.307 1.00 0.18 C ATOM 64 C VAL A 5 -1.060 3.234 4.241 1.00 0.15 C ATOM 65 O VAL A 5 -0.869 2.653 3.175 1.00 0.16 O ATOM 66 CB VAL A 5 -1.358 5.646 3.288 1.00 0.24 C ATOM 67 CG1 VAL A 5 -0.909 5.119 1.925 1.00 0.25 C ATOM 68 CG2 VAL A 5 -2.528 6.611 3.075 1.00 0.39 C ATOM 69 H VAL A 5 -2.655 5.522 5.983 1.00 0.21 H ATOM 70 HA VAL A 5 -2.818 4.272 4.090 1.00 0.22 H ATOM 71 HB VAL A 5 -0.524 6.211 3.703 1.00 0.28 H ATOM 72 HG11 VAL A 5 -0.749 5.948 1.238 1.00 1.58 H ATOM 73 HG12 VAL A 5 0.037 4.588 2.044 1.00 1.60 H ATOM 74 HG13 VAL A 5 -1.662 4.446 1.516 1.00 1.68 H ATOM 75 HG21 VAL A 5 -2.235 7.403 2.387 1.00 1.50 H ATOM 76 HG22 VAL A 5 -3.383 6.076 2.662 1.00 1.59 H ATOM 77 HG23 VAL A 5 -2.814 7.066 4.023 1.00 1.38 H ATOM 78 N HIS A 6 -0.694 2.685 5.394 1.00 0.16 N ATOM 79 CA HIS A 6 0.203 1.568 5.493 1.00 0.16 C ATOM 80 C HIS A 6 1.393 1.727 4.550 1.00 0.14 C ATOM 81 O HIS A 6 1.843 0.738 3.978 1.00 0.16 O ATOM 82 CB HIS A 6 -0.596 0.290 5.229 1.00 0.20 C ATOM 83 CG HIS A 6 -1.680 -0.005 6.233 1.00 0.33 C ATOM 84 ND1 HIS A 6 -2.847 -0.697 5.992 1.00 0.49 N ATOM 85 CD2 HIS A 6 -1.656 0.319 7.560 1.00 0.40 C ATOM 86 CE1 HIS A 6 -3.512 -0.779 7.160 1.00 0.60 C ATOM 87 NE2 HIS A 6 -2.827 -0.168 8.140 1.00 0.54 N ATOM 88 H HIS A 6 -0.919 3.148 6.252 1.00 0.18 H ATOM 89 HA HIS A 6 0.602 1.561 6.499 1.00 0.20 H ATOM 90 HB2 HIS A 6 -1.038 0.338 4.238 1.00 0.20 H ATOM 91 HB3 HIS A 6 0.094 -0.532 5.227 1.00 0.22 H ATOM 92 HD1 HIS A 6 -3.152 -1.083 5.111 1.00 0.56 H ATOM 93 HD2 HIS A 6 -0.862 0.847 8.061 1.00 0.42 H ATOM 94 HE1 HIS A 6 -4.463 -1.274 7.298 1.00 0.76 H ATOM 95 N PHE A 7 1.885 2.961 4.366 1.00 0.15 N ATOM 96 CA PHE A 7 2.996 3.312 3.483 1.00 0.18 C ATOM 97 C PHE A 7 2.866 2.820 2.031 1.00 0.19 C ATOM 98 O PHE A 7 3.822 2.909 1.269 1.00 0.26 O ATOM 99 CB PHE A 7 4.285 2.814 4.132 1.00 0.23 C ATOM 100 CG PHE A 7 5.166 3.922 4.667 1.00 0.33 C ATOM 101 CD1 PHE A 7 4.878 4.515 5.911 1.00 1.83 C ATOM 102 CD2 PHE A 7 6.260 4.378 3.909 1.00 1.86 C ATOM 103 CE1 PHE A 7 5.691 5.553 6.400 1.00 1.85 C ATOM 104 CE2 PHE A 7 7.072 5.416 4.399 1.00 1.89 C ATOM 105 CZ PHE A 7 6.789 6.002 5.646 1.00 0.55 C ATOM 106 H PHE A 7 1.483 3.729 4.886 1.00 0.18 H ATOM 107 HA PHE A 7 3.044 4.401 3.432 1.00 0.22 H ATOM 108 HB2 PHE A 7 4.040 2.125 4.938 1.00 0.25 H ATOM 109 HB3 PHE A 7 4.833 2.236 3.399 1.00 0.22 H ATOM 110 HD1 PHE A 7 4.032 4.177 6.490 1.00 3.19 H ATOM 111 HD2 PHE A 7 6.475 3.933 2.947 1.00 3.22 H ATOM 112 HE1 PHE A 7 5.470 6.008 7.355 1.00 3.21 H ATOM 113 HE2 PHE A 7 7.914 5.765 3.818 1.00 3.26 H ATOM 114 HZ PHE A 7 7.414 6.799 6.022 1.00 0.64 H ATOM 115 N PHE A 8 1.693 2.313 1.652 1.00 0.17 N ATOM 116 CA PHE A 8 1.372 1.695 0.374 1.00 0.21 C ATOM 117 C PHE A 8 2.511 0.804 -0.138 1.00 0.19 C ATOM 118 O PHE A 8 3.164 1.107 -1.133 1.00 0.24 O ATOM 119 CB PHE A 8 0.947 2.767 -0.640 1.00 0.28 C ATOM 120 CG PHE A 8 0.458 2.194 -1.957 1.00 0.51 C ATOM 121 CD1 PHE A 8 -0.816 1.600 -2.039 1.00 1.55 C ATOM 122 CD2 PHE A 8 1.288 2.221 -3.094 1.00 2.08 C ATOM 123 CE1 PHE A 8 -1.250 1.027 -3.248 1.00 1.53 C ATOM 124 CE2 PHE A 8 0.857 1.642 -4.299 1.00 2.30 C ATOM 125 CZ PHE A 8 -0.412 1.043 -4.376 1.00 1.08 C ATOM 126 H PHE A 8 0.999 2.277 2.378 1.00 0.16 H ATOM 127 HA PHE A 8 0.506 1.053 0.537 1.00 0.21 H ATOM 128 HB2 PHE A 8 0.141 3.360 -0.205 1.00 0.31 H ATOM 129 HB3 PHE A 8 1.787 3.439 -0.822 1.00 0.34 H ATOM 130 HD1 PHE A 8 -1.463 1.585 -1.175 1.00 2.87 H ATOM 131 HD2 PHE A 8 2.270 2.669 -3.035 1.00 3.30 H ATOM 132 HE1 PHE A 8 -2.230 0.578 -3.313 1.00 2.71 H ATOM 133 HE2 PHE A 8 1.500 1.653 -5.167 1.00 3.65 H ATOM 134 HZ PHE A 8 -0.738 0.601 -5.307 1.00 1.32 H ATOM 135 N LYS A 9 2.726 -0.355 0.493 1.00 0.13 N ATOM 136 CA LYS A 9 3.760 -1.279 0.012 1.00 0.13 C ATOM 137 C LYS A 9 3.259 -2.132 -1.164 1.00 0.14 C ATOM 138 O LYS A 9 3.473 -3.339 -1.154 1.00 0.23 O ATOM 139 CB LYS A 9 4.282 -2.190 1.141 1.00 0.15 C ATOM 140 CG LYS A 9 5.195 -1.496 2.160 1.00 0.18 C ATOM 141 CD LYS A 9 4.488 -0.741 3.285 1.00 0.27 C ATOM 142 CE LYS A 9 3.821 -1.661 4.323 1.00 0.39 C ATOM 143 NZ LYS A 9 2.428 -2.034 3.999 1.00 1.30 N ATOM 144 H LYS A 9 2.150 -0.591 1.290 1.00 0.12 H ATOM 145 HA LYS A 9 4.599 -0.695 -0.367 1.00 0.16 H ATOM 146 HB2 LYS A 9 3.457 -2.701 1.626 1.00 0.25 H ATOM 147 HB3 LYS A 9 4.899 -2.962 0.687 1.00 0.23 H ATOM 148 HG2 LYS A 9 5.835 -2.251 2.618 1.00 0.24 H ATOM 149 HG3 LYS A 9 5.842 -0.800 1.624 1.00 0.26 H ATOM 150 HD2 LYS A 9 5.254 -0.171 3.813 1.00 0.35 H ATOM 151 HD3 LYS A 9 3.787 -0.026 2.865 1.00 0.29 H ATOM 152 HE2 LYS A 9 4.425 -2.561 4.444 1.00 0.94 H ATOM 153 HE3 LYS A 9 3.808 -1.126 5.274 1.00 1.21 H ATOM 154 HZ1 LYS A 9 2.021 -2.534 4.778 1.00 1.93 H ATOM 155 HZ2 LYS A 9 1.887 -1.193 3.847 1.00 1.86 H ATOM 156 HZ3 LYS A 9 2.387 -2.622 3.183 1.00 2.27 H ATOM 157 N ASN A 10 2.600 -1.538 -2.166 1.00 0.14 N ATOM 158 CA ASN A 10 2.132 -2.176 -3.384 1.00 0.18 C ATOM 159 C ASN A 10 1.589 -3.572 -3.115 1.00 0.18 C ATOM 160 O ASN A 10 1.894 -4.542 -3.803 1.00 0.23 O ATOM 161 CB ASN A 10 3.238 -2.135 -4.439 1.00 0.21 C ATOM 162 CG ASN A 10 2.894 -1.207 -5.573 1.00 1.01 C ATOM 163 OD1 ASN A 10 1.748 -1.097 -5.994 1.00 2.40 O ATOM 164 ND2 ASN A 10 3.905 -0.571 -6.124 1.00 0.51 N ATOM 165 H ASN A 10 2.439 -0.549 -2.165 1.00 0.21 H ATOM 166 HA ASN A 10 1.301 -1.579 -3.755 1.00 0.23 H ATOM 167 HB2 ASN A 10 4.181 -1.855 -3.975 1.00 0.70 H ATOM 168 HB3 ASN A 10 3.369 -3.091 -4.913 1.00 0.68 H ATOM 169 HD21 ASN A 10 4.847 -0.668 -5.787 1.00 1.06 H ATOM 170 HD22 ASN A 10 3.679 -0.077 -6.960 1.00 1.15 H ATOM 171 N ILE A 11 0.697 -3.642 -2.133 1.00 0.22 N ATOM 172 CA ILE A 11 0.025 -4.865 -1.722 1.00 0.26 C ATOM 173 C ILE A 11 -1.156 -5.147 -2.664 1.00 0.28 C ATOM 174 O ILE A 11 -2.223 -5.570 -2.229 1.00 0.36 O ATOM 175 CB ILE A 11 -0.360 -4.825 -0.229 1.00 0.32 C ATOM 176 CG1 ILE A 11 -0.990 -3.485 0.180 1.00 0.32 C ATOM 177 CG2 ILE A 11 0.859 -5.166 0.642 1.00 0.33 C ATOM 178 CD1 ILE A 11 0.011 -2.466 0.746 1.00 0.30 C ATOM 179 H ILE A 11 0.473 -2.771 -1.690 1.00 0.26 H ATOM 180 HA ILE A 11 0.731 -5.675 -1.823 1.00 0.27 H ATOM 181 HB ILE A 11 -1.097 -5.609 -0.045 1.00 0.38 H ATOM 182 HG12 ILE A 11 -1.494 -3.064 -0.690 1.00 0.32 H ATOM 183 HG13 ILE A 11 -1.743 -3.680 0.941 1.00 0.37 H ATOM 184 HG21 ILE A 11 0.585 -5.119 1.696 1.00 1.47 H ATOM 185 HG22 ILE A 11 1.190 -6.182 0.420 1.00 1.56 H ATOM 186 HG23 ILE A 11 1.685 -4.485 0.441 1.00 1.52 H ATOM 187 HD11 ILE A 11 0.334 -2.767 1.743 1.00 1.82 H ATOM 188 HD12 ILE A 11 0.891 -2.401 0.111 1.00 1.54 H ATOM 189 HD13 ILE A 11 -0.462 -1.487 0.808 1.00 1.48 H ATOM 190 N VAL A 12 -0.973 -4.891 -3.963 1.00 0.32 N ATOM 191 CA VAL A 12 -1.976 -5.150 -4.983 1.00 0.36 C ATOM 192 C VAL A 12 -1.303 -5.548 -6.303 1.00 0.24 C ATOM 193 O VAL A 12 -1.419 -6.704 -6.691 1.00 0.32 O ATOM 194 CB VAL A 12 -2.969 -3.973 -5.056 1.00 0.52 C ATOM 195 CG1 VAL A 12 -2.341 -2.589 -4.819 1.00 0.60 C ATOM 196 CG2 VAL A 12 -3.767 -3.954 -6.363 1.00 0.58 C ATOM 197 H VAL A 12 -0.084 -4.515 -4.256 1.00 0.37 H ATOM 198 HA VAL A 12 -2.545 -6.025 -4.667 1.00 0.46 H ATOM 199 HB VAL A 12 -3.682 -4.128 -4.248 1.00 0.67 H ATOM 200 HG11 VAL A 12 -3.107 -1.824 -4.939 1.00 1.58 H ATOM 201 HG12 VAL A 12 -1.959 -2.520 -3.801 1.00 1.68 H ATOM 202 HG13 VAL A 12 -1.538 -2.390 -5.523 1.00 1.23 H ATOM 203 HG21 VAL A 12 -4.635 -3.304 -6.251 1.00 1.67 H ATOM 204 HG22 VAL A 12 -3.149 -3.571 -7.169 1.00 1.32 H ATOM 205 HG23 VAL A 12 -4.110 -4.961 -6.605 1.00 1.98 H ATOM 206 N THR A 13 -0.598 -4.622 -6.969 1.00 0.37 N ATOM 207 CA THR A 13 0.187 -4.828 -8.194 1.00 0.44 C ATOM 208 C THR A 13 -0.391 -5.900 -9.149 1.00 0.35 C ATOM 209 O THR A 13 0.072 -7.041 -9.199 1.00 1.18 O ATOM 210 CB THR A 13 1.670 -5.014 -7.822 1.00 0.81 C ATOM 211 OG1 THR A 13 2.458 -5.122 -8.988 1.00 2.10 O ATOM 212 CG2 THR A 13 1.964 -6.182 -6.873 1.00 0.65 C ATOM 213 H THR A 13 -0.550 -3.701 -6.568 1.00 0.57 H ATOM 214 HA THR A 13 0.158 -3.888 -8.743 1.00 0.59 H ATOM 215 HB THR A 13 1.989 -4.107 -7.309 1.00 1.66 H ATOM 216 HG1 THR A 13 3.316 -5.477 -8.745 1.00 2.66 H ATOM 217 HG21 THR A 13 3.031 -6.215 -6.655 1.00 1.57 H ATOM 218 HG22 THR A 13 1.432 -6.038 -5.934 1.00 1.61 H ATOM 219 HG23 THR A 13 1.658 -7.128 -7.316 1.00 2.10 H ATOM 220 N PRO A 14 -1.419 -5.549 -9.936 1.00 0.66 N ATOM 221 CA PRO A 14 -2.115 -6.484 -10.798 1.00 0.66 C ATOM 222 C PRO A 14 -1.329 -6.703 -12.092 1.00 1.02 C ATOM 223 O PRO A 14 -0.515 -5.875 -12.496 1.00 1.92 O ATOM 224 CB PRO A 14 -3.461 -5.814 -11.082 1.00 1.75 C ATOM 225 CG PRO A 14 -3.088 -4.334 -11.130 1.00 2.33 C ATOM 226 CD PRO A 14 -1.979 -4.220 -10.084 1.00 1.69 C ATOM 227 HA PRO A 14 -2.266 -7.435 -10.286 1.00 0.89 H ATOM 228 HB2 PRO A 14 -3.907 -6.152 -12.018 1.00 1.93 H ATOM 229 HB3 PRO A 14 -4.138 -5.991 -10.246 1.00 2.19 H ATOM 230 HG2 PRO A 14 -2.690 -4.085 -12.115 1.00 2.61 H ATOM 231 HG3 PRO A 14 -3.937 -3.694 -10.887 1.00 3.05 H ATOM 232 HD2 PRO A 14 -1.217 -3.526 -10.435 1.00 1.97 H ATOM 233 HD3 PRO A 14 -2.400 -3.899 -9.137 1.00 1.99 H ATOM 234 N ARG A 15 -1.623 -7.808 -12.777 1.00 1.77 N ATOM 235 CA ARG A 15 -1.070 -8.125 -14.087 1.00 2.80 C ATOM 236 C ARG A 15 -2.045 -9.020 -14.843 1.00 3.82 C ATOM 237 O ARG A 15 -1.882 -10.235 -14.875 1.00 4.57 O ATOM 238 CB ARG A 15 0.298 -8.818 -13.958 1.00 3.25 C ATOM 239 CG ARG A 15 1.445 -7.811 -13.797 1.00 3.82 C ATOM 240 CD ARG A 15 2.712 -8.333 -14.481 1.00 5.19 C ATOM 241 NE ARG A 15 3.312 -9.472 -13.770 1.00 5.50 N ATOM 242 CZ ARG A 15 4.333 -10.204 -14.236 1.00 6.84 C ATOM 243 NH1 ARG A 15 4.807 -9.987 -15.465 1.00 7.88 N ATOM 244 NH2 ARG A 15 4.887 -11.148 -13.474 1.00 7.50 N ATOM 245 H ARG A 15 -2.348 -8.403 -12.411 1.00 2.25 H ATOM 246 HA ARG A 15 -0.949 -7.202 -14.658 1.00 3.26 H ATOM 247 HB2 ARG A 15 0.292 -9.517 -13.121 1.00 3.47 H ATOM 248 HB3 ARG A 15 0.480 -9.387 -14.871 1.00 3.85 H ATOM 249 HG2 ARG A 15 1.178 -6.874 -14.288 1.00 4.07 H ATOM 250 HG3 ARG A 15 1.632 -7.611 -12.742 1.00 3.89 H ATOM 251 HD2 ARG A 15 2.452 -8.627 -15.498 1.00 5.80 H ATOM 252 HD3 ARG A 15 3.439 -7.522 -14.526 1.00 5.95 H ATOM 253 HE ARG A 15 2.938 -9.656 -12.849 1.00 4.99 H ATOM 254 HH11 ARG A 15 4.382 -9.280 -16.045 1.00 7.79 H ATOM 255 HH12 ARG A 15 5.573 -10.516 -15.852 1.00 8.97 H ATOM 256 HH21 ARG A 15 4.551 -11.320 -12.537 1.00 7.17 H ATOM 257 HH22 ARG A 15 5.662 -11.705 -13.800 1.00 8.57 H ATOM 258 N THR A 16 -3.051 -8.418 -15.467 1.00 4.41 N ATOM 259 CA THR A 16 -3.914 -9.093 -16.424 1.00 5.72 C ATOM 260 C THR A 16 -4.560 -7.992 -17.261 1.00 6.71 C ATOM 261 O THR A 16 -4.762 -6.892 -16.742 1.00 6.64 O ATOM 262 CB THR A 16 -4.946 -9.966 -15.685 1.00 5.88 C ATOM 263 OG1 THR A 16 -5.720 -10.745 -16.570 1.00 6.78 O ATOM 264 CG2 THR A 16 -5.911 -9.149 -14.835 1.00 5.88 C ATOM 265 H THR A 16 -3.192 -7.419 -15.399 1.00 4.34 H ATOM 266 HA THR A 16 -3.300 -9.734 -17.057 1.00 6.40 H ATOM 267 HB THR A 16 -4.406 -10.648 -15.026 1.00 6.04 H ATOM 268 HG1 THR A 16 -6.343 -10.163 -17.044 1.00 7.36 H ATOM 269 HG21 THR A 16 -6.550 -8.564 -15.495 1.00 6.48 H ATOM 270 HG22 THR A 16 -6.529 -9.828 -14.250 1.00 6.05 H ATOM 271 HG23 THR A 16 -5.356 -8.493 -14.164 1.00 5.77 H ATOM 272 N PRO A 17 -4.858 -8.251 -18.537 1.00 8.04 N ATOM 273 CA PRO A 17 -5.797 -7.450 -19.290 1.00 9.28 C ATOM 274 C PRO A 17 -7.211 -7.808 -18.823 1.00 9.46 C ATOM 275 O PRO A 17 -8.141 -7.099 -19.261 1.00 10.27 O ATOM 276 CB PRO A 17 -5.557 -7.860 -20.741 1.00 10.55 C ATOM 277 CG PRO A 17 -5.274 -9.357 -20.606 1.00 10.29 C ATOM 278 CD PRO A 17 -4.553 -9.470 -19.258 1.00 8.77 C ATOM 279 OXT PRO A 17 -7.335 -8.799 -18.059 1.00 9.20 O ATOM 280 HA PRO A 17 -5.618 -6.384 -19.149 1.00 9.49 H ATOM 281 HB2 PRO A 17 -6.418 -7.658 -21.377 1.00 11.50 H ATOM 282 HB3 PRO A 17 -4.667 -7.352 -21.119 1.00 10.84 H ATOM 283 HG2 PRO A 17 -6.218 -9.902 -20.563 1.00 10.56 H ATOM 284 HG3 PRO A 17 -4.656 -9.725 -21.426 1.00 11.10 H ATOM 285 HD2 PRO A 17 -4.924 -10.332 -18.709 1.00 8.59 H ATOM 286 HD3 PRO A 17 -3.476 -9.543 -19.409 1.00 8.80 H TER 287 PRO A 17 ENDMDL MODEL 17 ATOM 1 N GLU A 1 -10.253 7.336 7.698 1.00 1.83 N ATOM 2 CA GLU A 1 -9.372 7.323 6.515 1.00 1.64 C ATOM 3 C GLU A 1 -8.013 6.970 7.058 1.00 1.51 C ATOM 4 O GLU A 1 -7.610 7.625 8.006 1.00 2.21 O ATOM 5 CB GLU A 1 -9.269 8.685 5.810 1.00 1.83 C ATOM 6 CG GLU A 1 -10.453 8.965 4.881 1.00 2.16 C ATOM 7 CD GLU A 1 -11.700 9.301 5.687 1.00 2.74 C ATOM 8 OE1 GLU A 1 -12.303 8.324 6.184 1.00 3.79 O ATOM 9 OE2 GLU A 1 -11.951 10.501 5.906 1.00 3.46 O ATOM 10 H1 GLU A 1 -9.710 7.695 8.476 1.00 1.88 H ATOM 11 H2 GLU A 1 -11.072 7.906 7.551 1.00 1.94 H ATOM 12 H3 GLU A 1 -10.548 6.395 7.911 1.00 1.87 H ATOM 13 HA GLU A 1 -9.689 6.562 5.802 1.00 1.60 H ATOM 14 HB2 GLU A 1 -9.176 9.482 6.550 1.00 2.05 H ATOM 15 HB3 GLU A 1 -8.366 8.685 5.197 1.00 2.03 H ATOM 16 HG2 GLU A 1 -10.203 9.802 4.228 1.00 2.95 H ATOM 17 HG3 GLU A 1 -10.636 8.085 4.264 1.00 2.66 H ATOM 18 N ASN A 2 -7.359 5.931 6.541 1.00 0.99 N ATOM 19 CA ASN A 2 -6.148 5.380 7.141 1.00 0.74 C ATOM 20 C ASN A 2 -5.080 6.467 7.295 1.00 0.47 C ATOM 21 O ASN A 2 -4.406 6.761 6.308 1.00 0.43 O ATOM 22 CB ASN A 2 -5.608 4.252 6.241 1.00 0.89 C ATOM 23 CG ASN A 2 -6.595 3.110 6.047 1.00 1.58 C ATOM 24 OD1 ASN A 2 -7.537 2.960 6.812 1.00 2.32 O ATOM 25 ND2 ASN A 2 -6.425 2.318 4.996 1.00 1.90 N ATOM 26 H ASN A 2 -7.768 5.415 5.776 1.00 1.25 H ATOM 27 HA ASN A 2 -6.397 4.959 8.114 1.00 0.83 H ATOM 28 HB2 ASN A 2 -5.351 4.666 5.265 1.00 1.31 H ATOM 29 HB3 ASN A 2 -4.706 3.850 6.695 1.00 1.16 H ATOM 30 HD21 ASN A 2 -5.668 2.447 4.346 1.00 1.89 H ATOM 31 HD22 ASN A 2 -7.102 1.581 4.868 1.00 2.49 H ATOM 32 N PRO A 3 -4.821 7.022 8.495 1.00 0.43 N ATOM 33 CA PRO A 3 -3.915 8.161 8.647 1.00 0.36 C ATOM 34 C PRO A 3 -2.432 7.800 8.515 1.00 0.34 C ATOM 35 O PRO A 3 -1.557 8.613 8.797 1.00 0.77 O ATOM 36 CB PRO A 3 -4.239 8.738 10.027 1.00 0.58 C ATOM 37 CG PRO A 3 -4.647 7.495 10.816 1.00 0.73 C ATOM 38 CD PRO A 3 -5.441 6.705 9.777 1.00 0.66 C ATOM 39 HA PRO A 3 -4.132 8.891 7.876 1.00 0.39 H ATOM 40 HB2 PRO A 3 -3.394 9.254 10.481 1.00 0.66 H ATOM 41 HB3 PRO A 3 -5.095 9.411 9.943 1.00 0.65 H ATOM 42 HG2 PRO A 3 -3.759 6.936 11.114 1.00 0.78 H ATOM 43 HG3 PRO A 3 -5.258 7.750 11.683 1.00 0.93 H ATOM 44 HD2 PRO A 3 -5.432 5.639 9.986 1.00 0.79 H ATOM 45 HD3 PRO A 3 -6.466 7.056 9.817 1.00 0.75 H ATOM 46 N VAL A 4 -2.153 6.584 8.065 1.00 0.27 N ATOM 47 CA VAL A 4 -0.832 6.019 7.889 1.00 0.21 C ATOM 48 C VAL A 4 -0.640 5.480 6.470 1.00 0.20 C ATOM 49 O VAL A 4 0.484 5.177 6.076 1.00 0.27 O ATOM 50 CB VAL A 4 -0.653 4.896 8.917 1.00 0.28 C ATOM 51 CG1 VAL A 4 -0.474 5.488 10.318 1.00 1.09 C ATOM 52 CG2 VAL A 4 -1.850 3.930 8.951 1.00 0.95 C ATOM 53 H VAL A 4 -2.935 5.976 7.928 1.00 0.66 H ATOM 54 HA VAL A 4 -0.074 6.785 8.059 1.00 0.28 H ATOM 55 HB VAL A 4 0.235 4.333 8.645 1.00 0.81 H ATOM 56 HG11 VAL A 4 -0.305 4.687 11.038 1.00 2.17 H ATOM 57 HG12 VAL A 4 0.382 6.162 10.327 1.00 2.21 H ATOM 58 HG13 VAL A 4 -1.365 6.048 10.607 1.00 1.81 H ATOM 59 HG21 VAL A 4 -1.597 3.065 9.565 1.00 1.84 H ATOM 60 HG22 VAL A 4 -2.723 4.414 9.390 1.00 1.92 H ATOM 61 HG23 VAL A 4 -2.100 3.582 7.951 1.00 1.79 H ATOM 62 N VAL A 5 -1.734 5.267 5.723 1.00 0.18 N ATOM 63 CA VAL A 5 -1.739 4.665 4.389 1.00 0.21 C ATOM 64 C VAL A 5 -1.027 3.315 4.322 1.00 0.17 C ATOM 65 O VAL A 5 -0.832 2.743 3.252 1.00 0.19 O ATOM 66 CB VAL A 5 -1.253 5.747 3.400 1.00 0.28 C ATOM 67 CG1 VAL A 5 -0.817 5.227 2.031 1.00 0.29 C ATOM 68 CG2 VAL A 5 -2.379 6.776 3.232 1.00 0.43 C ATOM 69 H VAL A 5 -2.615 5.633 6.039 1.00 0.25 H ATOM 70 HA VAL A 5 -2.759 4.391 4.146 1.00 0.24 H ATOM 71 HB VAL A 5 -0.395 6.262 3.832 1.00 0.31 H ATOM 72 HG11 VAL A 5 0.105 4.656 2.153 1.00 1.38 H ATOM 73 HG12 VAL A 5 -1.594 4.594 1.604 1.00 1.26 H ATOM 74 HG13 VAL A 5 -0.608 6.061 1.362 1.00 1.43 H ATOM 75 HG21 VAL A 5 -2.169 7.429 2.385 1.00 1.53 H ATOM 76 HG22 VAL A 5 -3.330 6.272 3.063 1.00 1.47 H ATOM 77 HG23 VAL A 5 -2.454 7.387 4.132 1.00 1.61 H ATOM 78 N HIS A 6 -0.696 2.736 5.473 1.00 0.16 N ATOM 79 CA HIS A 6 0.167 1.591 5.562 1.00 0.17 C ATOM 80 C HIS A 6 1.392 1.736 4.661 1.00 0.16 C ATOM 81 O HIS A 6 1.838 0.743 4.090 1.00 0.17 O ATOM 82 CB HIS A 6 -0.655 0.341 5.239 1.00 0.20 C ATOM 83 CG HIS A 6 -1.793 0.060 6.185 1.00 0.35 C ATOM 84 ND1 HIS A 6 -2.955 -0.615 5.884 1.00 0.53 N ATOM 85 CD2 HIS A 6 -1.829 0.379 7.513 1.00 0.42 C ATOM 86 CE1 HIS A 6 -3.676 -0.693 7.018 1.00 0.65 C ATOM 87 NE2 HIS A 6 -3.033 -0.096 8.032 1.00 0.58 N ATOM 88 H HIS A 6 -0.924 3.181 6.340 1.00 0.18 H ATOM 89 HA HIS A 6 0.534 1.545 6.577 1.00 0.22 H ATOM 90 HB2 HIS A 6 -1.048 0.414 4.229 1.00 0.21 H ATOM 91 HB3 HIS A 6 0.010 -0.502 5.260 1.00 0.22 H ATOM 92 HD1 HIS A 6 -3.218 -0.999 4.989 1.00 0.60 H ATOM 93 HD2 HIS A 6 -1.050 0.890 8.055 1.00 0.43 H ATOM 94 HE1 HIS A 6 -4.639 -1.179 7.108 1.00 0.82 H ATOM 95 N PHE A 7 1.920 2.959 4.507 1.00 0.21 N ATOM 96 CA PHE A 7 3.062 3.287 3.657 1.00 0.28 C ATOM 97 C PHE A 7 2.934 2.830 2.194 1.00 0.28 C ATOM 98 O PHE A 7 3.905 2.897 1.448 1.00 0.37 O ATOM 99 CB PHE A 7 4.319 2.721 4.318 1.00 0.33 C ATOM 100 CG PHE A 7 5.239 3.768 4.911 1.00 0.46 C ATOM 101 CD1 PHE A 7 4.818 4.526 6.020 1.00 1.93 C ATOM 102 CD2 PHE A 7 6.512 3.991 4.354 1.00 1.67 C ATOM 103 CE1 PHE A 7 5.672 5.496 6.576 1.00 2.01 C ATOM 104 CE2 PHE A 7 7.366 4.959 4.912 1.00 1.68 C ATOM 105 CZ PHE A 7 6.946 5.711 6.023 1.00 0.74 C ATOM 106 H PHE A 7 1.518 3.733 5.017 1.00 0.23 H ATOM 107 HA PHE A 7 3.156 4.373 3.631 1.00 0.33 H ATOM 108 HB2 PHE A 7 4.031 2.021 5.099 1.00 0.33 H ATOM 109 HB3 PHE A 7 4.852 2.139 3.578 1.00 0.34 H ATOM 110 HD1 PHE A 7 3.840 4.366 6.449 1.00 3.20 H ATOM 111 HD2 PHE A 7 6.838 3.422 3.496 1.00 2.97 H ATOM 112 HE1 PHE A 7 5.349 6.078 7.427 1.00 3.31 H ATOM 113 HE2 PHE A 7 8.344 5.127 4.484 1.00 2.95 H ATOM 114 HZ PHE A 7 7.604 6.455 6.451 1.00 0.86 H ATOM 115 N PHE A 8 1.746 2.381 1.789 1.00 0.24 N ATOM 116 CA PHE A 8 1.401 1.810 0.495 1.00 0.26 C ATOM 117 C PHE A 8 2.513 0.913 -0.056 1.00 0.22 C ATOM 118 O PHE A 8 3.193 1.256 -1.016 1.00 0.30 O ATOM 119 CB PHE A 8 1.003 2.926 -0.479 1.00 0.37 C ATOM 120 CG PHE A 8 0.496 2.420 -1.816 1.00 0.56 C ATOM 121 CD1 PHE A 8 -0.730 1.734 -1.895 1.00 1.54 C ATOM 122 CD2 PHE A 8 1.256 2.622 -2.983 1.00 2.25 C ATOM 123 CE1 PHE A 8 -1.193 1.254 -3.134 1.00 1.49 C ATOM 124 CE2 PHE A 8 0.789 2.149 -4.221 1.00 2.47 C ATOM 125 CZ PHE A 8 -0.435 1.465 -4.298 1.00 1.08 C ATOM 126 H PHE A 8 1.040 2.363 2.504 1.00 0.22 H ATOM 127 HA PHE A 8 0.521 1.187 0.643 1.00 0.26 H ATOM 128 HB2 PHE A 8 0.213 3.522 -0.024 1.00 0.30 H ATOM 129 HB3 PHE A 8 1.862 3.581 -0.637 1.00 0.50 H ATOM 130 HD1 PHE A 8 -1.323 1.581 -1.005 1.00 2.93 H ATOM 131 HD2 PHE A 8 2.212 3.124 -2.929 1.00 3.55 H ATOM 132 HE1 PHE A 8 -2.139 0.734 -3.194 1.00 2.75 H ATOM 133 HE2 PHE A 8 1.386 2.305 -5.109 1.00 3.89 H ATOM 134 HZ PHE A 8 -0.791 1.106 -5.253 1.00 1.29 H ATOM 135 N LYS A 9 2.674 -0.287 0.509 1.00 0.12 N ATOM 136 CA LYS A 9 3.669 -1.230 -0.007 1.00 0.13 C ATOM 137 C LYS A 9 3.130 -2.007 -1.215 1.00 0.20 C ATOM 138 O LYS A 9 3.255 -3.226 -1.240 1.00 0.27 O ATOM 139 CB LYS A 9 4.138 -2.215 1.081 1.00 0.20 C ATOM 140 CG LYS A 9 5.070 -1.609 2.137 1.00 0.27 C ATOM 141 CD LYS A 9 4.385 -0.861 3.282 1.00 0.33 C ATOM 142 CE LYS A 9 3.647 -1.783 4.267 1.00 0.46 C ATOM 143 NZ LYS A 9 2.239 -2.050 3.905 1.00 1.42 N ATOM 144 H LYS A 9 2.073 -0.540 1.281 1.00 0.13 H ATOM 145 HA LYS A 9 4.535 -0.666 -0.360 1.00 0.14 H ATOM 146 HB2 LYS A 9 3.286 -2.709 1.537 1.00 0.31 H ATOM 147 HB3 LYS A 9 4.721 -2.997 0.595 1.00 0.24 H ATOM 148 HG2 LYS A 9 5.661 -2.415 2.576 1.00 0.38 H ATOM 149 HG3 LYS A 9 5.761 -0.930 1.638 1.00 0.31 H ATOM 150 HD2 LYS A 9 5.172 -0.357 3.845 1.00 0.40 H ATOM 151 HD3 LYS A 9 3.733 -0.089 2.883 1.00 0.30 H ATOM 152 HE2 LYS A 9 4.192 -2.725 4.356 1.00 0.81 H ATOM 153 HE3 LYS A 9 3.652 -1.291 5.241 1.00 1.21 H ATOM 154 HZ1 LYS A 9 2.175 -2.599 3.063 1.00 2.65 H ATOM 155 HZ2 LYS A 9 1.785 -2.554 4.655 1.00 2.15 H ATOM 156 HZ3 LYS A 9 1.757 -1.168 3.782 1.00 1.97 H ATOM 157 N ASN A 10 2.526 -1.336 -2.203 1.00 0.24 N ATOM 158 CA ASN A 10 2.038 -1.892 -3.453 1.00 0.32 C ATOM 159 C ASN A 10 1.425 -3.264 -3.241 1.00 0.35 C ATOM 160 O ASN A 10 1.744 -4.222 -3.935 1.00 0.43 O ATOM 161 CB ASN A 10 3.148 -1.905 -4.494 1.00 0.35 C ATOM 162 CG ASN A 10 3.575 -0.510 -4.870 1.00 0.64 C ATOM 163 OD1 ASN A 10 3.366 0.458 -4.153 1.00 1.43 O ATOM 164 ND2 ASN A 10 4.204 -0.390 -6.013 1.00 0.41 N ATOM 165 H ASN A 10 2.483 -0.332 -2.208 1.00 0.24 H ATOM 166 HA ASN A 10 1.275 -1.223 -3.849 1.00 0.36 H ATOM 167 HB2 ASN A 10 4.025 -2.423 -4.123 1.00 0.36 H ATOM 168 HB3 ASN A 10 2.778 -2.406 -5.385 1.00 0.61 H ATOM 169 HD21 ASN A 10 4.369 -1.176 -6.615 1.00 0.79 H ATOM 170 HD22 ASN A 10 4.571 0.522 -6.173 1.00 0.68 H ATOM 171 N ILE A 11 0.484 -3.339 -2.307 1.00 0.29 N ATOM 172 CA ILE A 11 -0.204 -4.571 -1.948 1.00 0.30 C ATOM 173 C ILE A 11 -1.391 -4.785 -2.893 1.00 0.34 C ATOM 174 O ILE A 11 -2.465 -5.215 -2.482 1.00 0.41 O ATOM 175 CB ILE A 11 -0.581 -4.599 -0.454 1.00 0.25 C ATOM 176 CG1 ILE A 11 -1.169 -3.262 0.019 1.00 0.21 C ATOM 177 CG2 ILE A 11 0.626 -5.023 0.394 1.00 0.28 C ATOM 178 CD1 ILE A 11 -0.131 -2.282 0.593 1.00 0.16 C ATOM 179 H ILE A 11 0.239 -2.478 -1.855 1.00 0.25 H ATOM 180 HA ILE A 11 0.486 -5.390 -2.095 1.00 0.35 H ATOM 181 HB ILE A 11 -1.341 -5.369 -0.308 1.00 0.30 H ATOM 182 HG12 ILE A 11 -1.687 -2.801 -0.822 1.00 0.25 H ATOM 183 HG13 ILE A 11 -1.906 -3.469 0.792 1.00 0.24 H ATOM 184 HG21 ILE A 11 0.931 -6.033 0.113 1.00 1.60 H ATOM 185 HG22 ILE A 11 1.470 -4.354 0.231 1.00 1.61 H ATOM 186 HG23 ILE A 11 0.353 -5.029 1.449 1.00 1.48 H ATOM 187 HD11 ILE A 11 -0.590 -1.301 0.715 1.00 1.26 H ATOM 188 HD12 ILE A 11 0.216 -2.632 1.565 1.00 1.19 H ATOM 189 HD13 ILE A 11 0.730 -2.190 -0.063 1.00 1.16 H ATOM 190 N VAL A 12 -1.188 -4.477 -4.175 1.00 0.38 N ATOM 191 CA VAL A 12 -2.158 -4.698 -5.234 1.00 0.38 C ATOM 192 C VAL A 12 -1.450 -5.373 -6.412 1.00 0.27 C ATOM 193 O VAL A 12 -1.507 -6.595 -6.516 1.00 0.34 O ATOM 194 CB VAL A 12 -2.948 -3.399 -5.526 1.00 0.45 C ATOM 195 CG1 VAL A 12 -2.133 -2.114 -5.302 1.00 0.45 C ATOM 196 CG2 VAL A 12 -3.583 -3.362 -6.922 1.00 0.51 C ATOM 197 H VAL A 12 -0.290 -4.091 -4.425 1.00 0.43 H ATOM 198 HA VAL A 12 -2.879 -5.428 -4.872 1.00 0.46 H ATOM 199 HB VAL A 12 -3.769 -3.371 -4.808 1.00 0.57 H ATOM 200 HG11 VAL A 12 -2.736 -1.250 -5.583 1.00 1.58 H ATOM 201 HG12 VAL A 12 -1.883 -2.011 -4.245 1.00 1.30 H ATOM 202 HG13 VAL A 12 -1.220 -2.116 -5.894 1.00 1.45 H ATOM 203 HG21 VAL A 12 -4.081 -4.310 -7.130 1.00 1.22 H ATOM 204 HG22 VAL A 12 -4.323 -2.563 -6.963 1.00 1.41 H ATOM 205 HG23 VAL A 12 -2.833 -3.173 -7.689 1.00 1.54 H ATOM 206 N THR A 13 -0.723 -4.611 -7.236 1.00 0.42 N ATOM 207 CA THR A 13 -0.005 -5.079 -8.416 1.00 0.47 C ATOM 208 C THR A 13 -0.911 -5.837 -9.409 1.00 0.60 C ATOM 209 O THR A 13 -2.125 -5.925 -9.209 1.00 2.29 O ATOM 210 CB THR A 13 1.294 -5.798 -8.001 1.00 0.81 C ATOM 211 OG1 THR A 13 1.175 -7.203 -8.026 1.00 1.96 O ATOM 212 CG2 THR A 13 1.822 -5.395 -6.624 1.00 0.64 C ATOM 213 H THR A 13 -0.651 -3.627 -7.065 1.00 0.65 H ATOM 214 HA THR A 13 0.309 -4.177 -8.940 1.00 0.49 H ATOM 215 HB THR A 13 2.054 -5.490 -8.709 1.00 1.52 H ATOM 216 HG1 THR A 13 1.957 -7.584 -7.622 1.00 1.92 H ATOM 217 HG21 THR A 13 2.834 -5.778 -6.489 1.00 1.43 H ATOM 218 HG22 THR A 13 1.851 -4.309 -6.544 1.00 2.01 H ATOM 219 HG23 THR A 13 1.190 -5.813 -5.840 1.00 1.57 H ATOM 220 N PRO A 14 -0.391 -6.313 -10.553 1.00 1.23 N ATOM 221 CA PRO A 14 -1.213 -7.007 -11.529 1.00 1.22 C ATOM 222 C PRO A 14 -1.456 -8.449 -11.071 1.00 1.62 C ATOM 223 O PRO A 14 -0.794 -9.371 -11.541 1.00 3.04 O ATOM 224 CB PRO A 14 -0.429 -6.916 -12.843 1.00 3.29 C ATOM 225 CG PRO A 14 1.029 -6.870 -12.388 1.00 4.40 C ATOM 226 CD PRO A 14 0.966 -6.140 -11.048 1.00 3.19 C ATOM 227 HA PRO A 14 -2.173 -6.503 -11.651 1.00 1.63 H ATOM 228 HB2 PRO A 14 -0.621 -7.758 -13.509 1.00 3.53 H ATOM 229 HB3 PRO A 14 -0.676 -5.979 -13.343 1.00 4.16 H ATOM 230 HG2 PRO A 14 1.399 -7.885 -12.232 1.00 4.90 H ATOM 231 HG3 PRO A 14 1.658 -6.341 -13.104 1.00 5.80 H ATOM 232 HD2 PRO A 14 1.698 -6.592 -10.384 1.00 3.69 H ATOM 233 HD3 PRO A 14 1.173 -5.078 -11.191 1.00 3.80 H ATOM 234 N ARG A 15 -2.420 -8.659 -10.168 1.00 2.39 N ATOM 235 CA ARG A 15 -2.838 -9.993 -9.739 1.00 4.22 C ATOM 236 C ARG A 15 -4.256 -9.919 -9.188 1.00 5.59 C ATOM 237 O ARG A 15 -4.465 -9.909 -7.978 1.00 6.69 O ATOM 238 CB ARG A 15 -1.862 -10.568 -8.688 1.00 5.11 C ATOM 239 CG ARG A 15 -0.757 -11.429 -9.324 1.00 5.40 C ATOM 240 CD ARG A 15 -0.667 -12.811 -8.667 1.00 7.15 C ATOM 241 NE ARG A 15 0.031 -12.780 -7.373 1.00 7.87 N ATOM 242 CZ ARG A 15 0.340 -13.872 -6.659 1.00 9.48 C ATOM 243 NH1 ARG A 15 -0.121 -15.066 -7.037 1.00 10.60 N ATOM 244 NH2 ARG A 15 1.112 -13.773 -5.577 1.00 10.27 N ATOM 245 H ARG A 15 -2.914 -7.855 -9.790 1.00 2.50 H ATOM 246 HA ARG A 15 -2.860 -10.652 -10.607 1.00 4.43 H ATOM 247 HB2 ARG A 15 -1.419 -9.753 -8.111 1.00 4.98 H ATOM 248 HB3 ARG A 15 -2.413 -11.198 -7.989 1.00 6.47 H ATOM 249 HG2 ARG A 15 -0.978 -11.595 -10.378 1.00 5.36 H ATOM 250 HG3 ARG A 15 0.203 -10.915 -9.257 1.00 5.13 H ATOM 251 HD2 ARG A 15 -1.674 -13.213 -8.536 1.00 8.37 H ATOM 252 HD3 ARG A 15 -0.118 -13.470 -9.340 1.00 7.17 H ATOM 253 HE ARG A 15 0.333 -11.867 -7.062 1.00 7.35 H ATOM 254 HH11 ARG A 15 -0.725 -15.134 -7.842 1.00 10.38 H ATOM 255 HH12 ARG A 15 0.090 -15.913 -6.533 1.00 11.88 H ATOM 256 HH21 ARG A 15 1.482 -12.881 -5.283 1.00 9.87 H ATOM 257 HH22 ARG A 15 1.368 -14.585 -5.034 1.00 11.49 H ATOM 258 N THR A 16 -5.249 -9.882 -10.069 1.00 5.92 N ATOM 259 CA THR A 16 -6.641 -9.920 -9.655 1.00 7.52 C ATOM 260 C THR A 16 -7.475 -10.327 -10.878 1.00 8.39 C ATOM 261 O THR A 16 -7.058 -10.024 -11.999 1.00 7.76 O ATOM 262 CB THR A 16 -7.008 -8.542 -9.073 1.00 7.69 C ATOM 263 OG1 THR A 16 -8.164 -8.610 -8.273 1.00 8.87 O ATOM 264 CG2 THR A 16 -7.174 -7.471 -10.150 1.00 6.66 C ATOM 265 H THR A 16 -5.085 -9.867 -11.068 1.00 5.34 H ATOM 266 HA THR A 16 -6.742 -10.674 -8.876 1.00 8.23 H ATOM 267 HB THR A 16 -6.201 -8.214 -8.420 1.00 8.33 H ATOM 268 HG1 THR A 16 -7.934 -9.034 -7.443 1.00 9.73 H ATOM 269 HG21 THR A 16 -8.037 -7.705 -10.775 1.00 6.85 H ATOM 270 HG22 THR A 16 -7.336 -6.505 -9.674 1.00 7.05 H ATOM 271 HG23 THR A 16 -6.268 -7.422 -10.757 1.00 6.12 H ATOM 272 N PRO A 17 -8.576 -11.069 -10.696 1.00 9.95 N ATOM 273 CA PRO A 17 -9.501 -11.411 -11.764 1.00 10.98 C ATOM 274 C PRO A 17 -10.453 -10.248 -12.053 1.00 11.38 C ATOM 275 O PRO A 17 -10.482 -9.298 -11.239 1.00 11.66 O ATOM 276 CB PRO A 17 -10.270 -12.620 -11.231 1.00 12.49 C ATOM 277 CG PRO A 17 -10.362 -12.317 -9.736 1.00 12.64 C ATOM 278 CD PRO A 17 -9.040 -11.611 -9.432 1.00 10.96 C ATOM 279 OXT PRO A 17 -11.167 -10.355 -13.071 1.00 11.70 O ATOM 280 HA PRO A 17 -8.969 -11.670 -12.679 1.00 10.61 H ATOM 281 HB2 PRO A 17 -11.256 -12.717 -11.689 1.00 13.50 H ATOM 282 HB3 PRO A 17 -9.682 -13.523 -11.390 1.00 12.50 H ATOM 283 HG2 PRO A 17 -11.194 -11.635 -9.550 1.00 13.16 H ATOM 284 HG3 PRO A 17 -10.475 -13.229 -9.148 1.00 13.44 H ATOM 285 HD2 PRO A 17 -9.199 -10.815 -8.706 1.00 10.89 H ATOM 286 HD3 PRO A 17 -8.313 -12.333 -9.061 1.00 10.81 H TER 287 PRO A 17 ENDMDL MODEL 18 ATOM 1 N GLU A 1 -10.844 5.471 8.589 1.00 2.46 N ATOM 2 CA GLU A 1 -9.933 6.225 7.705 1.00 1.92 C ATOM 3 C GLU A 1 -8.568 5.574 7.832 1.00 1.95 C ATOM 4 O GLU A 1 -8.395 4.758 8.735 1.00 3.29 O ATOM 5 CB GLU A 1 -9.860 7.719 8.074 1.00 2.50 C ATOM 6 CG GLU A 1 -10.916 8.542 7.329 1.00 2.56 C ATOM 7 CD GLU A 1 -12.317 8.034 7.640 1.00 3.89 C ATOM 8 OE1 GLU A 1 -12.598 6.901 7.187 1.00 4.80 O ATOM 9 OE2 GLU A 1 -13.024 8.698 8.422 1.00 4.98 O ATOM 10 H1 GLU A 1 -10.404 5.397 9.496 1.00 2.94 H ATOM 11 H2 GLU A 1 -11.750 5.918 8.645 1.00 2.59 H ATOM 12 H3 GLU A 1 -10.956 4.540 8.219 1.00 2.47 H ATOM 13 HA GLU A 1 -10.285 6.135 6.677 1.00 1.56 H ATOM 14 HB2 GLU A 1 -9.980 7.837 9.152 1.00 3.24 H ATOM 15 HB3 GLU A 1 -8.883 8.117 7.798 1.00 2.70 H ATOM 16 HG2 GLU A 1 -10.824 9.590 7.619 1.00 3.62 H ATOM 17 HG3 GLU A 1 -10.734 8.462 6.256 1.00 2.14 H ATOM 18 N ASN A 2 -7.600 5.944 6.990 1.00 0.90 N ATOM 19 CA ASN A 2 -6.281 5.325 7.031 1.00 0.78 C ATOM 20 C ASN A 2 -5.235 6.400 7.314 1.00 0.49 C ATOM 21 O ASN A 2 -4.542 6.814 6.387 1.00 0.46 O ATOM 22 CB ASN A 2 -5.957 4.633 5.695 1.00 1.13 C ATOM 23 CG ASN A 2 -7.083 3.743 5.186 1.00 1.68 C ATOM 24 OD1 ASN A 2 -7.679 2.982 5.936 1.00 2.30 O ATOM 25 ND2 ASN A 2 -7.415 3.845 3.906 1.00 2.30 N ATOM 26 H ASN A 2 -7.765 6.659 6.296 1.00 1.40 H ATOM 27 HA ASN A 2 -6.261 4.573 7.822 1.00 0.99 H ATOM 28 HB2 ASN A 2 -5.737 5.390 4.941 1.00 1.69 H ATOM 29 HB3 ASN A 2 -5.056 4.037 5.830 1.00 1.31 H ATOM 30 HD21 ASN A 2 -6.936 4.470 3.276 1.00 2.73 H ATOM 31 HD22 ASN A 2 -8.166 3.258 3.582 1.00 2.73 H ATOM 32 N PRO A 3 -5.096 6.880 8.558 1.00 0.56 N ATOM 33 CA PRO A 3 -4.183 7.966 8.885 1.00 0.63 C ATOM 34 C PRO A 3 -2.746 7.446 9.002 1.00 0.80 C ATOM 35 O PRO A 3 -2.155 7.471 10.076 1.00 1.86 O ATOM 36 CB PRO A 3 -4.728 8.529 10.203 1.00 0.90 C ATOM 37 CG PRO A 3 -5.304 7.288 10.888 1.00 1.05 C ATOM 38 CD PRO A 3 -5.891 6.505 9.715 1.00 0.87 C ATOM 39 HA PRO A 3 -4.216 8.730 8.113 1.00 0.58 H ATOM 40 HB2 PRO A 3 -3.966 9.020 10.808 1.00 1.08 H ATOM 41 HB3 PRO A 3 -5.539 9.226 9.986 1.00 0.88 H ATOM 42 HG2 PRO A 3 -4.501 6.714 11.353 1.00 1.14 H ATOM 43 HG3 PRO A 3 -6.068 7.548 11.622 1.00 1.25 H ATOM 44 HD2 PRO A 3 -5.840 5.433 9.908 1.00 0.99 H ATOM 45 HD3 PRO A 3 -6.924 6.816 9.562 1.00 0.95 H ATOM 46 N VAL A 4 -2.197 6.955 7.886 1.00 0.34 N ATOM 47 CA VAL A 4 -0.897 6.287 7.797 1.00 0.26 C ATOM 48 C VAL A 4 -0.619 5.820 6.373 1.00 0.37 C ATOM 49 O VAL A 4 0.536 5.721 5.963 1.00 0.56 O ATOM 50 CB VAL A 4 -0.823 5.089 8.762 1.00 0.29 C ATOM 51 CG1 VAL A 4 -2.007 4.117 8.645 1.00 2.50 C ATOM 52 CG2 VAL A 4 0.531 4.368 8.700 1.00 2.25 C ATOM 53 H VAL A 4 -2.739 7.078 7.042 1.00 1.25 H ATOM 54 HA VAL A 4 -0.125 7.005 8.076 1.00 0.34 H ATOM 55 HB VAL A 4 -0.874 5.482 9.754 1.00 1.81 H ATOM 56 HG11 VAL A 4 -2.936 4.642 8.872 1.00 3.05 H ATOM 57 HG12 VAL A 4 -2.082 3.683 7.652 1.00 3.82 H ATOM 58 HG13 VAL A 4 -1.887 3.317 9.375 1.00 3.24 H ATOM 59 HG21 VAL A 4 1.332 5.106 8.633 1.00 3.68 H ATOM 60 HG22 VAL A 4 0.673 3.785 9.610 1.00 2.97 H ATOM 61 HG23 VAL A 4 0.592 3.707 7.845 1.00 2.80 H ATOM 62 N VAL A 5 -1.667 5.416 5.647 1.00 0.27 N ATOM 63 CA VAL A 5 -1.579 4.837 4.312 1.00 0.36 C ATOM 64 C VAL A 5 -0.923 3.473 4.321 1.00 0.30 C ATOM 65 O VAL A 5 -0.832 2.812 3.290 1.00 0.24 O ATOM 66 CB VAL A 5 -0.921 5.843 3.351 1.00 0.51 C ATOM 67 CG1 VAL A 5 -1.021 5.401 1.892 1.00 0.38 C ATOM 68 CG2 VAL A 5 -1.552 7.231 3.506 1.00 1.24 C ATOM 69 H VAL A 5 -2.581 5.430 6.058 1.00 0.24 H ATOM 70 HA VAL A 5 -2.573 4.608 3.972 1.00 0.45 H ATOM 71 HB VAL A 5 0.130 5.927 3.601 1.00 0.75 H ATOM 72 HG11 VAL A 5 -0.407 4.512 1.747 1.00 1.12 H ATOM 73 HG12 VAL A 5 -2.057 5.180 1.639 1.00 1.53 H ATOM 74 HG13 VAL A 5 -0.636 6.181 1.237 1.00 1.53 H ATOM 75 HG21 VAL A 5 -1.243 7.672 4.453 1.00 2.34 H ATOM 76 HG22 VAL A 5 -1.209 7.886 2.705 1.00 2.19 H ATOM 77 HG23 VAL A 5 -2.638 7.152 3.476 1.00 1.16 H ATOM 78 N HIS A 6 -0.475 3.014 5.486 1.00 0.41 N ATOM 79 CA HIS A 6 0.393 1.875 5.554 1.00 0.39 C ATOM 80 C HIS A 6 1.522 1.963 4.529 1.00 0.30 C ATOM 81 O HIS A 6 1.994 0.936 4.045 1.00 0.29 O ATOM 82 CB HIS A 6 -0.450 0.607 5.404 1.00 0.41 C ATOM 83 CG HIS A 6 -1.419 0.338 6.521 1.00 0.60 C ATOM 84 ND1 HIS A 6 -2.502 -0.509 6.462 1.00 0.78 N ATOM 85 CD2 HIS A 6 -1.329 0.810 7.798 1.00 0.75 C ATOM 86 CE1 HIS A 6 -3.053 -0.537 7.689 1.00 0.96 C ATOM 87 NE2 HIS A 6 -2.376 0.258 8.534 1.00 0.92 N ATOM 88 H HIS A 6 -0.612 3.530 6.342 1.00 0.49 H ATOM 89 HA HIS A 6 0.865 1.906 6.521 1.00 0.48 H ATOM 90 HB2 HIS A 6 -0.992 0.625 4.463 1.00 0.39 H ATOM 91 HB3 HIS A 6 0.231 -0.217 5.363 1.00 0.41 H ATOM 92 HD1 HIS A 6 -2.820 -1.032 5.659 1.00 0.84 H ATOM 93 HD2 HIS A 6 -0.562 1.471 8.165 1.00 0.81 H ATOM 94 HE1 HIS A 6 -3.910 -1.131 7.965 1.00 1.18 H ATOM 95 N PHE A 7 1.978 3.179 4.206 1.00 0.33 N ATOM 96 CA PHE A 7 3.032 3.432 3.235 1.00 0.34 C ATOM 97 C PHE A 7 2.790 2.852 1.837 1.00 0.27 C ATOM 98 O PHE A 7 3.682 2.926 1.000 1.00 0.36 O ATOM 99 CB PHE A 7 4.339 2.909 3.819 1.00 0.39 C ATOM 100 CG PHE A 7 5.338 4.001 4.082 1.00 0.68 C ATOM 101 CD1 PHE A 7 6.140 4.464 3.027 1.00 2.43 C ATOM 102 CD2 PHE A 7 5.437 4.570 5.361 1.00 1.38 C ATOM 103 CE1 PHE A 7 7.086 5.475 3.265 1.00 2.69 C ATOM 104 CE2 PHE A 7 6.401 5.564 5.605 1.00 1.29 C ATOM 105 CZ PHE A 7 7.228 6.012 4.557 1.00 1.26 C ATOM 106 H PHE A 7 1.603 3.994 4.673 1.00 0.40 H ATOM 107 HA PHE A 7 3.118 4.512 3.113 1.00 0.42 H ATOM 108 HB2 PHE A 7 4.138 2.368 4.741 1.00 0.42 H ATOM 109 HB3 PHE A 7 4.778 2.194 3.135 1.00 0.31 H ATOM 110 HD1 PHE A 7 6.007 4.039 2.041 1.00 3.68 H ATOM 111 HD2 PHE A 7 4.761 4.242 6.141 1.00 2.75 H ATOM 112 HE1 PHE A 7 7.703 5.837 2.455 1.00 4.13 H ATOM 113 HE2 PHE A 7 6.502 5.990 6.592 1.00 2.47 H ATOM 114 HZ PHE A 7 7.964 6.781 4.742 1.00 1.49 H ATOM 115 N PHE A 8 1.611 2.281 1.591 1.00 0.18 N ATOM 116 CA PHE A 8 1.244 1.550 0.391 1.00 0.24 C ATOM 117 C PHE A 8 2.370 0.621 -0.075 1.00 0.27 C ATOM 118 O PHE A 8 3.022 0.880 -1.081 1.00 0.34 O ATOM 119 CB PHE A 8 0.797 2.542 -0.691 1.00 0.36 C ATOM 120 CG PHE A 8 -0.089 1.931 -1.755 1.00 0.53 C ATOM 121 CD1 PHE A 8 0.466 1.309 -2.889 1.00 1.73 C ATOM 122 CD2 PHE A 8 -1.488 2.008 -1.613 1.00 2.07 C ATOM 123 CE1 PHE A 8 -0.375 0.777 -3.882 1.00 1.68 C ATOM 124 CE2 PHE A 8 -2.328 1.487 -2.609 1.00 2.29 C ATOM 125 CZ PHE A 8 -1.771 0.880 -3.747 1.00 1.04 C ATOM 126 H PHE A 8 0.948 2.279 2.349 1.00 0.16 H ATOM 127 HA PHE A 8 0.380 0.935 0.643 1.00 0.24 H ATOM 128 HB2 PHE A 8 0.236 3.346 -0.215 1.00 0.32 H ATOM 129 HB3 PHE A 8 1.669 3.003 -1.158 1.00 0.54 H ATOM 130 HD1 PHE A 8 1.539 1.256 -3.016 1.00 3.11 H ATOM 131 HD2 PHE A 8 -1.920 2.489 -0.747 1.00 3.34 H ATOM 132 HE1 PHE A 8 0.054 0.317 -4.760 1.00 2.92 H ATOM 133 HE2 PHE A 8 -3.401 1.568 -2.510 1.00 3.69 H ATOM 134 HZ PHE A 8 -2.424 0.511 -4.520 1.00 1.25 H ATOM 135 N LYS A 9 2.605 -0.497 0.623 1.00 0.24 N ATOM 136 CA LYS A 9 3.639 -1.441 0.193 1.00 0.28 C ATOM 137 C LYS A 9 3.151 -2.331 -0.967 1.00 0.32 C ATOM 138 O LYS A 9 3.152 -3.550 -0.835 1.00 0.45 O ATOM 139 CB LYS A 9 4.147 -2.293 1.372 1.00 0.28 C ATOM 140 CG LYS A 9 5.335 -1.643 2.094 1.00 0.26 C ATOM 141 CD LYS A 9 4.893 -0.676 3.184 1.00 0.45 C ATOM 142 CE LYS A 9 4.398 -1.490 4.380 1.00 0.66 C ATOM 143 NZ LYS A 9 3.963 -0.604 5.467 1.00 2.11 N ATOM 144 H LYS A 9 2.059 -0.695 1.451 1.00 0.22 H ATOM 145 HA LYS A 9 4.484 -0.855 -0.165 1.00 0.30 H ATOM 146 HB2 LYS A 9 3.335 -2.528 2.059 1.00 0.40 H ATOM 147 HB3 LYS A 9 4.527 -3.234 0.992 1.00 0.47 H ATOM 148 HG2 LYS A 9 5.941 -2.424 2.554 1.00 0.29 H ATOM 149 HG3 LYS A 9 5.961 -1.118 1.373 1.00 0.50 H ATOM 150 HD2 LYS A 9 5.751 -0.074 3.486 1.00 0.66 H ATOM 151 HD3 LYS A 9 4.108 -0.026 2.803 1.00 0.42 H ATOM 152 HE2 LYS A 9 3.559 -2.118 4.071 1.00 0.96 H ATOM 153 HE3 LYS A 9 5.207 -2.135 4.730 1.00 1.23 H ATOM 154 HZ1 LYS A 9 3.717 -1.140 6.286 1.00 2.42 H ATOM 155 HZ2 LYS A 9 4.696 0.056 5.684 1.00 3.41 H ATOM 156 HZ3 LYS A 9 3.151 -0.097 5.145 1.00 2.47 H ATOM 157 N ASN A 10 2.728 -1.750 -2.096 1.00 0.32 N ATOM 158 CA ASN A 10 2.290 -2.401 -3.322 1.00 0.36 C ATOM 159 C ASN A 10 1.572 -3.711 -3.059 1.00 0.28 C ATOM 160 O ASN A 10 1.867 -4.743 -3.652 1.00 0.36 O ATOM 161 CB ASN A 10 3.448 -2.546 -4.296 1.00 0.51 C ATOM 162 CG ASN A 10 3.866 -1.199 -4.822 1.00 0.77 C ATOM 163 OD1 ASN A 10 3.494 -0.152 -4.308 1.00 1.33 O ATOM 164 ND2 ASN A 10 4.650 -1.220 -5.874 1.00 0.79 N ATOM 165 H ASN A 10 2.757 -0.751 -2.201 1.00 0.37 H ATOM 166 HA ASN A 10 1.586 -1.734 -3.820 1.00 0.38 H ATOM 167 HB2 ASN A 10 4.309 -3.004 -3.821 1.00 0.68 H ATOM 168 HB3 ASN A 10 3.124 -3.152 -5.138 1.00 0.53 H ATOM 169 HD21 ASN A 10 4.925 -2.082 -6.311 1.00 1.05 H ATOM 170 HD22 ASN A 10 4.976 -0.327 -6.163 1.00 0.95 H ATOM 171 N ILE A 11 0.541 -3.625 -2.229 1.00 0.19 N ATOM 172 CA ILE A 11 -0.318 -4.739 -1.866 1.00 0.29 C ATOM 173 C ILE A 11 -1.417 -4.894 -2.927 1.00 0.30 C ATOM 174 O ILE A 11 -2.562 -5.203 -2.612 1.00 0.50 O ATOM 175 CB ILE A 11 -0.859 -4.572 -0.433 1.00 0.43 C ATOM 176 CG1 ILE A 11 -1.343 -3.137 -0.173 1.00 0.41 C ATOM 177 CG2 ILE A 11 0.193 -5.015 0.594 1.00 0.53 C ATOM 178 CD1 ILE A 11 -0.277 -2.198 0.412 1.00 0.32 C ATOM 179 H ILE A 11 0.340 -2.709 -1.871 1.00 0.16 H ATOM 180 HA ILE A 11 0.278 -5.640 -1.864 1.00 0.39 H ATOM 181 HB ILE A 11 -1.711 -5.241 -0.307 1.00 0.57 H ATOM 182 HG12 ILE A 11 -1.717 -2.729 -1.111 1.00 0.40 H ATOM 183 HG13 ILE A 11 -2.177 -3.181 0.525 1.00 0.57 H ATOM 184 HG21 ILE A 11 0.378 -6.084 0.485 1.00 1.62 H ATOM 185 HG22 ILE A 11 1.134 -4.488 0.443 1.00 1.37 H ATOM 186 HG23 ILE A 11 -0.173 -4.828 1.604 1.00 1.88 H ATOM 187 HD11 ILE A 11 -0.593 -1.165 0.274 1.00 1.40 H ATOM 188 HD12 ILE A 11 -0.155 -2.395 1.477 1.00 1.15 H ATOM 189 HD13 ILE A 11 0.688 -2.341 -0.069 1.00 1.17 H ATOM 190 N VAL A 12 -1.073 -4.662 -4.197 1.00 0.26 N ATOM 191 CA VAL A 12 -1.992 -4.820 -5.313 1.00 0.31 C ATOM 192 C VAL A 12 -1.251 -5.384 -6.531 1.00 0.28 C ATOM 193 O VAL A 12 -1.352 -6.583 -6.764 1.00 0.34 O ATOM 194 CB VAL A 12 -2.800 -3.524 -5.526 1.00 0.38 C ATOM 195 CG1 VAL A 12 -1.997 -2.242 -5.269 1.00 0.40 C ATOM 196 CG2 VAL A 12 -3.453 -3.435 -6.909 1.00 0.48 C ATOM 197 H VAL A 12 -0.119 -4.392 -4.391 1.00 0.32 H ATOM 198 HA VAL A 12 -2.710 -5.589 -5.032 1.00 0.38 H ATOM 199 HB VAL A 12 -3.608 -3.538 -4.793 1.00 0.46 H ATOM 200 HG11 VAL A 12 -1.813 -2.130 -4.201 1.00 1.51 H ATOM 201 HG12 VAL A 12 -1.049 -2.246 -5.799 1.00 1.64 H ATOM 202 HG13 VAL A 12 -2.585 -1.391 -5.611 1.00 1.56 H ATOM 203 HG21 VAL A 12 -3.862 -4.405 -7.196 1.00 1.24 H ATOM 204 HG22 VAL A 12 -4.267 -2.709 -6.878 1.00 1.30 H ATOM 205 HG23 VAL A 12 -2.726 -3.098 -7.642 1.00 1.60 H ATOM 206 N THR A 13 -0.504 -4.561 -7.282 1.00 0.41 N ATOM 207 CA THR A 13 0.312 -4.946 -8.440 1.00 0.43 C ATOM 208 C THR A 13 -0.294 -6.101 -9.259 1.00 0.40 C ATOM 209 O THR A 13 0.198 -7.229 -9.207 1.00 1.28 O ATOM 210 CB THR A 13 1.770 -5.187 -7.996 1.00 0.75 C ATOM 211 OG1 THR A 13 2.549 -5.672 -9.064 1.00 1.91 O ATOM 212 CG2 THR A 13 1.935 -6.128 -6.801 1.00 0.61 C ATOM 213 H THR A 13 -0.474 -3.588 -7.033 1.00 0.61 H ATOM 214 HA THR A 13 0.354 -4.086 -9.105 1.00 0.55 H ATOM 215 HB THR A 13 2.183 -4.222 -7.703 1.00 1.46 H ATOM 216 HG1 THR A 13 2.184 -6.528 -9.324 1.00 1.94 H ATOM 217 HG21 THR A 13 2.997 -6.252 -6.586 1.00 1.55 H ATOM 218 HG22 THR A 13 1.461 -5.700 -5.922 1.00 1.58 H ATOM 219 HG23 THR A 13 1.492 -7.101 -7.011 1.00 2.00 H ATOM 220 N PRO A 14 -1.340 -5.828 -10.054 1.00 0.59 N ATOM 221 CA PRO A 14 -2.032 -6.849 -10.814 1.00 0.69 C ATOM 222 C PRO A 14 -1.176 -7.307 -11.994 1.00 0.82 C ATOM 223 O PRO A 14 -0.117 -6.752 -12.281 1.00 1.74 O ATOM 224 CB PRO A 14 -3.331 -6.182 -11.275 1.00 1.68 C ATOM 225 CG PRO A 14 -2.910 -4.726 -11.462 1.00 2.18 C ATOM 226 CD PRO A 14 -1.899 -4.519 -10.334 1.00 1.59 C ATOM 227 HA PRO A 14 -2.257 -7.705 -10.176 1.00 1.03 H ATOM 228 HB2 PRO A 14 -3.725 -6.613 -12.195 1.00 1.83 H ATOM 229 HB3 PRO A 14 -4.073 -6.245 -10.477 1.00 2.14 H ATOM 230 HG2 PRO A 14 -2.415 -4.608 -12.427 1.00 2.40 H ATOM 231 HG3 PRO A 14 -3.756 -4.045 -11.376 1.00 2.89 H ATOM 232 HD2 PRO A 14 -1.129 -3.818 -10.655 1.00 1.87 H ATOM 233 HD3 PRO A 14 -2.415 -4.154 -9.451 1.00 1.93 H ATOM 234 N ARG A 15 -1.659 -8.321 -12.710 1.00 1.71 N ATOM 235 CA ARG A 15 -0.996 -8.829 -13.897 1.00 2.55 C ATOM 236 C ARG A 15 -1.758 -8.323 -15.102 1.00 4.08 C ATOM 237 O ARG A 15 -2.794 -8.882 -15.453 1.00 5.30 O ATOM 238 CB ARG A 15 -0.955 -10.359 -13.865 1.00 3.57 C ATOM 239 CG ARG A 15 0.275 -10.810 -13.080 1.00 3.90 C ATOM 240 CD ARG A 15 0.265 -12.331 -12.907 1.00 5.65 C ATOM 241 NE ARG A 15 -0.811 -12.746 -11.995 1.00 6.49 N ATOM 242 CZ ARG A 15 -1.360 -13.965 -11.921 1.00 8.32 C ATOM 243 NH1 ARG A 15 -0.956 -14.938 -12.739 1.00 9.35 N ATOM 244 NH2 ARG A 15 -2.317 -14.210 -11.023 1.00 9.45 N ATOM 245 H ARG A 15 -2.586 -8.663 -12.506 1.00 2.44 H ATOM 246 HA ARG A 15 0.026 -8.446 -13.949 1.00 2.47 H ATOM 247 HB2 ARG A 15 -1.870 -10.744 -13.415 1.00 4.38 H ATOM 248 HB3 ARG A 15 -0.875 -10.752 -14.878 1.00 4.28 H ATOM 249 HG2 ARG A 15 1.164 -10.512 -13.637 1.00 3.82 H ATOM 250 HG3 ARG A 15 0.291 -10.321 -12.105 1.00 3.88 H ATOM 251 HD2 ARG A 15 0.132 -12.790 -13.887 1.00 6.54 H ATOM 252 HD3 ARG A 15 1.224 -12.648 -12.494 1.00 5.97 H ATOM 253 HE ARG A 15 -1.140 -12.013 -11.384 1.00 6.00 H ATOM 254 HH11 ARG A 15 -0.227 -14.754 -13.410 1.00 8.95 H ATOM 255 HH12 ARG A 15 -1.356 -15.863 -12.717 1.00 10.76 H ATOM 256 HH21 ARG A 15 -2.625 -13.490 -10.385 1.00 9.13 H ATOM 257 HH22 ARG A 15 -2.750 -15.116 -10.943 1.00 10.86 H ATOM 258 N THR A 16 -1.241 -7.277 -15.731 1.00 4.77 N ATOM 259 CA THR A 16 -1.782 -6.745 -16.960 1.00 6.57 C ATOM 260 C THR A 16 -0.599 -6.389 -17.852 1.00 7.35 C ATOM 261 O THR A 16 0.494 -6.154 -17.332 1.00 6.92 O ATOM 262 CB THR A 16 -2.638 -5.510 -16.657 1.00 7.39 C ATOM 263 OG1 THR A 16 -1.869 -4.503 -16.037 1.00 7.72 O ATOM 264 CG2 THR A 16 -3.832 -5.858 -15.761 1.00 6.81 C ATOM 265 H THR A 16 -0.407 -6.808 -15.402 1.00 4.56 H ATOM 266 HA THR A 16 -2.395 -7.500 -17.452 1.00 7.14 H ATOM 267 HB THR A 16 -3.019 -5.119 -17.594 1.00 8.64 H ATOM 268 HG1 THR A 16 -1.327 -4.095 -16.734 1.00 8.46 H ATOM 269 HG21 THR A 16 -4.470 -4.980 -15.649 1.00 7.23 H ATOM 270 HG22 THR A 16 -4.412 -6.660 -16.220 1.00 6.95 H ATOM 271 HG23 THR A 16 -3.495 -6.176 -14.774 1.00 6.46 H ATOM 272 N PRO A 17 -0.798 -6.338 -19.171 1.00 8.82 N ATOM 273 CA PRO A 17 0.108 -5.627 -20.044 1.00 10.03 C ATOM 274 C PRO A 17 -0.106 -4.119 -19.844 1.00 11.07 C ATOM 275 O PRO A 17 -0.863 -3.753 -18.910 1.00 10.91 O ATOM 276 CB PRO A 17 -0.275 -6.107 -21.444 1.00 11.27 C ATOM 277 CG PRO A 17 -1.790 -6.281 -21.334 1.00 11.55 C ATOM 278 CD PRO A 17 -2.000 -6.730 -19.885 1.00 9.86 C ATOM 279 OXT PRO A 17 0.488 -3.363 -20.642 1.00 12.29 O ATOM 280 HA PRO A 17 1.146 -5.876 -19.823 1.00 9.58 H ATOM 281 HB2 PRO A 17 0.004 -5.397 -22.223 1.00 12.48 H ATOM 282 HB3 PRO A 17 0.188 -7.078 -21.628 1.00 10.86 H ATOM 283 HG2 PRO A 17 -2.278 -5.319 -21.494 1.00 12.43 H ATOM 284 HG3 PRO A 17 -2.162 -7.024 -22.041 1.00 12.20 H ATOM 285 HD2 PRO A 17 -2.883 -6.242 -19.473 1.00 10.10 H ATOM 286 HD3 PRO A 17 -2.108 -7.814 -19.843 1.00 9.48 H TER 287 PRO A 17 ENDMDL MODEL 19 ATOM 1 N GLU A 1 -10.670 5.704 7.594 1.00 2.34 N ATOM 2 CA GLU A 1 -9.772 5.923 6.448 1.00 2.02 C ATOM 3 C GLU A 1 -8.384 5.815 7.046 1.00 1.74 C ATOM 4 O GLU A 1 -8.242 6.194 8.201 1.00 2.36 O ATOM 5 CB GLU A 1 -10.115 7.266 5.785 1.00 2.20 C ATOM 6 CG GLU A 1 -9.429 7.480 4.433 1.00 2.83 C ATOM 7 CD GLU A 1 -8.147 8.295 4.577 1.00 4.06 C ATOM 8 OE1 GLU A 1 -7.323 7.883 5.420 1.00 5.22 O ATOM 9 OE2 GLU A 1 -8.033 9.322 3.876 1.00 4.54 O ATOM 10 H1 GLU A 1 -10.256 6.195 8.382 1.00 2.36 H ATOM 11 H2 GLU A 1 -11.595 6.053 7.399 1.00 2.53 H ATOM 12 H3 GLU A 1 -10.688 4.723 7.825 1.00 2.38 H ATOM 13 HA GLU A 1 -9.896 5.125 5.716 1.00 2.04 H ATOM 14 HB2 GLU A 1 -11.191 7.265 5.605 1.00 3.45 H ATOM 15 HB3 GLU A 1 -9.900 8.094 6.464 1.00 2.24 H ATOM 16 HG2 GLU A 1 -9.211 6.513 3.976 1.00 3.50 H ATOM 17 HG3 GLU A 1 -10.118 8.017 3.777 1.00 3.11 H ATOM 18 N ASN A 2 -7.449 5.128 6.398 1.00 1.34 N ATOM 19 CA ASN A 2 -6.172 4.798 7.017 1.00 0.99 C ATOM 20 C ASN A 2 -5.238 6.007 7.024 1.00 0.74 C ATOM 21 O ASN A 2 -4.544 6.220 6.031 1.00 0.69 O ATOM 22 CB ASN A 2 -5.492 3.584 6.345 1.00 1.19 C ATOM 23 CG ASN A 2 -5.469 3.538 4.812 1.00 2.12 C ATOM 24 OD1 ASN A 2 -6.321 4.085 4.125 1.00 3.22 O ATOM 25 ND2 ASN A 2 -4.534 2.796 4.233 1.00 2.82 N ATOM 26 H ASN A 2 -7.564 4.932 5.412 1.00 1.68 H ATOM 27 HA ASN A 2 -6.372 4.511 8.048 1.00 0.95 H ATOM 28 HB2 ASN A 2 -4.467 3.542 6.703 1.00 2.18 H ATOM 29 HB3 ASN A 2 -5.979 2.685 6.704 1.00 1.63 H ATOM 30 HD21 ASN A 2 -3.863 2.262 4.761 1.00 3.01 H ATOM 31 HD22 ASN A 2 -4.572 2.751 3.225 1.00 3.71 H ATOM 32 N PRO A 3 -5.049 6.701 8.167 1.00 0.69 N ATOM 33 CA PRO A 3 -4.264 7.931 8.239 1.00 0.63 C ATOM 34 C PRO A 3 -2.754 7.717 8.124 1.00 0.56 C ATOM 35 O PRO A 3 -1.969 8.626 8.381 1.00 0.96 O ATOM 36 CB PRO A 3 -4.621 8.538 9.600 1.00 0.77 C ATOM 37 CG PRO A 3 -4.806 7.289 10.458 1.00 0.87 C ATOM 38 CD PRO A 3 -5.592 6.410 9.491 1.00 0.85 C ATOM 39 HA PRO A 3 -4.561 8.590 7.431 1.00 0.69 H ATOM 40 HB2 PRO A 3 -3.848 9.197 9.994 1.00 0.81 H ATOM 41 HB3 PRO A 3 -5.571 9.070 9.523 1.00 0.93 H ATOM 42 HG2 PRO A 3 -3.841 6.838 10.688 1.00 0.91 H ATOM 43 HG3 PRO A 3 -5.371 7.497 11.367 1.00 1.04 H ATOM 44 HD2 PRO A 3 -5.531 5.356 9.754 1.00 0.97 H ATOM 45 HD3 PRO A 3 -6.620 6.742 9.562 1.00 0.89 H ATOM 46 N VAL A 4 -2.340 6.517 7.738 1.00 0.37 N ATOM 47 CA VAL A 4 -0.951 6.122 7.604 1.00 0.24 C ATOM 48 C VAL A 4 -0.674 5.498 6.237 1.00 0.20 C ATOM 49 O VAL A 4 0.475 5.196 5.913 1.00 0.23 O ATOM 50 CB VAL A 4 -0.626 5.134 8.727 1.00 0.29 C ATOM 51 CG1 VAL A 4 -0.467 5.878 10.055 1.00 1.14 C ATOM 52 CG2 VAL A 4 -1.704 4.051 8.893 1.00 0.89 C ATOM 53 H VAL A 4 -3.050 5.819 7.595 1.00 0.70 H ATOM 54 HA VAL A 4 -0.304 6.995 7.702 1.00 0.40 H ATOM 55 HB VAL A 4 0.307 4.647 8.465 1.00 0.82 H ATOM 56 HG11 VAL A 4 0.295 6.653 9.956 1.00 2.31 H ATOM 57 HG12 VAL A 4 -1.409 6.348 10.338 1.00 2.05 H ATOM 58 HG13 VAL A 4 -0.163 5.181 10.837 1.00 1.77 H ATOM 59 HG21 VAL A 4 -1.349 3.297 9.595 1.00 1.79 H ATOM 60 HG22 VAL A 4 -2.623 4.482 9.291 1.00 1.87 H ATOM 61 HG23 VAL A 4 -1.915 3.571 7.940 1.00 1.75 H ATOM 62 N VAL A 5 -1.725 5.224 5.455 1.00 0.25 N ATOM 63 CA VAL A 5 -1.660 4.613 4.131 1.00 0.29 C ATOM 64 C VAL A 5 -0.944 3.267 4.121 1.00 0.24 C ATOM 65 O VAL A 5 -0.745 2.656 3.074 1.00 0.25 O ATOM 66 CB VAL A 5 -1.141 5.689 3.158 1.00 0.34 C ATOM 67 CG1 VAL A 5 -0.661 5.155 1.809 1.00 0.37 C ATOM 68 CG2 VAL A 5 -2.267 6.704 2.925 1.00 0.47 C ATOM 69 H VAL A 5 -2.625 5.572 5.728 1.00 0.36 H ATOM 70 HA VAL A 5 -2.665 4.341 3.837 1.00 0.37 H ATOM 71 HB VAL A 5 -0.307 6.216 3.624 1.00 0.34 H ATOM 72 HG11 VAL A 5 0.256 4.587 1.963 1.00 1.44 H ATOM 73 HG12 VAL A 5 -1.426 4.516 1.370 1.00 1.24 H ATOM 74 HG13 VAL A 5 -0.445 5.984 1.136 1.00 1.46 H ATOM 75 HG21 VAL A 5 -2.576 7.147 3.871 1.00 1.36 H ATOM 76 HG22 VAL A 5 -1.919 7.499 2.267 1.00 1.67 H ATOM 77 HG23 VAL A 5 -3.125 6.210 2.469 1.00 1.40 H ATOM 78 N HIS A 6 -0.615 2.737 5.297 1.00 0.21 N ATOM 79 CA HIS A 6 0.258 1.606 5.441 1.00 0.19 C ATOM 80 C HIS A 6 1.478 1.718 4.528 1.00 0.18 C ATOM 81 O HIS A 6 1.937 0.702 4.008 1.00 0.19 O ATOM 82 CB HIS A 6 -0.563 0.339 5.199 1.00 0.21 C ATOM 83 CG HIS A 6 -1.655 0.096 6.209 1.00 0.33 C ATOM 84 ND1 HIS A 6 -2.784 -0.672 6.025 1.00 0.50 N ATOM 85 CD2 HIS A 6 -1.669 0.549 7.498 1.00 0.43 C ATOM 86 CE1 HIS A 6 -3.463 -0.669 7.186 1.00 0.61 C ATOM 87 NE2 HIS A 6 -2.828 0.072 8.107 1.00 0.57 N ATOM 88 H HIS A 6 -0.846 3.219 6.145 1.00 0.23 H ATOM 89 HA HIS A 6 0.638 1.616 6.455 1.00 0.22 H ATOM 90 HB2 HIS A 6 -0.994 0.367 4.201 1.00 0.21 H ATOM 91 HB3 HIS A 6 0.111 -0.495 5.229 1.00 0.22 H ATOM 92 HD1 HIS A 6 -3.044 -1.179 5.191 1.00 0.58 H ATOM 93 HD2 HIS A 6 -0.902 1.151 7.957 1.00 0.49 H ATOM 94 HE1 HIS A 6 -4.388 -1.201 7.366 1.00 0.77 H ATOM 95 N PHE A 7 2.001 2.937 4.334 1.00 0.21 N ATOM 96 CA PHE A 7 3.145 3.244 3.479 1.00 0.27 C ATOM 97 C PHE A 7 3.021 2.753 2.027 1.00 0.30 C ATOM 98 O PHE A 7 3.993 2.797 1.281 1.00 0.39 O ATOM 99 CB PHE A 7 4.401 2.700 4.156 1.00 0.28 C ATOM 100 CG PHE A 7 5.302 3.771 4.730 1.00 0.39 C ATOM 101 CD1 PHE A 7 4.969 4.392 5.948 1.00 1.81 C ATOM 102 CD2 PHE A 7 6.462 4.164 4.037 1.00 1.90 C ATOM 103 CE1 PHE A 7 5.800 5.395 6.477 1.00 1.85 C ATOM 104 CE2 PHE A 7 7.294 5.166 4.568 1.00 1.92 C ATOM 105 CZ PHE A 7 6.964 5.780 5.789 1.00 0.61 C ATOM 106 H PHE A 7 1.594 3.727 4.819 1.00 0.23 H ATOM 107 HA PHE A 7 3.237 4.330 3.427 1.00 0.31 H ATOM 108 HB2 PHE A 7 4.117 2.009 4.947 1.00 0.28 H ATOM 109 HB3 PHE A 7 4.944 2.111 3.429 1.00 0.30 H ATOM 110 HD1 PHE A 7 4.073 4.104 6.477 1.00 3.16 H ATOM 111 HD2 PHE A 7 6.715 3.700 3.094 1.00 3.27 H ATOM 112 HE1 PHE A 7 5.543 5.872 7.413 1.00 3.21 H ATOM 113 HE2 PHE A 7 8.185 5.466 4.038 1.00 3.28 H ATOM 114 HZ PHE A 7 7.602 6.552 6.196 1.00 0.70 H ATOM 115 N PHE A 8 1.832 2.300 1.634 1.00 0.26 N ATOM 116 CA PHE A 8 1.490 1.694 0.355 1.00 0.28 C ATOM 117 C PHE A 8 2.604 0.779 -0.158 1.00 0.25 C ATOM 118 O PHE A 8 3.241 1.050 -1.173 1.00 0.30 O ATOM 119 CB PHE A 8 1.088 2.773 -0.658 1.00 0.36 C ATOM 120 CG PHE A 8 0.489 2.203 -1.930 1.00 0.52 C ATOM 121 CD1 PHE A 8 -0.833 1.719 -1.927 1.00 1.58 C ATOM 122 CD2 PHE A 8 1.254 2.127 -3.109 1.00 2.18 C ATOM 123 CE1 PHE A 8 -1.384 1.159 -3.092 1.00 1.59 C ATOM 124 CE2 PHE A 8 0.706 1.561 -4.273 1.00 2.30 C ATOM 125 CZ PHE A 8 -0.613 1.077 -4.265 1.00 0.91 C ATOM 126 H PHE A 8 1.128 2.296 2.349 1.00 0.24 H ATOM 127 HA PHE A 8 0.609 1.074 0.524 1.00 0.27 H ATOM 128 HB2 PHE A 8 0.345 3.427 -0.200 1.00 0.35 H ATOM 129 HB3 PHE A 8 1.959 3.385 -0.901 1.00 0.40 H ATOM 130 HD1 PHE A 8 -1.430 1.782 -1.028 1.00 2.95 H ATOM 131 HD2 PHE A 8 2.271 2.494 -3.117 1.00 3.51 H ATOM 132 HE1 PHE A 8 -2.402 0.797 -3.090 1.00 2.89 H ATOM 133 HE2 PHE A 8 1.297 1.499 -5.176 1.00 3.69 H ATOM 134 HZ PHE A 8 -1.034 0.649 -5.164 1.00 1.07 H ATOM 135 N LYS A 9 2.812 -0.366 0.501 1.00 0.18 N ATOM 136 CA LYS A 9 3.811 -1.330 0.026 1.00 0.17 C ATOM 137 C LYS A 9 3.270 -2.186 -1.129 1.00 0.16 C ATOM 138 O LYS A 9 3.433 -3.400 -1.100 1.00 0.22 O ATOM 139 CB LYS A 9 4.307 -2.222 1.180 1.00 0.17 C ATOM 140 CG LYS A 9 5.326 -1.531 2.099 1.00 0.21 C ATOM 141 CD LYS A 9 4.674 -0.921 3.336 1.00 0.31 C ATOM 142 CE LYS A 9 4.120 -2.036 4.236 1.00 0.45 C ATOM 143 NZ LYS A 9 2.725 -1.778 4.645 1.00 1.04 N ATOM 144 H LYS A 9 2.251 -0.566 1.319 1.00 0.17 H ATOM 145 HA LYS A 9 4.665 -0.779 -0.374 1.00 0.22 H ATOM 146 HB2 LYS A 9 3.456 -2.603 1.746 1.00 0.20 H ATOM 147 HB3 LYS A 9 4.817 -3.085 0.760 1.00 0.22 H ATOM 148 HG2 LYS A 9 6.060 -2.267 2.430 1.00 0.28 H ATOM 149 HG3 LYS A 9 5.854 -0.754 1.545 1.00 0.25 H ATOM 150 HD2 LYS A 9 5.421 -0.355 3.893 1.00 0.37 H ATOM 151 HD3 LYS A 9 3.895 -0.239 3.009 1.00 0.34 H ATOM 152 HE2 LYS A 9 4.168 -2.986 3.701 1.00 0.83 H ATOM 153 HE3 LYS A 9 4.752 -2.118 5.123 1.00 0.90 H ATOM 154 HZ1 LYS A 9 2.671 -0.888 5.125 1.00 1.63 H ATOM 155 HZ2 LYS A 9 2.134 -1.684 3.832 1.00 1.78 H ATOM 156 HZ3 LYS A 9 2.379 -2.517 5.240 1.00 1.75 H ATOM 157 N ASN A 10 2.637 -1.581 -2.144 1.00 0.16 N ATOM 158 CA ASN A 10 2.134 -2.217 -3.350 1.00 0.20 C ATOM 159 C ASN A 10 1.551 -3.588 -3.054 1.00 0.20 C ATOM 160 O ASN A 10 1.844 -4.584 -3.705 1.00 0.25 O ATOM 161 CB ASN A 10 3.228 -2.227 -4.417 1.00 0.23 C ATOM 162 CG ASN A 10 2.918 -1.279 -5.544 1.00 1.01 C ATOM 163 OD1 ASN A 10 1.780 -1.144 -5.977 1.00 2.39 O ATOM 164 ND2 ASN A 10 3.948 -0.660 -6.079 1.00 0.46 N ATOM 165 H ASN A 10 2.526 -0.586 -2.158 1.00 0.19 H ATOM 166 HA ASN A 10 1.316 -1.599 -3.720 1.00 0.24 H ATOM 167 HB2 ASN A 10 4.192 -2.003 -3.963 1.00 0.57 H ATOM 168 HB3 ASN A 10 3.298 -3.183 -4.902 1.00 0.69 H ATOM 169 HD21 ASN A 10 4.886 -0.774 -5.730 1.00 1.04 H ATOM 170 HD22 ASN A 10 3.738 -0.148 -6.906 1.00 1.10 H ATOM 171 N ILE A 11 0.636 -3.608 -2.092 1.00 0.21 N ATOM 172 CA ILE A 11 -0.084 -4.800 -1.674 1.00 0.24 C ATOM 173 C ILE A 11 -1.269 -5.037 -2.621 1.00 0.26 C ATOM 174 O ILE A 11 -2.352 -5.427 -2.195 1.00 0.36 O ATOM 175 CB ILE A 11 -0.481 -4.723 -0.187 1.00 0.26 C ATOM 176 CG1 ILE A 11 -1.079 -3.357 0.181 1.00 0.25 C ATOM 177 CG2 ILE A 11 0.721 -5.081 0.699 1.00 0.27 C ATOM 178 CD1 ILE A 11 -0.054 -2.350 0.723 1.00 0.22 C ATOM 179 H ILE A 11 0.424 -2.718 -1.681 1.00 0.23 H ATOM 180 HA ILE A 11 0.589 -5.640 -1.760 1.00 0.26 H ATOM 181 HB ILE A 11 -1.241 -5.483 0.002 1.00 0.32 H ATOM 182 HG12 ILE A 11 -1.568 -2.946 -0.702 1.00 0.25 H ATOM 183 HG13 ILE A 11 -1.841 -3.511 0.943 1.00 0.29 H ATOM 184 HG21 ILE A 11 1.569 -4.427 0.492 1.00 1.43 H ATOM 185 HG22 ILE A 11 0.442 -5.004 1.749 1.00 1.51 H ATOM 186 HG23 ILE A 11 1.025 -6.108 0.499 1.00 1.44 H ATOM 187 HD11 ILE A 11 0.239 -2.628 1.734 1.00 1.72 H ATOM 188 HD12 ILE A 11 0.841 -2.333 0.105 1.00 1.52 H ATOM 189 HD13 ILE A 11 -0.498 -1.355 0.743 1.00 1.55 H ATOM 190 N VAL A 12 -1.070 -4.779 -3.916 1.00 0.29 N ATOM 191 CA VAL A 12 -2.081 -4.976 -4.939 1.00 0.32 C ATOM 192 C VAL A 12 -1.417 -5.373 -6.262 1.00 0.28 C ATOM 193 O VAL A 12 -1.614 -6.500 -6.700 1.00 0.36 O ATOM 194 CB VAL A 12 -3.025 -3.758 -4.991 1.00 0.49 C ATOM 195 CG1 VAL A 12 -2.337 -2.399 -4.783 1.00 0.57 C ATOM 196 CG2 VAL A 12 -3.854 -3.715 -6.276 1.00 0.58 C ATOM 197 H VAL A 12 -0.159 -4.447 -4.200 1.00 0.35 H ATOM 198 HA VAL A 12 -2.685 -5.833 -4.642 1.00 0.34 H ATOM 199 HB VAL A 12 -3.721 -3.880 -4.166 1.00 0.59 H ATOM 200 HG11 VAL A 12 -3.085 -1.608 -4.851 1.00 1.61 H ATOM 201 HG12 VAL A 12 -1.891 -2.349 -3.789 1.00 1.65 H ATOM 202 HG13 VAL A 12 -1.575 -2.218 -5.536 1.00 1.19 H ATOM 203 HG21 VAL A 12 -4.231 -4.711 -6.513 1.00 1.52 H ATOM 204 HG22 VAL A 12 -4.701 -3.040 -6.142 1.00 1.54 H ATOM 205 HG23 VAL A 12 -3.244 -3.344 -7.093 1.00 1.20 H ATOM 206 N THR A 13 -0.618 -4.484 -6.868 1.00 0.46 N ATOM 207 CA THR A 13 0.198 -4.726 -8.067 1.00 0.54 C ATOM 208 C THR A 13 -0.417 -5.758 -9.032 1.00 0.44 C ATOM 209 O THR A 13 0.092 -6.874 -9.153 1.00 1.19 O ATOM 210 CB THR A 13 1.647 -5.065 -7.647 1.00 0.81 C ATOM 211 OG1 THR A 13 2.431 -5.452 -8.759 1.00 1.86 O ATOM 212 CG2 THR A 13 1.774 -6.178 -6.605 1.00 0.69 C ATOM 213 H THR A 13 -0.518 -3.583 -6.430 1.00 0.65 H ATOM 214 HA THR A 13 0.258 -3.786 -8.613 1.00 0.65 H ATOM 215 HB THR A 13 2.089 -4.163 -7.222 1.00 1.67 H ATOM 216 HG1 THR A 13 1.994 -6.230 -9.130 1.00 1.90 H ATOM 217 HG21 THR A 13 1.356 -7.111 -6.981 1.00 1.98 H ATOM 218 HG22 THR A 13 2.828 -6.325 -6.365 1.00 1.48 H ATOM 219 HG23 THR A 13 1.253 -5.902 -5.693 1.00 1.59 H ATOM 220 N PRO A 14 -1.473 -5.401 -9.776 1.00 0.79 N ATOM 221 CA PRO A 14 -2.183 -6.356 -10.600 1.00 0.78 C ATOM 222 C PRO A 14 -1.288 -6.793 -11.755 1.00 0.92 C ATOM 223 O PRO A 14 -0.951 -6.000 -12.633 1.00 1.80 O ATOM 224 CB PRO A 14 -3.445 -5.631 -11.072 1.00 1.77 C ATOM 225 CG PRO A 14 -3.023 -4.163 -11.084 1.00 2.35 C ATOM 226 CD PRO A 14 -2.035 -4.071 -9.920 1.00 1.79 C ATOM 227 HA PRO A 14 -2.466 -7.224 -10.003 1.00 0.95 H ATOM 228 HB2 PRO A 14 -3.775 -5.970 -12.055 1.00 1.90 H ATOM 229 HB3 PRO A 14 -4.238 -5.772 -10.336 1.00 2.19 H ATOM 230 HG2 PRO A 14 -2.511 -3.934 -12.020 1.00 2.59 H ATOM 231 HG3 PRO A 14 -3.875 -3.496 -10.943 1.00 3.05 H ATOM 232 HD2 PRO A 14 -1.262 -3.337 -10.144 1.00 2.09 H ATOM 233 HD3 PRO A 14 -2.566 -3.807 -9.012 1.00 2.11 H ATOM 234 N ARG A 15 -0.909 -8.069 -11.760 1.00 1.29 N ATOM 235 CA ARG A 15 -0.170 -8.684 -12.846 1.00 2.14 C ATOM 236 C ARG A 15 -0.755 -10.073 -13.029 1.00 2.99 C ATOM 237 O ARG A 15 -0.765 -10.859 -12.085 1.00 3.73 O ATOM 238 CB ARG A 15 1.329 -8.742 -12.509 1.00 2.97 C ATOM 239 CG ARG A 15 2.121 -7.769 -13.389 1.00 3.91 C ATOM 240 CD ARG A 15 3.623 -7.884 -13.109 1.00 5.17 C ATOM 241 NE ARG A 15 3.991 -7.287 -11.815 1.00 5.90 N ATOM 242 CZ ARG A 15 4.342 -6.008 -11.618 1.00 7.43 C ATOM 243 NH1 ARG A 15 4.351 -5.146 -12.636 1.00 8.27 N ATOM 244 NH2 ARG A 15 4.677 -5.582 -10.402 1.00 8.55 N ATOM 245 H ARG A 15 -1.171 -8.669 -10.989 1.00 1.61 H ATOM 246 HA ARG A 15 -0.323 -8.105 -13.758 1.00 2.43 H ATOM 247 HB2 ARG A 15 1.489 -8.505 -11.455 1.00 3.51 H ATOM 248 HB3 ARG A 15 1.704 -9.751 -12.691 1.00 3.18 H ATOM 249 HG2 ARG A 15 1.943 -8.021 -14.436 1.00 3.89 H ATOM 250 HG3 ARG A 15 1.783 -6.747 -13.211 1.00 4.35 H ATOM 251 HD2 ARG A 15 3.906 -8.937 -13.111 1.00 5.51 H ATOM 252 HD3 ARG A 15 4.178 -7.399 -13.914 1.00 6.03 H ATOM 253 HE ARG A 15 4.008 -7.930 -11.035 1.00 5.65 H ATOM 254 HH11 ARG A 15 4.054 -5.448 -13.551 1.00 7.83 H ATOM 255 HH12 ARG A 15 4.608 -4.179 -12.517 1.00 9.57 H ATOM 256 HH21 ARG A 15 4.491 -6.149 -9.584 1.00 8.34 H ATOM 257 HH22 ARG A 15 4.909 -4.620 -10.220 1.00 9.84 H ATOM 258 N THR A 16 -1.237 -10.369 -14.228 1.00 3.59 N ATOM 259 CA THR A 16 -1.742 -11.673 -14.606 1.00 4.88 C ATOM 260 C THR A 16 -1.209 -11.949 -16.007 1.00 5.56 C ATOM 261 O THR A 16 -0.759 -11.017 -16.679 1.00 5.30 O ATOM 262 CB THR A 16 -3.280 -11.659 -14.598 1.00 5.47 C ATOM 263 OG1 THR A 16 -3.768 -10.635 -15.437 1.00 5.71 O ATOM 264 CG2 THR A 16 -3.836 -11.450 -13.187 1.00 5.17 C ATOM 265 H THR A 16 -1.233 -9.702 -14.988 1.00 3.57 H ATOM 266 HA THR A 16 -1.373 -12.434 -13.918 1.00 5.33 H ATOM 267 HB THR A 16 -3.658 -12.610 -14.970 1.00 6.46 H ATOM 268 HG1 THR A 16 -3.753 -10.995 -16.342 1.00 6.42 H ATOM 269 HG21 THR A 16 -3.531 -10.481 -12.796 1.00 4.65 H ATOM 270 HG22 THR A 16 -4.925 -11.488 -13.220 1.00 5.56 H ATOM 271 HG23 THR A 16 -3.472 -12.240 -12.529 1.00 5.76 H ATOM 272 N PRO A 17 -1.278 -13.200 -16.473 1.00 6.68 N ATOM 273 CA PRO A 17 -1.326 -13.465 -17.894 1.00 7.52 C ATOM 274 C PRO A 17 -2.692 -13.019 -18.438 1.00 7.98 C ATOM 275 O PRO A 17 -3.469 -12.414 -17.659 1.00 7.89 O ATOM 276 CB PRO A 17 -1.114 -14.975 -18.001 1.00 8.59 C ATOM 277 CG PRO A 17 -1.812 -15.499 -16.745 1.00 8.75 C ATOM 278 CD PRO A 17 -1.555 -14.403 -15.709 1.00 7.48 C ATOM 279 OXT PRO A 17 -2.939 -13.306 -19.628 1.00 8.79 O ATOM 280 HA PRO A 17 -0.538 -12.928 -18.422 1.00 7.30 H ATOM 281 HB2 PRO A 17 -1.541 -15.393 -18.913 1.00 9.38 H ATOM 282 HB3 PRO A 17 -0.047 -15.192 -17.942 1.00 8.56 H ATOM 283 HG2 PRO A 17 -2.883 -15.581 -16.933 1.00 9.22 H ATOM 284 HG3 PRO A 17 -1.402 -16.457 -16.426 1.00 9.40 H ATOM 285 HD2 PRO A 17 -2.428 -14.290 -15.067 1.00 7.52 H ATOM 286 HD3 PRO A 17 -0.680 -14.656 -15.110 1.00 7.40 H TER 287 PRO A 17 ENDMDL MODEL 20 ATOM 1 N GLU A 1 -10.410 6.825 7.868 1.00 1.77 N ATOM 2 CA GLU A 1 -9.574 6.954 6.664 1.00 1.56 C ATOM 3 C GLU A 1 -8.167 6.735 7.149 1.00 1.46 C ATOM 4 O GLU A 1 -7.766 7.460 8.045 1.00 2.16 O ATOM 5 CB GLU A 1 -9.722 8.352 6.063 1.00 1.72 C ATOM 6 CG GLU A 1 -11.070 8.451 5.347 1.00 2.05 C ATOM 7 CD GLU A 1 -11.591 9.882 5.382 1.00 2.76 C ATOM 8 OE1 GLU A 1 -10.983 10.731 4.697 1.00 3.35 O ATOM 9 OE2 GLU A 1 -12.561 10.092 6.141 1.00 3.63 O ATOM 10 H1 GLU A 1 -9.876 7.225 8.634 1.00 1.85 H ATOM 11 H2 GLU A 1 -11.283 7.319 7.745 1.00 1.87 H ATOM 12 H3 GLU A 1 -10.576 5.850 8.068 1.00 1.82 H ATOM 13 HA GLU A 1 -9.829 6.204 5.916 1.00 1.53 H ATOM 14 HB2 GLU A 1 -9.671 9.086 6.870 1.00 1.93 H ATOM 15 HB3 GLU A 1 -8.918 8.545 5.353 1.00 1.90 H ATOM 16 HG2 GLU A 1 -10.959 8.112 4.316 1.00 2.53 H ATOM 17 HG3 GLU A 1 -11.796 7.800 5.838 1.00 2.28 H ATOM 18 N ASN A 2 -7.490 5.692 6.673 1.00 0.96 N ATOM 19 CA ASN A 2 -6.183 5.258 7.150 1.00 0.75 C ATOM 20 C ASN A 2 -5.178 6.410 7.178 1.00 0.50 C ATOM 21 O ASN A 2 -4.541 6.667 6.159 1.00 0.45 O ATOM 22 CB ASN A 2 -5.645 4.093 6.287 1.00 0.91 C ATOM 23 CG ASN A 2 -5.777 4.252 4.765 1.00 2.09 C ATOM 24 OD1 ASN A 2 -6.543 5.059 4.255 1.00 3.35 O ATOM 25 ND2 ASN A 2 -5.090 3.421 3.992 1.00 2.52 N ATOM 26 H ASN A 2 -7.850 5.209 5.861 1.00 1.28 H ATOM 27 HA ASN A 2 -6.302 4.881 8.164 1.00 0.81 H ATOM 28 HB2 ASN A 2 -4.593 3.951 6.527 1.00 1.85 H ATOM 29 HB3 ASN A 2 -6.160 3.185 6.584 1.00 1.46 H ATOM 30 HD21 ASN A 2 -4.511 2.686 4.363 1.00 2.42 H ATOM 31 HD22 ASN A 2 -5.233 3.528 2.998 1.00 3.49 H ATOM 32 N PRO A 3 -4.906 7.029 8.344 1.00 0.45 N ATOM 33 CA PRO A 3 -4.030 8.195 8.422 1.00 0.36 C ATOM 34 C PRO A 3 -2.546 7.848 8.294 1.00 0.38 C ATOM 35 O PRO A 3 -1.682 8.677 8.561 1.00 0.83 O ATOM 36 CB PRO A 3 -4.355 8.832 9.774 1.00 0.52 C ATOM 37 CG PRO A 3 -4.667 7.614 10.641 1.00 0.68 C ATOM 38 CD PRO A 3 -5.431 6.714 9.670 1.00 0.66 C ATOM 39 HA PRO A 3 -4.267 8.876 7.615 1.00 0.38 H ATOM 40 HB2 PRO A 3 -3.530 9.422 10.176 1.00 0.59 H ATOM 41 HB3 PRO A 3 -5.250 9.448 9.676 1.00 0.59 H ATOM 42 HG2 PRO A 3 -3.741 7.130 10.952 1.00 0.73 H ATOM 43 HG3 PRO A 3 -5.277 7.880 11.505 1.00 0.85 H ATOM 44 HD2 PRO A 3 -5.312 5.664 9.919 1.00 0.79 H ATOM 45 HD3 PRO A 3 -6.481 6.963 9.756 1.00 0.77 H ATOM 46 N VAL A 4 -2.251 6.627 7.864 1.00 0.23 N ATOM 47 CA VAL A 4 -0.909 6.115 7.684 1.00 0.17 C ATOM 48 C VAL A 4 -0.705 5.515 6.293 1.00 0.17 C ATOM 49 O VAL A 4 0.427 5.225 5.908 1.00 0.23 O ATOM 50 CB VAL A 4 -0.651 5.069 8.772 1.00 0.25 C ATOM 51 CG1 VAL A 4 -0.510 5.752 10.137 1.00 1.09 C ATOM 52 CG2 VAL A 4 -1.774 4.022 8.866 1.00 0.91 C ATOM 53 H VAL A 4 -3.019 5.990 7.744 1.00 0.61 H ATOM 54 HA VAL A 4 -0.186 6.925 7.795 1.00 0.28 H ATOM 55 HB VAL A 4 0.274 4.561 8.516 1.00 0.80 H ATOM 56 HG11 VAL A 4 -1.491 6.019 10.528 1.00 1.67 H ATOM 57 HG12 VAL A 4 -0.014 5.078 10.835 1.00 1.90 H ATOM 58 HG13 VAL A 4 0.082 6.662 10.040 1.00 2.03 H ATOM 59 HG21 VAL A 4 -2.695 4.474 9.235 1.00 2.04 H ATOM 60 HG22 VAL A 4 -1.968 3.569 7.897 1.00 1.68 H ATOM 61 HG23 VAL A 4 -1.477 3.237 9.564 1.00 1.79 H ATOM 62 N VAL A 5 -1.794 5.242 5.561 1.00 0.17 N ATOM 63 CA VAL A 5 -1.785 4.610 4.244 1.00 0.19 C ATOM 64 C VAL A 5 -1.040 3.277 4.210 1.00 0.16 C ATOM 65 O VAL A 5 -0.847 2.674 3.156 1.00 0.17 O ATOM 66 CB VAL A 5 -1.346 5.679 3.222 1.00 0.25 C ATOM 67 CG1 VAL A 5 -0.889 5.133 1.871 1.00 0.25 C ATOM 68 CG2 VAL A 5 -2.526 6.633 3.005 1.00 0.40 C ATOM 69 H VAL A 5 -2.681 5.596 5.876 1.00 0.26 H ATOM 70 HA VAL A 5 -2.797 4.307 4.010 1.00 0.23 H ATOM 71 HB VAL A 5 -0.518 6.253 3.637 1.00 0.29 H ATOM 72 HG11 VAL A 5 -1.639 4.453 1.469 1.00 1.53 H ATOM 73 HG12 VAL A 5 -0.728 5.953 1.172 1.00 1.54 H ATOM 74 HG13 VAL A 5 0.056 4.608 2.008 1.00 1.57 H ATOM 75 HG21 VAL A 5 -2.809 7.100 3.950 1.00 1.41 H ATOM 76 HG22 VAL A 5 -2.246 7.416 2.301 1.00 1.48 H ATOM 77 HG23 VAL A 5 -3.381 6.085 2.611 1.00 1.46 H ATOM 78 N HIS A 6 -0.678 2.747 5.375 1.00 0.16 N ATOM 79 CA HIS A 6 0.215 1.629 5.494 1.00 0.16 C ATOM 80 C HIS A 6 1.420 1.765 4.565 1.00 0.14 C ATOM 81 O HIS A 6 1.890 0.757 4.041 1.00 0.16 O ATOM 82 CB HIS A 6 -0.585 0.347 5.246 1.00 0.20 C ATOM 83 CG HIS A 6 -1.680 0.072 6.242 1.00 0.32 C ATOM 84 ND1 HIS A 6 -2.812 -0.681 6.021 1.00 0.49 N ATOM 85 CD2 HIS A 6 -1.694 0.468 7.549 1.00 0.40 C ATOM 86 CE1 HIS A 6 -3.495 -0.727 7.179 1.00 0.60 C ATOM 87 NE2 HIS A 6 -2.857 -0.033 8.135 1.00 0.54 N ATOM 88 H HIS A 6 -0.899 3.221 6.228 1.00 0.18 H ATOM 89 HA HIS A 6 0.604 1.635 6.504 1.00 0.20 H ATOM 90 HB2 HIS A 6 -1.013 0.375 4.247 1.00 0.20 H ATOM 91 HB3 HIS A 6 0.102 -0.477 5.273 1.00 0.21 H ATOM 92 HD1 HIS A 6 -3.076 -1.140 5.161 1.00 0.57 H ATOM 93 HD2 HIS A 6 -0.927 1.046 8.035 1.00 0.43 H ATOM 94 HE1 HIS A 6 -4.424 -1.259 7.331 1.00 0.77 H ATOM 95 N PHE A 7 1.914 2.993 4.350 1.00 0.16 N ATOM 96 CA PHE A 7 3.037 3.313 3.471 1.00 0.20 C ATOM 97 C PHE A 7 2.908 2.778 2.034 1.00 0.22 C ATOM 98 O PHE A 7 3.872 2.808 1.276 1.00 0.31 O ATOM 99 CB PHE A 7 4.317 2.824 4.148 1.00 0.24 C ATOM 100 CG PHE A 7 5.205 3.930 4.681 1.00 0.33 C ATOM 101 CD1 PHE A 7 4.724 4.800 5.679 1.00 1.82 C ATOM 102 CD2 PHE A 7 6.510 4.095 4.182 1.00 1.71 C ATOM 103 CE1 PHE A 7 5.547 5.826 6.175 1.00 1.88 C ATOM 104 CE2 PHE A 7 7.334 5.120 4.681 1.00 1.70 C ATOM 105 CZ PHE A 7 6.852 5.985 5.679 1.00 0.55 C ATOM 106 H PHE A 7 1.501 3.778 4.836 1.00 0.19 H ATOM 107 HA PHE A 7 3.094 4.400 3.386 1.00 0.24 H ATOM 108 HB2 PHE A 7 4.056 2.155 4.965 1.00 0.26 H ATOM 109 HB3 PHE A 7 4.862 2.222 3.433 1.00 0.24 H ATOM 110 HD1 PHE A 7 3.722 4.686 6.065 1.00 3.11 H ATOM 111 HD2 PHE A 7 6.886 3.437 3.410 1.00 3.03 H ATOM 112 HE1 PHE A 7 5.176 6.496 6.939 1.00 3.20 H ATOM 113 HE2 PHE A 7 8.336 5.243 4.297 1.00 2.99 H ATOM 114 HZ PHE A 7 7.485 6.773 6.061 1.00 0.64 H ATOM 115 N PHE A 8 1.719 2.306 1.665 1.00 0.18 N ATOM 116 CA PHE A 8 1.353 1.692 0.398 1.00 0.20 C ATOM 117 C PHE A 8 2.463 0.793 -0.156 1.00 0.18 C ATOM 118 O PHE A 8 3.060 1.076 -1.192 1.00 0.25 O ATOM 119 CB PHE A 8 0.901 2.767 -0.599 1.00 0.26 C ATOM 120 CG PHE A 8 0.166 2.200 -1.797 1.00 0.37 C ATOM 121 CD1 PHE A 8 -1.193 1.854 -1.679 1.00 1.85 C ATOM 122 CD2 PHE A 8 0.832 2.005 -3.021 1.00 1.86 C ATOM 123 CE1 PHE A 8 -1.885 1.328 -2.784 1.00 1.93 C ATOM 124 CE2 PHE A 8 0.141 1.471 -4.123 1.00 1.87 C ATOM 125 CZ PHE A 8 -1.218 1.136 -4.006 1.00 0.70 C ATOM 126 H PHE A 8 1.026 2.316 2.393 1.00 0.18 H ATOM 127 HA PHE A 8 0.488 1.058 0.593 1.00 0.20 H ATOM 128 HB2 PHE A 8 0.228 3.454 -0.090 1.00 0.28 H ATOM 129 HB3 PHE A 8 1.766 3.344 -0.930 1.00 0.31 H ATOM 130 HD1 PHE A 8 -1.710 1.999 -0.741 1.00 3.20 H ATOM 131 HD2 PHE A 8 1.877 2.263 -3.116 1.00 3.24 H ATOM 132 HE1 PHE A 8 -2.933 1.076 -2.696 1.00 3.31 H ATOM 133 HE2 PHE A 8 0.655 1.323 -5.063 1.00 3.22 H ATOM 134 HZ PHE A 8 -1.750 0.739 -4.859 1.00 0.83 H ATOM 135 N LYS A 9 2.714 -0.346 0.496 1.00 0.12 N ATOM 136 CA LYS A 9 3.733 -1.287 0.021 1.00 0.12 C ATOM 137 C LYS A 9 3.226 -2.156 -1.143 1.00 0.14 C ATOM 138 O LYS A 9 3.418 -3.366 -1.109 1.00 0.20 O ATOM 139 CB LYS A 9 4.238 -2.171 1.179 1.00 0.13 C ATOM 140 CG LYS A 9 5.247 -1.467 2.099 1.00 0.17 C ATOM 141 CD LYS A 9 4.605 -0.861 3.344 1.00 0.27 C ATOM 142 CE LYS A 9 4.060 -1.967 4.260 1.00 0.39 C ATOM 143 NZ LYS A 9 2.598 -1.880 4.447 1.00 1.08 N ATOM 144 H LYS A 9 2.185 -0.541 1.335 1.00 0.13 H ATOM 145 HA LYS A 9 4.577 -0.715 -0.371 1.00 0.16 H ATOM 146 HB2 LYS A 9 3.395 -2.564 1.746 1.00 0.19 H ATOM 147 HB3 LYS A 9 4.761 -3.028 0.763 1.00 0.19 H ATOM 148 HG2 LYS A 9 5.990 -2.196 2.427 1.00 0.25 H ATOM 149 HG3 LYS A 9 5.769 -0.687 1.543 1.00 0.26 H ATOM 150 HD2 LYS A 9 5.366 -0.301 3.890 1.00 0.35 H ATOM 151 HD3 LYS A 9 3.829 -0.168 3.033 1.00 0.31 H ATOM 152 HE2 LYS A 9 4.317 -2.939 3.836 1.00 0.82 H ATOM 153 HE3 LYS A 9 4.550 -1.884 5.233 1.00 0.80 H ATOM 154 HZ1 LYS A 9 2.364 -0.977 4.841 1.00 1.59 H ATOM 155 HZ2 LYS A 9 2.123 -1.952 3.559 1.00 1.94 H ATOM 156 HZ3 LYS A 9 2.273 -2.611 5.064 1.00 1.74 H ATOM 157 N ASN A 10 2.595 -1.571 -2.171 1.00 0.16 N ATOM 158 CA ASN A 10 2.119 -2.225 -3.379 1.00 0.20 C ATOM 159 C ASN A 10 1.576 -3.616 -3.091 1.00 0.21 C ATOM 160 O ASN A 10 1.905 -4.602 -3.745 1.00 0.24 O ATOM 161 CB ASN A 10 3.210 -2.203 -4.445 1.00 0.23 C ATOM 162 CG ASN A 10 2.956 -1.138 -5.479 1.00 0.90 C ATOM 163 OD1 ASN A 10 1.824 -0.867 -5.863 1.00 2.19 O ATOM 164 ND2 ASN A 10 4.019 -0.566 -5.996 1.00 0.41 N ATOM 165 H ASN A 10 2.455 -0.581 -2.191 1.00 0.21 H ATOM 166 HA ASN A 10 1.288 -1.634 -3.757 1.00 0.26 H ATOM 167 HB2 ASN A 10 4.186 -2.083 -3.980 1.00 0.50 H ATOM 168 HB3 ASN A 10 3.212 -3.114 -5.014 1.00 0.57 H ATOM 169 HD21 ASN A 10 4.952 -0.788 -5.693 1.00 1.07 H ATOM 170 HD22 ASN A 10 3.825 0.007 -6.786 1.00 0.95 H ATOM 171 N ILE A 11 0.653 -3.667 -2.140 1.00 0.22 N ATOM 172 CA ILE A 11 -0.017 -4.887 -1.721 1.00 0.26 C ATOM 173 C ILE A 11 -1.183 -5.187 -2.675 1.00 0.29 C ATOM 174 O ILE A 11 -2.243 -5.642 -2.256 1.00 0.37 O ATOM 175 CB ILE A 11 -0.424 -4.818 -0.237 1.00 0.28 C ATOM 176 CG1 ILE A 11 -1.093 -3.481 0.117 1.00 0.26 C ATOM 177 CG2 ILE A 11 0.793 -5.098 0.658 1.00 0.28 C ATOM 178 CD1 ILE A 11 -0.124 -2.417 0.655 1.00 0.20 C ATOM 179 H ILE A 11 0.400 -2.786 -1.732 1.00 0.22 H ATOM 180 HA ILE A 11 0.695 -5.695 -1.797 1.00 0.28 H ATOM 181 HB ILE A 11 -1.142 -5.616 -0.042 1.00 0.36 H ATOM 182 HG12 ILE A 11 -1.598 -3.105 -0.772 1.00 0.28 H ATOM 183 HG13 ILE A 11 -1.850 -3.668 0.877 1.00 0.31 H ATOM 184 HG21 ILE A 11 1.605 -4.404 0.443 1.00 1.47 H ATOM 185 HG22 ILE A 11 0.507 -5.020 1.707 1.00 1.46 H ATOM 186 HG23 ILE A 11 1.153 -6.111 0.473 1.00 1.46 H ATOM 187 HD11 ILE A 11 -0.617 -1.445 0.657 1.00 1.21 H ATOM 188 HD12 ILE A 11 0.170 -2.667 1.673 1.00 1.26 H ATOM 189 HD13 ILE A 11 0.776 -2.364 0.047 1.00 1.16 H ATOM 190 N VAL A 12 -0.996 -4.908 -3.969 1.00 0.33 N ATOM 191 CA VAL A 12 -1.987 -5.151 -5.003 1.00 0.35 C ATOM 192 C VAL A 12 -1.293 -5.533 -6.317 1.00 0.23 C ATOM 193 O VAL A 12 -1.378 -6.690 -6.709 1.00 0.32 O ATOM 194 CB VAL A 12 -2.977 -3.970 -5.072 1.00 0.51 C ATOM 195 CG1 VAL A 12 -2.349 -2.595 -4.790 1.00 0.62 C ATOM 196 CG2 VAL A 12 -3.741 -3.917 -6.396 1.00 0.53 C ATOM 197 H VAL A 12 -0.109 -4.516 -4.247 1.00 0.37 H ATOM 198 HA VAL A 12 -2.561 -6.030 -4.705 1.00 0.45 H ATOM 199 HB VAL A 12 -3.709 -4.141 -4.284 1.00 0.66 H ATOM 200 HG11 VAL A 12 -2.010 -2.542 -3.755 1.00 1.91 H ATOM 201 HG12 VAL A 12 -1.514 -2.392 -5.456 1.00 1.30 H ATOM 202 HG13 VAL A 12 -3.103 -1.821 -4.930 1.00 1.74 H ATOM 203 HG21 VAL A 12 -4.071 -4.918 -6.680 1.00 1.58 H ATOM 204 HG22 VAL A 12 -4.618 -3.277 -6.286 1.00 1.37 H ATOM 205 HG23 VAL A 12 -3.107 -3.501 -7.174 1.00 1.23 H ATOM 206 N THR A 13 -0.596 -4.593 -6.972 1.00 0.37 N ATOM 207 CA THR A 13 0.215 -4.789 -8.180 1.00 0.47 C ATOM 208 C THR A 13 -0.351 -5.850 -9.151 1.00 0.38 C ATOM 209 O THR A 13 0.176 -6.961 -9.240 1.00 1.23 O ATOM 210 CB THR A 13 1.687 -5.003 -7.776 1.00 0.83 C ATOM 211 OG1 THR A 13 2.498 -5.205 -8.910 1.00 2.04 O ATOM 212 CG2 THR A 13 1.946 -6.147 -6.791 1.00 0.62 C ATOM 213 H THR A 13 -0.576 -3.667 -6.580 1.00 0.58 H ATOM 214 HA THR A 13 0.206 -3.845 -8.723 1.00 0.60 H ATOM 215 HB THR A 13 2.022 -4.084 -7.293 1.00 1.68 H ATOM 216 HG1 THR A 13 2.271 -6.068 -9.277 1.00 2.07 H ATOM 217 HG21 THR A 13 1.614 -7.098 -7.203 1.00 1.96 H ATOM 218 HG22 THR A 13 3.015 -6.198 -6.582 1.00 1.53 H ATOM 219 HG23 THR A 13 1.425 -5.962 -5.854 1.00 1.45 H ATOM 220 N PRO A 14 -1.401 -5.509 -9.915 1.00 0.67 N ATOM 221 CA PRO A 14 -2.107 -6.445 -10.774 1.00 0.68 C ATOM 222 C PRO A 14 -1.286 -6.755 -12.026 1.00 0.97 C ATOM 223 O PRO A 14 -0.264 -6.129 -12.296 1.00 1.87 O ATOM 224 CB PRO A 14 -3.423 -5.743 -11.119 1.00 1.74 C ATOM 225 CG PRO A 14 -3.017 -4.272 -11.161 1.00 2.31 C ATOM 226 CD PRO A 14 -1.947 -4.174 -10.072 1.00 1.69 C ATOM 227 HA PRO A 14 -2.308 -7.372 -10.234 1.00 0.88 H ATOM 228 HB2 PRO A 14 -3.842 -6.073 -12.071 1.00 1.90 H ATOM 229 HB3 PRO A 14 -4.140 -5.899 -10.313 1.00 2.17 H ATOM 230 HG2 PRO A 14 -2.576 -4.041 -12.131 1.00 2.57 H ATOM 231 HG3 PRO A 14 -3.861 -3.614 -10.955 1.00 3.02 H ATOM 232 HD2 PRO A 14 -1.173 -3.475 -10.384 1.00 1.98 H ATOM 233 HD3 PRO A 14 -2.402 -3.857 -9.139 1.00 1.99 H ATOM 234 N ARG A 15 -1.752 -7.721 -12.821 1.00 1.86 N ATOM 235 CA ARG A 15 -1.018 -8.205 -13.986 1.00 2.71 C ATOM 236 C ARG A 15 -1.766 -7.817 -15.250 1.00 4.35 C ATOM 237 O ARG A 15 -2.181 -8.678 -16.020 1.00 5.56 O ATOM 238 CB ARG A 15 -0.806 -9.721 -13.896 1.00 3.38 C ATOM 239 CG ARG A 15 -0.196 -10.099 -12.545 1.00 3.59 C ATOM 240 CD ARG A 15 0.448 -11.490 -12.575 1.00 5.11 C ATOM 241 NE ARG A 15 -0.496 -12.542 -12.985 1.00 6.34 N ATOM 242 CZ ARG A 15 -0.237 -13.855 -12.950 1.00 7.88 C ATOM 243 NH1 ARG A 15 0.938 -14.292 -12.494 1.00 8.43 N ATOM 244 NH2 ARG A 15 -1.150 -14.730 -13.373 1.00 9.24 N ATOM 245 H ARG A 15 -2.640 -8.140 -12.591 1.00 2.50 H ATOM 246 HA ARG A 15 -0.038 -7.725 -14.019 1.00 2.71 H ATOM 247 HB2 ARG A 15 -1.760 -10.236 -14.016 1.00 4.48 H ATOM 248 HB3 ARG A 15 -0.133 -10.026 -14.699 1.00 3.82 H ATOM 249 HG2 ARG A 15 0.570 -9.367 -12.287 1.00 3.36 H ATOM 250 HG3 ARG A 15 -0.975 -10.071 -11.782 1.00 3.95 H ATOM 251 HD2 ARG A 15 1.286 -11.472 -13.274 1.00 5.56 H ATOM 252 HD3 ARG A 15 0.828 -11.709 -11.576 1.00 5.43 H ATOM 253 HE ARG A 15 -1.388 -12.219 -13.332 1.00 6.35 H ATOM 254 HH11 ARG A 15 1.628 -13.626 -12.180 1.00 7.86 H ATOM 255 HH12 ARG A 15 1.171 -15.271 -12.447 1.00 9.68 H ATOM 256 HH21 ARG A 15 -2.042 -14.421 -13.731 1.00 9.34 H ATOM 257 HH22 ARG A 15 -0.976 -15.725 -13.357 1.00 10.43 H ATOM 258 N THR A 16 -1.953 -6.519 -15.451 1.00 5.04 N ATOM 259 CA THR A 16 -2.718 -5.995 -16.564 1.00 6.82 C ATOM 260 C THR A 16 -2.061 -4.698 -17.018 1.00 7.97 C ATOM 261 O THR A 16 -1.471 -4.009 -16.182 1.00 7.71 O ATOM 262 CB THR A 16 -4.157 -5.732 -16.102 1.00 7.10 C ATOM 263 OG1 THR A 16 -4.155 -4.952 -14.924 1.00 7.03 O ATOM 264 CG2 THR A 16 -4.914 -7.032 -15.822 1.00 6.49 C ATOM 265 H THR A 16 -1.598 -5.828 -14.802 1.00 4.77 H ATOM 266 HA THR A 16 -2.720 -6.712 -17.384 1.00 7.50 H ATOM 267 HB THR A 16 -4.682 -5.195 -16.886 1.00 8.42 H ATOM 268 HG1 THR A 16 -3.854 -4.068 -15.173 1.00 7.85 H ATOM 269 HG21 THR A 16 -4.841 -7.695 -16.685 1.00 6.74 H ATOM 270 HG22 THR A 16 -4.503 -7.530 -14.945 1.00 5.91 H ATOM 271 HG23 THR A 16 -5.964 -6.804 -15.636 1.00 7.14 H ATOM 272 N PRO A 17 -2.161 -4.356 -18.307 1.00 9.60 N ATOM 273 CA PRO A 17 -1.836 -3.027 -18.782 1.00 11.09 C ATOM 274 C PRO A 17 -2.935 -2.051 -18.347 1.00 11.75 C ATOM 275 O PRO A 17 -3.913 -2.517 -17.715 1.00 11.28 O ATOM 276 CB PRO A 17 -1.771 -3.174 -20.302 1.00 12.53 C ATOM 277 CG PRO A 17 -2.863 -4.208 -20.577 1.00 12.39 C ATOM 278 CD PRO A 17 -2.791 -5.133 -19.359 1.00 10.49 C ATOM 279 OXT PRO A 17 -2.782 -0.856 -18.676 1.00 12.99 O ATOM 280 HA PRO A 17 -0.877 -2.690 -18.388 1.00 10.95 H ATOM 281 HB2 PRO A 17 -1.957 -2.232 -20.821 1.00 13.83 H ATOM 282 HB3 PRO A 17 -0.800 -3.583 -20.585 1.00 12.43 H ATOM 283 HG2 PRO A 17 -3.834 -3.713 -20.605 1.00 12.99 H ATOM 284 HG3 PRO A 17 -2.681 -4.750 -21.506 1.00 13.15 H ATOM 285 HD2 PRO A 17 -3.796 -5.444 -19.071 1.00 10.37 H ATOM 286 HD3 PRO A 17 -2.174 -6.001 -19.589 1.00 10.24 H TER 287 PRO A 17 ENDMDL MODEL 21 ATOM 1 N GLU A 1 -9.632 8.982 6.513 1.00 3.22 N ATOM 2 CA GLU A 1 -8.668 8.867 5.410 1.00 3.04 C ATOM 3 C GLU A 1 -7.390 8.269 5.969 1.00 2.71 C ATOM 4 O GLU A 1 -6.459 9.009 6.252 1.00 3.68 O ATOM 5 CB GLU A 1 -8.388 10.227 4.766 1.00 3.26 C ATOM 6 CG GLU A 1 -9.591 10.667 3.935 1.00 3.54 C ATOM 7 CD GLU A 1 -9.207 11.839 3.038 1.00 4.78 C ATOM 8 OE1 GLU A 1 -9.151 12.964 3.578 1.00 5.51 O ATOM 9 OE2 GLU A 1 -8.953 11.576 1.844 1.00 5.54 O ATOM 10 H1 GLU A 1 -9.123 9.282 7.335 1.00 3.12 H ATOM 11 H2 GLU A 1 -10.352 9.649 6.275 1.00 3.49 H ATOM 12 H3 GLU A 1 -10.045 8.080 6.703 1.00 3.25 H ATOM 13 HA GLU A 1 -9.062 8.207 4.637 1.00 3.10 H ATOM 14 HB2 GLU A 1 -8.178 10.970 5.537 1.00 3.41 H ATOM 15 HB3 GLU A 1 -7.524 10.135 4.107 1.00 3.37 H ATOM 16 HG2 GLU A 1 -9.923 9.829 3.320 1.00 3.42 H ATOM 17 HG3 GLU A 1 -10.408 10.955 4.598 1.00 3.62 H ATOM 18 N ASN A 2 -7.399 6.950 6.191 1.00 1.57 N ATOM 19 CA ASN A 2 -6.271 6.104 6.573 1.00 1.26 C ATOM 20 C ASN A 2 -5.031 6.882 6.993 1.00 0.71 C ATOM 21 O ASN A 2 -4.162 7.076 6.148 1.00 0.68 O ATOM 22 CB ASN A 2 -5.903 5.196 5.386 1.00 1.57 C ATOM 23 CG ASN A 2 -7.112 4.441 4.847 1.00 2.02 C ATOM 24 OD1 ASN A 2 -8.072 4.210 5.571 1.00 2.45 O ATOM 25 ND2 ASN A 2 -7.128 4.120 3.561 1.00 2.50 N ATOM 26 H ASN A 2 -8.234 6.412 5.994 1.00 1.36 H ATOM 27 HA ASN A 2 -6.582 5.486 7.408 1.00 1.35 H ATOM 28 HB2 ASN A 2 -5.485 5.813 4.589 1.00 2.07 H ATOM 29 HB3 ASN A 2 -5.133 4.495 5.708 1.00 1.57 H ATOM 30 HD21 ASN A 2 -6.364 4.350 2.945 1.00 2.71 H ATOM 31 HD22 ASN A 2 -7.950 3.652 3.213 1.00 2.93 H ATOM 32 N PRO A 3 -4.920 7.315 8.258 1.00 0.51 N ATOM 33 CA PRO A 3 -3.863 8.215 8.700 1.00 0.39 C ATOM 34 C PRO A 3 -2.551 7.453 8.916 1.00 0.69 C ATOM 35 O PRO A 3 -2.078 7.319 10.039 1.00 1.90 O ATOM 36 CB PRO A 3 -4.411 8.855 9.980 1.00 0.56 C ATOM 37 CG PRO A 3 -5.291 7.749 10.562 1.00 0.89 C ATOM 38 CD PRO A 3 -5.902 7.119 9.310 1.00 0.90 C ATOM 39 HA PRO A 3 -3.693 8.981 7.948 1.00 0.62 H ATOM 40 HB2 PRO A 3 -3.630 9.170 10.672 1.00 0.81 H ATOM 41 HB3 PRO A 3 -5.039 9.707 9.713 1.00 0.57 H ATOM 42 HG2 PRO A 3 -4.670 7.016 11.079 1.00 1.11 H ATOM 43 HG3 PRO A 3 -6.056 8.147 11.230 1.00 1.11 H ATOM 44 HD2 PRO A 3 -6.101 6.061 9.482 1.00 1.19 H ATOM 45 HD3 PRO A 3 -6.823 7.642 9.047 1.00 1.11 H ATOM 46 N VAL A 4 -1.991 6.944 7.816 1.00 0.39 N ATOM 47 CA VAL A 4 -0.806 6.100 7.716 1.00 0.16 C ATOM 48 C VAL A 4 -0.667 5.605 6.279 1.00 0.21 C ATOM 49 O VAL A 4 0.446 5.426 5.786 1.00 0.35 O ATOM 50 CB VAL A 4 -0.868 4.922 8.708 1.00 0.33 C ATOM 51 CG1 VAL A 4 -2.185 4.132 8.666 1.00 2.57 C ATOM 52 CG2 VAL A 4 0.349 3.998 8.607 1.00 2.06 C ATOM 53 H VAL A 4 -2.466 7.159 6.952 1.00 1.42 H ATOM 54 HA VAL A 4 0.067 6.707 7.954 1.00 0.32 H ATOM 55 HB VAL A 4 -0.800 5.338 9.690 1.00 1.67 H ATOM 56 HG11 VAL A 4 -3.009 4.778 8.976 1.00 3.00 H ATOM 57 HG12 VAL A 4 -2.391 3.744 7.672 1.00 3.90 H ATOM 58 HG13 VAL A 4 -2.128 3.300 9.366 1.00 3.36 H ATOM 59 HG21 VAL A 4 0.535 3.542 9.579 1.00 2.79 H ATOM 60 HG22 VAL A 4 0.175 3.207 7.893 1.00 2.65 H ATOM 61 HG23 VAL A 4 1.231 4.569 8.315 1.00 3.36 H ATOM 62 N VAL A 5 -1.796 5.285 5.628 1.00 0.17 N ATOM 63 CA VAL A 5 -1.828 4.667 4.302 1.00 0.19 C ATOM 64 C VAL A 5 -1.085 3.335 4.274 1.00 0.16 C ATOM 65 O VAL A 5 -0.920 2.721 3.222 1.00 0.16 O ATOM 66 CB VAL A 5 -1.390 5.723 3.256 1.00 0.25 C ATOM 67 CG1 VAL A 5 -0.869 5.173 1.927 1.00 0.25 C ATOM 68 CG2 VAL A 5 -2.581 6.639 2.958 1.00 0.42 C ATOM 69 H VAL A 5 -2.680 5.414 6.098 1.00 0.25 H ATOM 70 HA VAL A 5 -2.846 4.368 4.090 1.00 0.22 H ATOM 71 HB VAL A 5 -0.594 6.336 3.675 1.00 0.32 H ATOM 72 HG11 VAL A 5 0.078 4.659 2.100 1.00 1.35 H ATOM 73 HG12 VAL A 5 -1.594 4.483 1.495 1.00 1.30 H ATOM 74 HG13 VAL A 5 -0.688 5.992 1.231 1.00 1.41 H ATOM 75 HG21 VAL A 5 -3.361 6.079 2.442 1.00 1.84 H ATOM 76 HG22 VAL A 5 -2.980 7.045 3.885 1.00 1.60 H ATOM 77 HG23 VAL A 5 -2.259 7.468 2.328 1.00 1.63 H ATOM 78 N HIS A 6 -0.680 2.826 5.440 1.00 0.18 N ATOM 79 CA HIS A 6 0.210 1.694 5.517 1.00 0.19 C ATOM 80 C HIS A 6 1.378 1.832 4.542 1.00 0.16 C ATOM 81 O HIS A 6 1.829 0.823 4.005 1.00 0.17 O ATOM 82 CB HIS A 6 -0.598 0.416 5.274 1.00 0.21 C ATOM 83 CG HIS A 6 -1.618 0.074 6.327 1.00 0.35 C ATOM 84 ND1 HIS A 6 -2.707 -0.753 6.161 1.00 0.54 N ATOM 85 CD2 HIS A 6 -1.569 0.433 7.644 1.00 0.43 C ATOM 86 CE1 HIS A 6 -3.302 -0.878 7.362 1.00 0.69 C ATOM 87 NE2 HIS A 6 -2.646 -0.168 8.293 1.00 0.60 N ATOM 88 H HIS A 6 -0.875 3.312 6.303 1.00 0.21 H ATOM 89 HA HIS A 6 0.646 1.662 6.505 1.00 0.22 H ATOM 90 HB2 HIS A 6 -1.087 0.465 4.305 1.00 0.23 H ATOM 91 HB3 HIS A 6 0.101 -0.395 5.233 1.00 0.24 H ATOM 92 HD1 HIS A 6 -3.006 -1.200 5.306 1.00 0.62 H ATOM 93 HD2 HIS A 6 -0.804 1.043 8.096 1.00 0.45 H ATOM 94 HE1 HIS A 6 -4.180 -1.478 7.559 1.00 0.89 H ATOM 95 N PHE A 7 1.857 3.058 4.289 1.00 0.19 N ATOM 96 CA PHE A 7 2.945 3.358 3.361 1.00 0.22 C ATOM 97 C PHE A 7 2.774 2.803 1.938 1.00 0.21 C ATOM 98 O PHE A 7 3.708 2.858 1.145 1.00 0.28 O ATOM 99 CB PHE A 7 4.246 2.873 3.993 1.00 0.25 C ATOM 100 CG PHE A 7 5.161 3.995 4.421 1.00 0.39 C ATOM 101 CD1 PHE A 7 5.031 4.560 5.703 1.00 1.68 C ATOM 102 CD2 PHE A 7 6.123 4.494 3.526 1.00 1.90 C ATOM 103 CE1 PHE A 7 5.893 5.597 6.102 1.00 1.68 C ATOM 104 CE2 PHE A 7 6.980 5.535 3.923 1.00 1.97 C ATOM 105 CZ PHE A 7 6.872 6.080 5.214 1.00 0.68 C ATOM 106 H PHE A 7 1.472 3.852 4.781 1.00 0.23 H ATOM 107 HA PHE A 7 3.003 4.443 3.262 1.00 0.29 H ATOM 108 HB2 PHE A 7 4.018 2.241 4.849 1.00 0.28 H ATOM 109 HB3 PHE A 7 4.761 2.237 3.282 1.00 0.22 H ATOM 110 HD1 PHE A 7 4.264 4.200 6.375 1.00 2.98 H ATOM 111 HD2 PHE A 7 6.199 4.077 2.530 1.00 3.18 H ATOM 112 HE1 PHE A 7 5.805 6.025 7.090 1.00 2.96 H ATOM 113 HE2 PHE A 7 7.722 5.916 3.235 1.00 3.29 H ATOM 114 HZ PHE A 7 7.534 6.877 5.520 1.00 0.79 H ATOM 115 N PHE A 8 1.591 2.282 1.618 1.00 0.18 N ATOM 116 CA PHE A 8 1.215 1.639 0.368 1.00 0.22 C ATOM 117 C PHE A 8 2.330 0.750 -0.194 1.00 0.23 C ATOM 118 O PHE A 8 2.914 1.044 -1.235 1.00 0.32 O ATOM 119 CB PHE A 8 0.735 2.698 -0.631 1.00 0.29 C ATOM 120 CG PHE A 8 -0.014 2.109 -1.809 1.00 0.42 C ATOM 121 CD1 PHE A 8 -1.338 1.663 -1.636 1.00 1.93 C ATOM 122 CD2 PHE A 8 0.606 1.991 -3.066 1.00 1.64 C ATOM 123 CE1 PHE A 8 -2.040 1.106 -2.718 1.00 2.03 C ATOM 124 CE2 PHE A 8 -0.098 1.433 -4.147 1.00 1.65 C ATOM 125 CZ PHE A 8 -1.421 0.993 -3.975 1.00 0.77 C ATOM 126 H PHE A 8 0.913 2.286 2.361 1.00 0.16 H ATOM 127 HA PHE A 8 0.361 0.997 0.586 1.00 0.21 H ATOM 128 HB2 PHE A 8 0.062 3.386 -0.118 1.00 0.30 H ATOM 129 HB3 PHE A 8 1.588 3.280 -0.984 1.00 0.35 H ATOM 130 HD1 PHE A 8 -1.819 1.756 -0.672 1.00 3.21 H ATOM 131 HD2 PHE A 8 1.625 2.327 -3.202 1.00 2.94 H ATOM 132 HE1 PHE A 8 -3.060 0.772 -2.585 1.00 3.34 H ATOM 133 HE2 PHE A 8 0.380 1.346 -5.114 1.00 2.92 H ATOM 134 HZ PHE A 8 -1.963 0.575 -4.811 1.00 0.92 H ATOM 135 N LYS A 9 2.607 -0.387 0.457 1.00 0.16 N ATOM 136 CA LYS A 9 3.657 -1.296 -0.017 1.00 0.15 C ATOM 137 C LYS A 9 3.180 -2.176 -1.183 1.00 0.16 C ATOM 138 O LYS A 9 3.367 -3.386 -1.124 1.00 0.20 O ATOM 139 CB LYS A 9 4.186 -2.194 1.122 1.00 0.15 C ATOM 140 CG LYS A 9 5.108 -1.492 2.126 1.00 0.20 C ATOM 141 CD LYS A 9 4.396 -0.778 3.273 1.00 0.31 C ATOM 142 CE LYS A 9 3.729 -1.747 4.264 1.00 0.41 C ATOM 143 NZ LYS A 9 2.296 -1.993 3.991 1.00 1.34 N ATOM 144 H LYS A 9 2.074 -0.607 1.288 1.00 0.13 H ATOM 145 HA LYS A 9 4.488 -0.698 -0.398 1.00 0.18 H ATOM 146 HB2 LYS A 9 3.363 -2.694 1.623 1.00 0.24 H ATOM 147 HB3 LYS A 9 4.796 -2.977 0.677 1.00 0.19 H ATOM 148 HG2 LYS A 9 5.773 -2.238 2.564 1.00 0.25 H ATOM 149 HG3 LYS A 9 5.728 -0.773 1.590 1.00 0.26 H ATOM 150 HD2 LYS A 9 5.153 -0.221 3.826 1.00 0.38 H ATOM 151 HD3 LYS A 9 3.692 -0.057 2.868 1.00 0.31 H ATOM 152 HE2 LYS A 9 4.272 -2.694 4.259 1.00 0.78 H ATOM 153 HE3 LYS A 9 3.810 -1.311 5.261 1.00 1.11 H ATOM 154 HZ1 LYS A 9 1.810 -1.107 3.952 1.00 1.95 H ATOM 155 HZ2 LYS A 9 2.171 -2.488 3.123 1.00 2.35 H ATOM 156 HZ3 LYS A 9 1.897 -2.543 4.740 1.00 1.74 H ATOM 157 N ASN A 10 2.567 -1.607 -2.231 1.00 0.20 N ATOM 158 CA ASN A 10 2.087 -2.283 -3.422 1.00 0.25 C ATOM 159 C ASN A 10 1.556 -3.670 -3.106 1.00 0.25 C ATOM 160 O ASN A 10 1.910 -4.667 -3.726 1.00 0.28 O ATOM 161 CB ASN A 10 3.165 -2.285 -4.497 1.00 0.28 C ATOM 162 CG ASN A 10 3.021 -1.110 -5.427 1.00 0.83 C ATOM 163 OD1 ASN A 10 1.927 -0.657 -5.738 1.00 1.98 O ATOM 164 ND2 ASN A 10 4.132 -0.647 -5.946 1.00 0.35 N ATOM 165 H ASN A 10 2.419 -0.617 -2.265 1.00 0.25 H ATOM 166 HA ASN A 10 1.258 -1.700 -3.817 1.00 0.31 H ATOM 167 HB2 ASN A 10 4.151 -2.320 -4.041 1.00 0.34 H ATOM 168 HB3 ASN A 10 3.046 -3.136 -5.144 1.00 0.51 H ATOM 169 HD21 ASN A 10 5.032 -1.022 -5.704 1.00 0.99 H ATOM 170 HD22 ASN A 10 3.989 0.021 -6.668 1.00 0.79 H ATOM 171 N ILE A 11 0.613 -3.707 -2.172 1.00 0.23 N ATOM 172 CA ILE A 11 -0.070 -4.923 -1.760 1.00 0.25 C ATOM 173 C ILE A 11 -1.222 -5.207 -2.735 1.00 0.28 C ATOM 174 O ILE A 11 -2.304 -5.626 -2.334 1.00 0.33 O ATOM 175 CB ILE A 11 -0.492 -4.846 -0.280 1.00 0.26 C ATOM 176 CG1 ILE A 11 -1.110 -3.487 0.081 1.00 0.25 C ATOM 177 CG2 ILE A 11 0.703 -5.175 0.627 1.00 0.26 C ATOM 178 CD1 ILE A 11 -0.104 -2.460 0.631 1.00 0.21 C ATOM 179 H ILE A 11 0.343 -2.823 -1.785 1.00 0.22 H ATOM 180 HA ILE A 11 0.633 -5.739 -1.828 1.00 0.27 H ATOM 181 HB ILE A 11 -1.244 -5.617 -0.099 1.00 0.31 H ATOM 182 HG12 ILE A 11 -1.598 -3.087 -0.807 1.00 0.26 H ATOM 183 HG13 ILE A 11 -1.876 -3.651 0.837 1.00 0.29 H ATOM 184 HG21 ILE A 11 1.539 -4.502 0.431 1.00 1.40 H ATOM 185 HG22 ILE A 11 0.404 -5.100 1.673 1.00 1.46 H ATOM 186 HG23 ILE A 11 1.033 -6.196 0.437 1.00 1.51 H ATOM 187 HD11 ILE A 11 -0.568 -1.475 0.653 1.00 1.18 H ATOM 188 HD12 ILE A 11 0.197 -2.732 1.642 1.00 1.26 H ATOM 189 HD13 ILE A 11 0.789 -2.419 0.013 1.00 1.19 H ATOM 190 N VAL A 12 -0.996 -4.953 -4.029 1.00 0.34 N ATOM 191 CA VAL A 12 -1.967 -5.177 -5.084 1.00 0.35 C ATOM 192 C VAL A 12 -1.253 -5.544 -6.391 1.00 0.23 C ATOM 193 O VAL A 12 -1.359 -6.690 -6.812 1.00 0.36 O ATOM 194 CB VAL A 12 -2.946 -3.986 -5.156 1.00 0.48 C ATOM 195 CG1 VAL A 12 -2.314 -2.616 -4.859 1.00 0.57 C ATOM 196 CG2 VAL A 12 -3.695 -3.916 -6.489 1.00 0.47 C ATOM 197 H VAL A 12 -0.090 -4.595 -4.291 1.00 0.41 H ATOM 198 HA VAL A 12 -2.556 -6.054 -4.809 1.00 0.45 H ATOM 199 HB VAL A 12 -3.688 -4.157 -4.379 1.00 0.63 H ATOM 200 HG11 VAL A 12 -1.974 -2.575 -3.824 1.00 1.87 H ATOM 201 HG12 VAL A 12 -1.482 -2.407 -5.526 1.00 1.34 H ATOM 202 HG13 VAL A 12 -3.069 -1.840 -4.990 1.00 1.71 H ATOM 203 HG21 VAL A 12 -3.048 -3.492 -7.252 1.00 1.44 H ATOM 204 HG22 VAL A 12 -4.024 -4.912 -6.790 1.00 1.78 H ATOM 205 HG23 VAL A 12 -4.570 -3.275 -6.383 1.00 1.71 H ATOM 206 N THR A 13 -0.521 -4.606 -7.011 1.00 0.36 N ATOM 207 CA THR A 13 0.287 -4.790 -8.225 1.00 0.46 C ATOM 208 C THR A 13 -0.270 -5.853 -9.191 1.00 0.41 C ATOM 209 O THR A 13 0.280 -6.951 -9.296 1.00 1.29 O ATOM 210 CB THR A 13 1.763 -5.022 -7.844 1.00 0.82 C ATOM 211 OG1 THR A 13 2.533 -5.317 -8.989 1.00 2.02 O ATOM 212 CG2 THR A 13 1.998 -6.125 -6.809 1.00 0.60 C ATOM 213 H THR A 13 -0.490 -3.692 -6.592 1.00 0.56 H ATOM 214 HA THR A 13 0.274 -3.843 -8.764 1.00 0.58 H ATOM 215 HB THR A 13 2.143 -4.092 -7.421 1.00 1.62 H ATOM 216 HG1 THR A 13 2.240 -6.181 -9.307 1.00 2.04 H ATOM 217 HG21 THR A 13 1.607 -7.079 -7.161 1.00 1.94 H ATOM 218 HG22 THR A 13 3.068 -6.218 -6.622 1.00 1.57 H ATOM 219 HG23 THR A 13 1.510 -5.868 -5.872 1.00 1.39 H ATOM 220 N PRO A 14 -1.324 -5.535 -9.956 1.00 0.63 N ATOM 221 CA PRO A 14 -1.990 -6.508 -10.794 1.00 0.64 C ATOM 222 C PRO A 14 -1.050 -6.936 -11.916 1.00 0.90 C ATOM 223 O PRO A 14 -0.608 -6.128 -12.734 1.00 1.77 O ATOM 224 CB PRO A 14 -3.255 -5.817 -11.307 1.00 1.63 C ATOM 225 CG PRO A 14 -2.881 -4.337 -11.298 1.00 2.22 C ATOM 226 CD PRO A 14 -1.911 -4.221 -10.121 1.00 1.65 C ATOM 227 HA PRO A 14 -2.271 -7.377 -10.197 1.00 0.89 H ATOM 228 HB2 PRO A 14 -3.540 -6.160 -12.303 1.00 1.75 H ATOM 229 HB3 PRO A 14 -4.068 -5.986 -10.599 1.00 2.07 H ATOM 230 HG2 PRO A 14 -2.366 -4.082 -12.224 1.00 2.48 H ATOM 231 HG3 PRO A 14 -3.756 -3.701 -11.160 1.00 2.93 H ATOM 232 HD2 PRO A 14 -1.147 -3.479 -10.347 1.00 1.97 H ATOM 233 HD3 PRO A 14 -2.458 -3.960 -9.221 1.00 1.99 H ATOM 234 N ARG A 15 -0.741 -8.229 -11.954 1.00 1.36 N ATOM 235 CA ARG A 15 0.115 -8.823 -12.952 1.00 2.24 C ATOM 236 C ARG A 15 -0.596 -10.066 -13.462 1.00 3.11 C ATOM 237 O ARG A 15 -0.498 -11.134 -12.865 1.00 3.87 O ATOM 238 CB ARG A 15 1.464 -9.139 -12.304 1.00 2.97 C ATOM 239 CG ARG A 15 2.436 -9.732 -13.326 1.00 3.99 C ATOM 240 CD ARG A 15 3.660 -8.838 -13.552 1.00 5.16 C ATOM 241 NE ARG A 15 3.277 -7.489 -13.998 1.00 5.90 N ATOM 242 CZ ARG A 15 4.098 -6.597 -14.565 1.00 7.51 C ATOM 243 NH1 ARG A 15 5.379 -6.904 -14.779 1.00 8.23 N ATOM 244 NH2 ARG A 15 3.636 -5.396 -14.914 1.00 8.83 N ATOM 245 H ARG A 15 -1.050 -8.839 -11.215 1.00 1.69 H ATOM 246 HA ARG A 15 0.256 -8.125 -13.777 1.00 2.55 H ATOM 247 HB2 ARG A 15 1.878 -8.229 -11.871 1.00 3.77 H ATOM 248 HB3 ARG A 15 1.312 -9.856 -11.496 1.00 3.21 H ATOM 249 HG2 ARG A 15 2.764 -10.705 -12.963 1.00 4.30 H ATOM 250 HG3 ARG A 15 1.922 -9.878 -14.275 1.00 4.66 H ATOM 251 HD2 ARG A 15 4.221 -8.763 -12.619 1.00 5.64 H ATOM 252 HD3 ARG A 15 4.289 -9.312 -14.307 1.00 6.00 H ATOM 253 HE ARG A 15 2.318 -7.225 -13.816 1.00 5.64 H ATOM 254 HH11 ARG A 15 5.727 -7.809 -14.503 1.00 7.86 H ATOM 255 HH12 ARG A 15 6.025 -6.260 -15.208 1.00 9.46 H ATOM 256 HH21 ARG A 15 2.670 -5.148 -14.752 1.00 8.82 H ATOM 257 HH22 ARG A 15 4.228 -4.702 -15.344 1.00 10.12 H ATOM 258 N THR A 16 -1.317 -9.909 -14.562 1.00 3.61 N ATOM 259 CA THR A 16 -2.087 -10.959 -15.200 1.00 4.85 C ATOM 260 C THR A 16 -1.839 -10.842 -16.698 1.00 5.50 C ATOM 261 O THR A 16 -1.545 -9.740 -17.168 1.00 5.26 O ATOM 262 CB THR A 16 -3.576 -10.755 -14.885 1.00 5.32 C ATOM 263 OG1 THR A 16 -3.931 -9.410 -15.134 1.00 5.46 O ATOM 264 CG2 THR A 16 -3.892 -11.082 -13.425 1.00 5.08 C ATOM 265 H THR A 16 -1.391 -9.007 -15.008 1.00 3.51 H ATOM 266 HA THR A 16 -1.762 -11.936 -14.842 1.00 5.33 H ATOM 267 HB THR A 16 -4.178 -11.403 -15.523 1.00 6.31 H ATOM 268 HG1 THR A 16 -3.981 -9.306 -16.094 1.00 6.10 H ATOM 269 HG21 THR A 16 -3.701 -12.139 -13.237 1.00 5.45 H ATOM 270 HG22 THR A 16 -3.279 -10.479 -12.755 1.00 4.95 H ATOM 271 HG23 THR A 16 -4.942 -10.869 -13.225 1.00 5.52 H ATOM 272 N PRO A 17 -1.956 -11.943 -17.445 1.00 6.61 N ATOM 273 CA PRO A 17 -2.092 -11.878 -18.885 1.00 7.48 C ATOM 274 C PRO A 17 -3.486 -11.348 -19.235 1.00 7.99 C ATOM 275 O PRO A 17 -3.753 -11.239 -20.450 1.00 8.83 O ATOM 276 CB PRO A 17 -1.886 -13.321 -19.348 1.00 8.50 C ATOM 277 CG PRO A 17 -2.511 -14.126 -18.209 1.00 8.64 C ATOM 278 CD PRO A 17 -2.202 -13.291 -16.964 1.00 7.38 C ATOM 279 OXT PRO A 17 -4.264 -11.075 -18.288 1.00 8.03 O ATOM 280 HA PRO A 17 -1.337 -11.224 -19.322 1.00 7.29 H ATOM 281 HB2 PRO A 17 -2.365 -13.522 -20.306 1.00 9.31 H ATOM 282 HB3 PRO A 17 -0.817 -13.532 -19.401 1.00 8.44 H ATOM 283 HG2 PRO A 17 -3.591 -14.183 -18.353 1.00 9.14 H ATOM 284 HG3 PRO A 17 -2.080 -15.126 -18.138 1.00 9.25 H ATOM 285 HD2 PRO A 17 -3.050 -13.317 -16.278 1.00 7.44 H ATOM 286 HD3 PRO A 17 -1.303 -13.669 -16.477 1.00 7.25 H TER 287 PRO A 17 ENDMDL MASTER 138 0 0 1 0 0 0 6 142 1 0 2 END