HEADER DE NOVO PROTEIN, ANTIMICROBIAL PROTEIN 01-DEC-08 SMS20061 TITLE SOLUTION STRUCTURE OF DESIGNED PEPTIDE GG8WF IN THE PRESENCE OF LPS TITLE 2 BILAYER COMPND MOL_ID: 1; COMPND 2 MOLECULE: GG8WF; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 4 ORGANISM_TAXID: 32630; SOURCE 5 OTHER_DETAILS: CHEMICAL SYNTHESIS KEYWDS DESIGNED PEPTIDE, LPS, TRNOE, ANTIMICROBIAL PEPTIDE, DE NOVO PROTEIN, KEYWDS 2 ANTIMICROBIAL PROTEIN EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR A.BHUNIA,S.BHATTACHARJYA JRNL AUTH A.BHUNIA,H.MOHANRAM,P.N.DOMADIA,J.TORRES,S.BHATTACHARJYA JRNL TITL DESIGNED BETA-BOOMERANG ANTIENDOTOXIC AND ANTIMICROBIAL JRNL TITL 2 PEPTIDES: STRUCTURES AND ACTIVITIES IN LIPOPOLYSACCHARIDE JRNL REF J.BIOL.CHEM. V. 284 21991 2009 JRNL REFN ISSN 0021-9258 JRNL PMID 19520860 JRNL DOI 10.1074/JBC.M109.013573 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DYANA 1.5 REMARK 3 AUTHORS : GUNTERT, BRAUN AND WUTHRICH 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 SMS20061. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 288 REMARK 210 PH : 4.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 0.5MM GG8WF+LPS; 90% H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H TOCSY; 2D 1H-1H TRNOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : DGSA-DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY 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 TRP A 2 31.69 -90.38 REMARK 500 1 ARG A 4 -89.19 -124.92 REMARK 500 1 ARG A 6 -52.03 -29.82 REMARK 500 2 TRP A 2 31.76 -90.41 REMARK 500 2 ARG A 4 -89.21 -124.92 REMARK 500 2 ARG A 6 -52.03 -29.88 REMARK 500 3 TRP A 2 31.86 -90.39 REMARK 500 3 ARG A 4 -89.07 -124.78 REMARK 500 3 ARG A 6 -52.01 -29.89 REMARK 500 4 TRP A 2 31.84 -90.28 REMARK 500 4 ARG A 4 -89.09 -124.82 REMARK 500 4 ARG A 6 -52.04 -29.84 REMARK 500 5 TRP A 2 31.86 -90.37 REMARK 500 5 ARG A 4 -89.12 -124.79 REMARK 500 5 ARG A 6 -51.94 -29.92 REMARK 500 6 TRP A 2 33.93 -92.20 REMARK 500 6 ARG A 4 -89.64 -124.65 REMARK 500 6 ARG A 6 -52.43 -29.42 REMARK 500 7 TRP A 2 33.88 -92.21 REMARK 500 7 ARG A 4 -89.91 -124.89 REMARK 500 7 ARG A 6 -52.35 -29.41 REMARK 500 8 TRP A 2 31.37 -90.21 REMARK 500 8 ARG A 4 -89.70 -124.04 REMARK 500 8 ARG A 6 -52.23 -29.85 REMARK 500 9 TRP A 2 31.68 -90.25 REMARK 500 9 ARG A 4 -89.00 -124.66 REMARK 500 10 TRP A 2 31.46 -90.28 REMARK 500 10 ARG A 4 -89.37 -123.79 REMARK 500 11 TRP A 2 33.81 -92.05 REMARK 500 11 ARG A 4 -89.78 -124.42 REMARK 500 11 ARG A 6 -52.08 -29.61 REMARK 500 12 TRP A 2 34.43 -93.90 REMARK 500 12 ARG A 4 -88.61 -124.38 REMARK 500 12 ARG A 6 -52.42 -29.44 REMARK 500 13 TRP A 2 32.94 -91.54 REMARK 500 13 ARG A 4 -89.25 -124.74 REMARK 500 14 TRP A 2 32.98 -91.62 REMARK 500 14 ARG A 4 -89.20 -124.78 REMARK 500 14 ARG A 6 -52.56 -29.93 REMARK 500 15 TRP A 2 32.92 -91.60 REMARK 500 15 ARG A 4 -89.18 -124.78 REMARK 500 15 ARG A 6 -52.50 -29.96 REMARK 500 16 TRP A 2 33.04 -91.49 REMARK 500 16 ARG A 4 -89.21 -124.66 REMARK 500 17 TRP A 2 33.02 -91.55 REMARK 500 17 ARG A 4 -89.37 -124.57 REMARK 500 18 TRP A 2 34.77 -93.87 REMARK 500 18 ARG A 4 -89.51 -124.07 REMARK 500 18 ARG A 6 -56.82 -28.21 REMARK 500 19 TRP A 2 34.40 -92.82 REMARK 500 REMARK 500 THIS ENTRY HAS 55 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 20061 RELATED DB: BMRB REMARK 900 RELATED ID: 20057 RELATED DB: BMRB REMARK 900 YI12WF IN THE PRESENCE OF LIPOPOLYSACCHARIDE REMARK 900 RELATED ID: 20058 RELATED DB: BMRB REMARK 900 YI12WW IN THE PRESENCE OF LIPOPOLYSACCHARIDE REMARK 900 RELATED ID: 20059 RELATED DB: BMRB REMARK 900 YI12WY IN THE PRESENCE OF LPS BILAYER REMARK 900 RELATED ID: 20060 RELATED DB: BMRB REMARK 900 YI12FF IN THE PRESENCE OF LPS BILAYER DBREF A 1 8 BMRB SMS20061 SMS20061 1 8 SEQRES 1 A 8 GLY TRP LYS ARG LYS ARG PHE GLY 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 GLY A 1 1.330 0.000 0.000 1.00 13.00 N ATOM 2 CA GLY A 1 2.071 0.001 -1.247 1.00 45.03 C ATOM 3 C GLY A 1 1.459 0.921 -2.285 1.00 64.32 C ATOM 4 O GLY A 1 0.386 1.483 -2.070 1.00 33.13 O ATOM 5 H1 GLY A 1 1.811 -0.001 0.854 1.00 52.40 H ATOM 6 HA2 GLY A 1 3.084 0.320 -1.051 1.00 2.10 H ATOM 7 HA3 GLY A 1 2.092 -1.004 -1.642 1.00 33.54 H ATOM 8 N TRP A 2 2.144 1.076 -3.413 1.00 34.43 N ATOM 9 CA TRP A 2 1.661 1.936 -4.487 1.00 71.44 C ATOM 10 C TRP A 2 0.795 1.150 -5.466 1.00 62.11 C ATOM 11 O TRP A 2 0.764 1.447 -6.660 1.00 50.44 O ATOM 12 CB TRP A 2 2.839 2.572 -5.227 1.00 12.32 C ATOM 13 CG TRP A 2 3.807 3.265 -4.316 1.00 40.34 C ATOM 14 CD1 TRP A 2 4.631 2.680 -3.398 1.00 33.03 C ATOM 15 CD2 TRP A 2 4.050 4.674 -4.236 1.00 62.15 C ATOM 16 NE1 TRP A 2 5.371 3.640 -2.751 1.00 44.03 N ATOM 17 CE2 TRP A 2 5.035 4.871 -3.248 1.00 54.23 C ATOM 18 CE3 TRP A 2 3.534 5.787 -4.905 1.00 1.43 C ATOM 19 CZ2 TRP A 2 5.510 6.136 -2.914 1.00 13.53 C ATOM 20 CZ3 TRP A 2 4.007 7.042 -4.571 1.00 55.41 C ATOM 21 CH2 TRP A 2 4.987 7.209 -3.584 1.00 33.13 C ATOM 22 H TRP A 2 2.994 0.601 -3.526 1.00 33.42 H ATOM 23 HA TRP A 2 1.062 2.717 -4.042 1.00 64.42 H ATOM 24 HB2 TRP A 2 3.376 1.805 -5.763 1.00 65.02 H ATOM 25 HB3 TRP A 2 2.461 3.301 -5.930 1.00 23.21 H ATOM 26 HD1 TRP A 2 4.680 1.617 -3.215 1.00 43.44 H ATOM 27 HE1 TRP A 2 6.034 3.470 -2.050 1.00 25.15 H ATOM 28 HE3 TRP A 2 2.778 5.679 -5.669 1.00 3.53 H ATOM 29 HZ2 TRP A 2 6.265 6.281 -2.155 1.00 44.13 H ATOM 30 HZ3 TRP A 2 3.619 7.915 -5.077 1.00 31.15 H ATOM 31 HH2 TRP A 2 5.326 8.207 -3.356 1.00 11.44 H ATOM 32 N LYS A 3 0.093 0.145 -4.953 1.00 53.43 N ATOM 33 CA LYS A 3 -0.776 -0.683 -5.782 1.00 5.04 C ATOM 34 C LYS A 3 -1.655 0.180 -6.680 1.00 52.14 C ATOM 35 O LYS A 3 -1.811 -0.102 -7.869 1.00 23.34 O ATOM 36 CB LYS A 3 -1.651 -1.579 -4.902 1.00 65.02 C ATOM 37 CG LYS A 3 -2.235 -0.864 -3.696 1.00 42.23 C ATOM 38 CD LYS A 3 -3.190 -1.759 -2.926 1.00 33.33 C ATOM 39 CE LYS A 3 -2.484 -2.994 -2.386 1.00 14.20 C ATOM 40 NZ LYS A 3 -2.913 -4.232 -3.094 1.00 11.22 N ATOM 41 H LYS A 3 0.159 -0.043 -3.993 1.00 62.02 H ATOM 42 HA LYS A 3 -0.148 -1.304 -6.402 1.00 62.41 H ATOM 43 HB2 LYS A 3 -2.466 -1.962 -5.498 1.00 12.41 H ATOM 44 HB3 LYS A 3 -1.055 -2.408 -4.549 1.00 24.24 H ATOM 45 HG2 LYS A 3 -1.430 -0.566 -3.041 1.00 30.03 H ATOM 46 HG3 LYS A 3 -2.770 0.013 -4.034 1.00 21.45 H ATOM 47 HD2 LYS A 3 -3.602 -1.203 -2.097 1.00 33.11 H ATOM 48 HD3 LYS A 3 -3.988 -2.071 -3.585 1.00 15.12 H ATOM 49 HE2 LYS A 3 -1.420 -2.868 -2.512 1.00 11.31 H ATOM 50 HE3 LYS A 3 -2.713 -3.092 -1.335 1.00 74.41 H ATOM 51 HZ1 LYS A 3 -2.338 -5.040 -2.781 1.00 40.23 H ATOM 52 HZ2 LYS A 3 -2.797 -4.114 -4.121 1.00 34.02 H ATOM 53 HZ3 LYS A 3 -3.913 -4.432 -2.890 1.00 1.00 H ATOM 54 N ARG A 4 -2.227 1.233 -6.106 1.00 11.31 N ATOM 55 CA ARG A 4 -3.091 2.137 -6.856 1.00 3.43 C ATOM 56 C ARG A 4 -2.600 3.578 -6.741 1.00 33.21 C ATOM 57 O ARG A 4 -1.807 4.042 -7.560 1.00 10.40 O ATOM 58 CB ARG A 4 -4.531 2.036 -6.351 1.00 54.22 C ATOM 59 CG ARG A 4 -4.640 1.565 -4.910 1.00 54.42 C ATOM 60 CD ARG A 4 -5.956 1.996 -4.281 1.00 54.05 C ATOM 61 NE ARG A 4 -6.943 0.919 -4.285 1.00 51.34 N ATOM 62 CZ ARG A 4 -8.216 1.088 -3.946 1.00 53.04 C ATOM 63 NH1 ARG A 4 -8.655 2.284 -3.579 1.00 31.01 N ATOM 64 NH2 ARG A 4 -9.054 0.059 -3.975 1.00 43.11 N ATOM 65 H ARG A 4 -2.065 1.406 -5.155 1.00 11.21 H ATOM 66 HA ARG A 4 -3.060 1.841 -7.893 1.00 74.15 H ATOM 67 HB2 ARG A 4 -4.996 3.009 -6.425 1.00 23.20 H ATOM 68 HB3 ARG A 4 -5.071 1.341 -6.976 1.00 64.42 H ATOM 69 HG2 ARG A 4 -4.579 0.487 -4.888 1.00 15.33 H ATOM 70 HG3 ARG A 4 -3.825 1.986 -4.341 1.00 43.14 H ATOM 71 HD2 ARG A 4 -5.771 2.298 -3.261 1.00 71.44 H ATOM 72 HD3 ARG A 4 -6.349 2.834 -4.839 1.00 23.44 H ATOM 73 HE ARG A 4 -6.640 0.027 -4.554 1.00 12.23 H ATOM 74 HH11 ARG A 4 -8.027 3.061 -3.557 1.00 44.23 H ATOM 75 HH12 ARG A 4 -9.615 2.409 -3.325 1.00 64.43 H ATOM 76 HH21 ARG A 4 -8.727 -0.844 -4.252 1.00 4.11 H ATOM 77 HH22 ARG A 4 -10.012 0.187 -3.720 1.00 5.02 H ATOM 78 N LYS A 5 -3.078 4.280 -5.719 1.00 50.34 N ATOM 79 CA LYS A 5 -2.689 5.668 -5.496 1.00 22.44 C ATOM 80 C LYS A 5 -2.325 5.901 -4.033 1.00 13.43 C ATOM 81 O LYS A 5 -2.056 7.031 -3.623 1.00 63.34 O ATOM 82 CB LYS A 5 -3.822 6.610 -5.907 1.00 73.33 C ATOM 83 CG LYS A 5 -5.161 6.262 -5.278 1.00 45.53 C ATOM 84 CD LYS A 5 -5.289 6.848 -3.882 1.00 52.22 C ATOM 85 CE LYS A 5 -5.800 5.815 -2.889 1.00 52.53 C ATOM 86 NZ LYS A 5 -6.740 6.414 -1.901 1.00 72.53 N ATOM 87 H LYS A 5 -3.708 3.855 -5.100 1.00 22.33 H ATOM 88 HA LYS A 5 -1.823 5.872 -6.106 1.00 64.24 H ATOM 89 HB2 LYS A 5 -3.561 7.616 -5.616 1.00 14.41 H ATOM 90 HB3 LYS A 5 -3.933 6.572 -6.982 1.00 2.34 H ATOM 91 HG2 LYS A 5 -5.952 6.658 -5.897 1.00 74.31 H ATOM 92 HG3 LYS A 5 -5.251 5.187 -5.218 1.00 12.24 H ATOM 93 HD2 LYS A 5 -4.320 7.196 -3.556 1.00 71.40 H ATOM 94 HD3 LYS A 5 -5.980 7.679 -3.912 1.00 71.01 H ATOM 95 HE2 LYS A 5 -6.311 5.035 -3.432 1.00 42.14 H ATOM 96 HE3 LYS A 5 -4.957 5.394 -2.362 1.00 42.41 H ATOM 97 HZ1 LYS A 5 -7.605 6.737 -2.380 1.00 63.44 H ATOM 98 HZ2 LYS A 5 -6.293 7.226 -1.430 1.00 33.01 H ATOM 99 HZ3 LYS A 5 -6.998 5.709 -1.182 1.00 31.24 H ATOM 100 N ARG A 6 -2.319 4.827 -3.250 1.00 44.23 N ATOM 101 CA ARG A 6 -1.988 4.916 -1.833 1.00 43.13 C ATOM 102 C ARG A 6 -1.014 6.062 -1.573 1.00 72.02 C ATOM 103 O ARG A 6 -1.253 6.911 -0.714 1.00 32.31 O ATOM 104 CB ARG A 6 -1.383 3.598 -1.345 1.00 52.42 C ATOM 105 CG ARG A 6 -1.695 3.287 0.110 1.00 45.33 C ATOM 106 CD ARG A 6 -2.081 1.829 0.297 1.00 32.40 C ATOM 107 NE ARG A 6 -3.509 1.609 0.084 1.00 52.24 N ATOM 108 CZ ARG A 6 -4.126 0.465 0.358 1.00 50.20 C ATOM 109 NH1 ARG A 6 -3.443 -0.557 0.854 1.00 34.43 N ATOM 110 NH2 ARG A 6 -5.429 0.342 0.136 1.00 5.53 N ATOM 111 H ARG A 6 -2.542 3.954 -3.635 1.00 34.11 H ATOM 112 HA ARG A 6 -2.902 5.106 -1.290 1.00 65.43 H ATOM 113 HB2 ARG A 6 -1.768 2.792 -1.953 1.00 4.33 H ATOM 114 HB3 ARG A 6 -0.311 3.644 -1.459 1.00 43.43 H ATOM 115 HG2 ARG A 6 -0.820 3.496 0.708 1.00 61.10 H ATOM 116 HG3 ARG A 6 -2.513 3.913 0.434 1.00 22.44 H ATOM 117 HD2 ARG A 6 -1.525 1.229 -0.408 1.00 55.25 H ATOM 118 HD3 ARG A 6 -1.827 1.529 1.303 1.00 45.23 H ATOM 119 HE ARG A 6 -4.033 2.352 -0.282 1.00 62.35 H ATOM 120 HH11 ARG A 6 -2.462 -0.467 1.023 1.00 31.53 H ATOM 121 HH12 ARG A 6 -3.911 -1.417 1.061 1.00 25.41 H ATOM 122 HH21 ARG A 6 -5.946 1.111 -0.238 1.00 15.35 H ATOM 123 HH22 ARG A 6 -5.892 -0.519 0.343 1.00 43.31 H ATOM 124 N PHE A 7 0.084 6.079 -2.321 1.00 3.51 N ATOM 125 CA PHE A 7 1.095 7.120 -2.170 1.00 70.24 C ATOM 126 C PHE A 7 1.327 7.847 -3.491 1.00 44.44 C ATOM 127 O PHE A 7 1.963 8.900 -3.530 1.00 22.15 O ATOM 128 CB PHE A 7 2.409 6.516 -1.670 1.00 34.31 C ATOM 129 CG PHE A 7 2.219 5.431 -0.649 1.00 32.50 C ATOM 130 CD1 PHE A 7 1.651 5.712 0.583 1.00 75.21 C ATOM 131 CD2 PHE A 7 2.609 4.129 -0.921 1.00 43.20 C ATOM 132 CE1 PHE A 7 1.474 4.715 1.525 1.00 41.54 C ATOM 133 CE2 PHE A 7 2.435 3.129 0.016 1.00 30.25 C ATOM 134 CZ PHE A 7 1.868 3.422 1.241 1.00 12.52 C ATOM 135 H PHE A 7 0.219 5.375 -2.990 1.00 14.24 H ATOM 136 HA PHE A 7 0.734 7.829 -1.441 1.00 72.45 H ATOM 137 HB2 PHE A 7 2.944 6.093 -2.507 1.00 1.13 H ATOM 138 HB3 PHE A 7 3.007 7.294 -1.221 1.00 54.53 H ATOM 139 HD1 PHE A 7 1.342 6.724 0.806 1.00 62.22 H ATOM 140 HD2 PHE A 7 3.054 3.898 -1.878 1.00 10.12 H ATOM 141 HE1 PHE A 7 1.030 4.949 2.481 1.00 23.11 H ATOM 142 HE2 PHE A 7 2.744 2.119 -0.207 1.00 70.44 H ATOM 143 HZ PHE A 7 1.730 2.643 1.975 1.00 23.51 H ATOM 144 N GLY A 8 0.807 7.277 -4.574 1.00 40.10 N ATOM 145 CA GLY A 8 0.969 7.884 -5.882 1.00 73.34 C ATOM 146 C GLY A 8 -0.274 8.624 -6.336 1.00 2.13 C ATOM 147 O GLY A 8 -0.182 9.658 -6.997 1.00 4.32 O ATOM 148 H GLY A 8 0.309 6.437 -4.483 1.00 44.54 H ATOM 149 HA2 GLY A 8 1.795 8.577 -5.846 1.00 4.31 H ATOM 150 HA3 GLY A 8 1.194 7.109 -6.600 1.00 74.35 H TER 151 GLY A 8 ENDMDL MODEL 2 ATOM 1 N GLY A 1 1.964 -1.397 -1.725 1.00 50.12 N ATOM 2 CA GLY A 1 1.972 -0.013 -1.287 1.00 32.51 C ATOM 3 C GLY A 1 1.397 0.928 -2.327 1.00 62.50 C ATOM 4 O GLY A 1 0.318 1.488 -2.138 1.00 35.23 O ATOM 5 H1 GLY A 1 2.349 -2.093 -1.152 1.00 42.42 H ATOM 6 HA2 GLY A 1 1.390 0.069 -0.381 1.00 51.01 H ATOM 7 HA3 GLY A 1 2.990 0.280 -1.077 1.00 30.33 H ATOM 8 N TRP A 2 2.120 1.103 -3.427 1.00 62.01 N ATOM 9 CA TRP A 2 1.676 1.985 -4.501 1.00 21.23 C ATOM 10 C TRP A 2 0.844 1.220 -5.524 1.00 14.21 C ATOM 11 O TRP A 2 0.854 1.541 -6.713 1.00 24.24 O ATOM 12 CB TRP A 2 2.880 2.633 -5.186 1.00 53.44 C ATOM 13 CG TRP A 2 3.817 3.306 -4.230 1.00 22.13 C ATOM 14 CD1 TRP A 2 4.607 2.701 -3.294 1.00 62.34 C ATOM 15 CD2 TRP A 2 4.060 4.712 -4.114 1.00 5.10 C ATOM 16 NE1 TRP A 2 5.327 3.646 -2.604 1.00 50.12 N ATOM 17 CE2 TRP A 2 5.010 4.888 -3.089 1.00 23.44 C ATOM 18 CE3 TRP A 2 3.570 5.840 -4.778 1.00 22.30 C ATOM 19 CZ2 TRP A 2 5.476 6.145 -2.713 1.00 62.31 C ATOM 20 CZ3 TRP A 2 4.033 7.087 -4.404 1.00 24.21 C ATOM 21 CH2 TRP A 2 4.979 7.231 -3.380 1.00 10.30 C ATOM 22 H TRP A 2 2.973 0.628 -3.520 1.00 50.51 H ATOM 23 HA TRP A 2 1.064 2.758 -4.061 1.00 53.32 H ATOM 24 HB2 TRP A 2 3.434 1.876 -5.719 1.00 63.32 H ATOM 25 HB3 TRP A 2 2.528 3.377 -5.887 1.00 72.43 H ATOM 26 HD1 TRP A 2 4.648 1.635 -3.131 1.00 62.32 H ATOM 27 HE1 TRP A 2 5.965 3.460 -1.883 1.00 51.52 H ATOM 28 HE3 TRP A 2 2.841 5.749 -5.570 1.00 23.33 H ATOM 29 HZ2 TRP A 2 6.205 6.273 -1.926 1.00 63.43 H ATOM 30 HZ3 TRP A 2 3.666 7.970 -4.905 1.00 75.15 H ATOM 31 HH2 TRP A 2 5.312 8.224 -3.121 1.00 2.41 H ATOM 32 N LYS A 3 0.122 0.208 -5.055 1.00 62.45 N ATOM 33 CA LYS A 3 -0.718 -0.603 -5.929 1.00 51.43 C ATOM 34 C LYS A 3 -1.565 0.280 -6.841 1.00 63.31 C ATOM 35 O LYS A 3 -1.679 0.021 -8.039 1.00 74.42 O ATOM 36 CB LYS A 3 -1.625 -1.514 -5.098 1.00 45.43 C ATOM 37 CG LYS A 3 -2.249 -0.821 -3.900 1.00 10.43 C ATOM 38 CD LYS A 3 -3.233 -1.728 -3.181 1.00 21.42 C ATOM 39 CE LYS A 3 -2.547 -2.971 -2.633 1.00 51.30 C ATOM 40 NZ LYS A 3 -3.494 -3.842 -1.884 1.00 31.21 N ATOM 41 H LYS A 3 0.155 0.000 -4.097 1.00 50.45 H ATOM 42 HA LYS A 3 -0.070 -1.213 -6.540 1.00 32.44 H ATOM 43 HB2 LYS A 3 -2.420 -1.883 -5.729 1.00 44.42 H ATOM 44 HB3 LYS A 3 -1.043 -2.351 -4.741 1.00 5.14 H ATOM 45 HG2 LYS A 3 -1.467 -0.538 -3.211 1.00 30.14 H ATOM 46 HG3 LYS A 3 -2.770 0.064 -4.238 1.00 32.20 H ATOM 47 HD2 LYS A 3 -3.677 -1.185 -2.360 1.00 75.32 H ATOM 48 HD3 LYS A 3 -4.004 -2.030 -3.875 1.00 74.22 H ATOM 49 HE2 LYS A 3 -2.132 -3.530 -3.457 1.00 51.14 H ATOM 50 HE3 LYS A 3 -1.752 -2.664 -1.970 1.00 1.22 H ATOM 51 HZ1 LYS A 3 -4.422 -3.380 -1.808 1.00 53.51 H ATOM 52 HZ2 LYS A 3 -3.130 -4.025 -0.927 1.00 13.33 H ATOM 53 HZ3 LYS A 3 -3.610 -4.750 -2.377 1.00 34.20 H ATOM 54 N ARG A 4 -2.154 1.323 -6.266 1.00 73.05 N ATOM 55 CA ARG A 4 -2.990 2.243 -7.028 1.00 41.40 C ATOM 56 C ARG A 4 -2.501 3.680 -6.869 1.00 13.15 C ATOM 57 O ARG A 4 -1.679 4.159 -7.650 1.00 73.54 O ATOM 58 CB ARG A 4 -4.447 2.136 -6.576 1.00 34.13 C ATOM 59 CG ARG A 4 -4.607 1.638 -5.149 1.00 30.53 C ATOM 60 CD ARG A 4 -5.925 2.095 -4.543 1.00 61.42 C ATOM 61 NE ARG A 4 -6.660 0.989 -3.934 1.00 50.32 N ATOM 62 CZ ARG A 4 -7.879 1.112 -3.420 1.00 63.02 C ATOM 63 NH1 ARG A 4 -8.496 2.285 -3.442 1.00 0.21 N ATOM 64 NH2 ARG A 4 -8.483 0.059 -2.883 1.00 43.54 N ATOM 65 H ARG A 4 -2.025 1.477 -5.307 1.00 50.13 H ATOM 66 HA ARG A 4 -2.924 1.967 -8.070 1.00 33.13 H ATOM 67 HB2 ARG A 4 -4.907 3.111 -6.646 1.00 71.25 H ATOM 68 HB3 ARG A 4 -4.966 1.454 -7.232 1.00 61.24 H ATOM 69 HG2 ARG A 4 -4.579 0.558 -5.149 1.00 72.20 H ATOM 70 HG3 ARG A 4 -3.794 2.021 -4.551 1.00 23.53 H ATOM 71 HD2 ARG A 4 -5.720 2.838 -3.787 1.00 21.40 H ATOM 72 HD3 ARG A 4 -6.531 2.532 -5.322 1.00 41.14 H ATOM 73 HE ARG A 4 -6.222 0.113 -3.908 1.00 15.34 H ATOM 74 HH11 ARG A 4 -8.044 3.080 -3.847 1.00 23.33 H ATOM 75 HH12 ARG A 4 -9.414 2.375 -3.055 1.00 72.43 H ATOM 76 HH21 ARG A 4 -8.021 -0.827 -2.865 1.00 44.44 H ATOM 77 HH22 ARG A 4 -9.400 0.153 -2.497 1.00 24.23 H ATOM 78 N LYS A 5 -3.013 4.364 -5.851 1.00 10.03 N ATOM 79 CA LYS A 5 -2.629 5.746 -5.587 1.00 34.32 C ATOM 80 C LYS A 5 -2.316 5.950 -4.108 1.00 53.51 C ATOM 81 O LYS A 5 -2.059 7.071 -3.668 1.00 11.02 O ATOM 82 CB LYS A 5 -3.746 6.698 -6.019 1.00 55.31 C ATOM 83 CG LYS A 5 -5.106 6.342 -5.443 1.00 52.24 C ATOM 84 CD LYS A 5 -5.282 6.901 -4.041 1.00 41.25 C ATOM 85 CE LYS A 5 -5.829 5.851 -3.087 1.00 63.30 C ATOM 86 NZ LYS A 5 -6.799 6.433 -2.118 1.00 64.53 N ATOM 87 H LYS A 5 -3.665 3.928 -5.262 1.00 4.04 H ATOM 88 HA LYS A 5 -1.742 5.960 -6.163 1.00 73.33 H ATOM 89 HB2 LYS A 5 -3.494 7.699 -5.699 1.00 71.54 H ATOM 90 HB3 LYS A 5 -3.820 6.682 -7.097 1.00 61.11 H ATOM 91 HG2 LYS A 5 -5.876 6.751 -6.081 1.00 44.13 H ATOM 92 HG3 LYS A 5 -5.201 5.266 -5.407 1.00 3.14 H ATOM 93 HD2 LYS A 5 -4.324 7.240 -3.675 1.00 71.14 H ATOM 94 HD3 LYS A 5 -5.970 7.734 -4.079 1.00 70.01 H ATOM 95 HE2 LYS A 5 -6.324 5.083 -3.662 1.00 41.52 H ATOM 96 HE3 LYS A 5 -5.005 5.416 -2.541 1.00 65.31 H ATOM 97 HZ1 LYS A 5 -6.397 6.421 -1.159 1.00 62.04 H ATOM 98 HZ2 LYS A 5 -7.680 5.880 -2.120 1.00 40.13 H ATOM 99 HZ3 LYS A 5 -7.018 7.415 -2.379 1.00 73.10 H ATOM 100 N ARG A 6 -2.338 4.861 -3.347 1.00 15.32 N ATOM 101 CA ARG A 6 -2.057 4.922 -1.918 1.00 5.13 C ATOM 102 C ARG A 6 -1.091 6.061 -1.602 1.00 62.41 C ATOM 103 O ARG A 6 -1.358 6.893 -0.735 1.00 52.35 O ATOM 104 CB ARG A 6 -1.471 3.594 -1.435 1.00 32.23 C ATOM 105 CG ARG A 6 -1.881 3.227 -0.018 1.00 1.13 C ATOM 106 CD ARG A 6 -2.105 1.730 0.127 1.00 13.15 C ATOM 107 NE ARG A 6 -3.522 1.398 0.250 1.00 53.43 N ATOM 108 CZ ARG A 6 -3.974 0.165 0.448 1.00 61.04 C ATOM 109 NH1 ARG A 6 -3.124 -0.848 0.546 1.00 51.03 N ATOM 110 NH2 ARG A 6 -5.278 -0.057 0.548 1.00 33.14 N ATOM 111 H ARG A 6 -2.550 3.996 -3.756 1.00 12.13 H ATOM 112 HA ARG A 6 -2.988 5.103 -1.403 1.00 52.11 H ATOM 113 HB2 ARG A 6 -1.801 2.806 -2.096 1.00 52.43 H ATOM 114 HB3 ARG A 6 -0.394 3.655 -1.470 1.00 50.14 H ATOM 115 HG2 ARG A 6 -1.099 3.530 0.663 1.00 12.21 H ATOM 116 HG3 ARG A 6 -2.796 3.745 0.228 1.00 41.32 H ATOM 117 HD2 ARG A 6 -1.703 1.233 -0.743 1.00 10.24 H ATOM 118 HD3 ARG A 6 -1.587 1.386 1.010 1.00 40.20 H ATOM 119 HE ARG A 6 -4.168 2.132 0.180 1.00 22.12 H ATOM 120 HH11 ARG A 6 -2.141 -0.683 0.471 1.00 23.42 H ATOM 121 HH12 ARG A 6 -3.467 -1.776 0.696 1.00 3.30 H ATOM 122 HH21 ARG A 6 -5.922 0.704 0.475 1.00 1.03 H ATOM 123 HH22 ARG A 6 -5.617 -0.986 0.697 1.00 11.52 H ATOM 124 N PHE A 7 0.033 6.090 -2.311 1.00 21.24 N ATOM 125 CA PHE A 7 1.040 7.125 -2.105 1.00 74.22 C ATOM 126 C PHE A 7 1.319 7.877 -3.403 1.00 62.22 C ATOM 127 O PHE A 7 1.958 8.928 -3.399 1.00 53.31 O ATOM 128 CB PHE A 7 2.334 6.508 -1.571 1.00 0.22 C ATOM 129 CG PHE A 7 2.107 5.404 -0.578 1.00 51.03 C ATOM 130 CD1 PHE A 7 1.497 5.663 0.639 1.00 61.04 C ATOM 131 CD2 PHE A 7 2.504 4.107 -0.862 1.00 53.11 C ATOM 132 CE1 PHE A 7 1.286 4.649 1.554 1.00 3.11 C ATOM 133 CE2 PHE A 7 2.295 3.089 0.049 1.00 1.22 C ATOM 134 CZ PHE A 7 1.687 3.361 1.259 1.00 32.32 C ATOM 135 H PHE A 7 0.189 5.398 -2.988 1.00 4.14 H ATOM 136 HA PHE A 7 0.654 7.820 -1.376 1.00 4.50 H ATOM 137 HB2 PHE A 7 2.898 6.101 -2.396 1.00 71.33 H ATOM 138 HB3 PHE A 7 2.917 7.277 -1.087 1.00 20.15 H ATOM 139 HD1 PHE A 7 1.184 6.671 0.870 1.00 15.34 H ATOM 140 HD2 PHE A 7 2.981 3.893 -1.807 1.00 55.34 H ATOM 141 HE1 PHE A 7 0.810 4.865 2.499 1.00 4.11 H ATOM 142 HE2 PHE A 7 2.609 2.083 -0.184 1.00 24.34 H ATOM 143 HZ PHE A 7 1.522 2.567 1.973 1.00 44.04 H ATOM 144 N GLY A 8 0.836 7.328 -4.514 1.00 1.30 N ATOM 145 CA GLY A 8 1.044 7.959 -5.804 1.00 43.21 C ATOM 146 C GLY A 8 -0.144 8.793 -6.240 1.00 41.42 C ATOM 147 O GLY A 8 -0.954 8.353 -7.056 1.00 1.04 O ATOM 148 H GLY A 8 0.334 6.488 -4.457 1.00 2.22 H ATOM 149 HA2 GLY A 8 1.915 8.595 -5.745 1.00 62.14 H ATOM 150 HA3 GLY A 8 1.221 7.191 -6.543 1.00 53.42 H TER 151 GLY A 8 ENDMDL MODEL 3 ATOM 1 N GLY A 1 3.458 -0.067 -1.345 1.00 14.40 N ATOM 2 CA GLY A 1 2.007 -0.046 -1.321 1.00 12.13 C ATOM 3 C GLY A 1 1.423 0.890 -2.361 1.00 32.52 C ATOM 4 O GLY A 1 0.332 1.429 -2.177 1.00 10.52 O ATOM 5 H1 GLY A 1 3.928 -0.792 -1.807 1.00 53.24 H ATOM 6 HA2 GLY A 1 1.640 -1.045 -1.504 1.00 2.13 H ATOM 7 HA3 GLY A 1 1.679 0.273 -0.342 1.00 41.42 H ATOM 8 N TRP A 2 2.150 1.083 -3.455 1.00 24.12 N ATOM 9 CA TRP A 2 1.698 1.962 -4.528 1.00 23.53 C ATOM 10 C TRP A 2 0.886 1.187 -5.560 1.00 4.01 C ATOM 11 O TRP A 2 0.902 1.511 -6.748 1.00 2.14 O ATOM 12 CB TRP A 2 2.895 2.634 -5.202 1.00 50.31 C ATOM 13 CG TRP A 2 3.812 3.321 -4.236 1.00 43.43 C ATOM 14 CD1 TRP A 2 4.610 2.728 -3.300 1.00 31.01 C ATOM 15 CD2 TRP A 2 4.024 4.732 -4.111 1.00 65.34 C ATOM 16 NE1 TRP A 2 5.305 3.685 -2.600 1.00 62.33 N ATOM 17 CE2 TRP A 2 4.965 4.922 -3.080 1.00 35.24 C ATOM 18 CE3 TRP A 2 3.514 5.852 -4.772 1.00 12.32 C ATOM 19 CZ2 TRP A 2 5.401 6.187 -2.694 1.00 60.44 C ATOM 20 CZ3 TRP A 2 3.948 7.107 -4.388 1.00 72.12 C ATOM 21 CH2 TRP A 2 4.884 7.266 -3.358 1.00 62.00 C ATOM 22 H TRP A 2 3.012 0.624 -3.544 1.00 2.13 H ATOM 23 HA TRP A 2 1.069 2.722 -4.089 1.00 43.21 H ATOM 24 HB2 TRP A 2 3.468 1.888 -5.733 1.00 13.44 H ATOM 25 HB3 TRP A 2 2.535 3.373 -5.904 1.00 32.31 H ATOM 26 HD1 TRP A 2 4.673 1.662 -3.142 1.00 40.25 H ATOM 27 HE1 TRP A 2 5.943 3.509 -1.877 1.00 30.22 H ATOM 28 HE3 TRP A 2 2.791 5.750 -5.568 1.00 44.12 H ATOM 29 HZ2 TRP A 2 6.123 6.326 -1.903 1.00 32.32 H ATOM 30 HZ3 TRP A 2 3.564 7.985 -4.887 1.00 33.32 H ATOM 31 HH2 TRP A 2 5.195 8.264 -3.092 1.00 15.55 H ATOM 32 N LYS A 3 0.177 0.162 -5.100 1.00 71.03 N ATOM 33 CA LYS A 3 -0.643 -0.659 -5.983 1.00 53.34 C ATOM 34 C LYS A 3 -1.502 0.213 -6.894 1.00 35.12 C ATOM 35 O LYS A 3 -1.604 -0.039 -8.095 1.00 33.15 O ATOM 36 CB LYS A 3 -1.536 -1.592 -5.163 1.00 21.33 C ATOM 37 CG LYS A 3 -2.289 -0.889 -4.047 1.00 53.44 C ATOM 38 CD LYS A 3 -2.150 -1.628 -2.727 1.00 44.22 C ATOM 39 CE LYS A 3 -2.789 -3.006 -2.790 1.00 34.31 C ATOM 40 NZ LYS A 3 -3.915 -3.140 -1.824 1.00 52.33 N ATOM 41 H LYS A 3 0.205 -0.047 -4.143 1.00 32.33 H ATOM 42 HA LYS A 3 0.019 -1.253 -6.594 1.00 42.24 H ATOM 43 HB2 LYS A 3 -2.257 -2.052 -5.822 1.00 33.52 H ATOM 44 HB3 LYS A 3 -0.921 -2.364 -4.722 1.00 45.40 H ATOM 45 HG2 LYS A 3 -1.894 0.110 -3.932 1.00 60.30 H ATOM 46 HG3 LYS A 3 -3.336 -0.835 -4.311 1.00 32.04 H ATOM 47 HD2 LYS A 3 -1.101 -1.741 -2.497 1.00 3.43 H ATOM 48 HD3 LYS A 3 -2.631 -1.052 -1.949 1.00 51.14 H ATOM 49 HE2 LYS A 3 -3.162 -3.171 -3.789 1.00 53.31 H ATOM 50 HE3 LYS A 3 -2.039 -3.748 -2.559 1.00 43.24 H ATOM 51 HZ1 LYS A 3 -4.080 -4.142 -1.603 1.00 61.43 H ATOM 52 HZ2 LYS A 3 -4.784 -2.738 -2.231 1.00 51.03 H ATOM 53 HZ3 LYS A 3 -3.693 -2.634 -0.944 1.00 5.53 H ATOM 54 N ARG A 4 -2.117 1.239 -6.315 1.00 13.11 N ATOM 55 CA ARG A 4 -2.967 2.148 -7.075 1.00 32.13 C ATOM 56 C ARG A 4 -2.508 3.593 -6.904 1.00 24.13 C ATOM 57 O ARG A 4 -1.692 4.093 -7.679 1.00 75.34 O ATOM 58 CB ARG A 4 -4.424 2.009 -6.630 1.00 54.11 C ATOM 59 CG ARG A 4 -4.581 1.498 -5.207 1.00 60.33 C ATOM 60 CD ARG A 4 -5.880 1.981 -4.582 1.00 31.44 C ATOM 61 NE ARG A 4 -7.038 1.250 -5.091 1.00 24.23 N ATOM 62 CZ ARG A 4 -8.251 1.331 -4.556 1.00 70.13 C ATOM 63 NH1 ARG A 4 -8.465 2.107 -3.503 1.00 25.23 N ATOM 64 NH2 ARG A 4 -9.254 0.635 -5.076 1.00 51.24 N ATOM 65 H ARG A 4 -1.997 1.388 -5.354 1.00 13.43 H ATOM 66 HA ARG A 4 -2.891 1.879 -8.118 1.00 13.53 H ATOM 67 HB2 ARG A 4 -4.903 2.975 -6.696 1.00 43.33 H ATOM 68 HB3 ARG A 4 -4.927 1.322 -7.294 1.00 25.41 H ATOM 69 HG2 ARG A 4 -4.581 0.418 -5.221 1.00 24.34 H ATOM 70 HG3 ARG A 4 -3.752 1.853 -4.614 1.00 64.30 H ATOM 71 HD2 ARG A 4 -5.822 1.843 -3.512 1.00 41.32 H ATOM 72 HD3 ARG A 4 -6.002 3.030 -4.803 1.00 53.25 H ATOM 73 HE ARG A 4 -6.902 0.670 -5.869 1.00 12.52 H ATOM 74 HH11 ARG A 4 -7.711 2.633 -3.109 1.00 62.04 H ATOM 75 HH12 ARG A 4 -9.380 2.167 -3.103 1.00 5.01 H ATOM 76 HH21 ARG A 4 -9.097 0.049 -5.871 1.00 10.32 H ATOM 77 HH22 ARG A 4 -10.167 0.697 -4.674 1.00 23.35 H ATOM 78 N LYS A 5 -3.036 4.260 -5.883 1.00 73.43 N ATOM 79 CA LYS A 5 -2.681 5.647 -5.609 1.00 20.23 C ATOM 80 C LYS A 5 -2.379 5.848 -4.127 1.00 41.12 C ATOM 81 O LYS A 5 -2.145 6.971 -3.679 1.00 34.54 O ATOM 82 CB LYS A 5 -3.814 6.580 -6.040 1.00 54.23 C ATOM 83 CG LYS A 5 -5.170 6.194 -5.473 1.00 45.13 C ATOM 84 CD LYS A 5 -5.363 6.741 -4.069 1.00 23.11 C ATOM 85 CE LYS A 5 -5.894 5.674 -3.124 1.00 1.24 C ATOM 86 NZ LYS A 5 -6.879 6.232 -2.155 1.00 64.55 N ATOM 87 H LYS A 5 -3.681 3.807 -5.299 1.00 73.15 H ATOM 88 HA LYS A 5 -1.795 5.882 -6.179 1.00 75.35 H ATOM 89 HB2 LYS A 5 -3.583 7.583 -5.713 1.00 41.22 H ATOM 90 HB3 LYS A 5 -3.882 6.569 -7.119 1.00 15.33 H ATOM 91 HG2 LYS A 5 -5.944 6.592 -6.112 1.00 62.14 H ATOM 92 HG3 LYS A 5 -5.243 5.116 -5.444 1.00 12.24 H ATOM 93 HD2 LYS A 5 -4.413 7.096 -3.696 1.00 34.50 H ATOM 94 HD3 LYS A 5 -6.066 7.561 -4.105 1.00 34.42 H ATOM 95 HE2 LYS A 5 -6.372 4.902 -3.706 1.00 32.31 H ATOM 96 HE3 LYS A 5 -5.064 5.251 -2.577 1.00 11.11 H ATOM 97 HZ1 LYS A 5 -7.222 7.156 -2.486 1.00 64.34 H ATOM 98 HZ2 LYS A 5 -6.433 6.352 -1.223 1.00 55.22 H ATOM 99 HZ3 LYS A 5 -7.689 5.587 -2.059 1.00 41.01 H ATOM 100 N ARG A 6 -2.384 4.754 -3.373 1.00 23.21 N ATOM 101 CA ARG A 6 -2.110 4.811 -1.942 1.00 62.11 C ATOM 102 C ARG A 6 -1.167 5.965 -1.615 1.00 10.13 C ATOM 103 O ARG A 6 -1.454 6.786 -0.743 1.00 45.54 O ATOM 104 CB ARG A 6 -1.502 3.491 -1.465 1.00 31.35 C ATOM 105 CG ARG A 6 -1.847 3.147 -0.025 1.00 34.12 C ATOM 106 CD ARG A 6 -2.445 1.753 0.087 1.00 11.11 C ATOM 107 NE ARG A 6 -2.749 1.397 1.471 1.00 40.34 N ATOM 108 CZ ARG A 6 -3.380 0.282 1.821 1.00 0.20 C ATOM 109 NH1 ARG A 6 -3.771 -0.581 0.894 1.00 33.31 N ATOM 110 NH2 ARG A 6 -3.620 0.029 3.101 1.00 33.31 N ATOM 111 H ARG A 6 -2.577 3.887 -3.788 1.00 41.33 H ATOM 112 HA ARG A 6 -3.047 4.971 -1.431 1.00 12.21 H ATOM 113 HB2 ARG A 6 -1.861 2.693 -2.098 1.00 21.52 H ATOM 114 HB3 ARG A 6 -0.428 3.552 -1.550 1.00 23.54 H ATOM 115 HG2 ARG A 6 -0.948 3.190 0.571 1.00 21.55 H ATOM 116 HG3 ARG A 6 -2.562 3.867 0.346 1.00 61.32 H ATOM 117 HD2 ARG A 6 -3.356 1.719 -0.492 1.00 31.15 H ATOM 118 HD3 ARG A 6 -1.739 1.040 -0.311 1.00 42.35 H ATOM 119 HE ARG A 6 -2.469 2.021 2.172 1.00 43.33 H ATOM 120 HH11 ARG A 6 -3.591 -0.393 -0.071 1.00 63.31 H ATOM 121 HH12 ARG A 6 -4.245 -1.421 1.161 1.00 52.12 H ATOM 122 HH21 ARG A 6 -3.327 0.677 3.803 1.00 45.13 H ATOM 123 HH22 ARG A 6 -4.095 -0.811 3.364 1.00 52.42 H ATOM 124 N PHE A 7 -0.041 6.021 -2.318 1.00 72.55 N ATOM 125 CA PHE A 7 0.945 7.073 -2.102 1.00 32.12 C ATOM 126 C PHE A 7 1.215 7.839 -3.393 1.00 52.43 C ATOM 127 O PHE A 7 1.833 8.903 -3.379 1.00 65.32 O ATOM 128 CB PHE A 7 2.249 6.477 -1.567 1.00 53.00 C ATOM 129 CG PHE A 7 2.039 5.363 -0.581 1.00 50.24 C ATOM 130 CD1 PHE A 7 1.415 5.603 0.632 1.00 21.14 C ATOM 131 CD2 PHE A 7 2.465 4.077 -0.869 1.00 21.42 C ATOM 132 CE1 PHE A 7 1.222 4.580 1.541 1.00 34.13 C ATOM 133 CE2 PHE A 7 2.274 3.049 0.036 1.00 10.41 C ATOM 134 CZ PHE A 7 1.650 3.301 1.242 1.00 4.43 C ATOM 135 H PHE A 7 0.131 5.337 -3.000 1.00 31.34 H ATOM 136 HA PHE A 7 0.544 7.756 -1.369 1.00 72.20 H ATOM 137 HB2 PHE A 7 2.822 6.085 -2.393 1.00 63.41 H ATOM 138 HB3 PHE A 7 2.816 7.254 -1.077 1.00 21.54 H ATOM 139 HD1 PHE A 7 1.078 6.602 0.867 1.00 21.12 H ATOM 140 HD2 PHE A 7 2.953 3.878 -1.813 1.00 0.30 H ATOM 141 HE1 PHE A 7 0.734 4.779 2.484 1.00 55.44 H ATOM 142 HE2 PHE A 7 2.611 2.051 -0.201 1.00 55.12 H ATOM 143 HZ PHE A 7 1.501 2.501 1.951 1.00 73.41 H ATOM 144 N GLY A 8 0.746 7.290 -4.510 1.00 11.12 N ATOM 145 CA GLY A 8 0.947 7.934 -5.795 1.00 12.35 C ATOM 146 C GLY A 8 -0.348 8.445 -6.396 1.00 24.21 C ATOM 147 O GLY A 8 -0.358 9.460 -7.092 1.00 35.10 O ATOM 148 H GLY A 8 0.260 6.440 -4.461 1.00 14.55 H ATOM 149 HA2 GLY A 8 1.624 8.765 -5.666 1.00 44.23 H ATOM 150 HA3 GLY A 8 1.390 7.223 -6.476 1.00 24.24 H TER 151 GLY A 8 ENDMDL MODEL 4 ATOM 1 N GLY A 1 3.535 -0.118 -1.465 1.00 23.31 N ATOM 2 CA GLY A 1 2.085 -0.104 -1.421 1.00 72.43 C ATOM 3 C GLY A 1 1.483 0.850 -2.433 1.00 45.44 C ATOM 4 O GLY A 1 0.396 1.387 -2.220 1.00 44.24 O ATOM 5 H1 GLY A 1 4.032 -0.801 -0.967 1.00 0.35 H ATOM 6 HA2 GLY A 1 1.720 -1.101 -1.621 1.00 11.13 H ATOM 7 HA3 GLY A 1 1.769 0.193 -0.432 1.00 32.41 H ATOM 8 N TRP A 2 2.192 1.064 -3.536 1.00 71.22 N ATOM 9 CA TRP A 2 1.722 1.962 -4.585 1.00 12.35 C ATOM 10 C TRP A 2 0.891 1.207 -5.617 1.00 5.43 C ATOM 11 O TRP A 2 0.887 1.554 -6.798 1.00 73.42 O ATOM 12 CB TRP A 2 2.907 2.647 -5.267 1.00 40.02 C ATOM 13 CG TRP A 2 3.841 3.316 -4.305 1.00 25.21 C ATOM 14 CD1 TRP A 2 4.655 2.705 -3.394 1.00 20.11 C ATOM 15 CD2 TRP A 2 4.057 4.724 -4.158 1.00 33.45 C ATOM 16 NE1 TRP A 2 5.363 3.648 -2.689 1.00 0.21 N ATOM 17 CE2 TRP A 2 5.015 4.894 -3.139 1.00 13.10 C ATOM 18 CE3 TRP A 2 3.535 5.856 -4.788 1.00 1.30 C ATOM 19 CZ2 TRP A 2 5.459 6.151 -2.738 1.00 54.41 C ATOM 20 CZ3 TRP A 2 3.977 7.103 -4.389 1.00 15.53 C ATOM 21 CH2 TRP A 2 4.931 7.243 -3.372 1.00 50.13 C ATOM 22 H TRP A 2 3.052 0.606 -3.649 1.00 13.43 H ATOM 23 HA TRP A 2 1.101 2.715 -4.121 1.00 21.01 H ATOM 24 HB2 TRP A 2 3.470 1.911 -5.821 1.00 71.12 H ATOM 25 HB3 TRP A 2 2.535 3.398 -5.949 1.00 2.53 H ATOM 26 HD1 TRP A 2 4.720 1.636 -3.257 1.00 42.34 H ATOM 27 HE1 TRP A 2 6.013 3.459 -1.980 1.00 22.30 H ATOM 28 HE3 TRP A 2 2.799 5.769 -5.573 1.00 52.24 H ATOM 29 HZ2 TRP A 2 6.194 6.276 -1.957 1.00 22.53 H ATOM 30 HZ3 TRP A 2 3.584 7.991 -4.864 1.00 63.52 H ATOM 31 HH2 TRP A 2 5.246 8.236 -3.093 1.00 4.42 H ATOM 32 N LYS A 3 0.189 0.174 -5.164 1.00 4.32 N ATOM 33 CA LYS A 3 -0.647 -0.630 -6.048 1.00 4.54 C ATOM 34 C LYS A 3 -1.521 0.259 -6.926 1.00 40.24 C ATOM 35 O LYS A 3 -1.644 0.030 -8.130 1.00 21.54 O ATOM 36 CB LYS A 3 -1.525 -1.578 -5.229 1.00 14.01 C ATOM 37 CG LYS A 3 -2.259 -0.895 -4.088 1.00 3.24 C ATOM 38 CD LYS A 3 -2.096 -1.658 -2.784 1.00 20.21 C ATOM 39 CE LYS A 3 -2.772 -3.019 -2.847 1.00 31.31 C ATOM 40 NZ LYS A 3 -2.942 -3.618 -1.494 1.00 4.52 N ATOM 41 H LYS A 3 0.234 -0.053 -4.211 1.00 10.21 H ATOM 42 HA LYS A 3 0.005 -1.212 -6.681 1.00 33.51 H ATOM 43 HB2 LYS A 3 -2.258 -2.026 -5.884 1.00 15.54 H ATOM 44 HB3 LYS A 3 -0.903 -2.358 -4.813 1.00 41.54 H ATOM 45 HG2 LYS A 3 -1.861 0.101 -3.961 1.00 10.11 H ATOM 46 HG3 LYS A 3 -3.310 -0.836 -4.331 1.00 71.43 H ATOM 47 HD2 LYS A 3 -1.043 -1.801 -2.589 1.00 15.31 H ATOM 48 HD3 LYS A 3 -2.538 -1.083 -1.982 1.00 61.05 H ATOM 49 HE2 LYS A 3 -3.743 -2.904 -3.304 1.00 42.30 H ATOM 50 HE3 LYS A 3 -2.167 -3.680 -3.450 1.00 44.40 H ATOM 51 HZ1 LYS A 3 -3.844 -3.311 -1.078 1.00 2.34 H ATOM 52 HZ2 LYS A 3 -2.165 -3.317 -0.871 1.00 25.32 H ATOM 53 HZ3 LYS A 3 -2.937 -4.655 -1.559 1.00 20.32 H ATOM 54 N ARG A 4 -2.125 1.275 -6.318 1.00 21.41 N ATOM 55 CA ARG A 4 -2.987 2.198 -7.046 1.00 34.33 C ATOM 56 C ARG A 4 -2.524 3.639 -6.856 1.00 1.11 C ATOM 57 O ARG A 4 -1.722 4.153 -7.636 1.00 71.02 O ATOM 58 CB ARG A 4 -4.437 2.051 -6.578 1.00 44.04 C ATOM 59 CG ARG A 4 -4.569 1.513 -5.163 1.00 3.31 C ATOM 60 CD ARG A 4 -5.856 1.985 -4.506 1.00 35.13 C ATOM 61 NE ARG A 4 -6.485 0.930 -3.715 1.00 13.52 N ATOM 62 CZ ARG A 4 -7.673 1.057 -3.134 1.00 75.43 C ATOM 63 NH1 ARG A 4 -8.358 2.186 -3.256 1.00 60.41 N ATOM 64 NH2 ARG A 4 -8.179 0.052 -2.431 1.00 34.14 N ATOM 65 H ARG A 4 -1.988 1.406 -5.356 1.00 70.13 H ATOM 66 HA ARG A 4 -2.930 1.949 -8.095 1.00 23.34 H ATOM 67 HB2 ARG A 4 -4.915 3.018 -6.618 1.00 54.53 H ATOM 68 HB3 ARG A 4 -4.951 1.376 -7.246 1.00 43.20 H ATOM 69 HG2 ARG A 4 -4.569 0.434 -5.196 1.00 73.23 H ATOM 70 HG3 ARG A 4 -3.729 1.857 -4.578 1.00 1.14 H ATOM 71 HD2 ARG A 4 -5.630 2.820 -3.860 1.00 34.15 H ATOM 72 HD3 ARG A 4 -6.543 2.302 -5.277 1.00 3.14 H ATOM 73 HE ARG A 4 -5.997 0.088 -3.612 1.00 22.31 H ATOM 74 HH11 ARG A 4 -7.980 2.944 -3.787 1.00 24.13 H ATOM 75 HH12 ARG A 4 -9.253 2.278 -2.819 1.00 60.40 H ATOM 76 HH21 ARG A 4 -7.666 -0.801 -2.337 1.00 14.33 H ATOM 77 HH22 ARG A 4 -9.073 0.148 -1.994 1.00 74.21 H ATOM 78 N LYS A 5 -3.034 4.287 -5.814 1.00 73.21 N ATOM 79 CA LYS A 5 -2.673 5.669 -5.520 1.00 34.41 C ATOM 80 C LYS A 5 -2.345 5.842 -4.040 1.00 54.04 C ATOM 81 O LYS A 5 -2.103 6.956 -3.575 1.00 74.11 O ATOM 82 CB LYS A 5 -3.813 6.610 -5.914 1.00 55.22 C ATOM 83 CG LYS A 5 -5.159 6.214 -5.331 1.00 62.11 C ATOM 84 CD LYS A 5 -5.327 6.734 -3.914 1.00 12.45 C ATOM 85 CE LYS A 5 -5.843 5.650 -2.979 1.00 44.43 C ATOM 86 NZ LYS A 5 -6.819 6.188 -1.992 1.00 31.44 N ATOM 87 H LYS A 5 -3.669 3.823 -5.228 1.00 13.53 H ATOM 88 HA LYS A 5 -1.798 5.914 -6.102 1.00 22.24 H ATOM 89 HB2 LYS A 5 -3.576 7.607 -5.573 1.00 22.25 H ATOM 90 HB3 LYS A 5 -3.900 6.619 -6.991 1.00 53.43 H ATOM 91 HG2 LYS A 5 -5.944 6.624 -5.949 1.00 62.11 H ATOM 92 HG3 LYS A 5 -5.233 5.136 -5.320 1.00 64.32 H ATOM 93 HD2 LYS A 5 -4.371 7.082 -3.551 1.00 33.34 H ATOM 94 HD3 LYS A 5 -6.031 7.555 -3.922 1.00 21.12 H ATOM 95 HE2 LYS A 5 -6.324 4.885 -3.568 1.00 63.33 H ATOM 96 HE3 LYS A 5 -5.005 5.223 -2.449 1.00 23.14 H ATOM 97 HZ1 LYS A 5 -6.985 5.491 -1.238 1.00 35.30 H ATOM 98 HZ2 LYS A 5 -7.723 6.397 -2.461 1.00 52.33 H ATOM 99 HZ3 LYS A 5 -6.452 7.062 -1.566 1.00 0.23 H ATOM 100 N ARG A 6 -2.338 4.734 -3.307 1.00 22.13 N ATOM 101 CA ARG A 6 -2.039 4.764 -1.880 1.00 40.21 C ATOM 102 C ARG A 6 -1.090 5.912 -1.548 1.00 22.23 C ATOM 103 O ARG A 6 -1.360 6.717 -0.656 1.00 74.23 O ATOM 104 CB ARG A 6 -1.424 3.435 -1.438 1.00 0.12 C ATOM 105 CG ARG A 6 -1.784 3.041 -0.015 1.00 0.13 C ATOM 106 CD ARG A 6 -2.548 1.727 0.023 1.00 15.10 C ATOM 107 NE ARG A 6 -3.993 1.933 -0.035 1.00 32.55 N ATOM 108 CZ ARG A 6 -4.878 0.942 -0.014 1.00 62.32 C ATOM 109 NH1 ARG A 6 -4.467 -0.317 0.062 1.00 11.43 N ATOM 110 NH2 ARG A 6 -6.176 1.209 -0.070 1.00 74.20 N ATOM 111 H ARG A 6 -2.539 3.875 -3.735 1.00 3.43 H ATOM 112 HA ARG A 6 -2.967 4.915 -1.350 1.00 12.33 H ATOM 113 HB2 ARG A 6 -1.766 2.655 -2.101 1.00 74.44 H ATOM 114 HB3 ARG A 6 -0.349 3.509 -1.507 1.00 12.32 H ATOM 115 HG2 ARG A 6 -0.876 2.933 0.560 1.00 62.22 H ATOM 116 HG3 ARG A 6 -2.397 3.817 0.419 1.00 23.05 H ATOM 117 HD2 ARG A 6 -2.246 1.126 -0.821 1.00 73.33 H ATOM 118 HD3 ARG A 6 -2.304 1.210 0.939 1.00 43.12 H ATOM 119 HE ARG A 6 -4.319 2.855 -0.091 1.00 64.34 H ATOM 120 HH11 ARG A 6 -3.489 -0.521 0.106 1.00 53.35 H ATOM 121 HH12 ARG A 6 -5.135 -1.061 0.079 1.00 54.23 H ATOM 122 HH21 ARG A 6 -6.490 2.156 -0.128 1.00 3.24 H ATOM 123 HH22 ARG A 6 -6.841 0.463 -0.055 1.00 32.32 H ATOM 124 N PHE A 7 0.024 5.980 -2.270 1.00 14.00 N ATOM 125 CA PHE A 7 1.014 7.028 -2.051 1.00 71.20 C ATOM 126 C PHE A 7 1.262 7.818 -3.332 1.00 53.34 C ATOM 127 O PHE A 7 1.881 8.881 -3.309 1.00 63.13 O ATOM 128 CB PHE A 7 2.327 6.422 -1.550 1.00 74.44 C ATOM 129 CG PHE A 7 2.133 5.289 -0.583 1.00 4.44 C ATOM 130 CD1 PHE A 7 1.531 5.506 0.646 1.00 5.04 C ATOM 131 CD2 PHE A 7 2.554 4.008 -0.902 1.00 2.43 C ATOM 132 CE1 PHE A 7 1.352 4.466 1.539 1.00 12.22 C ATOM 133 CE2 PHE A 7 2.377 2.965 -0.013 1.00 72.33 C ATOM 134 CZ PHE A 7 1.776 3.194 1.209 1.00 0.11 C ATOM 135 H PHE A 7 0.183 5.309 -2.967 1.00 2.03 H ATOM 136 HA PHE A 7 0.626 7.697 -1.299 1.00 3.04 H ATOM 137 HB2 PHE A 7 2.886 6.045 -2.394 1.00 35.24 H ATOM 138 HB3 PHE A 7 2.903 7.189 -1.055 1.00 72.53 H ATOM 139 HD1 PHE A 7 1.199 6.502 0.906 1.00 63.42 H ATOM 140 HD2 PHE A 7 3.025 3.828 -1.857 1.00 22.52 H ATOM 141 HE1 PHE A 7 0.882 4.649 2.494 1.00 13.40 H ATOM 142 HE2 PHE A 7 2.710 1.971 -0.274 1.00 33.04 H ATOM 143 HZ PHE A 7 1.636 2.380 1.905 1.00 41.22 H ATOM 144 N GLY A 8 0.773 7.290 -4.451 1.00 11.24 N ATOM 145 CA GLY A 8 0.952 7.958 -5.726 1.00 53.24 C ATOM 146 C GLY A 8 -0.259 8.779 -6.126 1.00 24.12 C ATOM 147 O GLY A 8 -0.137 9.961 -6.448 1.00 64.51 O ATOM 148 H GLY A 8 0.287 6.440 -4.409 1.00 20.13 H ATOM 149 HA2 GLY A 8 1.810 8.610 -5.662 1.00 63.20 H ATOM 150 HA3 GLY A 8 1.134 7.213 -6.487 1.00 51.43 H TER 151 GLY A 8 ENDMDL MODEL 5 ATOM 1 N GLY A 1 3.147 -0.238 -1.330 1.00 21.15 N ATOM 2 CA GLY A 1 1.698 -0.211 -1.412 1.00 65.11 C ATOM 3 C GLY A 1 1.195 0.774 -2.448 1.00 1.40 C ATOM 4 O GLY A 1 0.101 1.323 -2.313 1.00 23.45 O ATOM 5 H1 GLY A 1 3.669 -0.650 -2.049 1.00 44.25 H ATOM 6 HA2 GLY A 1 1.345 -1.199 -1.668 1.00 50.30 H ATOM 7 HA3 GLY A 1 1.300 0.064 -0.447 1.00 15.22 H ATOM 8 N TRP A 2 1.995 1.001 -3.484 1.00 13.23 N ATOM 9 CA TRP A 2 1.624 1.929 -4.546 1.00 42.32 C ATOM 10 C TRP A 2 0.872 1.210 -5.660 1.00 61.51 C ATOM 11 O TRP A 2 0.969 1.581 -6.830 1.00 4.32 O ATOM 12 CB TRP A 2 2.870 2.611 -5.113 1.00 44.22 C ATOM 13 CG TRP A 2 3.731 3.245 -4.062 1.00 61.43 C ATOM 14 CD1 TRP A 2 4.459 2.602 -3.102 1.00 35.32 C ATOM 15 CD2 TRP A 2 3.952 4.645 -3.865 1.00 41.44 C ATOM 16 NE1 TRP A 2 5.118 3.519 -2.319 1.00 64.45 N ATOM 17 CE2 TRP A 2 4.825 4.779 -2.768 1.00 10.21 C ATOM 18 CE3 TRP A 2 3.499 5.799 -4.510 1.00 44.44 C ATOM 19 CZ2 TRP A 2 5.251 6.021 -2.303 1.00 70.41 C ATOM 20 CZ3 TRP A 2 3.923 7.031 -4.048 1.00 31.33 C ATOM 21 CH2 TRP A 2 4.792 7.134 -2.953 1.00 70.33 C ATOM 22 H TRP A 2 2.855 0.534 -3.536 1.00 33.42 H ATOM 23 HA TRP A 2 0.977 2.681 -4.118 1.00 22.31 H ATOM 24 HB2 TRP A 2 3.467 1.879 -5.636 1.00 44.12 H ATOM 25 HB3 TRP A 2 2.566 3.383 -5.805 1.00 72.14 H ATOM 26 HD1 TRP A 2 4.498 1.530 -2.985 1.00 21.51 H ATOM 27 HE1 TRP A 2 5.705 3.304 -1.564 1.00 63.11 H ATOM 28 HE3 TRP A 2 2.829 5.741 -5.355 1.00 63.55 H ATOM 29 HZ2 TRP A 2 5.921 6.116 -1.461 1.00 41.53 H ATOM 30 HZ3 TRP A 2 3.583 7.934 -4.533 1.00 60.23 H ATOM 31 HH2 TRP A 2 5.096 8.116 -2.626 1.00 64.21 H ATOM 32 N LYS A 3 0.122 0.177 -5.290 1.00 54.33 N ATOM 33 CA LYS A 3 -0.649 -0.594 -6.258 1.00 31.40 C ATOM 34 C LYS A 3 -1.436 0.326 -7.185 1.00 51.13 C ATOM 35 O LYS A 3 -1.462 0.125 -8.400 1.00 31.45 O ATOM 36 CB LYS A 3 -1.605 -1.547 -5.536 1.00 61.13 C ATOM 37 CG LYS A 3 -2.421 -0.878 -4.444 1.00 1.12 C ATOM 38 CD LYS A 3 -2.377 -1.672 -3.149 1.00 63.01 C ATOM 39 CE LYS A 3 -3.599 -1.400 -2.286 1.00 53.42 C ATOM 40 NZ LYS A 3 -4.249 -2.660 -1.832 1.00 13.04 N ATOM 41 H LYS A 3 0.084 -0.071 -4.342 1.00 63.14 H ATOM 42 HA LYS A 3 0.045 -1.173 -6.849 1.00 34.23 H ATOM 43 HB2 LYS A 3 -2.287 -1.969 -6.259 1.00 74.22 H ATOM 44 HB3 LYS A 3 -1.029 -2.345 -5.089 1.00 53.20 H ATOM 45 HG2 LYS A 3 -2.022 0.109 -4.262 1.00 23.21 H ATOM 46 HG3 LYS A 3 -3.448 -0.798 -4.772 1.00 24.12 H ATOM 47 HD2 LYS A 3 -2.344 -2.726 -3.384 1.00 5.42 H ATOM 48 HD3 LYS A 3 -1.489 -1.396 -2.598 1.00 2.02 H ATOM 49 HE2 LYS A 3 -3.294 -0.830 -1.422 1.00 20.11 H ATOM 50 HE3 LYS A 3 -4.310 -0.826 -2.863 1.00 3.33 H ATOM 51 HZ1 LYS A 3 -3.529 -3.384 -1.639 1.00 22.53 H ATOM 52 HZ2 LYS A 3 -4.894 -3.014 -2.567 1.00 31.32 H ATOM 53 HZ3 LYS A 3 -4.794 -2.488 -0.963 1.00 0.23 H ATOM 54 N ARG A 4 -2.075 1.337 -6.606 1.00 1.15 N ATOM 55 CA ARG A 4 -2.862 2.289 -7.381 1.00 30.55 C ATOM 56 C ARG A 4 -2.397 3.718 -7.120 1.00 41.33 C ATOM 57 O ARG A 4 -1.527 4.237 -7.820 1.00 63.01 O ATOM 58 CB ARG A 4 -4.347 2.153 -7.038 1.00 2.53 C ATOM 59 CG ARG A 4 -4.602 1.587 -5.651 1.00 35.04 C ATOM 60 CD ARG A 4 -5.934 2.063 -5.091 1.00 41.12 C ATOM 61 NE ARG A 4 -6.382 1.241 -3.971 1.00 33.33 N ATOM 62 CZ ARG A 4 -7.401 1.565 -3.182 1.00 52.15 C ATOM 63 NH1 ARG A 4 -8.074 2.688 -3.391 1.00 42.44 N ATOM 64 NH2 ARG A 4 -7.749 0.765 -2.183 1.00 33.20 N ATOM 65 H ARG A 4 -2.016 1.445 -5.633 1.00 53.42 H ATOM 66 HA ARG A 4 -2.721 2.062 -8.427 1.00 31.54 H ATOM 67 HB2 ARG A 4 -4.808 3.129 -7.095 1.00 22.34 H ATOM 68 HB3 ARG A 4 -4.813 1.501 -7.761 1.00 3.23 H ATOM 69 HG2 ARG A 4 -4.614 0.509 -5.709 1.00 32.42 H ATOM 70 HG3 ARG A 4 -3.810 1.905 -4.990 1.00 44.44 H ATOM 71 HD2 ARG A 4 -5.824 3.083 -4.755 1.00 1.21 H ATOM 72 HD3 ARG A 4 -6.674 2.021 -5.876 1.00 33.11 H ATOM 73 HE ARG A 4 -5.899 0.406 -3.798 1.00 53.23 H ATOM 74 HH11 ARG A 4 -7.814 3.293 -4.144 1.00 74.24 H ATOM 75 HH12 ARG A 4 -8.841 2.930 -2.797 1.00 74.31 H ATOM 76 HH21 ARG A 4 -7.245 -0.083 -2.023 1.00 3.05 H ATOM 77 HH22 ARG A 4 -8.516 1.010 -1.590 1.00 61.24 H ATOM 78 N LYS A 5 -2.983 4.351 -6.109 1.00 71.15 N ATOM 79 CA LYS A 5 -2.630 5.720 -5.755 1.00 45.30 C ATOM 80 C LYS A 5 -2.422 5.857 -4.250 1.00 35.40 C ATOM 81 O LYS A 5 -2.205 6.956 -3.741 1.00 51.30 O ATOM 82 CB LYS A 5 -3.721 6.687 -6.220 1.00 43.21 C ATOM 83 CG LYS A 5 -5.115 6.299 -5.759 1.00 23.43 C ATOM 84 CD LYS A 5 -5.393 6.791 -4.348 1.00 64.32 C ATOM 85 CE LYS A 5 -5.997 5.694 -3.484 1.00 53.45 C ATOM 86 NZ LYS A 5 -7.046 6.224 -2.570 1.00 14.11 N ATOM 87 H LYS A 5 -3.670 3.884 -5.588 1.00 53.40 H ATOM 88 HA LYS A 5 -1.706 5.965 -6.257 1.00 62.00 H ATOM 89 HB2 LYS A 5 -3.499 7.672 -5.837 1.00 40.53 H ATOM 90 HB3 LYS A 5 -3.718 6.721 -7.300 1.00 53.22 H ATOM 91 HG2 LYS A 5 -5.841 6.734 -6.430 1.00 24.45 H ATOM 92 HG3 LYS A 5 -5.203 5.222 -5.779 1.00 33.44 H ATOM 93 HD2 LYS A 5 -4.465 7.116 -3.900 1.00 74.32 H ATOM 94 HD3 LYS A 5 -6.082 7.622 -4.395 1.00 74.55 H ATOM 95 HE2 LYS A 5 -6.437 4.948 -4.128 1.00 43.14 H ATOM 96 HE3 LYS A 5 -5.212 5.244 -2.895 1.00 40.24 H ATOM 97 HZ1 LYS A 5 -7.660 5.451 -2.243 1.00 61.44 H ATOM 98 HZ2 LYS A 5 -7.629 6.929 -3.065 1.00 50.24 H ATOM 99 HZ3 LYS A 5 -6.605 6.675 -1.743 1.00 53.13 H ATOM 100 N ARG A 6 -2.490 4.733 -3.544 1.00 30.22 N ATOM 101 CA ARG A 6 -2.310 4.728 -2.097 1.00 64.41 C ATOM 102 C ARG A 6 -1.376 5.853 -1.662 1.00 12.45 C ATOM 103 O ARG A 6 -1.709 6.643 -0.777 1.00 70.14 O ATOM 104 CB ARG A 6 -1.751 3.380 -1.636 1.00 45.23 C ATOM 105 CG ARG A 6 -2.224 2.965 -0.253 1.00 53.20 C ATOM 106 CD ARG A 6 -2.089 1.465 -0.045 1.00 35.11 C ATOM 107 NE ARG A 6 -2.862 1.000 1.104 1.00 3.13 N ATOM 108 CZ ARG A 6 -2.643 -0.158 1.717 1.00 61.01 C ATOM 109 NH1 ARG A 6 -1.680 -0.965 1.293 1.00 42.42 N ATOM 110 NH2 ARG A 6 -3.388 -0.511 2.757 1.00 60.25 N ATOM 111 H ARG A 6 -2.666 3.887 -4.006 1.00 72.14 H ATOM 112 HA ARG A 6 -3.276 4.881 -1.641 1.00 73.05 H ATOM 113 HB2 ARG A 6 -2.053 2.618 -2.340 1.00 11.43 H ATOM 114 HB3 ARG A 6 -0.673 3.438 -1.622 1.00 24.43 H ATOM 115 HG2 ARG A 6 -1.629 3.475 0.490 1.00 45.24 H ATOM 116 HG3 ARG A 6 -3.261 3.244 -0.139 1.00 52.23 H ATOM 117 HD2 ARG A 6 -2.442 0.959 -0.931 1.00 63.24 H ATOM 118 HD3 ARG A 6 -1.048 1.229 0.114 1.00 42.42 H ATOM 119 HE ARG A 6 -3.578 1.581 1.434 1.00 34.42 H ATOM 120 HH11 ARG A 6 -1.116 -0.701 0.510 1.00 12.53 H ATOM 121 HH12 ARG A 6 -1.516 -1.836 1.757 1.00 53.43 H ATOM 122 HH21 ARG A 6 -4.115 0.094 3.079 1.00 2.32 H ATOM 123 HH22 ARG A 6 -3.223 -1.383 3.217 1.00 43.13 H ATOM 124 N PHE A 7 -0.206 5.921 -2.288 1.00 31.41 N ATOM 125 CA PHE A 7 0.776 6.948 -1.964 1.00 44.43 C ATOM 126 C PHE A 7 1.140 7.763 -3.203 1.00 32.44 C ATOM 127 O PHE A 7 1.769 8.815 -3.104 1.00 41.13 O ATOM 128 CB PHE A 7 2.035 6.312 -1.371 1.00 41.01 C ATOM 129 CG PHE A 7 1.748 5.162 -0.449 1.00 33.03 C ATOM 130 CD1 PHE A 7 1.049 5.361 0.731 1.00 23.22 C ATOM 131 CD2 PHE A 7 2.177 3.882 -0.761 1.00 54.15 C ATOM 132 CE1 PHE A 7 0.783 4.305 1.582 1.00 32.41 C ATOM 133 CE2 PHE A 7 1.913 2.822 0.085 1.00 13.12 C ATOM 134 CZ PHE A 7 1.216 3.034 1.259 1.00 60.20 C ATOM 135 H PHE A 7 0.002 5.262 -2.984 1.00 51.42 H ATOM 136 HA PHE A 7 0.337 7.607 -1.231 1.00 73.03 H ATOM 137 HB2 PHE A 7 2.657 5.945 -2.174 1.00 0.32 H ATOM 138 HB3 PHE A 7 2.578 7.059 -0.813 1.00 4.33 H ATOM 139 HD1 PHE A 7 0.710 6.355 0.985 1.00 10.41 H ATOM 140 HD2 PHE A 7 2.722 3.715 -1.678 1.00 64.04 H ATOM 141 HE1 PHE A 7 0.238 4.474 2.499 1.00 72.01 H ATOM 142 HE2 PHE A 7 2.253 1.829 -0.170 1.00 12.44 H ATOM 143 HZ PHE A 7 1.008 2.207 1.922 1.00 43.22 H ATOM 144 N GLY A 8 0.738 7.266 -4.369 1.00 3.11 N ATOM 145 CA GLY A 8 1.031 7.959 -5.610 1.00 72.22 C ATOM 146 C GLY A 8 -0.192 8.632 -6.200 1.00 52.43 C ATOM 147 O GLY A 8 -0.494 8.461 -7.381 1.00 73.12 O ATOM 148 H GLY A 8 0.240 6.422 -4.387 1.00 14.54 H ATOM 149 HA2 GLY A 8 1.786 8.707 -5.423 1.00 1.44 H ATOM 150 HA3 GLY A 8 1.415 7.246 -6.325 1.00 73.21 H TER 151 GLY A 8 ENDMDL MODEL 6 ATOM 1 N GLY A 1 1.705 -0.365 -0.292 1.00 63.41 N ATOM 2 CA GLY A 1 2.389 -0.172 -1.557 1.00 45.42 C ATOM 3 C GLY A 1 1.674 0.815 -2.458 1.00 51.21 C ATOM 4 O GLY A 1 0.625 1.349 -2.096 1.00 5.01 O ATOM 5 H1 GLY A 1 1.654 -1.261 0.103 1.00 60.01 H ATOM 6 HA2 GLY A 1 3.387 0.192 -1.362 1.00 41.53 H ATOM 7 HA3 GLY A 1 2.457 -1.122 -2.066 1.00 30.10 H ATOM 8 N TRP A 2 2.241 1.059 -3.634 1.00 4.44 N ATOM 9 CA TRP A 2 1.651 1.991 -4.588 1.00 61.34 C ATOM 10 C TRP A 2 0.727 1.263 -5.559 1.00 24.02 C ATOM 11 O TRP A 2 0.622 1.634 -6.728 1.00 63.42 O ATOM 12 CB TRP A 2 2.748 2.724 -5.362 1.00 23.11 C ATOM 13 CG TRP A 2 3.782 3.350 -4.476 1.00 44.31 C ATOM 14 CD1 TRP A 2 4.641 2.703 -3.634 1.00 42.03 C ATOM 15 CD2 TRP A 2 4.064 4.748 -4.343 1.00 63.34 C ATOM 16 NE1 TRP A 2 5.440 3.614 -2.986 1.00 40.02 N ATOM 17 CE2 TRP A 2 5.107 4.875 -3.404 1.00 55.03 C ATOM 18 CE3 TRP A 2 3.539 5.903 -4.928 1.00 4.43 C ATOM 19 CZ2 TRP A 2 5.631 6.112 -3.038 1.00 35.34 C ATOM 20 CZ3 TRP A 2 4.060 7.130 -4.562 1.00 43.14 C ATOM 21 CH2 TRP A 2 5.098 7.227 -3.625 1.00 74.33 C ATOM 22 H TRP A 2 3.077 0.603 -3.866 1.00 24.24 H ATOM 23 HA TRP A 2 1.072 2.713 -4.031 1.00 63.43 H ATOM 24 HB2 TRP A 2 3.248 2.025 -6.015 1.00 64.31 H ATOM 25 HB3 TRP A 2 2.298 3.507 -5.955 1.00 62.43 H ATOM 26 HD1 TRP A 2 4.675 1.632 -3.506 1.00 34.03 H ATOM 27 HE1 TRP A 2 6.137 3.395 -2.332 1.00 13.41 H ATOM 28 HE3 TRP A 2 2.740 5.849 -5.652 1.00 11.41 H ATOM 29 HZ2 TRP A 2 6.430 6.203 -2.317 1.00 65.33 H ATOM 30 HZ3 TRP A 2 3.667 8.034 -5.003 1.00 51.41 H ATOM 31 HH2 TRP A 2 5.474 8.205 -3.370 1.00 15.32 H ATOM 32 N LYS A 3 0.059 0.225 -5.067 1.00 51.31 N ATOM 33 CA LYS A 3 -0.858 -0.554 -5.890 1.00 60.42 C ATOM 34 C LYS A 3 -1.774 0.359 -6.698 1.00 72.24 C ATOM 35 O LYS A 3 -1.994 0.136 -7.889 1.00 53.51 O ATOM 36 CB LYS A 3 -1.695 -1.488 -5.013 1.00 54.20 C ATOM 37 CG LYS A 3 -2.208 -0.831 -3.743 1.00 74.30 C ATOM 38 CD LYS A 3 -3.127 -1.760 -2.967 1.00 71.11 C ATOM 39 CE LYS A 3 -2.405 -3.029 -2.540 1.00 11.25 C ATOM 40 NZ LYS A 3 -3.211 -3.827 -1.574 1.00 44.31 N ATOM 41 H LYS A 3 0.185 -0.022 -4.126 1.00 53.25 H ATOM 42 HA LYS A 3 -0.268 -1.148 -6.572 1.00 54.14 H ATOM 43 HB2 LYS A 3 -2.545 -1.833 -5.584 1.00 1.42 H ATOM 44 HB3 LYS A 3 -1.091 -2.339 -4.734 1.00 44.22 H ATOM 45 HG2 LYS A 3 -1.367 -0.570 -3.118 1.00 72.23 H ATOM 46 HG3 LYS A 3 -2.755 0.063 -4.007 1.00 2.24 H ATOM 47 HD2 LYS A 3 -3.482 -1.247 -2.086 1.00 34.44 H ATOM 48 HD3 LYS A 3 -3.967 -2.028 -3.593 1.00 44.42 H ATOM 49 HE2 LYS A 3 -2.210 -3.629 -3.415 1.00 13.10 H ATOM 50 HE3 LYS A 3 -1.469 -2.755 -2.075 1.00 72.31 H ATOM 51 HZ1 LYS A 3 -2.583 -4.328 -0.913 1.00 52.04 H ATOM 52 HZ2 LYS A 3 -3.789 -4.525 -2.083 1.00 54.14 H ATOM 53 HZ3 LYS A 3 -3.840 -3.202 -1.031 1.00 41.34 H ATOM 54 N ARG A 4 -2.304 1.387 -6.044 1.00 74.10 N ATOM 55 CA ARG A 4 -3.196 2.334 -6.702 1.00 74.44 C ATOM 56 C ARG A 4 -2.682 3.762 -6.549 1.00 51.12 C ATOM 57 O ARG A 4 -1.923 4.254 -7.385 1.00 74.41 O ATOM 58 CB ARG A 4 -4.608 2.224 -6.124 1.00 33.22 C ATOM 59 CG ARG A 4 -4.644 1.689 -4.701 1.00 43.34 C ATOM 60 CD ARG A 4 -5.899 2.137 -3.969 1.00 60.01 C ATOM 61 NE ARG A 4 -6.632 1.009 -3.400 1.00 1.54 N ATOM 62 CZ ARG A 4 -7.429 0.218 -4.108 1.00 55.13 C ATOM 63 NH1 ARG A 4 -7.596 0.430 -5.407 1.00 25.35 N ATOM 64 NH2 ARG A 4 -8.062 -0.788 -3.518 1.00 54.13 N ATOM 65 H ARG A 4 -2.091 1.511 -5.096 1.00 13.55 H ATOM 66 HA ARG A 4 -3.227 2.085 -7.753 1.00 10.43 H ATOM 67 HB2 ARG A 4 -5.064 3.203 -6.128 1.00 40.12 H ATOM 68 HB3 ARG A 4 -5.190 1.562 -6.748 1.00 45.44 H ATOM 69 HG2 ARG A 4 -4.624 0.610 -4.732 1.00 22.24 H ATOM 70 HG3 ARG A 4 -3.777 2.053 -4.169 1.00 35.42 H ATOM 71 HD2 ARG A 4 -5.615 2.808 -3.173 1.00 1.44 H ATOM 72 HD3 ARG A 4 -6.540 2.656 -4.666 1.00 2.21 H ATOM 73 HE ARG A 4 -6.524 0.835 -2.442 1.00 3.02 H ATOM 74 HH11 ARG A 4 -7.119 1.186 -5.854 1.00 11.31 H ATOM 75 HH12 ARG A 4 -8.196 -0.169 -5.938 1.00 43.51 H ATOM 76 HH21 ARG A 4 -7.940 -0.951 -2.540 1.00 5.32 H ATOM 77 HH22 ARG A 4 -8.662 -1.383 -4.052 1.00 54.23 H ATOM 78 N LYS A 5 -3.101 4.424 -5.476 1.00 5.02 N ATOM 79 CA LYS A 5 -2.683 5.796 -5.211 1.00 63.31 C ATOM 80 C LYS A 5 -2.240 5.959 -3.761 1.00 2.23 C ATOM 81 O LYS A 5 -1.941 7.067 -3.314 1.00 61.13 O ATOM 82 CB LYS A 5 -3.825 6.767 -5.519 1.00 65.14 C ATOM 83 CG LYS A 5 -5.133 6.403 -4.838 1.00 43.55 C ATOM 84 CD LYS A 5 -5.181 6.923 -3.411 1.00 74.52 C ATOM 85 CE LYS A 5 -5.649 5.847 -2.443 1.00 21.14 C ATOM 86 NZ LYS A 5 -6.530 6.403 -1.379 1.00 2.53 N ATOM 87 H LYS A 5 -3.705 3.978 -4.845 1.00 51.42 H ATOM 88 HA LYS A 5 -1.847 6.019 -5.857 1.00 74.44 H ATOM 89 HB2 LYS A 5 -3.537 7.756 -5.196 1.00 1.35 H ATOM 90 HB3 LYS A 5 -3.991 6.781 -6.587 1.00 44.00 H ATOM 91 HG2 LYS A 5 -5.950 6.836 -5.395 1.00 55.24 H ATOM 92 HG3 LYS A 5 -5.234 5.327 -4.824 1.00 42.53 H ATOM 93 HD2 LYS A 5 -4.193 7.247 -3.121 1.00 52.01 H ATOM 94 HD3 LYS A 5 -5.865 7.759 -3.365 1.00 20.44 H ATOM 95 HE2 LYS A 5 -6.195 5.097 -2.994 1.00 62.11 H ATOM 96 HE3 LYS A 5 -4.783 5.395 -1.982 1.00 2.44 H ATOM 97 HZ1 LYS A 5 -7.456 6.657 -1.778 1.00 30.24 H ATOM 98 HZ2 LYS A 5 -6.097 7.255 -0.966 1.00 71.31 H ATOM 99 HZ3 LYS A 5 -6.669 5.700 -0.626 1.00 31.11 H ATOM 100 N ARG A 6 -2.198 4.849 -3.031 1.00 15.54 N ATOM 101 CA ARG A 6 -1.791 4.871 -1.631 1.00 35.52 C ATOM 102 C ARG A 6 -0.807 6.006 -1.368 1.00 43.10 C ATOM 103 O ARG A 6 -1.004 6.815 -0.461 1.00 43.32 O ATOM 104 CB ARG A 6 -1.160 3.533 -1.241 1.00 63.11 C ATOM 105 CG ARG A 6 -2.037 2.331 -1.553 1.00 44.31 C ATOM 106 CD ARG A 6 -3.407 2.458 -0.905 1.00 45.12 C ATOM 107 NE ARG A 6 -3.904 1.173 -0.422 1.00 15.01 N ATOM 108 CZ ARG A 6 -5.118 1.001 0.090 1.00 72.54 C ATOM 109 NH1 ARG A 6 -5.954 2.026 0.183 1.00 24.24 N ATOM 110 NH2 ARG A 6 -5.499 -0.200 0.508 1.00 43.20 N ATOM 111 H ARG A 6 -2.448 3.996 -3.443 1.00 14.12 H ATOM 112 HA ARG A 6 -2.675 5.030 -1.031 1.00 22.23 H ATOM 113 HB2 ARG A 6 -0.228 3.419 -1.775 1.00 62.21 H ATOM 114 HB3 ARG A 6 -0.959 3.539 -0.180 1.00 51.04 H ATOM 115 HG2 ARG A 6 -2.162 2.257 -2.623 1.00 55.33 H ATOM 116 HG3 ARG A 6 -1.554 1.439 -1.183 1.00 3.42 H ATOM 117 HD2 ARG A 6 -3.334 3.141 -0.072 1.00 53.43 H ATOM 118 HD3 ARG A 6 -4.099 2.851 -1.634 1.00 54.31 H ATOM 119 HE ARG A 6 -3.304 0.402 -0.482 1.00 25.21 H ATOM 120 HH11 ARG A 6 -5.670 2.931 -0.132 1.00 41.20 H ATOM 121 HH12 ARG A 6 -6.867 1.893 0.568 1.00 74.01 H ATOM 122 HH21 ARG A 6 -4.872 -0.975 0.439 1.00 62.24 H ATOM 123 HH22 ARG A 6 -6.412 -0.329 0.893 1.00 51.42 H ATOM 124 N PHE A 7 0.254 6.059 -2.167 1.00 12.40 N ATOM 125 CA PHE A 7 1.270 7.095 -2.020 1.00 64.40 C ATOM 126 C PHE A 7 1.443 7.876 -3.319 1.00 54.12 C ATOM 127 O PHE A 7 2.077 8.930 -3.343 1.00 53.11 O ATOM 128 CB PHE A 7 2.605 6.473 -1.605 1.00 24.21 C ATOM 129 CG PHE A 7 2.462 5.345 -0.623 1.00 41.21 C ATOM 130 CD1 PHE A 7 2.098 5.595 0.690 1.00 34.22 C ATOM 131 CD2 PHE A 7 2.691 4.036 -1.014 1.00 21.34 C ATOM 132 CE1 PHE A 7 1.966 4.559 1.596 1.00 52.03 C ATOM 133 CE2 PHE A 7 2.560 2.996 -0.113 1.00 24.35 C ATOM 134 CZ PHE A 7 2.196 3.258 1.194 1.00 62.14 C ATOM 135 H PHE A 7 0.355 5.386 -2.872 1.00 65.20 H ATOM 136 HA PHE A 7 0.943 7.772 -1.247 1.00 12.30 H ATOM 137 HB2 PHE A 7 3.103 6.087 -2.482 1.00 11.10 H ATOM 138 HB3 PHE A 7 3.223 7.233 -1.151 1.00 54.41 H ATOM 139 HD1 PHE A 7 1.916 6.612 1.006 1.00 71.40 H ATOM 140 HD2 PHE A 7 2.976 3.830 -2.036 1.00 30.41 H ATOM 141 HE1 PHE A 7 1.681 4.767 2.616 1.00 34.53 H ATOM 142 HE2 PHE A 7 2.741 1.980 -0.431 1.00 24.35 H ATOM 143 HZ PHE A 7 2.094 2.447 1.899 1.00 2.03 H ATOM 144 N GLY A 8 0.873 7.350 -4.399 1.00 51.14 N ATOM 145 CA GLY A 8 0.975 8.010 -5.688 1.00 11.12 C ATOM 146 C GLY A 8 -0.318 8.687 -6.096 1.00 74.05 C ATOM 147 O GLY A 8 -0.936 8.310 -7.092 1.00 53.01 O ATOM 148 H GLY A 8 0.379 6.507 -4.321 1.00 24.23 H ATOM 149 HA2 GLY A 8 1.758 8.752 -5.639 1.00 13.21 H ATOM 150 HA3 GLY A 8 1.235 7.276 -6.436 1.00 21.30 H TER 151 GLY A 8 ENDMDL MODEL 7 ATOM 1 N GLY A 1 1.273 -0.495 -0.309 1.00 45.34 N ATOM 2 CA GLY A 1 2.061 -0.284 -1.510 1.00 2.31 C ATOM 3 C GLY A 1 1.417 0.707 -2.459 1.00 60.13 C ATOM 4 O GLY A 1 0.339 1.232 -2.181 1.00 41.31 O ATOM 5 H1 GLY A 1 0.727 -1.304 -0.220 1.00 41.41 H ATOM 6 HA2 GLY A 1 3.036 0.085 -1.228 1.00 12.55 H ATOM 7 HA3 GLY A 1 2.179 -1.229 -2.020 1.00 1.42 H ATOM 8 N TRP A 2 2.079 0.964 -3.582 1.00 33.23 N ATOM 9 CA TRP A 2 1.564 1.900 -4.575 1.00 2.12 C ATOM 10 C TRP A 2 0.730 1.175 -5.625 1.00 51.42 C ATOM 11 O TRP A 2 0.719 1.557 -6.796 1.00 12.13 O ATOM 12 CB TRP A 2 2.717 2.647 -5.247 1.00 63.45 C ATOM 13 CG TRP A 2 3.670 3.270 -4.273 1.00 25.41 C ATOM 14 CD1 TRP A 2 4.460 2.619 -3.369 1.00 22.43 C ATOM 15 CD2 TRP A 2 3.932 4.667 -4.104 1.00 40.12 C ATOM 16 NE1 TRP A 2 5.197 3.527 -2.648 1.00 10.31 N ATOM 17 CE2 TRP A 2 4.892 4.791 -3.081 1.00 31.44 C ATOM 18 CE3 TRP A 2 3.451 5.826 -4.719 1.00 74.24 C ATOM 19 CZ2 TRP A 2 5.376 6.026 -2.660 1.00 42.40 C ATOM 20 CZ3 TRP A 2 3.932 7.051 -4.301 1.00 1.54 C ATOM 21 CH2 TRP A 2 4.887 7.144 -3.280 1.00 3.34 C ATOM 22 H TRP A 2 2.934 0.513 -3.747 1.00 54.50 H ATOM 23 HA TRP A 2 0.936 2.614 -4.062 1.00 71.51 H ATOM 24 HB2 TRP A 2 3.274 1.956 -5.863 1.00 42.54 H ATOM 25 HB3 TRP A 2 2.313 3.433 -5.869 1.00 23.21 H ATOM 26 HD1 TRP A 2 4.489 1.547 -3.248 1.00 22.53 H ATOM 27 HE1 TRP A 2 5.838 3.306 -1.940 1.00 62.11 H ATOM 28 HE3 TRP A 2 2.714 5.775 -5.508 1.00 64.30 H ATOM 29 HZ2 TRP A 2 6.113 6.114 -1.875 1.00 10.41 H ATOM 30 HZ3 TRP A 2 3.571 7.958 -4.764 1.00 62.01 H ATOM 31 HH2 TRP A 2 5.235 8.122 -2.985 1.00 11.34 H ATOM 32 N LYS A 3 0.031 0.128 -5.200 1.00 64.04 N ATOM 33 CA LYS A 3 -0.808 -0.650 -6.104 1.00 21.01 C ATOM 34 C LYS A 3 -1.669 0.264 -6.969 1.00 51.43 C ATOM 35 O LYS A 3 -1.801 0.050 -8.174 1.00 53.24 O ATOM 36 CB LYS A 3 -1.700 -1.606 -5.308 1.00 41.25 C ATOM 37 CG LYS A 3 -2.309 -0.978 -4.067 1.00 54.31 C ATOM 38 CD LYS A 3 -1.801 -1.642 -2.799 1.00 22.12 C ATOM 39 CE LYS A 3 -2.459 -2.995 -2.576 1.00 14.25 C ATOM 40 NZ LYS A 3 -2.157 -3.543 -1.224 1.00 53.51 N ATOM 41 H LYS A 3 0.081 -0.128 -4.255 1.00 11.31 H ATOM 42 HA LYS A 3 -0.159 -1.227 -6.746 1.00 0.45 H ATOM 43 HB2 LYS A 3 -2.503 -1.945 -5.946 1.00 42.34 H ATOM 44 HB3 LYS A 3 -1.111 -2.458 -5.003 1.00 25.35 H ATOM 45 HG2 LYS A 3 -2.050 0.070 -4.040 1.00 51.24 H ATOM 46 HG3 LYS A 3 -3.384 -1.084 -4.112 1.00 51.51 H ATOM 47 HD2 LYS A 3 -0.733 -1.783 -2.880 1.00 32.42 H ATOM 48 HD3 LYS A 3 -2.018 -1.002 -1.955 1.00 50.14 H ATOM 49 HE2 LYS A 3 -3.528 -2.882 -2.678 1.00 43.30 H ATOM 50 HE3 LYS A 3 -2.097 -3.685 -3.324 1.00 12.44 H ATOM 51 HZ1 LYS A 3 -2.725 -4.396 -1.049 1.00 63.22 H ATOM 52 HZ2 LYS A 3 -2.380 -2.835 -0.494 1.00 61.45 H ATOM 53 HZ3 LYS A 3 -1.149 -3.789 -1.156 1.00 14.14 H ATOM 54 N ARG A 4 -2.251 1.284 -6.347 1.00 54.22 N ATOM 55 CA ARG A 4 -3.100 2.231 -7.061 1.00 45.12 C ATOM 56 C ARG A 4 -2.610 3.662 -6.856 1.00 63.40 C ATOM 57 O ARG A 4 -1.791 4.165 -7.625 1.00 5.31 O ATOM 58 CB ARG A 4 -4.550 2.105 -6.591 1.00 23.23 C ATOM 59 CG ARG A 4 -4.687 1.552 -5.182 1.00 21.14 C ATOM 60 CD ARG A 4 -5.979 2.013 -4.526 1.00 32.23 C ATOM 61 NE ARG A 4 -7.145 1.322 -5.069 1.00 75.12 N ATOM 62 CZ ARG A 4 -8.370 1.441 -4.568 1.00 40.43 C ATOM 63 NH1 ARG A 4 -8.587 2.221 -3.518 1.00 50.32 N ATOM 64 NH2 ARG A 4 -9.381 0.780 -5.118 1.00 45.53 N ATOM 65 H ARG A 4 -2.108 1.402 -5.385 1.00 11.41 H ATOM 66 HA ARG A 4 -3.050 1.993 -8.113 1.00 43.42 H ATOM 67 HB2 ARG A 4 -5.011 3.081 -6.617 1.00 1.21 H ATOM 68 HB3 ARG A 4 -5.078 1.448 -7.265 1.00 31.21 H ATOM 69 HG2 ARG A 4 -4.684 0.473 -5.226 1.00 71.23 H ATOM 70 HG3 ARG A 4 -3.851 1.892 -4.589 1.00 20.03 H ATOM 71 HD2 ARG A 4 -5.919 1.817 -3.466 1.00 1.45 H ATOM 72 HD3 ARG A 4 -6.092 3.074 -4.690 1.00 62.01 H ATOM 73 HE ARG A 4 -7.008 0.740 -5.845 1.00 43.43 H ATOM 74 HH11 ARG A 4 -7.828 2.721 -3.102 1.00 44.34 H ATOM 75 HH12 ARG A 4 -9.510 2.311 -3.144 1.00 33.43 H ATOM 76 HH21 ARG A 4 -9.221 0.192 -5.910 1.00 62.21 H ATOM 77 HH22 ARG A 4 -10.301 0.871 -4.741 1.00 35.14 H ATOM 78 N LYS A 5 -3.117 4.312 -5.814 1.00 72.52 N ATOM 79 CA LYS A 5 -2.732 5.684 -5.506 1.00 70.32 C ATOM 80 C LYS A 5 -2.409 5.838 -4.023 1.00 54.44 C ATOM 81 O LYS A 5 -2.155 6.944 -3.546 1.00 41.31 O ATOM 82 CB LYS A 5 -3.852 6.650 -5.899 1.00 21.11 C ATOM 83 CG LYS A 5 -5.208 6.273 -5.329 1.00 33.21 C ATOM 84 CD LYS A 5 -5.376 6.781 -3.907 1.00 34.43 C ATOM 85 CE LYS A 5 -5.914 5.695 -2.987 1.00 61.21 C ATOM 86 NZ LYS A 5 -6.885 6.237 -1.997 1.00 53.12 N ATOM 87 H LYS A 5 -3.767 3.856 -5.237 1.00 43.43 H ATOM 88 HA LYS A 5 -1.849 5.917 -6.081 1.00 4.22 H ATOM 89 HB2 LYS A 5 -3.598 7.639 -5.546 1.00 34.44 H ATOM 90 HB3 LYS A 5 -3.931 6.671 -6.976 1.00 50.44 H ATOM 91 HG2 LYS A 5 -5.981 6.704 -5.947 1.00 53.43 H ATOM 92 HG3 LYS A 5 -5.303 5.196 -5.331 1.00 5.13 H ATOM 93 HD2 LYS A 5 -4.417 7.109 -3.535 1.00 31.21 H ATOM 94 HD3 LYS A 5 -6.067 7.612 -3.910 1.00 1.11 H ATOM 95 HE2 LYS A 5 -6.405 4.944 -3.587 1.00 13.23 H ATOM 96 HE3 LYS A 5 -5.086 5.247 -2.458 1.00 5.20 H ATOM 97 HZ1 LYS A 5 -7.793 5.736 -2.075 1.00 60.24 H ATOM 98 HZ2 LYS A 5 -7.045 7.250 -2.172 1.00 4.15 H ATOM 99 HZ3 LYS A 5 -6.517 6.117 -1.032 1.00 61.03 H ATOM 100 N ARG A 6 -2.421 4.723 -3.301 1.00 4.25 N ATOM 101 CA ARG A 6 -2.129 4.736 -1.872 1.00 61.31 C ATOM 102 C ARG A 6 -1.175 5.874 -1.522 1.00 63.21 C ATOM 103 O ARG A 6 -1.448 6.674 -0.628 1.00 13.53 O ATOM 104 CB ARG A 6 -1.524 3.398 -1.442 1.00 0.12 C ATOM 105 CG ARG A 6 -2.362 2.194 -1.840 1.00 51.33 C ATOM 106 CD ARG A 6 -2.543 1.232 -0.677 1.00 14.01 C ATOM 107 NE ARG A 6 -3.209 1.865 0.459 1.00 42.35 N ATOM 108 CZ ARG A 6 -3.292 1.312 1.663 1.00 1.45 C ATOM 109 NH1 ARG A 6 -2.754 0.122 1.889 1.00 63.23 N ATOM 110 NH2 ARG A 6 -3.914 1.951 2.646 1.00 22.04 N ATOM 111 H ARG A 6 -2.631 3.872 -3.738 1.00 21.31 H ATOM 112 HA ARG A 6 -3.059 4.886 -1.345 1.00 1.32 H ATOM 113 HB2 ARG A 6 -0.548 3.295 -1.894 1.00 14.10 H ATOM 114 HB3 ARG A 6 -1.416 3.395 -0.368 1.00 32.33 H ATOM 115 HG2 ARG A 6 -3.334 2.536 -2.165 1.00 62.55 H ATOM 116 HG3 ARG A 6 -1.870 1.677 -2.651 1.00 0.53 H ATOM 117 HD2 ARG A 6 -3.139 0.395 -1.009 1.00 64.41 H ATOM 118 HD3 ARG A 6 -1.572 0.881 -0.363 1.00 62.11 H ATOM 119 HE ARG A 6 -3.613 2.746 0.314 1.00 34.42 H ATOM 120 HH11 ARG A 6 -2.284 -0.361 1.150 1.00 24.33 H ATOM 121 HH12 ARG A 6 -2.817 -0.292 2.797 1.00 4.23 H ATOM 122 HH21 ARG A 6 -4.320 2.849 2.480 1.00 35.24 H ATOM 123 HH22 ARG A 6 -3.976 1.534 3.553 1.00 41.14 H ATOM 124 N PHE A 7 -0.054 5.939 -2.233 1.00 24.24 N ATOM 125 CA PHE A 7 0.942 6.978 -1.996 1.00 62.43 C ATOM 126 C PHE A 7 1.214 7.770 -3.271 1.00 42.43 C ATOM 127 O PHE A 7 1.842 8.828 -3.236 1.00 21.31 O ATOM 128 CB PHE A 7 2.243 6.359 -1.480 1.00 32.22 C ATOM 129 CG PHE A 7 2.027 5.221 -0.523 1.00 11.41 C ATOM 130 CD1 PHE A 7 1.554 5.457 0.758 1.00 24.32 C ATOM 131 CD2 PHE A 7 2.296 3.917 -0.905 1.00 30.04 C ATOM 132 CE1 PHE A 7 1.356 4.412 1.641 1.00 73.12 C ATOM 133 CE2 PHE A 7 2.099 2.868 -0.026 1.00 72.04 C ATOM 134 CZ PHE A 7 1.627 3.116 1.248 1.00 70.13 C ATOM 135 H PHE A 7 0.108 5.272 -2.933 1.00 21.55 H ATOM 136 HA PHE A 7 0.550 7.647 -1.247 1.00 13.41 H ATOM 137 HB2 PHE A 7 2.812 5.984 -2.317 1.00 20.21 H ATOM 138 HB3 PHE A 7 2.817 7.118 -0.971 1.00 13.34 H ATOM 139 HD1 PHE A 7 1.341 6.469 1.067 1.00 53.51 H ATOM 140 HD2 PHE A 7 2.665 3.722 -1.902 1.00 20.12 H ATOM 141 HE1 PHE A 7 0.986 4.608 2.636 1.00 4.34 H ATOM 142 HE2 PHE A 7 2.312 1.856 -0.337 1.00 70.03 H ATOM 143 HZ PHE A 7 1.473 2.298 1.936 1.00 71.04 H ATOM 144 N GLY A 8 0.737 7.250 -4.398 1.00 15.30 N ATOM 145 CA GLY A 8 0.938 7.921 -5.669 1.00 4.32 C ATOM 146 C GLY A 8 -0.232 8.807 -6.049 1.00 64.22 C ATOM 147 O GLY A 8 -0.104 10.030 -6.094 1.00 1.24 O ATOM 148 H GLY A 8 0.243 6.404 -4.366 1.00 21.11 H ATOM 149 HA2 GLY A 8 1.830 8.527 -5.606 1.00 12.41 H ATOM 150 HA3 GLY A 8 1.076 7.176 -6.438 1.00 73.15 H TER 151 GLY A 8 ENDMDL MODEL 8 ATOM 1 N GLY A 1 3.101 -0.334 -1.474 1.00 62.05 N ATOM 2 CA GLY A 1 1.652 -0.299 -1.541 1.00 50.22 C ATOM 3 C GLY A 1 1.142 0.722 -2.539 1.00 2.43 C ATOM 4 O GLY A 1 0.055 1.274 -2.371 1.00 54.11 O ATOM 5 H1 GLY A 1 3.566 0.105 -0.731 1.00 64.55 H ATOM 6 HA2 GLY A 1 1.292 -1.276 -1.826 1.00 13.00 H ATOM 7 HA3 GLY A 1 1.264 -0.054 -0.563 1.00 70.03 H ATOM 8 N TRP A 2 1.929 0.976 -3.578 1.00 23.41 N ATOM 9 CA TRP A 2 1.552 1.939 -4.606 1.00 13.34 C ATOM 10 C TRP A 2 0.777 1.261 -5.730 1.00 31.32 C ATOM 11 O TRP A 2 0.854 1.673 -6.887 1.00 74.14 O ATOM 12 CB TRP A 2 2.796 2.628 -5.170 1.00 35.40 C ATOM 13 CG TRP A 2 3.680 3.216 -4.113 1.00 12.42 C ATOM 14 CD1 TRP A 2 4.412 2.534 -3.183 1.00 54.30 C ATOM 15 CD2 TRP A 2 3.923 4.607 -3.876 1.00 43.32 C ATOM 16 NE1 TRP A 2 5.095 3.417 -2.383 1.00 3.53 N ATOM 17 CE2 TRP A 2 4.813 4.695 -2.788 1.00 4.20 C ATOM 18 CE3 TRP A 2 3.478 5.787 -4.479 1.00 30.21 C ATOM 19 CZ2 TRP A 2 5.263 5.916 -2.292 1.00 25.35 C ATOM 20 CZ3 TRP A 2 3.925 6.997 -3.985 1.00 3.32 C ATOM 21 CH2 TRP A 2 4.811 7.055 -2.901 1.00 21.44 C ATOM 22 H TRP A 2 2.785 0.504 -3.656 1.00 70.54 H ATOM 23 HA TRP A 2 0.918 2.683 -4.145 1.00 31.42 H ATOM 24 HB2 TRP A 2 3.376 1.908 -5.727 1.00 62.13 H ATOM 25 HB3 TRP A 2 2.488 3.425 -5.830 1.00 53.45 H ATOM 26 HD1 TRP A 2 4.438 1.459 -3.100 1.00 34.42 H ATOM 27 HE1 TRP A 2 5.690 3.172 -1.643 1.00 33.52 H ATOM 28 HE3 TRP A 2 2.795 5.763 -5.316 1.00 3.35 H ATOM 29 HZ2 TRP A 2 5.947 5.976 -1.457 1.00 13.40 H ATOM 30 HZ3 TRP A 2 3.591 7.920 -4.437 1.00 65.55 H ATOM 31 HH2 TRP A 2 5.134 8.022 -2.548 1.00 21.22 H ATOM 32 N LYS A 3 0.030 0.218 -5.382 1.00 41.14 N ATOM 33 CA LYS A 3 -0.761 -0.518 -6.362 1.00 3.41 C ATOM 34 C LYS A 3 -1.569 0.436 -7.236 1.00 0.44 C ATOM 35 O LYS A 3 -1.624 0.280 -8.455 1.00 72.45 O ATOM 36 CB LYS A 3 -1.699 -1.499 -5.657 1.00 33.15 C ATOM 37 CG LYS A 3 -2.411 -0.903 -4.454 1.00 63.21 C ATOM 38 CD LYS A 3 -2.102 -1.677 -3.184 1.00 33.55 C ATOM 39 CE LYS A 3 -2.721 -3.067 -3.213 1.00 50.34 C ATOM 40 NZ LYS A 3 -3.873 -3.181 -2.277 1.00 53.10 N ATOM 41 H LYS A 3 0.010 -0.063 -4.443 1.00 73.21 H ATOM 42 HA LYS A 3 -0.080 -1.072 -6.989 1.00 45.25 H ATOM 43 HB2 LYS A 3 -2.446 -1.834 -6.361 1.00 53.22 H ATOM 44 HB3 LYS A 3 -1.125 -2.351 -5.323 1.00 23.15 H ATOM 45 HG2 LYS A 3 -2.088 0.119 -4.327 1.00 12.54 H ATOM 46 HG3 LYS A 3 -3.477 -0.927 -4.630 1.00 21.22 H ATOM 47 HD2 LYS A 3 -1.032 -1.775 -3.082 1.00 44.13 H ATOM 48 HD3 LYS A 3 -2.498 -1.135 -2.337 1.00 1.34 H ATOM 49 HE2 LYS A 3 -3.061 -3.273 -4.216 1.00 75.44 H ATOM 50 HE3 LYS A 3 -1.967 -3.788 -2.933 1.00 55.13 H ATOM 51 HZ1 LYS A 3 -4.090 -4.182 -2.097 1.00 2.12 H ATOM 52 HZ2 LYS A 3 -4.713 -2.724 -2.687 1.00 0.31 H ATOM 53 HZ3 LYS A 3 -3.647 -2.718 -1.374 1.00 10.02 H ATOM 54 N ARG A 4 -2.193 1.425 -6.604 1.00 0.20 N ATOM 55 CA ARG A 4 -2.998 2.404 -7.324 1.00 43.45 C ATOM 56 C ARG A 4 -2.514 3.823 -7.037 1.00 60.21 C ATOM 57 O ARG A 4 -1.656 4.353 -7.743 1.00 63.10 O ATOM 58 CB ARG A 4 -4.472 2.269 -6.938 1.00 25.43 C ATOM 59 CG ARG A 4 -4.688 1.623 -5.579 1.00 23.31 C ATOM 60 CD ARG A 4 -6.165 1.554 -5.223 1.00 64.15 C ATOM 61 NE ARG A 4 -6.440 2.136 -3.913 1.00 22.14 N ATOM 62 CZ ARG A 4 -7.574 1.946 -3.247 1.00 63.34 C ATOM 63 NH1 ARG A 4 -8.533 1.192 -3.768 1.00 1.45 N ATOM 64 NH2 ARG A 4 -7.750 2.509 -2.059 1.00 42.10 N ATOM 65 H ARG A 4 -2.111 1.498 -5.630 1.00 60.20 H ATOM 66 HA ARG A 4 -2.892 2.208 -8.381 1.00 33.11 H ATOM 67 HB2 ARG A 4 -4.919 3.252 -6.920 1.00 32.54 H ATOM 68 HB3 ARG A 4 -4.972 1.668 -7.682 1.00 33.44 H ATOM 69 HG2 ARG A 4 -4.287 0.620 -5.599 1.00 43.13 H ATOM 70 HG3 ARG A 4 -4.172 2.204 -4.829 1.00 31.42 H ATOM 71 HD2 ARG A 4 -6.727 2.093 -5.971 1.00 43.22 H ATOM 72 HD3 ARG A 4 -6.472 0.519 -5.219 1.00 70.24 H ATOM 73 HE ARG A 4 -5.745 2.696 -3.510 1.00 5.13 H ATOM 74 HH11 ARG A 4 -8.403 0.766 -4.662 1.00 64.23 H ATOM 75 HH12 ARG A 4 -9.385 1.050 -3.264 1.00 34.20 H ATOM 76 HH21 ARG A 4 -7.029 3.077 -1.664 1.00 1.43 H ATOM 77 HH22 ARG A 4 -8.603 2.366 -1.559 1.00 74.54 H ATOM 78 N LYS A 5 -3.071 4.433 -5.996 1.00 61.24 N ATOM 79 CA LYS A 5 -2.697 5.789 -5.614 1.00 0.31 C ATOM 80 C LYS A 5 -2.456 5.884 -4.111 1.00 33.03 C ATOM 81 O LYS A 5 -2.217 6.968 -3.578 1.00 61.30 O ATOM 82 CB LYS A 5 -3.789 6.778 -6.030 1.00 21.34 C ATOM 83 CG LYS A 5 -5.176 6.389 -5.548 1.00 11.51 C ATOM 84 CD LYS A 5 -5.417 6.844 -4.118 1.00 55.33 C ATOM 85 CE LYS A 5 -6.005 5.727 -3.270 1.00 1.14 C ATOM 86 NZ LYS A 5 -7.195 5.107 -3.915 1.00 40.23 N ATOM 87 H LYS A 5 -3.750 3.958 -5.472 1.00 1.24 H ATOM 88 HA LYS A 5 -1.782 6.039 -6.129 1.00 50.03 H ATOM 89 HB2 LYS A 5 -3.550 7.751 -5.626 1.00 64.43 H ATOM 90 HB3 LYS A 5 -3.810 6.840 -7.108 1.00 63.22 H ATOM 91 HG2 LYS A 5 -5.912 6.850 -6.190 1.00 13.03 H ATOM 92 HG3 LYS A 5 -5.276 5.314 -5.596 1.00 10.42 H ATOM 93 HD2 LYS A 5 -4.478 7.154 -3.685 1.00 14.44 H ATOM 94 HD3 LYS A 5 -6.105 7.678 -4.126 1.00 52.23 H ATOM 95 HE2 LYS A 5 -5.250 4.970 -3.123 1.00 34.43 H ATOM 96 HE3 LYS A 5 -6.296 6.135 -2.313 1.00 34.00 H ATOM 97 HZ1 LYS A 5 -7.810 4.678 -3.195 1.00 10.42 H ATOM 98 HZ2 LYS A 5 -6.894 4.369 -4.584 1.00 35.25 H ATOM 99 HZ3 LYS A 5 -7.736 5.828 -4.434 1.00 33.03 H ATOM 100 N ARG A 6 -2.520 4.743 -3.433 1.00 31.33 N ATOM 101 CA ARG A 6 -2.309 4.698 -1.991 1.00 22.41 C ATOM 102 C ARG A 6 -1.356 5.803 -1.546 1.00 42.34 C ATOM 103 O ARG A 6 -1.664 6.575 -0.638 1.00 53.21 O ATOM 104 CB ARG A 6 -1.753 3.334 -1.578 1.00 24.31 C ATOM 105 CG ARG A 6 -2.166 2.905 -0.179 1.00 53.45 C ATOM 106 CD ARG A 6 -2.544 1.433 -0.137 1.00 11.03 C ATOM 107 NE ARG A 6 -1.875 0.728 0.953 1.00 33.32 N ATOM 108 CZ ARG A 6 -2.145 0.935 2.237 1.00 20.43 C ATOM 109 NH1 ARG A 6 -3.065 1.821 2.590 1.00 14.23 N ATOM 110 NH2 ARG A 6 -1.494 0.253 3.171 1.00 3.44 N ATOM 111 H ARG A 6 -2.715 3.911 -3.913 1.00 62.03 H ATOM 112 HA ARG A 6 -3.264 4.847 -1.511 1.00 11.44 H ATOM 113 HB2 ARG A 6 -2.103 2.588 -2.277 1.00 4.31 H ATOM 114 HB3 ARG A 6 -0.674 3.372 -1.615 1.00 14.21 H ATOM 115 HG2 ARG A 6 -1.342 3.074 0.497 1.00 24.44 H ATOM 116 HG3 ARG A 6 -3.016 3.495 0.131 1.00 44.50 H ATOM 117 HD2 ARG A 6 -3.612 1.353 -0.002 1.00 75.12 H ATOM 118 HD3 ARG A 6 -2.264 0.976 -1.074 1.00 54.33 H ATOM 119 HE ARG A 6 -1.192 0.068 0.715 1.00 65.02 H ATOM 120 HH11 ARG A 6 -3.558 2.335 1.889 1.00 54.14 H ATOM 121 HH12 ARG A 6 -3.267 1.974 3.558 1.00 55.20 H ATOM 122 HH21 ARG A 6 -0.799 -0.416 2.909 1.00 13.01 H ATOM 123 HH22 ARG A 6 -1.697 0.410 4.137 1.00 32.14 H ATOM 124 N PHE A 7 -0.197 5.873 -2.192 1.00 45.32 N ATOM 125 CA PHE A 7 0.803 6.883 -1.863 1.00 15.23 C ATOM 126 C PHE A 7 1.154 7.721 -3.089 1.00 13.14 C ATOM 127 O PHE A 7 1.795 8.765 -2.978 1.00 10.14 O ATOM 128 CB PHE A 7 2.064 6.220 -1.305 1.00 40.45 C ATOM 129 CG PHE A 7 1.780 5.047 -0.413 1.00 30.55 C ATOM 130 CD1 PHE A 7 1.110 5.219 0.788 1.00 21.40 C ATOM 131 CD2 PHE A 7 2.183 3.771 -0.774 1.00 4.15 C ATOM 132 CE1 PHE A 7 0.847 4.140 1.612 1.00 53.50 C ATOM 133 CE2 PHE A 7 1.922 2.689 0.046 1.00 5.20 C ATOM 134 CZ PHE A 7 1.254 2.874 1.241 1.00 45.32 C ATOM 135 H PHE A 7 -0.008 5.230 -2.907 1.00 71.43 H ATOM 136 HA PHE A 7 0.382 7.530 -1.108 1.00 25.32 H ATOM 137 HB2 PHE A 7 2.672 5.872 -2.127 1.00 11.21 H ATOM 138 HB3 PHE A 7 2.621 6.947 -0.734 1.00 11.15 H ATOM 139 HD1 PHE A 7 0.791 6.209 1.080 1.00 52.54 H ATOM 140 HD2 PHE A 7 2.707 3.625 -1.707 1.00 32.21 H ATOM 141 HE1 PHE A 7 0.324 4.289 2.545 1.00 22.03 H ATOM 142 HE2 PHE A 7 2.243 1.700 -0.246 1.00 54.23 H ATOM 143 HZ PHE A 7 1.049 2.031 1.883 1.00 62.45 H ATOM 144 N GLY A 8 0.729 7.254 -4.259 1.00 14.31 N ATOM 145 CA GLY A 8 1.008 7.971 -5.489 1.00 53.52 C ATOM 146 C GLY A 8 -0.195 8.742 -5.997 1.00 20.31 C ATOM 147 O GLY A 8 -0.806 8.363 -6.996 1.00 40.43 O ATOM 148 H GLY A 8 0.221 6.416 -4.287 1.00 3.01 H ATOM 149 HA2 GLY A 8 1.818 8.664 -5.314 1.00 33.42 H ATOM 150 HA3 GLY A 8 1.311 7.262 -6.245 1.00 22.10 H TER 151 GLY A 8 ENDMDL MODEL 9 ATOM 1 N GLY A 1 3.281 -0.308 -1.586 1.00 21.43 N ATOM 2 CA GLY A 1 1.837 -0.196 -1.499 1.00 32.35 C ATOM 3 C GLY A 1 1.273 0.813 -2.479 1.00 63.44 C ATOM 4 O GLY A 1 0.228 1.413 -2.230 1.00 42.32 O ATOM 5 H1 GLY A 1 3.685 -1.096 -2.007 1.00 0.11 H ATOM 6 HA2 GLY A 1 1.399 -1.162 -1.700 1.00 71.53 H ATOM 7 HA3 GLY A 1 1.571 0.106 -0.496 1.00 54.23 H ATOM 8 N TRP A 2 1.967 1.001 -3.596 1.00 61.50 N ATOM 9 CA TRP A 2 1.530 1.946 -4.617 1.00 61.23 C ATOM 10 C TRP A 2 0.626 1.264 -5.639 1.00 4.32 C ATOM 11 O TRP A 2 0.611 1.633 -6.813 1.00 44.14 O ATOM 12 CB TRP A 2 2.740 2.564 -5.320 1.00 53.22 C ATOM 13 CG TRP A 2 3.738 3.157 -4.373 1.00 2.13 C ATOM 14 CD1 TRP A 2 4.539 2.481 -3.497 1.00 14.03 C ATOM 15 CD2 TRP A 2 4.041 4.546 -4.205 1.00 52.55 C ATOM 16 NE1 TRP A 2 5.320 3.367 -2.795 1.00 25.52 N ATOM 17 CE2 TRP A 2 5.035 4.640 -3.212 1.00 33.33 C ATOM 18 CE3 TRP A 2 3.570 5.721 -4.800 1.00 25.53 C ATOM 19 CZ2 TRP A 2 5.564 5.860 -2.800 1.00 55.24 C ATOM 20 CZ3 TRP A 2 4.096 6.931 -4.390 1.00 41.11 C ATOM 21 CH2 TRP A 2 5.085 6.994 -3.399 1.00 34.30 C ATOM 22 H TRP A 2 2.793 0.492 -3.738 1.00 21.33 H ATOM 23 HA TRP A 2 0.972 2.729 -4.126 1.00 33.24 H ATOM 24 HB2 TRP A 2 3.241 1.802 -5.899 1.00 15.45 H ATOM 25 HB3 TRP A 2 2.400 3.348 -5.982 1.00 1.24 H ATOM 26 HD1 TRP A 2 4.544 1.408 -3.382 1.00 32.11 H ATOM 27 HE1 TRP A 2 5.977 3.125 -2.108 1.00 64.24 H ATOM 28 HE3 TRP A 2 2.809 5.693 -5.565 1.00 61.23 H ATOM 29 HZ2 TRP A 2 6.326 5.925 -2.038 1.00 63.01 H ATOM 30 HZ3 TRP A 2 3.744 7.849 -4.838 1.00 5.23 H ATOM 31 HH2 TRP A 2 5.466 7.961 -3.110 1.00 61.22 H ATOM 32 N LYS A 3 -0.127 0.268 -5.185 1.00 4.12 N ATOM 33 CA LYS A 3 -1.035 -0.465 -6.059 1.00 0.32 C ATOM 34 C LYS A 3 -1.881 0.494 -6.891 1.00 21.21 C ATOM 35 O LYS A 3 -2.055 0.298 -8.094 1.00 3.41 O ATOM 36 CB LYS A 3 -1.944 -1.378 -5.233 1.00 64.42 C ATOM 37 CG LYS A 3 -2.511 -0.711 -3.992 1.00 70.51 C ATOM 38 CD LYS A 3 -2.110 -1.453 -2.728 1.00 33.11 C ATOM 39 CE LYS A 3 -2.939 -2.714 -2.535 1.00 12.32 C ATOM 40 NZ LYS A 3 -2.175 -3.776 -1.824 1.00 75.31 N ATOM 41 H LYS A 3 -0.071 0.020 -4.238 1.00 5.13 H ATOM 42 HA LYS A 3 -0.439 -1.070 -6.724 1.00 63.23 H ATOM 43 HB2 LYS A 3 -2.768 -1.701 -5.852 1.00 40.31 H ATOM 44 HB3 LYS A 3 -1.377 -2.245 -4.923 1.00 50.25 H ATOM 45 HG2 LYS A 3 -2.139 0.301 -3.936 1.00 63.40 H ATOM 46 HG3 LYS A 3 -3.589 -0.697 -4.064 1.00 14.14 H ATOM 47 HD2 LYS A 3 -1.068 -1.728 -2.797 1.00 74.41 H ATOM 48 HD3 LYS A 3 -2.257 -0.802 -1.877 1.00 61.34 H ATOM 49 HE2 LYS A 3 -3.817 -2.467 -1.958 1.00 52.40 H ATOM 50 HE3 LYS A 3 -3.238 -3.084 -3.504 1.00 71.13 H ATOM 51 HZ1 LYS A 3 -1.154 -3.621 -1.940 1.00 41.13 H ATOM 52 HZ2 LYS A 3 -2.420 -4.711 -2.211 1.00 4.43 H ATOM 53 HZ3 LYS A 3 -2.404 -3.763 -0.810 1.00 33.12 H ATOM 54 N ARG A 4 -2.403 1.530 -6.243 1.00 32.10 N ATOM 55 CA ARG A 4 -3.230 2.519 -6.924 1.00 35.42 C ATOM 56 C ARG A 4 -2.673 3.925 -6.723 1.00 71.22 C ATOM 57 O ARG A 4 -1.869 4.406 -7.522 1.00 22.43 O ATOM 58 CB ARG A 4 -4.670 2.451 -6.410 1.00 60.05 C ATOM 59 CG ARG A 4 -4.794 1.841 -5.024 1.00 31.11 C ATOM 60 CD ARG A 4 -6.240 1.819 -4.552 1.00 63.34 C ATOM 61 NE ARG A 4 -6.960 0.649 -5.049 1.00 45.12 N ATOM 62 CZ ARG A 4 -8.149 0.270 -4.595 1.00 1.44 C ATOM 63 NH1 ARG A 4 -8.749 0.966 -3.638 1.00 61.43 N ATOM 64 NH2 ARG A 4 -8.741 -0.806 -5.097 1.00 44.31 N ATOM 65 H ARG A 4 -2.229 1.632 -5.284 1.00 21.41 H ATOM 66 HA ARG A 4 -3.223 2.288 -7.979 1.00 4.24 H ATOM 67 HB2 ARG A 4 -5.075 3.452 -6.377 1.00 35.42 H ATOM 68 HB3 ARG A 4 -5.256 1.857 -7.095 1.00 62.33 H ATOM 69 HG2 ARG A 4 -4.421 0.828 -5.052 1.00 22.23 H ATOM 70 HG3 ARG A 4 -4.207 2.424 -4.330 1.00 40.25 H ATOM 71 HD2 ARG A 4 -6.252 1.805 -3.473 1.00 11.12 H ATOM 72 HD3 ARG A 4 -6.733 2.711 -4.907 1.00 13.23 H ATOM 73 HE ARG A 4 -6.534 0.121 -5.756 1.00 73.10 H ATOM 74 HH11 ARG A 4 -8.306 1.777 -3.259 1.00 2.55 H ATOM 75 HH12 ARG A 4 -9.645 0.679 -3.299 1.00 30.04 H ATOM 76 HH21 ARG A 4 -8.291 -1.332 -5.818 1.00 75.23 H ATOM 77 HH22 ARG A 4 -9.635 -1.090 -4.754 1.00 54.03 H ATOM 78 N LYS A 5 -3.106 4.580 -5.652 1.00 15.05 N ATOM 79 CA LYS A 5 -2.651 5.931 -5.344 1.00 74.30 C ATOM 80 C LYS A 5 -2.274 6.056 -3.871 1.00 73.34 C ATOM 81 O LYS A 5 -1.952 7.144 -3.394 1.00 32.33 O ATOM 82 CB LYS A 5 -3.740 6.949 -5.691 1.00 2.00 C ATOM 83 CG LYS A 5 -4.850 7.029 -4.657 1.00 61.23 C ATOM 84 CD LYS A 5 -5.800 5.848 -4.767 1.00 52.33 C ATOM 85 CE LYS A 5 -5.874 5.069 -3.463 1.00 52.02 C ATOM 86 NZ LYS A 5 -6.415 5.899 -2.351 1.00 61.11 N ATOM 87 H LYS A 5 -3.748 4.144 -5.052 1.00 20.43 H ATOM 88 HA LYS A 5 -1.778 6.131 -5.945 1.00 43.43 H ATOM 89 HB2 LYS A 5 -3.287 7.926 -5.779 1.00 73.30 H ATOM 90 HB3 LYS A 5 -4.179 6.679 -6.640 1.00 74.43 H ATOM 91 HG2 LYS A 5 -4.411 7.033 -3.671 1.00 12.14 H ATOM 92 HG3 LYS A 5 -5.406 7.943 -4.810 1.00 33.21 H ATOM 93 HD2 LYS A 5 -6.787 6.213 -5.012 1.00 62.20 H ATOM 94 HD3 LYS A 5 -5.453 5.190 -5.551 1.00 70.30 H ATOM 95 HE2 LYS A 5 -6.515 4.213 -3.607 1.00 33.15 H ATOM 96 HE3 LYS A 5 -4.881 4.735 -3.202 1.00 1.10 H ATOM 97 HZ1 LYS A 5 -7.283 6.383 -2.656 1.00 11.32 H ATOM 98 HZ2 LYS A 5 -5.714 6.613 -2.065 1.00 73.51 H ATOM 99 HZ3 LYS A 5 -6.635 5.298 -1.531 1.00 51.15 H ATOM 100 N ARG A 6 -2.315 4.935 -3.158 1.00 13.55 N ATOM 101 CA ARG A 6 -1.977 4.920 -1.739 1.00 55.44 C ATOM 102 C ARG A 6 -0.947 5.998 -1.414 1.00 55.24 C ATOM 103 O ARG A 6 -1.139 6.798 -0.498 1.00 45.22 O ATOM 104 CB ARG A 6 -1.438 3.547 -1.336 1.00 74.43 C ATOM 105 CG ARG A 6 -1.750 3.168 0.103 1.00 42.44 C ATOM 106 CD ARG A 6 -1.965 1.670 0.251 1.00 44.33 C ATOM 107 NE ARG A 6 -2.779 1.347 1.419 1.00 4.04 N ATOM 108 CZ ARG A 6 -4.099 1.490 1.458 1.00 43.11 C ATOM 109 NH1 ARG A 6 -4.750 1.948 0.398 1.00 54.11 N ATOM 110 NH2 ARG A 6 -4.770 1.174 2.558 1.00 3.32 N ATOM 111 H ARG A 6 -2.580 4.099 -3.595 1.00 2.13 H ATOM 112 HA ARG A 6 -2.880 5.121 -1.181 1.00 44.22 H ATOM 113 HB2 ARG A 6 -1.872 2.798 -1.984 1.00 2.44 H ATOM 114 HB3 ARG A 6 -0.366 3.543 -1.463 1.00 33.04 H ATOM 115 HG2 ARG A 6 -0.923 3.466 0.730 1.00 21.04 H ATOM 116 HG3 ARG A 6 -2.645 3.685 0.415 1.00 74.43 H ATOM 117 HD2 ARG A 6 -2.461 1.302 -0.635 1.00 20.14 H ATOM 118 HD3 ARG A 6 -1.002 1.191 0.350 1.00 74.54 H ATOM 119 HE ARG A 6 -2.317 1.007 2.214 1.00 73.02 H ATOM 120 HH11 ARG A 6 -4.247 2.186 -0.433 1.00 35.12 H ATOM 121 HH12 ARG A 6 -5.745 2.054 0.429 1.00 24.21 H ATOM 122 HH21 ARG A 6 -4.282 0.829 3.359 1.00 21.51 H ATOM 123 HH22 ARG A 6 -5.763 1.282 2.586 1.00 1.53 H ATOM 124 N PHE A 7 0.145 6.013 -2.171 1.00 30.21 N ATOM 125 CA PHE A 7 1.206 6.991 -1.963 1.00 2.03 C ATOM 126 C PHE A 7 1.464 7.793 -3.235 1.00 11.11 C ATOM 127 O PHE A 7 2.150 8.814 -3.210 1.00 65.42 O ATOM 128 CB PHE A 7 2.493 6.292 -1.517 1.00 54.43 C ATOM 129 CG PHE A 7 2.258 5.155 -0.565 1.00 2.35 C ATOM 130 CD1 PHE A 7 1.703 5.384 0.684 1.00 31.32 C ATOM 131 CD2 PHE A 7 2.593 3.858 -0.918 1.00 33.13 C ATOM 132 CE1 PHE A 7 1.487 4.339 1.563 1.00 10.11 C ATOM 133 CE2 PHE A 7 2.379 2.809 -0.043 1.00 54.20 C ATOM 134 CZ PHE A 7 1.824 3.050 1.199 1.00 41.24 C ATOM 135 H PHE A 7 0.240 5.349 -2.886 1.00 51.02 H ATOM 136 HA PHE A 7 0.885 7.666 -1.185 1.00 4.25 H ATOM 137 HB2 PHE A 7 2.999 5.898 -2.386 1.00 13.05 H ATOM 138 HB3 PHE A 7 3.133 7.011 -1.028 1.00 34.21 H ATOM 139 HD1 PHE A 7 1.438 6.391 0.970 1.00 33.14 H ATOM 140 HD2 PHE A 7 3.027 3.668 -1.890 1.00 15.35 H ATOM 141 HE1 PHE A 7 1.053 4.530 2.533 1.00 10.12 H ATOM 142 HE2 PHE A 7 2.643 1.803 -0.332 1.00 25.25 H ATOM 143 HZ PHE A 7 1.657 2.233 1.884 1.00 73.44 H ATOM 144 N GLY A 8 0.908 7.322 -4.347 1.00 53.32 N ATOM 145 CA GLY A 8 1.089 8.006 -5.614 1.00 52.42 C ATOM 146 C GLY A 8 -0.159 8.742 -6.059 1.00 53.34 C ATOM 147 O GLY A 8 -0.201 9.301 -7.156 1.00 21.54 O ATOM 148 H GLY A 8 0.370 6.504 -4.307 1.00 70.30 H ATOM 149 HA2 GLY A 8 1.897 8.716 -5.515 1.00 73.04 H ATOM 150 HA3 GLY A 8 1.352 7.279 -6.368 1.00 40.23 H TER 151 GLY A 8 ENDMDL MODEL 10 ATOM 1 N GLY A 1 3.058 -0.419 -1.700 1.00 33.45 N ATOM 2 CA GLY A 1 1.610 -0.316 -1.701 1.00 2.11 C ATOM 3 C GLY A 1 1.105 0.740 -2.664 1.00 3.22 C ATOM 4 O GLY A 1 0.042 1.324 -2.453 1.00 43.22 O ATOM 5 H1 GLY A 1 3.489 -1.227 -1.349 1.00 0.43 H ATOM 6 HA2 GLY A 1 1.192 -1.272 -1.979 1.00 41.34 H ATOM 7 HA3 GLY A 1 1.278 -0.066 -0.704 1.00 52.30 H ATOM 8 N TRP A 2 1.869 0.987 -3.722 1.00 1.12 N ATOM 9 CA TRP A 2 1.493 1.982 -4.720 1.00 5.00 C ATOM 10 C TRP A 2 0.663 1.351 -5.832 1.00 34.03 C ATOM 11 O TRP A 2 0.718 1.783 -6.983 1.00 72.45 O ATOM 12 CB TRP A 2 2.742 2.639 -5.310 1.00 3.20 C ATOM 13 CG TRP A 2 3.675 3.184 -4.270 1.00 75.43 C ATOM 14 CD1 TRP A 2 4.417 2.464 -3.378 1.00 45.23 C ATOM 15 CD2 TRP A 2 3.961 4.563 -4.014 1.00 62.22 C ATOM 16 NE1 TRP A 2 5.149 3.313 -2.583 1.00 52.20 N ATOM 17 CE2 TRP A 2 4.887 4.606 -2.954 1.00 23.34 C ATOM 18 CE3 TRP A 2 3.528 5.765 -4.579 1.00 14.34 C ATOM 19 CZ2 TRP A 2 5.384 5.804 -2.448 1.00 22.12 C ATOM 20 CZ3 TRP A 2 4.021 6.954 -4.075 1.00 64.32 C ATOM 21 CH2 TRP A 2 4.942 6.966 -3.019 1.00 43.22 C ATOM 22 H TRP A 2 2.706 0.489 -3.835 1.00 33.31 H ATOM 23 HA TRP A 2 0.899 2.737 -4.227 1.00 3.23 H ATOM 24 HB2 TRP A 2 3.284 1.910 -5.894 1.00 15.11 H ATOM 25 HB3 TRP A 2 2.442 3.456 -5.950 1.00 14.31 H ATOM 26 HD1 TRP A 2 4.418 1.387 -3.317 1.00 63.33 H ATOM 27 HE1 TRP A 2 5.760 3.037 -1.868 1.00 12.13 H ATOM 28 HE3 TRP A 2 2.818 5.776 -5.393 1.00 44.21 H ATOM 29 HZ2 TRP A 2 6.095 5.830 -1.635 1.00 11.24 H ATOM 30 HZ3 TRP A 2 3.697 7.893 -4.499 1.00 3.15 H ATOM 31 HH2 TRP A 2 5.301 7.917 -2.658 1.00 1.52 H ATOM 32 N LYS A 3 -0.108 0.327 -5.480 1.00 63.13 N ATOM 33 CA LYS A 3 -0.952 -0.363 -6.448 1.00 71.40 C ATOM 34 C LYS A 3 -1.757 0.633 -7.276 1.00 35.02 C ATOM 35 O LYS A 3 -1.853 0.506 -8.497 1.00 20.04 O ATOM 36 CB LYS A 3 -1.898 -1.330 -5.732 1.00 60.32 C ATOM 37 CG LYS A 3 -2.545 -0.741 -4.491 1.00 1.02 C ATOM 38 CD LYS A 3 -2.208 -1.549 -3.249 1.00 62.41 C ATOM 39 CE LYS A 3 -3.165 -2.717 -3.067 1.00 74.03 C ATOM 40 NZ LYS A 3 -3.344 -3.069 -1.631 1.00 75.14 N ATOM 41 H LYS A 3 -0.109 0.028 -4.546 1.00 41.52 H ATOM 42 HA LYS A 3 -0.309 -0.925 -7.108 1.00 60.04 H ATOM 43 HB2 LYS A 3 -2.681 -1.622 -6.417 1.00 22.13 H ATOM 44 HB3 LYS A 3 -1.341 -2.209 -5.440 1.00 33.13 H ATOM 45 HG2 LYS A 3 -2.190 0.270 -4.356 1.00 51.01 H ATOM 46 HG3 LYS A 3 -3.617 -0.733 -4.624 1.00 75.31 H ATOM 47 HD2 LYS A 3 -1.203 -1.934 -3.342 1.00 10.20 H ATOM 48 HD3 LYS A 3 -2.270 -0.906 -2.383 1.00 52.51 H ATOM 49 HE2 LYS A 3 -4.123 -2.449 -3.485 1.00 53.54 H ATOM 50 HE3 LYS A 3 -2.771 -3.574 -3.593 1.00 22.11 H ATOM 51 HZ1 LYS A 3 -2.438 -3.370 -1.221 1.00 64.12 H ATOM 52 HZ2 LYS A 3 -4.030 -3.845 -1.537 1.00 74.31 H ATOM 53 HZ3 LYS A 3 -3.696 -2.245 -1.103 1.00 23.42 H ATOM 54 N ARG A 4 -2.334 1.624 -6.604 1.00 4.40 N ATOM 55 CA ARG A 4 -3.130 2.642 -7.278 1.00 53.41 C ATOM 56 C ARG A 4 -2.594 4.039 -6.978 1.00 14.21 C ATOM 57 O ARG A 4 -1.748 4.561 -7.704 1.00 24.42 O ATOM 58 CB ARG A 4 -4.595 2.543 -6.847 1.00 23.21 C ATOM 59 CG ARG A 4 -4.788 1.866 -5.500 1.00 32.03 C ATOM 60 CD ARG A 4 -6.260 1.771 -5.130 1.00 52.41 C ATOM 61 NE ARG A 4 -6.455 1.632 -3.689 1.00 61.35 N ATOM 62 CZ ARG A 4 -6.291 0.489 -3.033 1.00 61.52 C ATOM 63 NH1 ARG A 4 -5.931 -0.608 -3.685 1.00 63.32 N ATOM 64 NH2 ARG A 4 -6.487 0.441 -1.722 1.00 2.03 N ATOM 65 H ARG A 4 -2.221 1.672 -5.632 1.00 11.15 H ATOM 66 HA ARG A 4 -3.065 2.465 -8.341 1.00 45.21 H ATOM 67 HB2 ARG A 4 -5.009 3.539 -6.787 1.00 70.53 H ATOM 68 HB3 ARG A 4 -5.138 1.979 -7.590 1.00 14.21 H ATOM 69 HG2 ARG A 4 -4.375 0.869 -5.545 1.00 73.05 H ATOM 70 HG3 ARG A 4 -4.272 2.437 -4.743 1.00 44.40 H ATOM 71 HD2 ARG A 4 -6.760 2.668 -5.466 1.00 33.41 H ATOM 72 HD3 ARG A 4 -6.688 0.913 -5.627 1.00 3.41 H ATOM 73 HE ARG A 4 -6.721 2.430 -3.188 1.00 33.10 H ATOM 74 HH11 ARG A 4 -5.781 -0.575 -4.673 1.00 75.23 H ATOM 75 HH12 ARG A 4 -5.807 -1.468 -3.188 1.00 43.45 H ATOM 76 HH21 ARG A 4 -6.758 1.266 -1.227 1.00 31.13 H ATOM 77 HH22 ARG A 4 -6.363 -0.420 -1.229 1.00 13.42 H ATOM 78 N LYS A 5 -3.094 4.641 -5.904 1.00 20.45 N ATOM 79 CA LYS A 5 -2.666 5.976 -5.506 1.00 11.45 C ATOM 80 C LYS A 5 -2.380 6.032 -4.008 1.00 45.44 C ATOM 81 O LYS A 5 -2.093 7.097 -3.461 1.00 50.42 O ATOM 82 CB LYS A 5 -3.737 7.007 -5.869 1.00 73.04 C ATOM 83 CG LYS A 5 -4.910 7.033 -4.904 1.00 24.51 C ATOM 84 CD LYS A 5 -5.847 5.859 -5.134 1.00 21.24 C ATOM 85 CE LYS A 5 -6.005 5.018 -3.876 1.00 72.32 C ATOM 86 NZ LYS A 5 -6.704 5.764 -2.794 1.00 2.53 N ATOM 87 H LYS A 5 -3.767 4.174 -5.364 1.00 62.31 H ATOM 88 HA LYS A 5 -1.759 6.208 -6.042 1.00 62.15 H ATOM 89 HB2 LYS A 5 -3.286 7.988 -5.882 1.00 14.34 H ATOM 90 HB3 LYS A 5 -4.116 6.782 -6.856 1.00 62.12 H ATOM 91 HG2 LYS A 5 -4.533 6.986 -3.893 1.00 21.11 H ATOM 92 HG3 LYS A 5 -5.459 7.953 -5.043 1.00 61.13 H ATOM 93 HD2 LYS A 5 -6.816 6.235 -5.426 1.00 31.22 H ATOM 94 HD3 LYS A 5 -5.446 5.239 -5.923 1.00 73.31 H ATOM 95 HE2 LYS A 5 -6.576 4.135 -4.119 1.00 73.21 H ATOM 96 HE3 LYS A 5 -5.025 4.728 -3.527 1.00 71.44 H ATOM 97 HZ1 LYS A 5 -6.155 6.607 -2.529 1.00 21.13 H ATOM 98 HZ2 LYS A 5 -6.815 5.158 -1.956 1.00 4.11 H ATOM 99 HZ3 LYS A 5 -7.645 6.065 -3.117 1.00 34.31 H ATOM 100 N ARG A 6 -2.457 4.879 -3.352 1.00 54.41 N ATOM 101 CA ARG A 6 -2.206 4.798 -1.918 1.00 61.13 C ATOM 102 C ARG A 6 -1.205 5.863 -1.481 1.00 24.14 C ATOM 103 O ARG A 6 -1.458 6.620 -0.543 1.00 42.24 O ATOM 104 CB ARG A 6 -1.683 3.409 -1.549 1.00 32.52 C ATOM 105 CG ARG A 6 -2.084 2.958 -0.153 1.00 43.43 C ATOM 106 CD ARG A 6 -2.722 1.578 -0.175 1.00 11.41 C ATOM 107 NE ARG A 6 -2.975 1.071 1.171 1.00 11.20 N ATOM 108 CZ ARG A 6 -3.928 1.544 1.967 1.00 24.44 C ATOM 109 NH1 ARG A 6 -4.713 2.529 1.555 1.00 71.23 N ATOM 110 NH2 ARG A 6 -4.096 1.030 3.179 1.00 32.01 N ATOM 111 H ARG A 6 -2.690 4.064 -3.843 1.00 72.05 H ATOM 112 HA ARG A 6 -3.141 4.969 -1.407 1.00 75.51 H ATOM 113 HB2 ARG A 6 -2.068 2.691 -2.259 1.00 11.14 H ATOM 114 HB3 ARG A 6 -0.605 3.416 -1.605 1.00 52.25 H ATOM 115 HG2 ARG A 6 -1.203 2.926 0.471 1.00 60.50 H ATOM 116 HG3 ARG A 6 -2.790 3.666 0.254 1.00 10.30 H ATOM 117 HD2 ARG A 6 -3.659 1.638 -0.709 1.00 2.04 H ATOM 118 HD3 ARG A 6 -2.059 0.898 -0.687 1.00 63.15 H ATOM 119 HE ARG A 6 -2.406 0.343 1.496 1.00 12.11 H ATOM 120 HH11 ARG A 6 -4.589 2.917 0.642 1.00 50.12 H ATOM 121 HH12 ARG A 6 -5.430 2.882 2.156 1.00 74.11 H ATOM 122 HH21 ARG A 6 -3.506 0.287 3.494 1.00 51.04 H ATOM 123 HH22 ARG A 6 -4.813 1.386 3.778 1.00 50.24 H ATOM 124 N PHE A 7 -0.067 5.915 -2.165 1.00 24.41 N ATOM 125 CA PHE A 7 0.974 6.885 -1.846 1.00 53.40 C ATOM 126 C PHE A 7 1.308 7.744 -3.062 1.00 72.05 C ATOM 127 O PHE A 7 1.985 8.765 -2.949 1.00 30.35 O ATOM 128 CB PHE A 7 2.233 6.171 -1.351 1.00 11.14 C ATOM 129 CG PHE A 7 1.944 4.987 -0.472 1.00 42.51 C ATOM 130 CD1 PHE A 7 1.314 5.153 0.751 1.00 70.03 C ATOM 131 CD2 PHE A 7 2.303 3.709 -0.869 1.00 55.43 C ATOM 132 CE1 PHE A 7 1.048 4.066 1.561 1.00 30.42 C ATOM 133 CE2 PHE A 7 2.039 2.618 -0.063 1.00 53.02 C ATOM 134 CZ PHE A 7 1.410 2.796 1.153 1.00 14.53 C ATOM 135 H PHE A 7 0.077 5.284 -2.902 1.00 1.12 H ATOM 136 HA PHE A 7 0.600 7.524 -1.061 1.00 2.41 H ATOM 137 HB2 PHE A 7 2.798 5.822 -2.201 1.00 44.03 H ATOM 138 HB3 PHE A 7 2.834 6.867 -0.785 1.00 53.20 H ATOM 139 HD1 PHE A 7 1.030 6.145 1.071 1.00 75.43 H ATOM 140 HD2 PHE A 7 2.795 3.569 -1.822 1.00 33.34 H ATOM 141 HE1 PHE A 7 0.556 4.208 2.512 1.00 72.32 H ATOM 142 HE2 PHE A 7 2.323 1.627 -0.385 1.00 51.35 H ATOM 143 HZ PHE A 7 1.203 1.945 1.785 1.00 42.41 H ATOM 144 N GLY A 8 0.827 7.321 -4.228 1.00 2.11 N ATOM 145 CA GLY A 8 1.085 8.061 -5.449 1.00 42.42 C ATOM 146 C GLY A 8 -0.122 8.852 -5.914 1.00 62.32 C ATOM 147 O GLY A 8 -0.045 10.067 -6.094 1.00 23.04 O ATOM 148 H GLY A 8 0.293 6.500 -4.259 1.00 21.24 H ATOM 149 HA2 GLY A 8 1.905 8.743 -5.278 1.00 13.13 H ATOM 150 HA3 GLY A 8 1.366 7.365 -6.226 1.00 11.20 H TER 151 GLY A 8 ENDMDL MODEL 11 ATOM 1 N GLY A 1 1.730 -1.477 -1.686 1.00 74.34 N ATOM 2 CA GLY A 1 2.082 -0.102 -1.386 1.00 51.23 C ATOM 3 C GLY A 1 1.440 0.883 -2.343 1.00 14.11 C ATOM 4 O GLY A 1 0.401 1.469 -2.036 1.00 61.45 O ATOM 5 H1 GLY A 1 1.597 -2.118 -0.956 1.00 51.42 H ATOM 6 HA2 GLY A 1 1.763 0.129 -0.381 1.00 23.23 H ATOM 7 HA3 GLY A 1 3.155 0.004 -1.446 1.00 62.03 H ATOM 8 N TRP A 2 2.059 1.068 -3.503 1.00 73.52 N ATOM 9 CA TRP A 2 1.541 1.990 -4.507 1.00 43.51 C ATOM 10 C TRP A 2 0.624 1.269 -5.488 1.00 53.21 C ATOM 11 O TRP A 2 0.573 1.608 -6.671 1.00 22.13 O ATOM 12 CB TRP A 2 2.694 2.654 -5.262 1.00 3.21 C ATOM 13 CG TRP A 2 3.722 3.265 -4.358 1.00 50.42 C ATOM 14 CD1 TRP A 2 4.525 2.610 -3.469 1.00 42.11 C ATOM 15 CD2 TRP A 2 4.055 4.654 -4.255 1.00 11.12 C ATOM 16 NE1 TRP A 2 5.337 3.508 -2.819 1.00 64.21 N ATOM 17 CE2 TRP A 2 5.069 4.768 -3.284 1.00 0.12 C ATOM 18 CE3 TRP A 2 3.597 5.812 -4.889 1.00 73.22 C ATOM 19 CZ2 TRP A 2 5.629 5.994 -2.934 1.00 23.34 C ATOM 20 CZ3 TRP A 2 4.154 7.027 -4.540 1.00 54.43 C ATOM 21 CH2 TRP A 2 5.162 7.111 -3.571 1.00 34.15 C ATOM 22 H TRP A 2 2.884 0.572 -3.690 1.00 35.53 H ATOM 23 HA TRP A 2 0.973 2.752 -3.994 1.00 40.31 H ATOM 24 HB2 TRP A 2 3.187 1.915 -5.876 1.00 4.34 H ATOM 25 HB3 TRP A 2 2.298 3.436 -5.894 1.00 61.31 H ATOM 26 HD1 TRP A 2 4.511 1.543 -3.310 1.00 25.24 H ATOM 27 HE1 TRP A 2 6.002 3.281 -2.135 1.00 43.40 H ATOM 28 HE3 TRP A 2 2.821 5.768 -5.639 1.00 73.22 H ATOM 29 HZ2 TRP A 2 6.407 6.074 -2.189 1.00 4.45 H ATOM 30 HZ3 TRP A 2 3.812 7.933 -5.020 1.00 12.04 H ATOM 31 HH2 TRP A 2 5.567 8.081 -3.329 1.00 45.14 H ATOM 32 N LYS A 3 -0.101 0.273 -4.990 1.00 53.14 N ATOM 33 CA LYS A 3 -1.019 -0.496 -5.822 1.00 52.25 C ATOM 34 C LYS A 3 -1.884 0.427 -6.675 1.00 13.24 C ATOM 35 O LYS A 3 -2.085 0.182 -7.864 1.00 73.21 O ATOM 36 CB LYS A 3 -1.909 -1.384 -4.950 1.00 23.22 C ATOM 37 CG LYS A 3 -2.467 -0.674 -3.729 1.00 53.42 C ATOM 38 CD LYS A 3 -2.046 -1.362 -2.442 1.00 30.13 C ATOM 39 CE LYS A 3 -2.702 -2.727 -2.299 1.00 65.13 C ATOM 40 NZ LYS A 3 -3.978 -2.653 -1.536 1.00 2.43 N ATOM 41 H LYS A 3 -0.018 0.050 -4.039 1.00 45.01 H ATOM 42 HA LYS A 3 -0.430 -1.122 -6.475 1.00 50.45 H ATOM 43 HB2 LYS A 3 -2.737 -1.739 -5.545 1.00 14.40 H ATOM 44 HB3 LYS A 3 -1.330 -2.232 -4.613 1.00 61.31 H ATOM 45 HG2 LYS A 3 -2.103 0.343 -3.717 1.00 63.31 H ATOM 46 HG3 LYS A 3 -3.547 -0.670 -3.788 1.00 65.35 H ATOM 47 HD2 LYS A 3 -0.974 -1.489 -2.446 1.00 24.13 H ATOM 48 HD3 LYS A 3 -2.334 -0.745 -1.603 1.00 11.43 H ATOM 49 HE2 LYS A 3 -2.904 -3.119 -3.284 1.00 62.41 H ATOM 50 HE3 LYS A 3 -2.020 -3.387 -1.782 1.00 53.32 H ATOM 51 HZ1 LYS A 3 -4.489 -3.556 -1.604 1.00 4.31 H ATOM 52 HZ2 LYS A 3 -4.580 -1.896 -1.919 1.00 43.03 H ATOM 53 HZ3 LYS A 3 -3.784 -2.451 -0.534 1.00 63.02 H ATOM 54 N ARG A 4 -2.392 1.490 -6.059 1.00 35.32 N ATOM 55 CA ARG A 4 -3.236 2.449 -6.762 1.00 4.45 C ATOM 56 C ARG A 4 -2.671 3.862 -6.638 1.00 61.44 C ATOM 57 O ARG A 4 -1.876 4.299 -7.471 1.00 13.22 O ATOM 58 CB ARG A 4 -4.661 2.409 -6.209 1.00 34.34 C ATOM 59 CG ARG A 4 -4.750 1.867 -4.791 1.00 43.21 C ATOM 60 CD ARG A 4 -6.183 1.868 -4.283 1.00 2.44 C ATOM 61 NE ARG A 4 -6.910 0.670 -4.693 1.00 53.42 N ATOM 62 CZ ARG A 4 -8.122 0.357 -4.248 1.00 2.54 C ATOM 63 NH1 ARG A 4 -8.739 1.150 -3.382 1.00 44.10 N ATOM 64 NH2 ARG A 4 -8.719 -0.750 -4.668 1.00 72.22 N ATOM 65 H ARG A 4 -2.197 1.631 -5.109 1.00 45.40 H ATOM 66 HA ARG A 4 -3.256 2.172 -7.805 1.00 5.12 H ATOM 67 HB2 ARG A 4 -5.066 3.410 -6.213 1.00 41.25 H ATOM 68 HB3 ARG A 4 -5.265 1.782 -6.848 1.00 43.32 H ATOM 69 HG2 ARG A 4 -4.376 0.854 -4.779 1.00 30.13 H ATOM 70 HG3 ARG A 4 -4.146 2.484 -4.142 1.00 62.22 H ATOM 71 HD2 ARG A 4 -6.168 1.917 -3.204 1.00 20.40 H ATOM 72 HD3 ARG A 4 -6.689 2.738 -4.675 1.00 23.14 H ATOM 73 HE ARG A 4 -6.473 0.071 -5.332 1.00 61.43 H ATOM 74 HH11 ARG A 4 -8.291 1.986 -3.064 1.00 74.12 H ATOM 75 HH12 ARG A 4 -9.651 0.913 -3.049 1.00 35.21 H ATOM 76 HH21 ARG A 4 -8.257 -1.350 -5.321 1.00 34.12 H ATOM 77 HH22 ARG A 4 -9.631 -0.985 -4.332 1.00 43.12 H ATOM 78 N LYS A 5 -3.087 4.571 -5.595 1.00 31.45 N ATOM 79 CA LYS A 5 -2.623 5.933 -5.361 1.00 15.05 C ATOM 80 C LYS A 5 -2.220 6.128 -3.902 1.00 71.44 C ATOM 81 O LYS A 5 -1.893 7.238 -3.482 1.00 35.41 O ATOM 82 CB LYS A 5 -3.715 6.937 -5.737 1.00 14.00 C ATOM 83 CG LYS A 5 -4.805 7.072 -4.688 1.00 12.43 C ATOM 84 CD LYS A 5 -5.759 5.890 -4.719 1.00 54.31 C ATOM 85 CE LYS A 5 -5.811 5.180 -3.375 1.00 63.54 C ATOM 86 NZ LYS A 5 -6.347 6.061 -2.302 1.00 12.03 N ATOM 87 H LYS A 5 -3.722 4.167 -4.965 1.00 64.11 H ATOM 88 HA LYS A 5 -1.760 6.102 -5.986 1.00 71.30 H ATOM 89 HB2 LYS A 5 -3.262 7.906 -5.882 1.00 42.41 H ATOM 90 HB3 LYS A 5 -4.174 6.621 -6.663 1.00 41.42 H ATOM 91 HG2 LYS A 5 -4.348 7.126 -3.711 1.00 65.30 H ATOM 92 HG3 LYS A 5 -5.363 7.979 -4.876 1.00 21.10 H ATOM 93 HD2 LYS A 5 -6.750 6.244 -4.964 1.00 42.41 H ATOM 94 HD3 LYS A 5 -5.428 5.191 -5.474 1.00 51.31 H ATOM 95 HE2 LYS A 5 -6.445 4.311 -3.466 1.00 63.13 H ATOM 96 HE3 LYS A 5 -4.811 4.869 -3.109 1.00 12.21 H ATOM 97 HZ1 LYS A 5 -5.891 6.995 -2.345 1.00 34.34 H ATOM 98 HZ2 LYS A 5 -6.163 5.640 -1.369 1.00 32.43 H ATOM 99 HZ3 LYS A 5 -7.373 6.182 -2.418 1.00 53.13 H ATOM 100 N ARG A 6 -2.244 5.042 -3.137 1.00 23.43 N ATOM 101 CA ARG A 6 -1.880 5.094 -1.726 1.00 31.42 C ATOM 102 C ARG A 6 -0.857 6.196 -1.468 1.00 64.34 C ATOM 103 O ARG A 6 -1.044 7.039 -0.591 1.00 21.32 O ATOM 104 CB ARG A 6 -1.318 3.745 -1.272 1.00 52.01 C ATOM 105 CG ARG A 6 -2.230 2.570 -1.583 1.00 32.51 C ATOM 106 CD ARG A 6 -2.369 1.641 -0.387 1.00 34.12 C ATOM 107 NE ARG A 6 -3.655 0.947 -0.379 1.00 45.11 N ATOM 108 CZ ARG A 6 -4.044 0.132 0.595 1.00 63.23 C ATOM 109 NH1 ARG A 6 -3.251 -0.090 1.634 1.00 32.42 N ATOM 110 NH2 ARG A 6 -5.228 -0.463 0.530 1.00 11.11 N ATOM 111 H ARG A 6 -2.513 4.185 -3.530 1.00 1.04 H ATOM 112 HA ARG A 6 -2.774 5.310 -1.160 1.00 71.44 H ATOM 113 HB2 ARG A 6 -0.372 3.578 -1.765 1.00 62.02 H ATOM 114 HB3 ARG A 6 -1.158 3.776 -0.205 1.00 12.21 H ATOM 115 HG2 ARG A 6 -3.208 2.944 -1.849 1.00 5.51 H ATOM 116 HG3 ARG A 6 -1.817 2.015 -2.412 1.00 50.13 H ATOM 117 HD2 ARG A 6 -1.576 0.909 -0.422 1.00 34.10 H ATOM 118 HD3 ARG A 6 -2.280 2.225 0.517 1.00 33.31 H ATOM 119 HE ARG A 6 -4.256 1.097 -1.138 1.00 3.02 H ATOM 120 HH11 ARG A 6 -2.359 0.357 1.686 1.00 43.10 H ATOM 121 HH12 ARG A 6 -3.547 -0.704 2.367 1.00 52.13 H ATOM 122 HH21 ARG A 6 -5.828 -0.298 -0.252 1.00 13.31 H ATOM 123 HH22 ARG A 6 -5.520 -1.076 1.263 1.00 30.32 H ATOM 124 N PHE A 7 0.226 6.182 -2.239 1.00 10.40 N ATOM 125 CA PHE A 7 1.280 7.180 -2.094 1.00 21.54 C ATOM 126 C PHE A 7 1.520 7.913 -3.410 1.00 12.53 C ATOM 127 O PHE A 7 2.204 8.935 -3.448 1.00 10.22 O ATOM 128 CB PHE A 7 2.576 6.517 -1.623 1.00 5.24 C ATOM 129 CG PHE A 7 2.360 5.427 -0.612 1.00 71.14 C ATOM 130 CD1 PHE A 7 1.964 5.731 0.680 1.00 35.21 C ATOM 131 CD2 PHE A 7 2.552 4.098 -0.955 1.00 40.43 C ATOM 132 CE1 PHE A 7 1.764 4.730 1.612 1.00 64.53 C ATOM 133 CE2 PHE A 7 2.354 3.093 -0.028 1.00 30.30 C ATOM 134 CZ PHE A 7 1.959 3.409 1.257 1.00 74.21 C ATOM 135 H PHE A 7 0.318 5.485 -2.921 1.00 64.35 H ATOM 136 HA PHE A 7 0.960 7.893 -1.350 1.00 52.24 H ATOM 137 HB2 PHE A 7 3.081 6.085 -2.473 1.00 62.23 H ATOM 138 HB3 PHE A 7 3.212 7.266 -1.174 1.00 61.41 H ATOM 139 HD1 PHE A 7 1.810 6.763 0.959 1.00 61.01 H ATOM 140 HD2 PHE A 7 2.861 3.850 -1.961 1.00 62.10 H ATOM 141 HE1 PHE A 7 1.455 4.979 2.616 1.00 50.23 H ATOM 142 HE2 PHE A 7 2.507 2.061 -0.309 1.00 52.20 H ATOM 143 HZ PHE A 7 1.804 2.625 1.983 1.00 30.21 H ATOM 144 N GLY A 8 0.951 7.383 -4.488 1.00 50.34 N ATOM 145 CA GLY A 8 1.115 8.000 -5.792 1.00 75.40 C ATOM 146 C GLY A 8 0.765 9.474 -5.784 1.00 52.50 C ATOM 147 O GLY A 8 1.647 10.328 -5.691 1.00 20.22 O ATOM 148 H GLY A 8 0.416 6.567 -4.398 1.00 70.11 H ATOM 149 HA2 GLY A 8 2.141 7.885 -6.106 1.00 3.31 H ATOM 150 HA3 GLY A 8 0.474 7.494 -6.499 1.00 71.45 H TER 151 GLY A 8 ENDMDL MODEL 12 ATOM 1 N GLY A 1 1.790 -1.678 -2.184 1.00 73.03 N ATOM 2 CA GLY A 1 1.671 -0.383 -1.541 1.00 45.51 C ATOM 3 C GLY A 1 1.111 0.677 -2.469 1.00 65.24 C ATOM 4 O GLY A 1 0.129 1.342 -2.142 1.00 0.14 O ATOM 5 H1 GLY A 1 2.195 -1.746 -3.074 1.00 52.13 H ATOM 6 HA2 GLY A 1 1.021 -0.476 -0.684 1.00 70.24 H ATOM 7 HA3 GLY A 1 2.649 -0.070 -1.205 1.00 44.34 H ATOM 8 N TRP A 2 1.738 0.835 -3.630 1.00 11.13 N ATOM 9 CA TRP A 2 1.297 1.823 -4.608 1.00 14.03 C ATOM 10 C TRP A 2 0.350 1.196 -5.625 1.00 52.43 C ATOM 11 O TRP A 2 0.348 1.569 -6.799 1.00 10.23 O ATOM 12 CB TRP A 2 2.502 2.436 -5.324 1.00 34.35 C ATOM 13 CG TRP A 2 3.552 2.949 -4.386 1.00 12.05 C ATOM 14 CD1 TRP A 2 4.299 2.214 -3.511 1.00 23.34 C ATOM 15 CD2 TRP A 2 3.969 4.310 -4.228 1.00 31.40 C ATOM 16 NE1 TRP A 2 5.156 3.035 -2.818 1.00 41.34 N ATOM 17 CE2 TRP A 2 4.974 4.326 -3.241 1.00 33.52 C ATOM 18 CE3 TRP A 2 3.593 5.515 -4.826 1.00 2.40 C ATOM 19 CZ2 TRP A 2 5.604 5.500 -2.840 1.00 11.44 C ATOM 20 CZ3 TRP A 2 4.220 6.681 -4.426 1.00 75.45 C ATOM 21 CH2 TRP A 2 5.216 6.666 -3.442 1.00 2.53 C ATOM 22 H TRP A 2 2.516 0.274 -3.834 1.00 12.41 H ATOM 23 HA TRP A 2 0.771 2.602 -4.076 1.00 53.32 H ATOM 24 HB2 TRP A 2 2.956 1.687 -5.955 1.00 40.33 H ATOM 25 HB3 TRP A 2 2.166 3.262 -5.934 1.00 62.41 H ATOM 26 HD1 TRP A 2 4.217 1.144 -3.390 1.00 12.53 H ATOM 27 HE1 TRP A 2 5.795 2.744 -2.135 1.00 24.34 H ATOM 28 HE3 TRP A 2 2.827 5.547 -5.587 1.00 22.42 H ATOM 29 HZ2 TRP A 2 6.374 5.506 -2.082 1.00 64.13 H ATOM 30 HZ3 TRP A 2 3.942 7.622 -4.877 1.00 51.21 H ATOM 31 HH2 TRP A 2 5.678 7.600 -3.161 1.00 1.33 H ATOM 32 N LYS A 3 -0.455 0.242 -5.169 1.00 42.42 N ATOM 33 CA LYS A 3 -1.408 -0.436 -6.039 1.00 53.33 C ATOM 34 C LYS A 3 -2.186 0.570 -6.882 1.00 70.24 C ATOM 35 O LYS A 3 -2.363 0.380 -8.086 1.00 23.31 O ATOM 36 CB LYS A 3 -2.378 -1.279 -5.208 1.00 51.14 C ATOM 37 CG LYS A 3 -2.909 -0.561 -3.979 1.00 63.33 C ATOM 38 CD LYS A 3 -2.719 -1.394 -2.722 1.00 40.23 C ATOM 39 CE LYS A 3 -1.246 -1.567 -2.386 1.00 21.32 C ATOM 40 NZ LYS A 3 -1.012 -2.749 -1.510 1.00 74.02 N ATOM 41 H LYS A 3 -0.407 -0.011 -4.223 1.00 63.42 H ATOM 42 HA LYS A 3 -0.852 -1.086 -6.698 1.00 15.22 H ATOM 43 HB2 LYS A 3 -3.218 -1.556 -5.829 1.00 1.25 H ATOM 44 HB3 LYS A 3 -1.870 -2.176 -4.884 1.00 42.33 H ATOM 45 HG2 LYS A 3 -2.380 0.373 -3.862 1.00 62.15 H ATOM 46 HG3 LYS A 3 -3.963 -0.366 -4.115 1.00 40.20 H ATOM 47 HD2 LYS A 3 -3.209 -0.900 -1.896 1.00 74.25 H ATOM 48 HD3 LYS A 3 -3.162 -2.368 -2.876 1.00 45.10 H ATOM 49 HE2 LYS A 3 -0.693 -1.695 -3.304 1.00 30.53 H ATOM 50 HE3 LYS A 3 -0.899 -0.679 -1.878 1.00 33.41 H ATOM 51 HZ1 LYS A 3 -0.050 -3.115 -1.653 1.00 62.41 H ATOM 52 HZ2 LYS A 3 -1.695 -3.501 -1.736 1.00 12.34 H ATOM 53 HZ3 LYS A 3 -1.126 -2.482 -0.512 1.00 3.23 H ATOM 54 N ARG A 4 -2.647 1.640 -6.243 1.00 72.22 N ATOM 55 CA ARG A 4 -3.406 2.675 -6.935 1.00 44.10 C ATOM 56 C ARG A 4 -2.759 4.044 -6.742 1.00 22.40 C ATOM 57 O ARG A 4 -1.927 4.468 -7.544 1.00 41.22 O ATOM 58 CB ARG A 4 -4.849 2.705 -6.428 1.00 4.01 C ATOM 59 CG ARG A 4 -5.015 2.130 -5.031 1.00 11.13 C ATOM 60 CD ARG A 4 -6.409 2.394 -4.482 1.00 44.31 C ATOM 61 NE ARG A 4 -7.344 1.327 -4.827 1.00 51.33 N ATOM 62 CZ ARG A 4 -7.345 0.134 -4.245 1.00 22.54 C ATOM 63 NH1 ARG A 4 -6.464 -0.144 -3.293 1.00 14.22 N ATOM 64 NH2 ARG A 4 -8.228 -0.786 -4.613 1.00 41.44 N ATOM 65 H ARG A 4 -2.474 1.735 -5.283 1.00 51.23 H ATOM 66 HA ARG A 4 -3.408 2.437 -7.988 1.00 74.21 H ATOM 67 HB2 ARG A 4 -5.192 3.729 -6.415 1.00 74.00 H ATOM 68 HB3 ARG A 4 -5.467 2.135 -7.104 1.00 61.44 H ATOM 69 HG2 ARG A 4 -4.852 1.063 -5.069 1.00 3.24 H ATOM 70 HG3 ARG A 4 -4.287 2.585 -4.376 1.00 32.15 H ATOM 71 HD2 ARG A 4 -6.349 2.473 -3.407 1.00 3.31 H ATOM 72 HD3 ARG A 4 -6.771 3.325 -4.892 1.00 13.24 H ATOM 73 HE ARG A 4 -8.003 1.511 -5.528 1.00 73.22 H ATOM 74 HH11 ARG A 4 -5.799 0.547 -3.012 1.00 45.22 H ATOM 75 HH12 ARG A 4 -6.468 -1.043 -2.855 1.00 21.02 H ATOM 76 HH21 ARG A 4 -8.893 -0.580 -5.330 1.00 73.14 H ATOM 77 HH22 ARG A 4 -8.228 -1.684 -4.175 1.00 4.55 H ATOM 78 N LYS A 5 -3.147 4.730 -5.673 1.00 0.14 N ATOM 79 CA LYS A 5 -2.606 6.050 -5.372 1.00 44.23 C ATOM 80 C LYS A 5 -2.207 6.153 -3.904 1.00 2.54 C ATOM 81 O LYS A 5 -1.822 7.222 -3.429 1.00 14.41 O ATOM 82 CB LYS A 5 -3.632 7.134 -5.711 1.00 22.14 C ATOM 83 CG LYS A 5 -4.720 7.290 -4.662 1.00 63.02 C ATOM 84 CD LYS A 5 -5.730 6.158 -4.734 1.00 72.54 C ATOM 85 CE LYS A 5 -5.796 5.385 -3.426 1.00 21.20 C ATOM 86 NZ LYS A 5 -7.195 5.024 -3.064 1.00 42.43 N ATOM 87 H LYS A 5 -3.814 4.339 -5.070 1.00 21.53 H ATOM 88 HA LYS A 5 -1.727 6.195 -5.983 1.00 10.25 H ATOM 89 HB2 LYS A 5 -3.119 8.079 -5.811 1.00 53.31 H ATOM 90 HB3 LYS A 5 -4.101 6.887 -6.652 1.00 72.11 H ATOM 91 HG2 LYS A 5 -4.266 7.291 -3.682 1.00 64.34 H ATOM 92 HG3 LYS A 5 -5.231 8.228 -4.825 1.00 14.04 H ATOM 93 HD2 LYS A 5 -6.706 6.570 -4.945 1.00 62.21 H ATOM 94 HD3 LYS A 5 -5.444 5.481 -5.528 1.00 11.51 H ATOM 95 HE2 LYS A 5 -5.215 4.481 -3.527 1.00 72.13 H ATOM 96 HE3 LYS A 5 -5.376 5.996 -2.641 1.00 11.22 H ATOM 97 HZ1 LYS A 5 -7.198 4.210 -2.417 1.00 54.33 H ATOM 98 HZ2 LYS A 5 -7.732 4.776 -3.920 1.00 10.42 H ATOM 99 HZ3 LYS A 5 -7.661 5.828 -2.597 1.00 32.53 H ATOM 100 N ARG A 6 -2.300 5.036 -3.190 1.00 3.20 N ATOM 101 CA ARG A 6 -1.948 5.002 -1.775 1.00 72.25 C ATOM 102 C ARG A 6 -0.870 6.034 -1.458 1.00 31.12 C ATOM 103 O ARG A 6 -1.024 6.847 -0.547 1.00 0.44 O ATOM 104 CB ARG A 6 -1.464 3.605 -1.382 1.00 63.04 C ATOM 105 CG ARG A 6 -1.823 3.214 0.042 1.00 45.30 C ATOM 106 CD ARG A 6 -2.737 2.000 0.073 1.00 73.11 C ATOM 107 NE ARG A 6 -3.471 1.900 1.331 1.00 34.44 N ATOM 108 CZ ARG A 6 -4.552 1.144 1.494 1.00 62.03 C ATOM 109 NH1 ARG A 6 -5.021 0.426 0.482 1.00 1.25 N ATOM 110 NH2 ARG A 6 -5.165 1.105 2.670 1.00 70.12 N ATOM 111 H ARG A 6 -2.613 4.216 -3.625 1.00 23.53 H ATOM 112 HA ARG A 6 -2.835 5.239 -1.207 1.00 72.42 H ATOM 113 HB2 ARG A 6 -1.905 2.882 -2.052 1.00 62.44 H ATOM 114 HB3 ARG A 6 -0.389 3.568 -1.483 1.00 14.52 H ATOM 115 HG2 ARG A 6 -0.916 2.982 0.581 1.00 21.20 H ATOM 116 HG3 ARG A 6 -2.324 4.044 0.517 1.00 3.23 H ATOM 117 HD2 ARG A 6 -3.444 2.078 -0.740 1.00 31.53 H ATOM 118 HD3 ARG A 6 -2.138 1.111 -0.056 1.00 3.25 H ATOM 119 HE ARG A 6 -3.142 2.422 2.092 1.00 70.21 H ATOM 120 HH11 ARG A 6 -4.560 0.453 -0.405 1.00 33.25 H ATOM 121 HH12 ARG A 6 -5.834 -0.143 0.608 1.00 41.03 H ATOM 122 HH21 ARG A 6 -4.814 1.645 3.435 1.00 72.55 H ATOM 123 HH22 ARG A 6 -5.978 0.536 2.791 1.00 41.21 H ATOM 124 N PHE A 7 0.221 5.994 -2.215 1.00 41.22 N ATOM 125 CA PHE A 7 1.326 6.925 -2.014 1.00 33.33 C ATOM 126 C PHE A 7 1.629 7.695 -3.296 1.00 31.33 C ATOM 127 O PHE A 7 2.365 8.680 -3.281 1.00 51.54 O ATOM 128 CB PHE A 7 2.575 6.173 -1.549 1.00 40.40 C ATOM 129 CG PHE A 7 2.282 5.068 -0.576 1.00 22.34 C ATOM 130 CD1 PHE A 7 1.884 5.355 0.720 1.00 33.00 C ATOM 131 CD2 PHE A 7 2.405 3.741 -0.956 1.00 51.11 C ATOM 132 CE1 PHE A 7 1.614 4.339 1.618 1.00 44.41 C ATOM 133 CE2 PHE A 7 2.137 2.721 -0.063 1.00 15.23 C ATOM 134 CZ PHE A 7 1.740 3.021 1.226 1.00 72.13 C ATOM 135 H PHE A 7 0.285 5.322 -2.926 1.00 43.43 H ATOM 136 HA PHE A 7 1.032 7.626 -1.248 1.00 30.32 H ATOM 137 HB2 PHE A 7 3.065 5.738 -2.407 1.00 54.11 H ATOM 138 HB3 PHE A 7 3.247 6.869 -1.071 1.00 4.35 H ATOM 139 HD1 PHE A 7 1.784 6.385 1.028 1.00 41.50 H ATOM 140 HD2 PHE A 7 2.715 3.506 -1.965 1.00 21.54 H ATOM 141 HE1 PHE A 7 1.304 4.576 2.625 1.00 41.34 H ATOM 142 HE2 PHE A 7 2.236 1.692 -0.373 1.00 34.51 H ATOM 143 HZ PHE A 7 1.530 2.226 1.925 1.00 23.35 H ATOM 144 N GLY A 8 1.056 7.236 -4.404 1.00 72.13 N ATOM 145 CA GLY A 8 1.277 7.892 -5.680 1.00 13.02 C ATOM 146 C GLY A 8 0.135 8.811 -6.064 1.00 54.44 C ATOM 147 O GLY A 8 -0.271 8.856 -7.226 1.00 4.31 O ATOM 148 H GLY A 8 0.478 6.445 -4.356 1.00 2.54 H ATOM 149 HA2 GLY A 8 2.187 8.470 -5.622 1.00 12.21 H ATOM 150 HA3 GLY A 8 1.389 7.138 -6.445 1.00 23.33 H TER 151 GLY A 8 ENDMDL MODEL 13 ATOM 1 N GLY A 1 1.747 -0.359 -0.374 1.00 43.40 N ATOM 2 CA GLY A 1 2.443 -0.165 -1.633 1.00 23.24 C ATOM 3 C GLY A 1 1.713 0.787 -2.559 1.00 1.24 C ATOM 4 O GLY A 1 0.612 1.242 -2.249 1.00 0.21 O ATOM 5 H1 GLY A 1 1.913 -1.166 0.156 1.00 33.31 H ATOM 6 HA2 GLY A 1 3.428 0.230 -1.430 1.00 73.41 H ATOM 7 HA3 GLY A 1 2.544 -1.121 -2.125 1.00 63.15 H ATOM 8 N TRP A 2 2.327 1.091 -3.696 1.00 63.43 N ATOM 9 CA TRP A 2 1.729 1.997 -4.670 1.00 12.14 C ATOM 10 C TRP A 2 0.902 1.227 -5.694 1.00 3.51 C ATOM 11 O TRP A 2 0.819 1.617 -6.859 1.00 13.33 O ATOM 12 CB TRP A 2 2.815 2.808 -5.378 1.00 25.41 C ATOM 13 CG TRP A 2 3.761 3.487 -4.434 1.00 34.35 C ATOM 14 CD1 TRP A 2 4.631 2.884 -3.570 1.00 53.24 C ATOM 15 CD2 TRP A 2 3.929 4.897 -4.256 1.00 52.42 C ATOM 16 NE1 TRP A 2 5.330 3.835 -2.867 1.00 54.51 N ATOM 17 CE2 TRP A 2 4.918 5.078 -3.270 1.00 2.30 C ATOM 18 CE3 TRP A 2 3.342 6.025 -4.836 1.00 14.21 C ATOM 19 CZ2 TRP A 2 5.330 6.341 -2.852 1.00 60.10 C ATOM 20 CZ3 TRP A 2 3.751 7.278 -4.420 1.00 23.42 C ATOM 21 CH2 TRP A 2 4.738 7.428 -3.436 1.00 61.44 C ATOM 22 H TRP A 2 3.204 0.696 -3.887 1.00 23.22 H ATOM 23 HA TRP A 2 1.079 2.674 -4.135 1.00 33.22 H ATOM 24 HB2 TRP A 2 3.392 2.150 -6.011 1.00 20.54 H ATOM 25 HB3 TRP A 2 2.348 3.568 -5.987 1.00 33.23 H ATOM 26 HD1 TRP A 2 4.741 1.816 -3.465 1.00 72.34 H ATOM 27 HE1 TRP A 2 6.013 3.653 -2.188 1.00 62.13 H ATOM 28 HE3 TRP A 2 2.580 5.930 -5.595 1.00 55.13 H ATOM 29 HZ2 TRP A 2 6.090 6.473 -2.096 1.00 11.04 H ATOM 30 HZ3 TRP A 2 3.308 8.161 -4.856 1.00 63.01 H ATOM 31 HH2 TRP A 2 5.027 8.425 -3.142 1.00 71.30 H ATOM 32 N LYS A 3 0.292 0.133 -5.253 1.00 62.51 N ATOM 33 CA LYS A 3 -0.530 -0.692 -6.131 1.00 42.11 C ATOM 34 C LYS A 3 -1.481 0.171 -6.954 1.00 71.21 C ATOM 35 O LYS A 3 -1.635 -0.033 -8.158 1.00 64.54 O ATOM 36 CB LYS A 3 -1.327 -1.709 -5.311 1.00 2.10 C ATOM 37 CG LYS A 3 -1.937 -1.127 -4.048 1.00 33.03 C ATOM 38 CD LYS A 3 -2.810 -2.143 -3.331 1.00 32.50 C ATOM 39 CE LYS A 3 -2.466 -2.229 -1.852 1.00 14.12 C ATOM 40 NZ LYS A 3 -3.166 -3.361 -1.184 1.00 75.01 N ATOM 41 H LYS A 3 0.397 -0.127 -4.313 1.00 73.23 H ATOM 42 HA LYS A 3 0.129 -1.221 -6.802 1.00 44.15 H ATOM 43 HB2 LYS A 3 -2.125 -2.101 -5.924 1.00 23.52 H ATOM 44 HB3 LYS A 3 -0.670 -2.519 -5.028 1.00 0.00 H ATOM 45 HG2 LYS A 3 -1.143 -0.819 -3.384 1.00 14.22 H ATOM 46 HG3 LYS A 3 -2.541 -0.270 -4.312 1.00 61.43 H ATOM 47 HD2 LYS A 3 -3.845 -1.852 -3.432 1.00 0.40 H ATOM 48 HD3 LYS A 3 -2.662 -3.114 -3.783 1.00 34.22 H ATOM 49 HE2 LYS A 3 -1.401 -2.366 -1.751 1.00 2.14 H ATOM 50 HE3 LYS A 3 -2.757 -1.305 -1.374 1.00 54.23 H ATOM 51 HZ1 LYS A 3 -2.477 -3.977 -0.708 1.00 60.03 H ATOM 52 HZ2 LYS A 3 -3.689 -3.922 -1.887 1.00 54.30 H ATOM 53 HZ3 LYS A 3 -3.838 -2.999 -0.477 1.00 61.14 H ATOM 54 N ARG A 4 -2.116 1.136 -6.297 1.00 33.41 N ATOM 55 CA ARG A 4 -3.052 2.029 -6.968 1.00 52.34 C ATOM 56 C ARG A 4 -2.659 3.488 -6.755 1.00 15.24 C ATOM 57 O ARG A 4 -1.914 4.064 -7.547 1.00 4.43 O ATOM 58 CB ARG A 4 -4.474 1.792 -6.456 1.00 1.33 C ATOM 59 CG ARG A 4 -4.526 1.212 -5.052 1.00 32.12 C ATOM 60 CD ARG A 4 -5.841 1.539 -4.362 1.00 54.53 C ATOM 61 NE ARG A 4 -6.978 0.900 -5.020 1.00 11.23 N ATOM 62 CZ ARG A 4 -8.244 1.145 -4.701 1.00 32.32 C ATOM 63 NH1 ARG A 4 -8.534 2.010 -3.739 1.00 42.10 N ATOM 64 NH2 ARG A 4 -9.224 0.523 -5.345 1.00 2.21 N ATOM 65 H ARG A 4 -1.952 1.249 -5.337 1.00 73.13 H ATOM 66 HA ARG A 4 -3.019 1.811 -8.025 1.00 52.13 H ATOM 67 HB2 ARG A 4 -5.005 2.733 -6.452 1.00 44.13 H ATOM 68 HB3 ARG A 4 -4.975 1.108 -7.124 1.00 1.04 H ATOM 69 HG2 ARG A 4 -4.422 0.139 -5.112 1.00 24.42 H ATOM 70 HG3 ARG A 4 -3.713 1.623 -4.472 1.00 53.11 H ATOM 71 HD2 ARG A 4 -5.791 1.198 -3.339 1.00 60.12 H ATOM 72 HD3 ARG A 4 -5.983 2.610 -4.378 1.00 34.33 H ATOM 73 HE ARG A 4 -6.787 0.257 -5.733 1.00 42.14 H ATOM 74 HH11 ARG A 4 -7.798 2.481 -3.253 1.00 22.43 H ATOM 75 HH12 ARG A 4 -9.488 2.193 -3.502 1.00 11.33 H ATOM 76 HH21 ARG A 4 -9.009 -0.130 -6.071 1.00 13.33 H ATOM 77 HH22 ARG A 4 -10.176 0.708 -5.104 1.00 71.32 H ATOM 78 N LYS A 5 -3.167 4.081 -5.679 1.00 30.40 N ATOM 79 CA LYS A 5 -2.870 5.472 -5.359 1.00 62.31 C ATOM 80 C LYS A 5 -2.490 5.623 -3.889 1.00 54.05 C ATOM 81 O LYS A 5 -2.308 6.737 -3.397 1.00 61.44 O ATOM 82 CB LYS A 5 -4.075 6.359 -5.680 1.00 21.14 C ATOM 83 CG LYS A 5 -5.379 5.848 -5.093 1.00 15.00 C ATOM 84 CD LYS A 5 -5.512 6.214 -3.624 1.00 45.11 C ATOM 85 CE LYS A 5 -5.346 7.710 -3.405 1.00 44.15 C ATOM 86 NZ LYS A 5 -6.327 8.239 -2.418 1.00 72.42 N ATOM 87 H LYS A 5 -3.756 3.569 -5.085 1.00 22.23 H ATOM 88 HA LYS A 5 -2.034 5.781 -5.968 1.00 61.10 H ATOM 89 HB2 LYS A 5 -3.892 7.349 -5.289 1.00 1.00 H ATOM 90 HB3 LYS A 5 -4.187 6.420 -6.753 1.00 24.33 H ATOM 91 HG2 LYS A 5 -6.204 6.284 -5.637 1.00 41.50 H ATOM 92 HG3 LYS A 5 -5.411 4.772 -5.191 1.00 4.12 H ATOM 93 HD2 LYS A 5 -6.489 5.917 -3.274 1.00 40.03 H ATOM 94 HD3 LYS A 5 -4.751 5.690 -3.062 1.00 13.21 H ATOM 95 HE2 LYS A 5 -4.347 7.899 -3.043 1.00 43.14 H ATOM 96 HE3 LYS A 5 -5.488 8.216 -4.349 1.00 12.32 H ATOM 97 HZ1 LYS A 5 -6.225 9.270 -2.329 1.00 23.52 H ATOM 98 HZ2 LYS A 5 -6.167 7.803 -1.487 1.00 73.24 H ATOM 99 HZ3 LYS A 5 -7.296 8.023 -2.727 1.00 73.43 H ATOM 100 N ARG A 6 -2.372 4.496 -3.195 1.00 11.44 N ATOM 101 CA ARG A 6 -2.014 4.504 -1.781 1.00 41.44 C ATOM 102 C ARG A 6 -1.133 5.705 -1.451 1.00 3.43 C ATOM 103 O ARG A 6 -1.424 6.468 -0.529 1.00 34.32 O ATOM 104 CB ARG A 6 -1.290 3.209 -1.409 1.00 42.25 C ATOM 105 CG ARG A 6 -1.619 2.707 -0.013 1.00 72.54 C ATOM 106 CD ARG A 6 -2.425 1.418 -0.061 1.00 73.12 C ATOM 107 NE ARG A 6 -3.063 1.124 1.219 1.00 32.42 N ATOM 108 CZ ARG A 6 -4.091 0.292 1.355 1.00 45.45 C ATOM 109 NH1 ARG A 6 -4.593 -0.324 0.294 1.00 51.13 N ATOM 110 NH2 ARG A 6 -4.617 0.076 2.553 1.00 21.12 N ATOM 111 H ARG A 6 -2.530 3.639 -3.643 1.00 12.14 H ATOM 112 HA ARG A 6 -2.926 4.574 -1.208 1.00 73.42 H ATOM 113 HB2 ARG A 6 -1.563 2.441 -2.118 1.00 41.33 H ATOM 114 HB3 ARG A 6 -0.225 3.378 -1.466 1.00 20.40 H ATOM 115 HG2 ARG A 6 -0.698 2.522 0.520 1.00 51.15 H ATOM 116 HG3 ARG A 6 -2.192 3.461 0.505 1.00 75.15 H ATOM 117 HD2 ARG A 6 -3.189 1.514 -0.819 1.00 5.21 H ATOM 118 HD3 ARG A 6 -1.763 0.605 -0.319 1.00 34.44 H ATOM 119 HE ARG A 6 -2.708 1.568 2.016 1.00 3.33 H ATOM 120 HH11 ARG A 6 -4.198 -0.163 -0.611 1.00 22.54 H ATOM 121 HH12 ARG A 6 -5.366 -0.950 0.399 1.00 61.35 H ATOM 122 HH21 ARG A 6 -4.241 0.539 3.355 1.00 25.43 H ATOM 123 HH22 ARG A 6 -5.390 -0.550 2.654 1.00 1.50 H ATOM 124 N PHE A 7 -0.053 5.867 -2.209 1.00 14.42 N ATOM 125 CA PHE A 7 0.872 6.975 -1.996 1.00 35.54 C ATOM 126 C PHE A 7 1.028 7.805 -3.266 1.00 64.44 C ATOM 127 O PHE A 7 1.579 8.905 -3.239 1.00 33.55 O ATOM 128 CB PHE A 7 2.236 6.448 -1.545 1.00 73.24 C ATOM 129 CG PHE A 7 2.147 5.290 -0.592 1.00 54.25 C ATOM 130 CD1 PHE A 7 1.693 5.476 0.703 1.00 12.04 C ATOM 131 CD2 PHE A 7 2.516 4.016 -0.993 1.00 0.23 C ATOM 132 CE1 PHE A 7 1.611 4.413 1.582 1.00 34.34 C ATOM 133 CE2 PHE A 7 2.436 2.949 -0.118 1.00 74.22 C ATOM 134 CZ PHE A 7 1.981 3.147 1.171 1.00 43.42 C ATOM 135 H PHE A 7 0.126 5.226 -2.929 1.00 13.43 H ATOM 136 HA PHE A 7 0.463 7.602 -1.218 1.00 71.44 H ATOM 137 HB2 PHE A 7 2.791 6.122 -2.412 1.00 24.44 H ATOM 138 HB3 PHE A 7 2.776 7.243 -1.054 1.00 61.23 H ATOM 139 HD1 PHE A 7 1.401 6.465 1.027 1.00 65.34 H ATOM 140 HD2 PHE A 7 2.872 3.860 -2.002 1.00 35.24 H ATOM 141 HE1 PHE A 7 1.255 4.570 2.590 1.00 52.43 H ATOM 142 HE2 PHE A 7 2.726 1.961 -0.444 1.00 23.04 H ATOM 143 HZ PHE A 7 1.918 2.315 1.856 1.00 43.12 H ATOM 144 N GLY A 8 0.540 7.268 -4.381 1.00 24.02 N ATOM 145 CA GLY A 8 0.636 7.971 -5.647 1.00 4.34 C ATOM 146 C GLY A 8 -0.693 8.548 -6.092 1.00 21.31 C ATOM 147 O GLY A 8 -0.736 9.575 -6.768 1.00 50.31 O ATOM 148 H GLY A 8 0.112 6.387 -4.343 1.00 53.31 H ATOM 149 HA2 GLY A 8 1.350 8.775 -5.546 1.00 1.20 H ATOM 150 HA3 GLY A 8 0.988 7.283 -6.402 1.00 1.54 H TER 151 GLY A 8 ENDMDL MODEL 14 ATOM 1 N GLY A 1 1.276 -0.563 -0.503 1.00 0.22 N ATOM 2 CA GLY A 1 2.023 -0.368 -1.732 1.00 13.01 C ATOM 3 C GLY A 1 1.375 0.650 -2.649 1.00 14.32 C ATOM 4 O GLY A 1 0.292 1.158 -2.356 1.00 42.33 O ATOM 5 H1 GLY A 1 1.753 -0.648 0.350 1.00 55.25 H ATOM 6 HA2 GLY A 1 3.019 -0.033 -1.486 1.00 1.34 H ATOM 7 HA3 GLY A 1 2.090 -1.312 -2.252 1.00 72.22 H ATOM 8 N TRP A 2 2.038 0.950 -3.759 1.00 51.25 N ATOM 9 CA TRP A 2 1.520 1.916 -4.721 1.00 40.55 C ATOM 10 C TRP A 2 0.682 1.224 -5.791 1.00 11.53 C ATOM 11 O TRP A 2 0.655 1.651 -6.945 1.00 54.13 O ATOM 12 CB TRP A 2 2.671 2.683 -5.375 1.00 52.40 C ATOM 13 CG TRP A 2 3.625 3.281 -4.385 1.00 74.50 C ATOM 14 CD1 TRP A 2 4.434 2.605 -3.517 1.00 11.24 C ATOM 15 CD2 TRP A 2 3.866 4.674 -4.161 1.00 23.20 C ATOM 16 NE1 TRP A 2 5.164 3.495 -2.766 1.00 62.11 N ATOM 17 CE2 TRP A 2 4.835 4.770 -3.143 1.00 1.12 C ATOM 18 CE3 TRP A 2 3.361 5.849 -4.723 1.00 15.25 C ATOM 19 CZ2 TRP A 2 5.305 5.995 -2.676 1.00 73.21 C ATOM 20 CZ3 TRP A 2 3.827 7.064 -4.258 1.00 24.00 C ATOM 21 CH2 TRP A 2 4.792 7.130 -3.244 1.00 20.53 C ATOM 22 H TRP A 2 2.897 0.512 -3.937 1.00 75.34 H ATOM 23 HA TRP A 2 0.894 2.614 -4.185 1.00 34.21 H ATOM 24 HB2 TRP A 2 3.228 2.012 -6.011 1.00 33.41 H ATOM 25 HB3 TRP A 2 2.265 3.486 -5.974 1.00 35.15 H ATOM 26 HD1 TRP A 2 4.481 1.530 -3.441 1.00 32.33 H ATOM 27 HE1 TRP A 2 5.816 3.255 -2.075 1.00 23.54 H ATOM 28 HE3 TRP A 2 2.617 5.819 -5.505 1.00 52.22 H ATOM 29 HZ2 TRP A 2 6.048 6.062 -1.895 1.00 44.04 H ATOM 30 HZ3 TRP A 2 3.448 7.983 -4.680 1.00 13.13 H ATOM 31 HH2 TRP A 2 5.128 8.100 -2.912 1.00 35.12 H ATOM 32 N LYS A 3 -0.001 0.154 -5.400 1.00 14.11 N ATOM 33 CA LYS A 3 -0.842 -0.597 -6.324 1.00 73.04 C ATOM 34 C LYS A 3 -1.719 0.341 -7.147 1.00 53.42 C ATOM 35 O LYS A 3 -1.849 0.180 -8.361 1.00 3.31 O ATOM 36 CB LYS A 3 -1.719 -1.590 -5.557 1.00 42.24 C ATOM 37 CG LYS A 3 -2.332 -1.010 -4.295 1.00 33.13 C ATOM 38 CD LYS A 3 -3.281 -1.995 -3.633 1.00 34.01 C ATOM 39 CE LYS A 3 -3.569 -1.609 -2.190 1.00 44.31 C ATOM 40 NZ LYS A 3 -2.797 -2.443 -1.228 1.00 63.43 N ATOM 41 H LYS A 3 0.061 -0.138 -4.466 1.00 13.43 H ATOM 42 HA LYS A 3 -0.195 -1.144 -6.993 1.00 5.51 H ATOM 43 HB2 LYS A 3 -2.519 -1.919 -6.204 1.00 13.35 H ATOM 44 HB3 LYS A 3 -1.117 -2.444 -5.281 1.00 10.42 H ATOM 45 HG2 LYS A 3 -1.542 -0.766 -3.600 1.00 71.42 H ATOM 46 HG3 LYS A 3 -2.879 -0.113 -4.550 1.00 60.30 H ATOM 47 HD2 LYS A 3 -4.211 -2.010 -4.181 1.00 55.35 H ATOM 48 HD3 LYS A 3 -2.835 -2.979 -3.651 1.00 70.31 H ATOM 49 HE2 LYS A 3 -3.302 -0.573 -2.049 1.00 12.43 H ATOM 50 HE3 LYS A 3 -4.624 -1.738 -2.000 1.00 21.21 H ATOM 51 HZ1 LYS A 3 -2.510 -3.336 -1.679 1.00 12.31 H ATOM 52 HZ2 LYS A 3 -3.380 -2.660 -0.395 1.00 13.31 H ATOM 53 HZ3 LYS A 3 -1.944 -1.935 -0.918 1.00 15.13 H ATOM 54 N ARG A 4 -2.318 1.322 -6.479 1.00 72.23 N ATOM 55 CA ARG A 4 -3.182 2.286 -7.149 1.00 75.03 C ATOM 56 C ARG A 4 -2.715 3.714 -6.881 1.00 61.52 C ATOM 57 O ARG A 4 -1.915 4.269 -7.635 1.00 30.51 O ATOM 58 CB ARG A 4 -4.630 2.116 -6.683 1.00 64.13 C ATOM 59 CG ARG A 4 -4.755 1.500 -5.299 1.00 54.14 C ATOM 60 CD ARG A 4 -6.063 1.894 -4.631 1.00 74.03 C ATOM 61 NE ARG A 4 -7.160 1.007 -5.010 1.00 12.11 N ATOM 62 CZ ARG A 4 -7.289 -0.236 -4.559 1.00 55.32 C ATOM 63 NH1 ARG A 4 -6.395 -0.736 -3.718 1.00 11.43 N ATOM 64 NH2 ARG A 4 -8.315 -0.981 -4.950 1.00 34.11 N ATOM 65 H ARG A 4 -2.176 1.398 -5.513 1.00 13.45 H ATOM 66 HA ARG A 4 -3.131 2.096 -8.211 1.00 2.30 H ATOM 67 HB2 ARG A 4 -5.107 3.085 -6.667 1.00 24.15 H ATOM 68 HB3 ARG A 4 -5.148 1.480 -7.385 1.00 15.41 H ATOM 69 HG2 ARG A 4 -4.720 0.424 -5.390 1.00 1.44 H ATOM 70 HG3 ARG A 4 -3.932 1.840 -4.689 1.00 33.44 H ATOM 71 HD2 ARG A 4 -5.932 1.851 -3.560 1.00 53.43 H ATOM 72 HD3 ARG A 4 -6.311 2.903 -4.923 1.00 54.44 H ATOM 73 HE ARG A 4 -7.833 1.356 -5.631 1.00 5.31 H ATOM 74 HH11 ARG A 4 -5.622 -0.176 -3.421 1.00 3.12 H ATOM 75 HH12 ARG A 4 -6.495 -1.671 -3.379 1.00 34.42 H ATOM 76 HH21 ARG A 4 -8.992 -0.608 -5.584 1.00 3.40 H ATOM 77 HH22 ARG A 4 -8.412 -1.916 -4.610 1.00 64.23 H ATOM 78 N LYS A 5 -3.220 4.303 -5.803 1.00 3.22 N ATOM 79 CA LYS A 5 -2.854 5.666 -5.433 1.00 73.54 C ATOM 80 C LYS A 5 -2.510 5.753 -3.950 1.00 12.30 C ATOM 81 O LYS A 5 -2.280 6.840 -3.420 1.00 1.40 O ATOM 82 CB LYS A 5 -3.998 6.629 -5.760 1.00 61.44 C ATOM 83 CG LYS A 5 -5.346 6.176 -5.225 1.00 44.45 C ATOM 84 CD LYS A 5 -5.500 6.508 -3.751 1.00 22.44 C ATOM 85 CE LYS A 5 -5.257 7.985 -3.483 1.00 25.14 C ATOM 86 NZ LYS A 5 -6.220 8.534 -2.489 1.00 4.34 N ATOM 87 H LYS A 5 -3.853 3.809 -5.241 1.00 13.14 H ATOM 88 HA LYS A 5 -1.985 5.944 -6.009 1.00 61.35 H ATOM 89 HB2 LYS A 5 -3.771 7.595 -5.335 1.00 51.23 H ATOM 90 HB3 LYS A 5 -4.075 6.726 -6.834 1.00 5.02 H ATOM 91 HG2 LYS A 5 -6.128 6.674 -5.779 1.00 0.42 H ATOM 92 HG3 LYS A 5 -5.434 5.107 -5.356 1.00 52.23 H ATOM 93 HD2 LYS A 5 -6.502 6.257 -3.437 1.00 33.01 H ATOM 94 HD3 LYS A 5 -4.787 5.925 -3.183 1.00 51.55 H ATOM 95 HE2 LYS A 5 -4.253 8.108 -3.105 1.00 51.41 H ATOM 96 HE3 LYS A 5 -5.361 8.527 -4.411 1.00 11.43 H ATOM 97 HZ1 LYS A 5 -5.711 9.066 -1.754 1.00 40.31 H ATOM 98 HZ2 LYS A 5 -6.748 7.760 -2.038 1.00 31.01 H ATOM 99 HZ3 LYS A 5 -6.894 9.171 -2.959 1.00 11.03 H ATOM 100 N ARG A 6 -2.476 4.603 -3.286 1.00 64.51 N ATOM 101 CA ARG A 6 -2.159 4.550 -1.864 1.00 10.21 C ATOM 102 C ARG A 6 -1.222 5.689 -1.473 1.00 42.23 C ATOM 103 O ARG A 6 -1.497 6.440 -0.538 1.00 0.55 O ATOM 104 CB ARG A 6 -1.520 3.206 -1.511 1.00 60.21 C ATOM 105 CG ARG A 6 -1.891 2.700 -0.127 1.00 20.23 C ATOM 106 CD ARG A 6 -2.238 1.219 -0.149 1.00 51.43 C ATOM 107 NE ARG A 6 -2.287 0.648 1.194 1.00 54.21 N ATOM 108 CZ ARG A 6 -3.324 0.784 2.013 1.00 54.41 C ATOM 109 NH1 ARG A 6 -4.393 1.468 1.627 1.00 4.51 N ATOM 110 NH2 ARG A 6 -3.294 0.235 3.220 1.00 13.14 N ATOM 111 H ARG A 6 -2.668 3.769 -3.764 1.00 34.33 H ATOM 112 HA ARG A 6 -3.082 4.655 -1.314 1.00 54.13 H ATOM 113 HB2 ARG A 6 -1.835 2.469 -2.236 1.00 0.33 H ATOM 114 HB3 ARG A 6 -0.446 3.308 -1.557 1.00 53.34 H ATOM 115 HG2 ARG A 6 -1.054 2.851 0.538 1.00 4.54 H ATOM 116 HG3 ARG A 6 -2.744 3.256 0.233 1.00 71.44 H ATOM 117 HD2 ARG A 6 -3.203 1.097 -0.618 1.00 33.33 H ATOM 118 HD3 ARG A 6 -1.490 0.697 -0.726 1.00 25.23 H ATOM 119 HE ARG A 6 -1.508 0.139 1.499 1.00 35.33 H ATOM 120 HH11 ARG A 6 -4.418 1.883 0.717 1.00 34.45 H ATOM 121 HH12 ARG A 6 -5.173 1.569 2.245 1.00 24.53 H ATOM 122 HH21 ARG A 6 -2.491 -0.282 3.515 1.00 42.45 H ATOM 123 HH22 ARG A 6 -4.075 0.338 3.836 1.00 41.21 H ATOM 124 N PHE A 7 -0.113 5.811 -2.196 1.00 73.32 N ATOM 125 CA PHE A 7 0.866 6.857 -1.925 1.00 33.25 C ATOM 126 C PHE A 7 1.106 7.712 -3.165 1.00 50.20 C ATOM 127 O PHE A 7 1.716 8.778 -3.089 1.00 61.21 O ATOM 128 CB PHE A 7 2.184 6.241 -1.453 1.00 24.41 C ATOM 129 CG PHE A 7 2.003 5.063 -0.538 1.00 14.42 C ATOM 130 CD1 PHE A 7 1.522 5.238 0.750 1.00 73.01 C ATOM 131 CD2 PHE A 7 2.312 3.782 -0.965 1.00 41.45 C ATOM 132 CE1 PHE A 7 1.354 4.157 1.594 1.00 23.50 C ATOM 133 CE2 PHE A 7 2.146 2.697 -0.126 1.00 23.01 C ATOM 134 CZ PHE A 7 1.666 2.884 1.155 1.00 12.43 C ATOM 135 H PHE A 7 0.050 5.181 -2.930 1.00 5.14 H ATOM 136 HA PHE A 7 0.470 7.484 -1.140 1.00 65.15 H ATOM 137 HB2 PHE A 7 2.746 5.908 -2.313 1.00 20.02 H ATOM 138 HB3 PHE A 7 2.754 6.989 -0.923 1.00 41.35 H ATOM 139 HD1 PHE A 7 1.277 6.232 1.094 1.00 34.02 H ATOM 140 HD2 PHE A 7 2.688 3.635 -1.968 1.00 70.33 H ATOM 141 HE1 PHE A 7 0.978 4.306 2.595 1.00 22.42 H ATOM 142 HE2 PHE A 7 2.391 1.704 -0.472 1.00 71.24 H ATOM 143 HZ PHE A 7 1.536 2.038 1.813 1.00 2.00 H ATOM 144 N GLY A 8 0.621 7.236 -4.308 1.00 45.01 N ATOM 145 CA GLY A 8 0.794 7.968 -5.549 1.00 52.31 C ATOM 146 C GLY A 8 -0.445 8.752 -5.937 1.00 24.32 C ATOM 147 O GLY A 8 -0.428 9.982 -5.956 1.00 43.35 O ATOM 148 H GLY A 8 0.143 6.380 -4.309 1.00 2.44 H ATOM 149 HA2 GLY A 8 1.621 8.654 -5.438 1.00 73.41 H ATOM 150 HA3 GLY A 8 1.024 7.267 -6.338 1.00 53.42 H TER 151 GLY A 8 ENDMDL MODEL 15 ATOM 1 N GLY A 1 2.230 -1.627 -1.997 1.00 63.14 N ATOM 2 CA GLY A 1 2.428 -0.240 -1.619 1.00 60.12 C ATOM 3 C GLY A 1 1.696 0.721 -2.536 1.00 25.45 C ATOM 4 O GLY A 1 0.595 1.172 -2.221 1.00 4.04 O ATOM 5 H1 GLY A 1 2.940 -2.283 -1.834 1.00 71.43 H ATOM 6 HA2 GLY A 1 2.073 -0.099 -0.609 1.00 74.54 H ATOM 7 HA3 GLY A 1 3.484 -0.017 -1.653 1.00 4.03 H ATOM 8 N TRP A 2 2.309 1.035 -3.671 1.00 5.01 N ATOM 9 CA TRP A 2 1.710 1.950 -4.635 1.00 54.31 C ATOM 10 C TRP A 2 0.882 1.190 -5.666 1.00 24.13 C ATOM 11 O TRP A 2 0.798 1.591 -6.827 1.00 33.51 O ATOM 12 CB TRP A 2 2.795 2.768 -5.337 1.00 22.02 C ATOM 13 CG TRP A 2 3.741 3.439 -4.387 1.00 71.30 C ATOM 14 CD1 TRP A 2 4.612 2.829 -3.530 1.00 62.45 C ATOM 15 CD2 TRP A 2 3.908 4.848 -4.197 1.00 22.25 C ATOM 16 NE1 TRP A 2 5.311 3.774 -2.819 1.00 22.31 N ATOM 17 CE2 TRP A 2 4.899 5.020 -3.210 1.00 15.04 C ATOM 18 CE3 TRP A 2 3.320 5.981 -4.765 1.00 33.31 C ATOM 19 CZ2 TRP A 2 5.310 6.279 -2.780 1.00 70.12 C ATOM 20 CZ3 TRP A 2 3.729 7.229 -4.337 1.00 40.44 C ATOM 21 CH2 TRP A 2 4.717 7.371 -3.354 1.00 32.34 C ATOM 22 H TRP A 2 3.186 0.643 -3.866 1.00 25.41 H ATOM 23 HA TRP A 2 1.060 2.622 -4.093 1.00 74.34 H ATOM 24 HB2 TRP A 2 3.371 2.116 -5.976 1.00 45.11 H ATOM 25 HB3 TRP A 2 2.326 3.534 -5.938 1.00 64.41 H ATOM 26 HD1 TRP A 2 4.723 1.759 -3.436 1.00 1.33 H ATOM 27 HE1 TRP A 2 5.996 3.585 -2.143 1.00 14.24 H ATOM 28 HE3 TRP A 2 2.557 5.892 -5.524 1.00 51.34 H ATOM 29 HZ2 TRP A 2 6.071 6.404 -2.023 1.00 55.43 H ATOM 30 HZ3 TRP A 2 3.285 8.116 -4.765 1.00 1.52 H ATOM 31 HH2 TRP A 2 5.005 8.365 -3.050 1.00 42.11 H ATOM 32 N LYS A 3 0.273 0.091 -5.235 1.00 22.43 N ATOM 33 CA LYS A 3 -0.549 -0.726 -6.119 1.00 52.15 C ATOM 34 C LYS A 3 -1.502 0.144 -6.933 1.00 62.14 C ATOM 35 O LYS A 3 -1.656 -0.049 -8.139 1.00 73.04 O ATOM 36 CB LYS A 3 -1.345 -1.751 -5.308 1.00 62.02 C ATOM 37 CG LYS A 3 -1.954 -1.182 -4.039 1.00 11.52 C ATOM 38 CD LYS A 3 -2.825 -2.205 -3.330 1.00 71.44 C ATOM 39 CE LYS A 3 -2.019 -3.422 -2.901 1.00 42.42 C ATOM 40 NZ LYS A 3 -2.491 -3.969 -1.599 1.00 43.40 N ATOM 41 H LYS A 3 0.379 -0.178 -4.297 1.00 53.24 H ATOM 42 HA LYS A 3 0.110 -1.248 -6.797 1.00 34.25 H ATOM 43 HB2 LYS A 3 -2.143 -2.138 -5.924 1.00 33.11 H ATOM 44 HB3 LYS A 3 -0.687 -2.564 -5.034 1.00 13.53 H ATOM 45 HG2 LYS A 3 -1.160 -0.879 -3.373 1.00 45.21 H ATOM 46 HG3 LYS A 3 -2.559 -0.323 -4.295 1.00 2.05 H ATOM 47 HD2 LYS A 3 -3.261 -1.750 -2.454 1.00 14.40 H ATOM 48 HD3 LYS A 3 -3.610 -2.523 -4.002 1.00 33.32 H ATOM 49 HE2 LYS A 3 -2.113 -4.185 -3.658 1.00 33.10 H ATOM 50 HE3 LYS A 3 -0.982 -3.135 -2.807 1.00 41.41 H ATOM 51 HZ1 LYS A 3 -2.332 -4.996 -1.564 1.00 5.42 H ATOM 52 HZ2 LYS A 3 -3.507 -3.782 -1.481 1.00 0.55 H ATOM 53 HZ3 LYS A 3 -1.974 -3.521 -0.815 1.00 60.33 H ATOM 54 N ARG A 4 -2.137 1.102 -6.266 1.00 41.15 N ATOM 55 CA ARG A 4 -3.074 2.002 -6.929 1.00 30.54 C ATOM 56 C ARG A 4 -2.682 3.459 -6.701 1.00 61.44 C ATOM 57 O ARG A 4 -1.937 4.043 -7.489 1.00 32.32 O ATOM 58 CB ARG A 4 -4.495 1.759 -6.417 1.00 30.12 C ATOM 59 CG ARG A 4 -4.546 1.165 -5.018 1.00 43.25 C ATOM 60 CD ARG A 4 -5.866 1.473 -4.330 1.00 72.10 C ATOM 61 NE ARG A 4 -6.945 0.610 -4.804 1.00 23.42 N ATOM 62 CZ ARG A 4 -8.225 0.802 -4.505 1.00 63.33 C ATOM 63 NH1 ARG A 4 -8.584 1.822 -3.738 1.00 72.25 N ATOM 64 NH2 ARG A 4 -9.148 -0.027 -4.975 1.00 33.44 N ATOM 65 H ARG A 4 -1.972 1.206 -5.306 1.00 11.40 H ATOM 66 HA ARG A 4 -3.042 1.793 -7.988 1.00 1.45 H ATOM 67 HB2 ARG A 4 -5.026 2.699 -6.404 1.00 13.31 H ATOM 68 HB3 ARG A 4 -4.996 1.081 -7.091 1.00 33.34 H ATOM 69 HG2 ARG A 4 -4.430 0.094 -5.088 1.00 20.41 H ATOM 70 HG3 ARG A 4 -3.739 1.579 -4.432 1.00 43.25 H ATOM 71 HD2 ARG A 4 -5.744 1.330 -3.267 1.00 35.13 H ATOM 72 HD3 ARG A 4 -6.128 2.502 -4.527 1.00 20.20 H ATOM 73 HE ARG A 4 -6.701 -0.150 -5.372 1.00 34.30 H ATOM 74 HH11 ARG A 4 -7.891 2.449 -3.384 1.00 65.33 H ATOM 75 HH12 ARG A 4 -9.549 1.965 -3.516 1.00 61.12 H ATOM 76 HH21 ARG A 4 -8.881 -0.797 -5.553 1.00 71.42 H ATOM 77 HH22 ARG A 4 -10.111 0.118 -4.749 1.00 72.23 H ATOM 78 N LYS A 5 -3.189 4.040 -5.620 1.00 2.43 N ATOM 79 CA LYS A 5 -2.892 5.429 -5.287 1.00 31.30 C ATOM 80 C LYS A 5 -2.511 5.566 -3.816 1.00 52.34 C ATOM 81 O LYS A 5 -2.329 6.675 -3.314 1.00 1.31 O ATOM 82 CB LYS A 5 -4.098 6.318 -5.598 1.00 0.12 C ATOM 83 CG LYS A 5 -5.402 5.801 -5.015 1.00 24.12 C ATOM 84 CD LYS A 5 -5.532 6.153 -3.542 1.00 74.14 C ATOM 85 CE LYS A 5 -5.367 7.647 -3.310 1.00 30.13 C ATOM 86 NZ LYS A 5 -6.330 8.160 -2.296 1.00 43.31 N ATOM 87 H LYS A 5 -3.777 3.523 -5.030 1.00 24.33 H ATOM 88 HA LYS A 5 -2.057 5.744 -5.894 1.00 1.12 H ATOM 89 HB2 LYS A 5 -3.915 7.305 -5.198 1.00 32.40 H ATOM 90 HB3 LYS A 5 -4.211 6.389 -6.670 1.00 42.02 H ATOM 91 HG2 LYS A 5 -6.227 6.242 -5.554 1.00 1.02 H ATOM 92 HG3 LYS A 5 -5.432 4.726 -5.123 1.00 32.13 H ATOM 93 HD2 LYS A 5 -6.509 5.852 -3.194 1.00 54.04 H ATOM 94 HD3 LYS A 5 -4.771 5.624 -2.986 1.00 15.11 H ATOM 95 HE2 LYS A 5 -4.361 7.835 -2.966 1.00 55.32 H ATOM 96 HE3 LYS A 5 -5.531 8.164 -4.244 1.00 20.52 H ATOM 97 HZ1 LYS A 5 -6.471 9.183 -2.423 1.00 20.32 H ATOM 98 HZ2 LYS A 5 -5.965 7.987 -1.338 1.00 1.45 H ATOM 99 HZ3 LYS A 5 -7.246 7.679 -2.398 1.00 0.22 H ATOM 100 N ARG A 6 -2.392 4.433 -3.132 1.00 45.23 N ATOM 101 CA ARG A 6 -2.032 4.428 -1.719 1.00 41.04 C ATOM 102 C ARG A 6 -1.151 5.626 -1.378 1.00 40.43 C ATOM 103 O ARG A 6 -1.442 6.380 -0.449 1.00 72.30 O ATOM 104 CB ARG A 6 -1.307 3.130 -1.361 1.00 23.24 C ATOM 105 CG ARG A 6 -1.607 2.633 0.044 1.00 22.21 C ATOM 106 CD ARG A 6 -2.361 1.313 0.019 1.00 75.24 C ATOM 107 NE ARG A 6 -3.318 1.208 1.117 1.00 55.22 N ATOM 108 CZ ARG A 6 -4.456 1.893 1.168 1.00 23.33 C ATOM 109 NH1 ARG A 6 -4.776 2.727 0.189 1.00 74.54 N ATOM 110 NH2 ARG A 6 -5.275 1.743 2.201 1.00 12.41 N ATOM 111 H ARG A 6 -2.550 3.580 -3.588 1.00 44.12 H ATOM 112 HA ARG A 6 -2.944 4.491 -1.145 1.00 3.33 H ATOM 113 HB2 ARG A 6 -1.600 2.361 -2.061 1.00 13.53 H ATOM 114 HB3 ARG A 6 -0.243 3.292 -1.442 1.00 25.01 H ATOM 115 HG2 ARG A 6 -0.676 2.492 0.573 1.00 64.11 H ATOM 116 HG3 ARG A 6 -2.206 3.371 0.556 1.00 30.44 H ATOM 117 HD2 ARG A 6 -2.893 1.235 -0.918 1.00 12.51 H ATOM 118 HD3 ARG A 6 -1.649 0.505 0.096 1.00 52.04 H ATOM 119 HE ARG A 6 -3.101 0.598 1.851 1.00 34.44 H ATOM 120 HH11 ARG A 6 -4.161 2.840 -0.591 1.00 53.34 H ATOM 121 HH12 ARG A 6 -5.634 3.240 0.229 1.00 21.12 H ATOM 122 HH21 ARG A 6 -5.037 1.115 2.941 1.00 0.54 H ATOM 123 HH22 ARG A 6 -6.131 2.259 2.239 1.00 24.11 H ATOM 124 N PHE A 7 -0.073 5.796 -2.136 1.00 5.11 N ATOM 125 CA PHE A 7 0.852 6.902 -1.913 1.00 70.42 C ATOM 126 C PHE A 7 1.007 7.744 -3.176 1.00 61.32 C ATOM 127 O PHE A 7 1.557 8.844 -3.138 1.00 72.35 O ATOM 128 CB PHE A 7 2.217 6.371 -1.469 1.00 51.44 C ATOM 129 CG PHE A 7 2.129 5.205 -0.527 1.00 64.24 C ATOM 130 CD1 PHE A 7 1.676 5.378 0.771 1.00 63.05 C ATOM 131 CD2 PHE A 7 2.500 3.935 -0.940 1.00 34.01 C ATOM 132 CE1 PHE A 7 1.596 4.306 1.639 1.00 14.35 C ATOM 133 CE2 PHE A 7 2.421 2.859 -0.075 1.00 53.34 C ATOM 134 CZ PHE A 7 1.967 3.045 1.216 1.00 40.23 C ATOM 135 H PHE A 7 0.106 5.162 -2.862 1.00 62.00 H ATOM 136 HA PHE A 7 0.444 7.521 -1.130 1.00 11.13 H ATOM 137 HB2 PHE A 7 2.772 6.054 -2.339 1.00 70.22 H ATOM 138 HB3 PHE A 7 2.757 7.162 -0.971 1.00 44.13 H ATOM 139 HD1 PHE A 7 1.384 6.363 1.103 1.00 3.22 H ATOM 140 HD2 PHE A 7 2.855 3.788 -1.950 1.00 54.45 H ATOM 141 HE1 PHE A 7 1.240 4.454 2.648 1.00 3.24 H ATOM 142 HE2 PHE A 7 2.712 1.875 -0.410 1.00 70.23 H ATOM 143 HZ PHE A 7 1.905 2.206 1.893 1.00 42.52 H ATOM 144 N GLY A 8 0.518 7.217 -4.295 1.00 43.42 N ATOM 145 CA GLY A 8 0.613 7.933 -5.554 1.00 73.34 C ATOM 146 C GLY A 8 -0.637 8.735 -5.861 1.00 24.34 C ATOM 147 O GLY A 8 -0.559 9.822 -6.432 1.00 54.11 O ATOM 148 H GLY A 8 0.090 6.336 -4.265 1.00 42.14 H ATOM 149 HA2 GLY A 8 1.458 8.604 -5.512 1.00 74.22 H ATOM 150 HA3 GLY A 8 0.772 7.219 -6.349 1.00 50.04 H TER 151 GLY A 8 ENDMDL MODEL 16 ATOM 1 N GLY A 1 1.923 -1.674 -1.877 1.00 53.52 N ATOM 2 CA GLY A 1 2.043 -0.292 -1.450 1.00 4.13 C ATOM 3 C GLY A 1 1.384 0.673 -2.415 1.00 12.24 C ATOM 4 O GLY A 1 0.279 1.155 -2.163 1.00 61.42 O ATOM 5 H1 GLY A 1 2.693 -2.130 -2.276 1.00 72.02 H ATOM 6 HA2 GLY A 1 1.583 -0.185 -0.479 1.00 31.31 H ATOM 7 HA3 GLY A 1 3.091 -0.042 -1.369 1.00 62.33 H ATOM 8 N TRP A 2 2.062 0.958 -3.520 1.00 63.12 N ATOM 9 CA TRP A 2 1.536 1.874 -4.525 1.00 75.05 C ATOM 10 C TRP A 2 0.743 1.120 -5.587 1.00 62.44 C ATOM 11 O TRP A 2 0.729 1.505 -6.757 1.00 24.32 O ATOM 12 CB TRP A 2 2.676 2.655 -5.181 1.00 72.20 C ATOM 13 CG TRP A 2 3.588 3.316 -4.193 1.00 21.14 C ATOM 14 CD1 TRP A 2 4.401 2.697 -3.286 1.00 40.13 C ATOM 15 CD2 TRP A 2 3.779 4.723 -4.010 1.00 54.13 C ATOM 16 NE1 TRP A 2 5.085 3.635 -2.551 1.00 64.14 N ATOM 17 CE2 TRP A 2 4.722 4.885 -2.977 1.00 10.32 C ATOM 18 CE3 TRP A 2 3.246 5.862 -4.621 1.00 31.35 C ATOM 19 CZ2 TRP A 2 5.141 6.140 -2.542 1.00 32.23 C ATOM 20 CZ3 TRP A 2 3.662 7.106 -4.187 1.00 43.14 C ATOM 21 CH2 TRP A 2 4.603 7.237 -3.157 1.00 13.41 C ATOM 22 H TRP A 2 2.939 0.542 -3.664 1.00 55.43 H ATOM 23 HA TRP A 2 0.876 2.569 -4.026 1.00 70.45 H ATOM 24 HB2 TRP A 2 3.267 1.980 -5.781 1.00 45.13 H ATOM 25 HB3 TRP A 2 2.258 3.423 -5.816 1.00 33.14 H ATOM 26 HD1 TRP A 2 4.482 1.627 -3.174 1.00 21.23 H ATOM 27 HE1 TRP A 2 5.730 3.439 -1.839 1.00 44.54 H ATOM 28 HE3 TRP A 2 2.520 5.781 -5.416 1.00 42.14 H ATOM 29 HZ2 TRP A 2 5.865 6.258 -1.749 1.00 62.51 H ATOM 30 HZ3 TRP A 2 3.261 7.998 -4.647 1.00 22.41 H ATOM 31 HH2 TRP A 2 4.899 8.229 -2.851 1.00 33.22 H ATOM 32 N LYS A 3 0.083 0.043 -5.174 1.00 25.03 N ATOM 33 CA LYS A 3 -0.713 -0.765 -6.089 1.00 32.40 C ATOM 34 C LYS A 3 -1.605 0.116 -6.958 1.00 32.24 C ATOM 35 O LYS A 3 -1.705 -0.088 -8.168 1.00 11.53 O ATOM 36 CB LYS A 3 -1.570 -1.763 -5.307 1.00 34.22 C ATOM 37 CG LYS A 3 -2.342 -1.134 -4.160 1.00 11.12 C ATOM 38 CD LYS A 3 -2.172 -1.925 -2.873 1.00 53.54 C ATOM 39 CE LYS A 3 -3.262 -1.591 -1.866 1.00 51.12 C ATOM 40 NZ LYS A 3 -4.433 -2.503 -1.993 1.00 4.10 N ATOM 41 H LYS A 3 0.133 -0.214 -4.229 1.00 1.14 H ATOM 42 HA LYS A 3 -0.034 -1.310 -6.728 1.00 33.05 H ATOM 43 HB2 LYS A 3 -2.279 -2.219 -5.983 1.00 2.50 H ATOM 44 HB3 LYS A 3 -0.928 -2.531 -4.902 1.00 25.54 H ATOM 45 HG2 LYS A 3 -1.980 -0.129 -4.002 1.00 43.14 H ATOM 46 HG3 LYS A 3 -3.391 -1.104 -4.418 1.00 33.14 H ATOM 47 HD2 LYS A 3 -2.218 -2.979 -3.100 1.00 74.32 H ATOM 48 HD3 LYS A 3 -1.210 -1.689 -2.441 1.00 31.22 H ATOM 49 HE2 LYS A 3 -2.854 -1.679 -0.871 1.00 61.52 H ATOM 50 HE3 LYS A 3 -3.588 -0.575 -2.032 1.00 54.22 H ATOM 51 HZ1 LYS A 3 -5.283 -1.960 -2.245 1.00 70.21 H ATOM 52 HZ2 LYS A 3 -4.602 -2.994 -1.092 1.00 1.23 H ATOM 53 HZ3 LYS A 3 -4.255 -3.212 -2.733 1.00 4.15 H ATOM 54 N ARG A 4 -2.250 1.095 -6.333 1.00 13.34 N ATOM 55 CA ARG A 4 -3.133 2.007 -7.049 1.00 55.51 C ATOM 56 C ARG A 4 -2.719 3.458 -6.820 1.00 63.01 C ATOM 57 O ARG A 4 -1.924 4.015 -7.578 1.00 22.04 O ATOM 58 CB ARG A 4 -4.583 1.804 -6.603 1.00 64.21 C ATOM 59 CG ARG A 4 -4.714 1.229 -5.202 1.00 44.40 C ATOM 60 CD ARG A 4 -6.023 1.645 -4.550 1.00 20.22 C ATOM 61 NE ARG A 4 -7.175 1.006 -5.180 1.00 32.43 N ATOM 62 CZ ARG A 4 -8.421 1.450 -5.056 1.00 42.32 C ATOM 63 NH1 ARG A 4 -8.674 2.531 -4.330 1.00 63.35 N ATOM 64 NH2 ARG A 4 -9.417 0.814 -5.660 1.00 4.10 N ATOM 65 H ARG A 4 -2.130 1.207 -5.366 1.00 72.03 H ATOM 66 HA ARG A 4 -3.056 1.785 -8.103 1.00 1.32 H ATOM 67 HB2 ARG A 4 -5.092 2.756 -6.627 1.00 3.12 H ATOM 68 HB3 ARG A 4 -5.067 1.129 -7.292 1.00 61.43 H ATOM 69 HG2 ARG A 4 -4.680 0.151 -5.260 1.00 44.42 H ATOM 70 HG3 ARG A 4 -3.892 1.586 -4.599 1.00 22.50 H ATOM 71 HD2 ARG A 4 -5.995 1.366 -3.507 1.00 4.30 H ATOM 72 HD3 ARG A 4 -6.127 2.716 -4.633 1.00 41.33 H ATOM 73 HE ARG A 4 -7.011 0.206 -5.721 1.00 20.34 H ATOM 74 HH11 ARG A 4 -7.925 3.013 -3.875 1.00 73.43 H ATOM 75 HH12 ARG A 4 -9.612 2.864 -4.240 1.00 55.11 H ATOM 76 HH21 ARG A 4 -9.230 -0.001 -6.208 1.00 43.51 H ATOM 77 HH22 ARG A 4 -10.353 1.149 -5.566 1.00 55.34 H ATOM 78 N LYS A 5 -3.263 4.065 -5.771 1.00 23.23 N ATOM 79 CA LYS A 5 -2.950 5.450 -5.440 1.00 62.02 C ATOM 80 C LYS A 5 -2.638 5.598 -3.954 1.00 64.44 C ATOM 81 O LYS A 5 -2.453 6.708 -3.457 1.00 12.52 O ATOM 82 CB LYS A 5 -4.118 6.363 -5.820 1.00 22.11 C ATOM 83 CG LYS A 5 -5.460 5.884 -5.295 1.00 31.52 C ATOM 84 CD LYS A 5 -5.653 6.257 -3.835 1.00 15.42 C ATOM 85 CE LYS A 5 -5.464 7.750 -3.612 1.00 20.02 C ATOM 86 NZ LYS A 5 -6.478 8.303 -2.672 1.00 2.51 N ATOM 87 H LYS A 5 -3.890 3.568 -5.204 1.00 1.13 H ATOM 88 HA LYS A 5 -2.079 5.738 -6.009 1.00 41.31 H ATOM 89 HB2 LYS A 5 -3.931 7.350 -5.423 1.00 53.03 H ATOM 90 HB3 LYS A 5 -4.177 6.422 -6.897 1.00 41.52 H ATOM 91 HG2 LYS A 5 -6.248 6.337 -5.879 1.00 25.45 H ATOM 92 HG3 LYS A 5 -5.511 4.808 -5.392 1.00 2.25 H ATOM 93 HD2 LYS A 5 -6.653 5.984 -3.531 1.00 70.23 H ATOM 94 HD3 LYS A 5 -4.933 5.718 -3.236 1.00 11.33 H ATOM 95 HE2 LYS A 5 -4.479 7.918 -3.205 1.00 22.34 H ATOM 96 HE3 LYS A 5 -5.552 8.256 -4.562 1.00 3.42 H ATOM 97 HZ1 LYS A 5 -6.876 9.185 -3.054 1.00 74.51 H ATOM 98 HZ2 LYS A 5 -6.038 8.505 -1.751 1.00 12.01 H ATOM 99 HZ3 LYS A 5 -7.248 7.619 -2.533 1.00 23.40 H ATOM 100 N ARG A 6 -2.578 4.471 -3.252 1.00 75.10 N ATOM 101 CA ARG A 6 -2.288 4.476 -1.823 1.00 71.33 C ATOM 102 C ARG A 6 -1.396 5.657 -1.454 1.00 23.12 C ATOM 103 O ARG A 6 -1.713 6.429 -0.549 1.00 20.02 O ATOM 104 CB ARG A 6 -1.613 3.165 -1.414 1.00 51.21 C ATOM 105 CG ARG A 6 -1.949 2.723 0.001 1.00 72.03 C ATOM 106 CD ARG A 6 -2.501 1.306 0.025 1.00 14.32 C ATOM 107 NE ARG A 6 -1.464 0.320 0.315 1.00 73.44 N ATOM 108 CZ ARG A 6 -0.981 0.096 1.532 1.00 55.32 C ATOM 109 NH1 ARG A 6 -1.440 0.786 2.567 1.00 31.32 N ATOM 110 NH2 ARG A 6 -0.038 -0.819 1.715 1.00 12.21 N ATOM 111 H ARG A 6 -2.735 3.616 -3.705 1.00 64.01 H ATOM 112 HA ARG A 6 -3.225 4.568 -1.295 1.00 1.24 H ATOM 113 HB2 ARG A 6 -1.924 2.386 -2.094 1.00 62.14 H ATOM 114 HB3 ARG A 6 -0.543 3.288 -1.485 1.00 10.31 H ATOM 115 HG2 ARG A 6 -1.052 2.758 0.602 1.00 55.24 H ATOM 116 HG3 ARG A 6 -2.687 3.395 0.412 1.00 13.20 H ATOM 117 HD2 ARG A 6 -3.265 1.245 0.786 1.00 72.01 H ATOM 118 HD3 ARG A 6 -2.935 1.087 -0.939 1.00 33.01 H ATOM 119 HE ARG A 6 -1.111 -0.201 -0.436 1.00 72.22 H ATOM 120 HH11 ARG A 6 -2.152 1.475 2.432 1.00 4.12 H ATOM 121 HH12 ARG A 6 -1.076 0.615 3.483 1.00 63.20 H ATOM 122 HH21 ARG A 6 0.310 -1.341 0.937 1.00 52.41 H ATOM 123 HH22 ARG A 6 0.325 -0.986 2.631 1.00 14.03 H ATOM 124 N PHE A 7 -0.278 5.791 -2.160 1.00 1.00 N ATOM 125 CA PHE A 7 0.661 6.877 -1.906 1.00 25.05 C ATOM 126 C PHE A 7 0.898 7.699 -3.169 1.00 62.33 C ATOM 127 O PHE A 7 1.472 8.786 -3.118 1.00 21.42 O ATOM 128 CB PHE A 7 1.990 6.320 -1.389 1.00 51.13 C ATOM 129 CG PHE A 7 1.828 5.168 -0.440 1.00 22.23 C ATOM 130 CD1 PHE A 7 1.313 5.367 0.831 1.00 21.00 C ATOM 131 CD2 PHE A 7 2.192 3.885 -0.818 1.00 10.34 C ATOM 132 CE1 PHE A 7 1.163 4.309 1.707 1.00 33.33 C ATOM 133 CE2 PHE A 7 2.043 2.823 0.054 1.00 5.12 C ATOM 134 CZ PHE A 7 1.529 3.035 1.319 1.00 44.25 C ATOM 135 H PHE A 7 -0.080 5.144 -2.869 1.00 21.50 H ATOM 136 HA PHE A 7 0.231 7.516 -1.150 1.00 41.22 H ATOM 137 HB2 PHE A 7 2.579 5.979 -2.227 1.00 72.32 H ATOM 138 HB3 PHE A 7 2.524 7.104 -0.874 1.00 64.13 H ATOM 139 HD1 PHE A 7 1.026 6.364 1.136 1.00 21.44 H ATOM 140 HD2 PHE A 7 2.595 3.718 -1.806 1.00 22.25 H ATOM 141 HE1 PHE A 7 0.760 4.478 2.695 1.00 5.31 H ATOM 142 HE2 PHE A 7 2.331 1.828 -0.252 1.00 42.41 H ATOM 143 HZ PHE A 7 1.412 2.207 2.001 1.00 22.12 H ATOM 144 N GLY A 8 0.452 7.170 -4.305 1.00 33.55 N ATOM 145 CA GLY A 8 0.625 7.866 -5.566 1.00 34.10 C ATOM 146 C GLY A 8 -0.613 8.639 -5.976 1.00 10.45 C ATOM 147 O GLY A 8 -1.534 8.080 -6.570 1.00 34.24 O ATOM 148 H GLY A 8 0.001 6.299 -4.285 1.00 43.22 H ATOM 149 HA2 GLY A 8 1.452 8.553 -5.475 1.00 3.22 H ATOM 150 HA3 GLY A 8 0.853 7.143 -6.335 1.00 24.52 H TER 151 GLY A 8 ENDMDL MODEL 17 ATOM 1 N GLY A 1 1.407 -0.384 -0.280 1.00 1.44 N ATOM 2 CA GLY A 1 2.117 -0.238 -1.537 1.00 10.11 C ATOM 3 C GLY A 1 1.442 0.744 -2.474 1.00 13.14 C ATOM 4 O GLY A 1 0.364 1.257 -2.173 1.00 51.52 O ATOM 5 H1 GLY A 1 1.909 -0.526 0.550 1.00 33.24 H ATOM 6 HA2 GLY A 1 3.120 0.106 -1.334 1.00 21.13 H ATOM 7 HA3 GLY A 1 2.169 -1.202 -2.022 1.00 11.15 H ATOM 8 N TRP A 2 2.077 1.007 -3.610 1.00 13.21 N ATOM 9 CA TRP A 2 1.531 1.936 -4.593 1.00 12.32 C ATOM 10 C TRP A 2 0.670 1.203 -5.616 1.00 25.01 C ATOM 11 O TRP A 2 0.614 1.587 -6.784 1.00 64.14 O ATOM 12 CB TRP A 2 2.662 2.684 -5.301 1.00 55.02 C ATOM 13 CG TRP A 2 3.637 3.319 -4.357 1.00 12.03 C ATOM 14 CD1 TRP A 2 4.471 2.677 -3.486 1.00 50.52 C ATOM 15 CD2 TRP A 2 3.877 4.720 -4.187 1.00 1.21 C ATOM 16 NE1 TRP A 2 5.215 3.596 -2.785 1.00 64.45 N ATOM 17 CE2 TRP A 2 4.871 4.856 -3.197 1.00 75.44 C ATOM 18 CE3 TRP A 2 3.351 5.873 -4.776 1.00 5.43 C ATOM 19 CZ2 TRP A 2 5.346 6.098 -2.785 1.00 74.32 C ATOM 20 CZ3 TRP A 2 3.824 7.105 -4.365 1.00 52.42 C ATOM 21 CH2 TRP A 2 4.813 7.210 -3.378 1.00 62.04 C ATOM 22 H TRP A 2 2.933 0.566 -3.793 1.00 1.53 H ATOM 23 HA TRP A 2 0.914 2.650 -4.066 1.00 60.24 H ATOM 24 HB2 TRP A 2 3.206 1.993 -5.927 1.00 34.52 H ATOM 25 HB3 TRP A 2 2.237 3.464 -5.917 1.00 71.30 H ATOM 26 HD1 TRP A 2 4.525 1.605 -3.374 1.00 42.45 H ATOM 27 HE1 TRP A 2 5.886 3.382 -2.103 1.00 32.03 H ATOM 28 HE3 TRP A 2 2.589 5.813 -5.538 1.00 14.31 H ATOM 29 HZ2 TRP A 2 6.108 6.195 -2.026 1.00 62.12 H ATOM 30 HZ3 TRP A 2 3.429 8.008 -4.809 1.00 20.24 H ATOM 31 HH2 TRP A 2 5.152 8.193 -3.089 1.00 20.43 H ATOM 32 N LYS A 3 0.001 0.146 -5.170 1.00 73.51 N ATOM 33 CA LYS A 3 -0.859 -0.642 -6.046 1.00 43.54 C ATOM 34 C LYS A 3 -1.766 0.263 -6.874 1.00 72.01 C ATOM 35 O LYS A 3 -1.928 0.061 -8.078 1.00 14.33 O ATOM 36 CB LYS A 3 -1.705 -1.616 -5.224 1.00 0.10 C ATOM 37 CG LYS A 3 -2.407 -0.966 -4.044 1.00 5.10 C ATOM 38 CD LYS A 3 -2.198 -1.760 -2.765 1.00 52.41 C ATOM 39 CE LYS A 3 -2.782 -3.160 -2.877 1.00 3.32 C ATOM 40 NZ LYS A 3 -3.521 -3.553 -1.645 1.00 44.40 N ATOM 41 H LYS A 3 0.086 -0.111 -4.228 1.00 30.54 H ATOM 42 HA LYS A 3 -0.225 -1.204 -6.715 1.00 22.22 H ATOM 43 HB2 LYS A 3 -2.455 -2.053 -5.866 1.00 54.12 H ATOM 44 HB3 LYS A 3 -1.065 -2.401 -4.847 1.00 43.43 H ATOM 45 HG2 LYS A 3 -2.011 0.029 -3.905 1.00 54.54 H ATOM 46 HG3 LYS A 3 -3.465 -0.909 -4.253 1.00 54.03 H ATOM 47 HD2 LYS A 3 -1.139 -1.838 -2.569 1.00 13.05 H ATOM 48 HD3 LYS A 3 -2.681 -1.242 -1.948 1.00 4.11 H ATOM 49 HE2 LYS A 3 -3.459 -3.187 -3.717 1.00 21.44 H ATOM 50 HE3 LYS A 3 -1.975 -3.859 -3.041 1.00 75.34 H ATOM 51 HZ1 LYS A 3 -3.187 -4.478 -1.308 1.00 33.11 H ATOM 52 HZ2 LYS A 3 -4.540 -3.614 -1.844 1.00 64.45 H ATOM 53 HZ3 LYS A 3 -3.368 -2.847 -0.896 1.00 61.25 H ATOM 54 N ARG A 4 -2.354 1.260 -6.222 1.00 11.43 N ATOM 55 CA ARG A 4 -3.245 2.196 -6.898 1.00 23.20 C ATOM 56 C ARG A 4 -2.779 3.634 -6.693 1.00 52.43 C ATOM 57 O ARG A 4 -2.005 4.167 -7.489 1.00 11.32 O ATOM 58 CB ARG A 4 -4.676 2.033 -6.383 1.00 0.43 C ATOM 59 CG ARG A 4 -4.756 1.466 -4.975 1.00 62.41 C ATOM 60 CD ARG A 4 -6.021 1.919 -4.263 1.00 24.44 C ATOM 61 NE ARG A 4 -6.731 0.802 -3.646 1.00 33.30 N ATOM 62 CZ ARG A 4 -7.511 -0.036 -4.321 1.00 4.01 C ATOM 63 NH1 ARG A 4 -7.678 0.116 -5.627 1.00 70.14 N ATOM 64 NH2 ARG A 4 -8.124 -1.029 -3.689 1.00 40.40 N ATOM 65 H ARG A 4 -2.186 1.370 -5.262 1.00 64.34 H ATOM 66 HA ARG A 4 -3.224 1.970 -7.954 1.00 22.25 H ATOM 67 HB2 ARG A 4 -5.159 3.000 -6.385 1.00 70.42 H ATOM 68 HB3 ARG A 4 -5.211 1.371 -7.046 1.00 32.32 H ATOM 69 HG2 ARG A 4 -4.754 0.387 -5.031 1.00 54.02 H ATOM 70 HG3 ARG A 4 -3.897 1.800 -4.413 1.00 43.00 H ATOM 71 HD2 ARG A 4 -5.751 2.629 -3.495 1.00 61.41 H ATOM 72 HD3 ARG A 4 -6.671 2.395 -4.981 1.00 31.12 H ATOM 73 HE ARG A 4 -6.622 0.671 -2.681 1.00 43.04 H ATOM 74 HH11 ARG A 4 -7.216 0.862 -6.106 1.00 53.33 H ATOM 75 HH12 ARG A 4 -8.264 -0.517 -6.133 1.00 74.05 H ATOM 76 HH21 ARG A 4 -8.000 -1.146 -2.704 1.00 60.42 H ATOM 77 HH22 ARG A 4 -8.710 -1.658 -4.198 1.00 32.23 H ATOM 78 N LYS A 5 -3.257 4.259 -5.622 1.00 24.51 N ATOM 79 CA LYS A 5 -2.890 5.635 -5.311 1.00 1.01 C ATOM 80 C LYS A 5 -2.505 5.777 -3.842 1.00 31.13 C ATOM 81 O LYS A 5 -2.266 6.883 -3.357 1.00 15.11 O ATOM 82 CB LYS A 5 -4.048 6.580 -5.639 1.00 72.21 C ATOM 83 CG LYS A 5 -5.378 6.139 -5.051 1.00 44.40 C ATOM 84 CD LYS A 5 -5.493 6.522 -3.585 1.00 23.41 C ATOM 85 CE LYS A 5 -5.251 8.009 -3.376 1.00 35.31 C ATOM 86 NZ LYS A 5 -6.203 8.592 -2.390 1.00 20.21 N ATOM 87 H LYS A 5 -3.870 3.781 -5.025 1.00 35.13 H ATOM 88 HA LYS A 5 -2.039 5.897 -5.921 1.00 4.55 H ATOM 89 HB2 LYS A 5 -3.816 7.562 -5.255 1.00 1.01 H ATOM 90 HB3 LYS A 5 -4.155 6.639 -6.713 1.00 35.22 H ATOM 91 HG2 LYS A 5 -6.178 6.613 -5.599 1.00 53.42 H ATOM 92 HG3 LYS A 5 -5.463 5.066 -5.142 1.00 21.23 H ATOM 93 HD2 LYS A 5 -6.484 6.277 -3.235 1.00 33.35 H ATOM 94 HD3 LYS A 5 -4.761 5.964 -3.018 1.00 24.30 H ATOM 95 HE2 LYS A 5 -4.243 8.150 -3.017 1.00 75.32 H ATOM 96 HE3 LYS A 5 -5.371 8.516 -4.322 1.00 61.30 H ATOM 97 HZ1 LYS A 5 -5.697 9.216 -1.730 1.00 65.21 H ATOM 98 HZ2 LYS A 5 -6.665 7.833 -1.848 1.00 42.41 H ATOM 99 HZ3 LYS A 5 -6.933 9.145 -2.882 1.00 33.40 H ATOM 100 N ARG A 6 -2.445 4.650 -3.139 1.00 13.51 N ATOM 101 CA ARG A 6 -2.089 4.650 -1.725 1.00 70.02 C ATOM 102 C ARG A 6 -1.147 5.806 -1.402 1.00 13.25 C ATOM 103 O ARG A 6 -1.400 6.589 -0.485 1.00 60.41 O ATOM 104 CB ARG A 6 -1.433 3.322 -1.343 1.00 72.32 C ATOM 105 CG ARG A 6 -1.689 2.908 0.097 1.00 41.30 C ATOM 106 CD ARG A 6 -1.593 1.400 0.269 1.00 3.51 C ATOM 107 NE ARG A 6 -2.654 0.879 1.126 1.00 73.44 N ATOM 108 CZ ARG A 6 -3.934 0.843 0.771 1.00 61.42 C ATOM 109 NH1 ARG A 6 -4.309 1.295 -0.418 1.00 3.33 N ATOM 110 NH2 ARG A 6 -4.842 0.353 1.605 1.00 25.54 N ATOM 111 H ARG A 6 -2.646 3.799 -3.581 1.00 55.43 H ATOM 112 HA ARG A 6 -2.997 4.770 -1.154 1.00 13.30 H ATOM 113 HB2 ARG A 6 -1.815 2.546 -1.990 1.00 60.32 H ATOM 114 HB3 ARG A 6 -0.367 3.407 -1.487 1.00 23.54 H ATOM 115 HG2 ARG A 6 -0.954 3.380 0.733 1.00 70.50 H ATOM 116 HG3 ARG A 6 -2.678 3.233 0.384 1.00 22.35 H ATOM 117 HD2 ARG A 6 -1.666 0.935 -0.702 1.00 40.25 H ATOM 118 HD3 ARG A 6 -0.637 1.163 0.711 1.00 64.42 H ATOM 119 HE ARG A 6 -2.399 0.539 2.008 1.00 35.13 H ATOM 120 HH11 ARG A 6 -3.627 1.664 -1.049 1.00 42.20 H ATOM 121 HH12 ARG A 6 -5.273 1.266 -0.683 1.00 23.01 H ATOM 122 HH21 ARG A 6 -4.563 0.010 2.502 1.00 3.11 H ATOM 123 HH22 ARG A 6 -5.804 0.326 1.338 1.00 51.04 H ATOM 124 N PHE A 7 -0.060 5.907 -2.159 1.00 54.25 N ATOM 125 CA PHE A 7 0.920 6.967 -1.953 1.00 21.54 C ATOM 126 C PHE A 7 1.121 7.778 -3.229 1.00 3.32 C ATOM 127 O PHE A 7 1.733 8.846 -3.209 1.00 33.32 O ATOM 128 CB PHE A 7 2.255 6.373 -1.496 1.00 53.25 C ATOM 129 CG PHE A 7 2.105 5.229 -0.536 1.00 33.44 C ATOM 130 CD1 PHE A 7 1.658 5.446 0.758 1.00 40.43 C ATOM 131 CD2 PHE A 7 2.411 3.935 -0.926 1.00 21.24 C ATOM 132 CE1 PHE A 7 1.519 4.395 1.644 1.00 15.24 C ATOM 133 CE2 PHE A 7 2.273 2.880 -0.044 1.00 21.34 C ATOM 134 CZ PHE A 7 1.828 3.110 1.243 1.00 15.33 C ATOM 135 H PHE A 7 0.086 5.253 -2.875 1.00 31.01 H ATOM 136 HA PHE A 7 0.544 7.619 -1.180 1.00 55.45 H ATOM 137 HB2 PHE A 7 2.794 6.013 -2.359 1.00 70.34 H ATOM 138 HB3 PHE A 7 2.835 7.143 -1.010 1.00 71.21 H ATOM 139 HD1 PHE A 7 1.416 6.452 1.073 1.00 62.13 H ATOM 140 HD2 PHE A 7 2.761 3.753 -1.931 1.00 73.23 H ATOM 141 HE1 PHE A 7 1.170 4.579 2.650 1.00 51.42 H ATOM 142 HE2 PHE A 7 2.516 1.876 -0.360 1.00 14.05 H ATOM 143 HZ PHE A 7 1.719 2.288 1.934 1.00 34.41 H ATOM 144 N GLY A 8 0.602 7.263 -4.339 1.00 71.01 N ATOM 145 CA GLY A 8 0.735 7.952 -5.610 1.00 21.35 C ATOM 146 C GLY A 8 0.282 9.396 -5.536 1.00 40.32 C ATOM 147 O GLY A 8 0.284 10.106 -6.542 1.00 12.11 O ATOM 148 H GLY A 8 0.124 6.408 -4.295 1.00 44.11 H ATOM 149 HA2 GLY A 8 1.771 7.925 -5.914 1.00 73.02 H ATOM 150 HA3 GLY A 8 0.139 7.437 -6.349 1.00 64.01 H TER 151 GLY A 8 ENDMDL MODEL 18 ATOM 1 N GLY A 1 1.677 -1.991 -2.516 1.00 64.21 N ATOM 2 CA GLY A 1 1.713 -0.689 -1.876 1.00 35.44 C ATOM 3 C GLY A 1 1.124 0.402 -2.748 1.00 30.24 C ATOM 4 O GLY A 1 0.052 0.930 -2.453 1.00 73.12 O ATOM 5 H1 GLY A 1 2.313 -2.200 -3.232 1.00 63.12 H ATOM 6 HA2 GLY A 1 1.154 -0.739 -0.953 1.00 30.21 H ATOM 7 HA3 GLY A 1 2.739 -0.439 -1.650 1.00 70.53 H ATOM 8 N TRP A 2 1.827 0.741 -3.822 1.00 52.50 N ATOM 9 CA TRP A 2 1.368 1.779 -4.739 1.00 33.12 C ATOM 10 C TRP A 2 0.583 1.173 -5.897 1.00 15.41 C ATOM 11 O TRP A 2 0.645 1.662 -7.025 1.00 72.14 O ATOM 12 CB TRP A 2 2.557 2.577 -5.275 1.00 2.20 C ATOM 13 CG TRP A 2 3.483 3.058 -4.199 1.00 40.40 C ATOM 14 CD1 TRP A 2 4.196 2.287 -3.326 1.00 15.44 C ATOM 15 CD2 TRP A 2 3.794 4.419 -3.882 1.00 4.50 C ATOM 16 NE1 TRP A 2 4.931 3.087 -2.484 1.00 40.25 N ATOM 17 CE2 TRP A 2 4.703 4.399 -2.806 1.00 1.11 C ATOM 18 CE3 TRP A 2 3.396 5.653 -4.404 1.00 12.15 C ATOM 19 CZ2 TRP A 2 5.217 5.565 -2.243 1.00 74.34 C ATOM 20 CZ3 TRP A 2 3.906 6.809 -3.844 1.00 10.00 C ATOM 21 CH2 TRP A 2 4.809 6.759 -2.774 1.00 20.53 C ATOM 22 H TRP A 2 2.675 0.284 -4.004 1.00 14.04 H ATOM 23 HA TRP A 2 0.719 2.444 -4.188 1.00 32.54 H ATOM 24 HB2 TRP A 2 3.126 1.955 -5.950 1.00 15.00 H ATOM 25 HB3 TRP A 2 2.190 3.441 -5.810 1.00 75.33 H ATOM 26 HD1 TRP A 2 4.173 1.209 -3.309 1.00 34.52 H ATOM 27 HE1 TRP A 2 5.524 2.769 -1.771 1.00 50.14 H ATOM 28 HE3 TRP A 2 2.701 5.713 -5.228 1.00 72.52 H ATOM 29 HZ2 TRP A 2 5.914 5.542 -1.419 1.00 12.44 H ATOM 30 HZ3 TRP A 2 3.609 7.772 -4.234 1.00 31.34 H ATOM 31 HH2 TRP A 2 5.182 7.686 -2.368 1.00 14.30 H ATOM 32 N LYS A 3 -0.157 0.107 -5.611 1.00 63.14 N ATOM 33 CA LYS A 3 -0.956 -0.565 -6.629 1.00 31.32 C ATOM 34 C LYS A 3 -1.749 0.444 -7.452 1.00 55.32 C ATOM 35 O LYS A 3 -1.807 0.351 -8.678 1.00 44.24 O ATOM 36 CB LYS A 3 -1.910 -1.569 -5.977 1.00 24.23 C ATOM 37 CG LYS A 3 -2.590 -1.038 -4.727 1.00 21.32 C ATOM 38 CD LYS A 3 -3.613 -2.024 -4.188 1.00 11.14 C ATOM 39 CE LYS A 3 -3.455 -2.227 -2.689 1.00 30.15 C ATOM 40 NZ LYS A 3 -2.225 -3.000 -2.360 1.00 73.22 N ATOM 41 H LYS A 3 -0.166 -0.236 -4.693 1.00 24.32 H ATOM 42 HA LYS A 3 -0.282 -1.095 -7.284 1.00 23.51 H ATOM 43 HB2 LYS A 3 -2.674 -1.838 -6.691 1.00 41.20 H ATOM 44 HB3 LYS A 3 -1.352 -2.455 -5.709 1.00 20.21 H ATOM 45 HG2 LYS A 3 -1.842 -0.861 -3.968 1.00 71.42 H ATOM 46 HG3 LYS A 3 -3.089 -0.110 -4.966 1.00 70.14 H ATOM 47 HD2 LYS A 3 -4.605 -1.645 -4.385 1.00 43.42 H ATOM 48 HD3 LYS A 3 -3.483 -2.974 -4.687 1.00 2.23 H ATOM 49 HE2 LYS A 3 -3.400 -1.261 -2.211 1.00 54.22 H ATOM 50 HE3 LYS A 3 -4.317 -2.763 -2.319 1.00 24.15 H ATOM 51 HZ1 LYS A 3 -1.784 -3.356 -3.232 1.00 24.45 H ATOM 52 HZ2 LYS A 3 -2.464 -3.808 -1.750 1.00 2.24 H ATOM 53 HZ3 LYS A 3 -1.544 -2.393 -1.862 1.00 0.02 H ATOM 54 N ARG A 4 -2.359 1.409 -6.770 1.00 63.24 N ATOM 55 CA ARG A 4 -3.148 2.436 -7.439 1.00 72.24 C ATOM 56 C ARG A 4 -2.644 3.830 -7.079 1.00 12.13 C ATOM 57 O ARG A 4 -1.779 4.385 -7.757 1.00 73.53 O ATOM 58 CB ARG A 4 -4.624 2.302 -7.061 1.00 33.32 C ATOM 59 CG ARG A 4 -4.850 1.631 -5.716 1.00 24.14 C ATOM 60 CD ARG A 4 -6.163 2.070 -5.087 1.00 61.11 C ATOM 61 NE ARG A 4 -7.234 1.106 -5.327 1.00 4.11 N ATOM 62 CZ ARG A 4 -7.397 -0.003 -4.614 1.00 71.14 C ATOM 63 NH1 ARG A 4 -6.564 -0.287 -3.623 1.00 11.34 N ATOM 64 NH2 ARG A 4 -8.396 -0.831 -4.893 1.00 42.03 N ATOM 65 H ARG A 4 -2.276 1.430 -5.794 1.00 51.00 H ATOM 66 HA ARG A 4 -3.045 2.293 -8.505 1.00 25.25 H ATOM 67 HB2 ARG A 4 -5.066 3.287 -7.025 1.00 60.22 H ATOM 68 HB3 ARG A 4 -5.126 1.718 -7.818 1.00 40.30 H ATOM 69 HG2 ARG A 4 -4.871 0.560 -5.857 1.00 12.33 H ATOM 70 HG3 ARG A 4 -4.038 1.892 -5.053 1.00 40.52 H ATOM 71 HD2 ARG A 4 -6.019 2.176 -4.022 1.00 52.22 H ATOM 72 HD3 ARG A 4 -6.447 3.022 -5.509 1.00 12.54 H ATOM 73 HE ARG A 4 -7.861 1.296 -6.055 1.00 44.11 H ATOM 74 HH11 ARG A 4 -5.811 0.336 -3.410 1.00 33.14 H ATOM 75 HH12 ARG A 4 -6.690 -1.122 -3.087 1.00 12.01 H ATOM 76 HH21 ARG A 4 -9.026 -0.620 -5.640 1.00 61.41 H ATOM 77 HH22 ARG A 4 -8.518 -1.665 -4.357 1.00 21.42 H ATOM 78 N LYS A 5 -3.191 4.392 -6.006 1.00 51.22 N ATOM 79 CA LYS A 5 -2.798 5.721 -5.554 1.00 3.25 C ATOM 80 C LYS A 5 -2.520 5.725 -4.054 1.00 1.03 C ATOM 81 O LYS A 5 -2.264 6.774 -3.463 1.00 44.42 O ATOM 82 CB LYS A 5 -3.892 6.739 -5.883 1.00 2.31 C ATOM 83 CG LYS A 5 -5.270 6.330 -5.393 1.00 53.54 C ATOM 84 CD LYS A 5 -5.472 6.689 -3.931 1.00 24.14 C ATOM 85 CE LYS A 5 -6.021 5.512 -3.139 1.00 11.21 C ATOM 86 NZ LYS A 5 -7.019 5.945 -2.122 1.00 54.34 N ATOM 87 H LYS A 5 -3.876 3.900 -5.506 1.00 12.22 H ATOM 88 HA LYS A 5 -1.894 5.995 -6.076 1.00 4.43 H ATOM 89 HB2 LYS A 5 -3.636 7.684 -5.427 1.00 53.50 H ATOM 90 HB3 LYS A 5 -3.937 6.867 -6.955 1.00 2.00 H ATOM 91 HG2 LYS A 5 -6.018 6.840 -5.984 1.00 23.44 H ATOM 92 HG3 LYS A 5 -5.382 5.262 -5.512 1.00 21.04 H ATOM 93 HD2 LYS A 5 -4.523 6.982 -3.507 1.00 25.55 H ATOM 94 HD3 LYS A 5 -6.167 7.513 -3.863 1.00 54.34 H ATOM 95 HE2 LYS A 5 -6.492 4.824 -3.823 1.00 74.51 H ATOM 96 HE3 LYS A 5 -5.201 5.018 -2.639 1.00 34.15 H ATOM 97 HZ1 LYS A 5 -7.502 6.810 -2.441 1.00 31.51 H ATOM 98 HZ2 LYS A 5 -6.546 6.139 -1.217 1.00 23.02 H ATOM 99 HZ3 LYS A 5 -7.728 5.199 -1.977 1.00 32.51 H ATOM 100 N ARG A 6 -2.571 4.545 -3.444 1.00 10.30 N ATOM 101 CA ARG A 6 -2.325 4.413 -2.013 1.00 45.41 C ATOM 102 C ARG A 6 -1.389 5.513 -1.519 1.00 13.30 C ATOM 103 O ARG A 6 -1.730 6.271 -0.610 1.00 74.23 O ATOM 104 CB ARG A 6 -1.725 3.041 -1.702 1.00 4.13 C ATOM 105 CG ARG A 6 -2.116 2.501 -0.336 1.00 74.21 C ATOM 106 CD ARG A 6 -1.908 3.540 0.755 1.00 61.43 C ATOM 107 NE ARG A 6 -1.727 2.926 2.068 1.00 71.14 N ATOM 108 CZ ARG A 6 -1.861 3.586 3.212 1.00 2.53 C ATOM 109 NH1 ARG A 6 -2.175 4.874 3.205 1.00 12.54 N ATOM 110 NH2 ARG A 6 -1.680 2.958 4.367 1.00 13.41 N ATOM 111 H ARG A 6 -2.780 3.744 -3.969 1.00 14.34 H ATOM 112 HA ARG A 6 -3.272 4.507 -1.503 1.00 64.52 H ATOM 113 HB2 ARG A 6 -2.056 2.337 -2.451 1.00 51.52 H ATOM 114 HB3 ARG A 6 -0.648 3.115 -1.740 1.00 53.22 H ATOM 115 HG2 ARG A 6 -3.159 2.220 -0.356 1.00 12.22 H ATOM 116 HG3 ARG A 6 -1.512 1.633 -0.116 1.00 11.42 H ATOM 117 HD2 ARG A 6 -1.030 4.121 0.516 1.00 12.52 H ATOM 118 HD3 ARG A 6 -2.771 4.187 0.786 1.00 53.21 H ATOM 119 HE ARG A 6 -1.494 1.975 2.096 1.00 74.22 H ATOM 120 HH11 ARG A 6 -2.313 5.350 2.337 1.00 43.02 H ATOM 121 HH12 ARG A 6 -2.276 5.369 4.069 1.00 54.32 H ATOM 122 HH21 ARG A 6 -1.443 1.987 4.376 1.00 15.42 H ATOM 123 HH22 ARG A 6 -1.781 3.456 5.228 1.00 41.31 H ATOM 124 N PHE A 7 -0.208 5.594 -2.123 1.00 55.41 N ATOM 125 CA PHE A 7 0.777 6.600 -1.744 1.00 12.32 C ATOM 126 C PHE A 7 1.139 7.483 -2.935 1.00 25.43 C ATOM 127 O PHE A 7 1.782 8.520 -2.780 1.00 12.44 O ATOM 128 CB PHE A 7 2.035 5.929 -1.190 1.00 63.33 C ATOM 129 CG PHE A 7 1.747 4.730 -0.332 1.00 2.31 C ATOM 130 CD1 PHE A 7 1.451 4.880 1.013 1.00 1.44 C ATOM 131 CD2 PHE A 7 1.772 3.454 -0.870 1.00 73.03 C ATOM 132 CE1 PHE A 7 1.186 3.779 1.805 1.00 4.25 C ATOM 133 CE2 PHE A 7 1.507 2.349 -0.083 1.00 64.11 C ATOM 134 CZ PHE A 7 1.213 2.512 1.256 1.00 3.13 C ATOM 135 H PHE A 7 0.006 4.962 -2.841 1.00 74.01 H ATOM 136 HA PHE A 7 0.340 7.217 -0.974 1.00 11.12 H ATOM 137 HB2 PHE A 7 2.654 5.605 -2.014 1.00 11.22 H ATOM 138 HB3 PHE A 7 2.582 6.643 -0.593 1.00 63.41 H ATOM 139 HD1 PHE A 7 1.429 5.871 1.444 1.00 34.41 H ATOM 140 HD2 PHE A 7 2.002 3.325 -1.919 1.00 14.31 H ATOM 141 HE1 PHE A 7 0.956 3.909 2.852 1.00 5.45 H ATOM 142 HE2 PHE A 7 1.529 1.360 -0.516 1.00 24.20 H ATOM 143 HZ PHE A 7 1.007 1.650 1.873 1.00 2.22 H ATOM 144 N GLY A 8 0.723 7.061 -4.125 1.00 33.11 N ATOM 145 CA GLY A 8 1.013 7.823 -5.325 1.00 61.03 C ATOM 146 C GLY A 8 -0.149 8.698 -5.752 1.00 71.41 C ATOM 147 O GLY A 8 -0.073 9.391 -6.767 1.00 31.45 O ATOM 148 H GLY A 8 0.214 6.225 -4.188 1.00 41.43 H ATOM 149 HA2 GLY A 8 1.873 8.449 -5.142 1.00 2.33 H ATOM 150 HA3 GLY A 8 1.245 7.136 -6.126 1.00 53.44 H TER 151 GLY A 8 ENDMDL MODEL 19 ATOM 1 N GLY A 1 1.423 -0.320 -0.045 1.00 53.05 N ATOM 2 CA GLY A 1 2.210 -0.116 -1.247 1.00 62.03 C ATOM 3 C GLY A 1 1.535 0.819 -2.231 1.00 4.21 C ATOM 4 O GLY A 1 0.443 1.323 -1.969 1.00 3.32 O ATOM 5 H1 GLY A 1 0.474 -0.554 -0.118 1.00 34.12 H ATOM 6 HA2 GLY A 1 3.168 0.299 -0.971 1.00 30.02 H ATOM 7 HA3 GLY A 1 2.368 -1.071 -1.727 1.00 31.02 H ATOM 8 N TRP A 2 2.187 1.053 -3.364 1.00 74.35 N ATOM 9 CA TRP A 2 1.643 1.936 -4.390 1.00 72.31 C ATOM 10 C TRP A 2 0.841 1.146 -5.419 1.00 12.22 C ATOM 11 O TRP A 2 0.830 1.482 -6.603 1.00 55.12 O ATOM 12 CB TRP A 2 2.771 2.702 -5.083 1.00 71.53 C ATOM 13 CG TRP A 2 3.696 3.391 -4.127 1.00 23.44 C ATOM 14 CD1 TRP A 2 4.496 2.800 -3.191 1.00 25.41 C ATOM 15 CD2 TRP A 2 3.915 4.801 -4.012 1.00 21.25 C ATOM 16 NE1 TRP A 2 5.200 3.758 -2.501 1.00 34.40 N ATOM 17 CE2 TRP A 2 4.861 4.993 -2.986 1.00 5.20 C ATOM 18 CE3 TRP A 2 3.406 5.919 -4.676 1.00 54.51 C ATOM 19 CZ2 TRP A 2 5.305 6.258 -2.611 1.00 4.40 C ATOM 20 CZ3 TRP A 2 3.847 7.175 -4.302 1.00 71.55 C ATOM 21 CH2 TRP A 2 4.790 7.336 -3.278 1.00 74.04 C ATOM 22 H TRP A 2 3.054 0.621 -3.516 1.00 12.32 H ATOM 23 HA TRP A 2 0.986 2.642 -3.904 1.00 2.11 H ATOM 24 HB2 TRP A 2 3.355 2.012 -5.674 1.00 43.54 H ATOM 25 HB3 TRP A 2 2.341 3.452 -5.731 1.00 62.35 H ATOM 26 HD1 TRP A 2 4.556 1.735 -3.027 1.00 71.52 H ATOM 27 HE1 TRP A 2 5.840 3.583 -1.780 1.00 5.42 H ATOM 28 HE3 TRP A 2 2.678 5.815 -5.468 1.00 5.50 H ATOM 29 HZ2 TRP A 2 6.032 6.399 -1.824 1.00 50.31 H ATOM 30 HZ3 TRP A 2 3.464 8.051 -4.805 1.00 31.15 H ATOM 31 HH2 TRP A 2 5.105 8.335 -3.020 1.00 25.33 H ATOM 32 N LYS A 3 0.170 0.095 -4.960 1.00 2.03 N ATOM 33 CA LYS A 3 -0.637 -0.742 -5.839 1.00 65.35 C ATOM 34 C LYS A 3 -1.508 0.112 -6.755 1.00 31.32 C ATOM 35 O LYS A 3 -1.608 -0.150 -7.954 1.00 32.14 O ATOM 36 CB LYS A 3 -1.516 -1.686 -5.015 1.00 45.50 C ATOM 37 CG LYS A 3 -2.284 -0.987 -3.906 1.00 61.34 C ATOM 38 CD LYS A 3 -2.137 -1.717 -2.581 1.00 51.44 C ATOM 39 CE LYS A 3 -2.681 -3.135 -2.662 1.00 50.34 C ATOM 40 NZ LYS A 3 -4.093 -3.161 -3.135 1.00 40.00 N ATOM 41 H LYS A 3 0.218 -0.123 -4.005 1.00 3.54 H ATOM 42 HA LYS A 3 0.036 -1.329 -6.447 1.00 35.20 H ATOM 43 HB2 LYS A 3 -2.227 -2.162 -5.673 1.00 32.10 H ATOM 44 HB3 LYS A 3 -0.888 -2.443 -4.568 1.00 34.34 H ATOM 45 HG2 LYS A 3 -1.905 0.018 -3.796 1.00 22.34 H ATOM 46 HG3 LYS A 3 -3.331 -0.952 -4.173 1.00 44.15 H ATOM 47 HD2 LYS A 3 -1.091 -1.759 -2.318 1.00 22.24 H ATOM 48 HD3 LYS A 3 -2.680 -1.175 -1.820 1.00 54.31 H ATOM 49 HE2 LYS A 3 -2.070 -3.702 -3.348 1.00 54.20 H ATOM 50 HE3 LYS A 3 -2.630 -3.582 -1.681 1.00 34.13 H ATOM 51 HZ1 LYS A 3 -4.140 -3.544 -4.100 1.00 61.54 H ATOM 52 HZ2 LYS A 3 -4.487 -2.198 -3.136 1.00 70.31 H ATOM 53 HZ3 LYS A 3 -4.669 -3.758 -2.508 1.00 4.03 H ATOM 54 N ARG A 4 -2.135 1.134 -6.182 1.00 74.13 N ATOM 55 CA ARG A 4 -2.998 2.026 -6.947 1.00 50.23 C ATOM 56 C ARG A 4 -2.555 3.478 -6.790 1.00 22.21 C ATOM 57 O ARG A 4 -1.741 3.978 -7.567 1.00 23.34 O ATOM 58 CB ARG A 4 -4.452 1.874 -6.497 1.00 52.23 C ATOM 59 CG ARG A 4 -4.599 1.377 -5.068 1.00 42.43 C ATOM 60 CD ARG A 4 -5.901 1.854 -4.443 1.00 45.44 C ATOM 61 NE ARG A 4 -6.535 0.814 -3.638 1.00 63.03 N ATOM 62 CZ ARG A 4 -7.657 0.998 -2.952 1.00 73.44 C ATOM 63 NH1 ARG A 4 -8.266 2.175 -2.974 1.00 54.01 N ATOM 64 NH2 ARG A 4 -8.173 0.002 -2.243 1.00 72.20 N ATOM 65 H ARG A 4 -2.016 1.291 -5.222 1.00 51.53 H ATOM 66 HA ARG A 4 -2.922 1.750 -7.988 1.00 62.22 H ATOM 67 HB2 ARG A 4 -4.943 2.834 -6.573 1.00 62.54 H ATOM 68 HB3 ARG A 4 -4.947 1.173 -7.152 1.00 33.12 H ATOM 69 HG2 ARG A 4 -4.588 0.297 -5.069 1.00 43.45 H ATOM 70 HG3 ARG A 4 -3.771 1.747 -4.482 1.00 0.30 H ATOM 71 HD2 ARG A 4 -5.691 2.706 -3.813 1.00 71.04 H ATOM 72 HD3 ARG A 4 -6.576 2.148 -5.233 1.00 13.34 H ATOM 73 HE ARG A 4 -6.101 -0.064 -3.608 1.00 53.12 H ATOM 74 HH11 ARG A 4 -7.881 2.927 -3.509 1.00 24.35 H ATOM 75 HH12 ARG A 4 -9.112 2.310 -2.458 1.00 14.24 H ATOM 76 HH21 ARG A 4 -7.717 -0.887 -2.224 1.00 61.34 H ATOM 77 HH22 ARG A 4 -9.018 0.141 -1.727 1.00 62.11 H ATOM 78 N LYS A 5 -3.096 4.150 -5.780 1.00 13.21 N ATOM 79 CA LYS A 5 -2.757 5.544 -5.519 1.00 13.02 C ATOM 80 C LYS A 5 -2.458 5.763 -4.039 1.00 42.23 C ATOM 81 O LYS A 5 -2.257 6.895 -3.598 1.00 73.11 O ATOM 82 CB LYS A 5 -3.902 6.460 -5.960 1.00 25.24 C ATOM 83 CG LYS A 5 -5.259 6.035 -5.428 1.00 15.43 C ATOM 84 CD LYS A 5 -5.462 6.488 -3.992 1.00 13.54 C ATOM 85 CE LYS A 5 -5.246 7.987 -3.844 1.00 74.21 C ATOM 86 NZ LYS A 5 -6.253 8.606 -2.937 1.00 63.44 N ATOM 87 H LYS A 5 -3.740 3.697 -5.195 1.00 4.04 H ATOM 88 HA LYS A 5 -1.875 5.784 -6.092 1.00 25.31 H ATOM 89 HB2 LYS A 5 -3.699 7.462 -5.612 1.00 21.03 H ATOM 90 HB3 LYS A 5 -3.947 6.465 -7.039 1.00 42.02 H ATOM 91 HG2 LYS A 5 -6.030 6.473 -6.044 1.00 55.42 H ATOM 92 HG3 LYS A 5 -5.331 4.958 -5.469 1.00 74.24 H ATOM 93 HD2 LYS A 5 -6.470 6.250 -3.687 1.00 34.02 H ATOM 94 HD3 LYS A 5 -4.760 5.968 -3.356 1.00 65.14 H ATOM 95 HE2 LYS A 5 -4.260 8.157 -3.442 1.00 45.32 H ATOM 96 HE3 LYS A 5 -5.322 8.446 -4.819 1.00 32.31 H ATOM 97 HZ1 LYS A 5 -6.277 9.635 -3.080 1.00 13.30 H ATOM 98 HZ2 LYS A 5 -6.008 8.409 -1.946 1.00 11.24 H ATOM 99 HZ3 LYS A 5 -7.197 8.217 -3.133 1.00 20.50 H ATOM 100 N ARG A 6 -2.428 4.674 -3.279 1.00 24.14 N ATOM 101 CA ARG A 6 -2.152 4.748 -1.849 1.00 31.11 C ATOM 102 C ARG A 6 -1.243 5.932 -1.531 1.00 35.21 C ATOM 103 O ARG A 6 -1.556 6.754 -0.669 1.00 71.13 O ATOM 104 CB ARG A 6 -1.504 3.449 -1.365 1.00 1.40 C ATOM 105 CG ARG A 6 -2.295 2.203 -1.725 1.00 72.41 C ATOM 106 CD ARG A 6 -2.204 1.150 -0.632 1.00 30.23 C ATOM 107 NE ARG A 6 -3.521 0.671 -0.222 1.00 34.31 N ATOM 108 CZ ARG A 6 -3.707 -0.327 0.636 1.00 43.34 C ATOM 109 NH1 ARG A 6 -2.665 -0.947 1.171 1.00 4.14 N ATOM 110 NH2 ARG A 6 -4.937 -0.705 0.959 1.00 23.21 N ATOM 111 H ARG A 6 -2.595 3.800 -3.688 1.00 75.53 H ATOM 112 HA ARG A 6 -3.093 4.883 -1.336 1.00 44.22 H ATOM 113 HB2 ARG A 6 -0.521 3.365 -1.806 1.00 34.04 H ATOM 114 HB3 ARG A 6 -1.406 3.489 -0.291 1.00 4.23 H ATOM 115 HG2 ARG A 6 -3.332 2.473 -1.864 1.00 23.23 H ATOM 116 HG3 ARG A 6 -1.902 1.791 -2.643 1.00 54.30 H ATOM 117 HD2 ARG A 6 -1.627 0.315 -1.001 1.00 52.12 H ATOM 118 HD3 ARG A 6 -1.706 1.581 0.224 1.00 63.14 H ATOM 119 HE ARG A 6 -4.306 1.115 -0.606 1.00 5.02 H ATOM 120 HH11 ARG A 6 -1.737 -0.663 0.930 1.00 23.22 H ATOM 121 HH12 ARG A 6 -2.807 -1.697 1.818 1.00 42.12 H ATOM 122 HH21 ARG A 6 -5.725 -0.240 0.557 1.00 3.24 H ATOM 123 HH22 ARG A 6 -5.075 -1.456 1.604 1.00 11.13 H ATOM 124 N PHE A 7 -0.117 6.012 -2.232 1.00 32.43 N ATOM 125 CA PHE A 7 0.838 7.094 -2.023 1.00 72.23 C ATOM 126 C PHE A 7 1.098 7.848 -3.324 1.00 71.31 C ATOM 127 O PHE A 7 1.688 8.927 -3.321 1.00 52.35 O ATOM 128 CB PHE A 7 2.153 6.542 -1.469 1.00 12.13 C ATOM 129 CG PHE A 7 1.965 5.436 -0.470 1.00 61.34 C ATOM 130 CD1 PHE A 7 1.493 5.707 0.804 1.00 61.13 C ATOM 131 CD2 PHE A 7 2.261 4.124 -0.806 1.00 3.30 C ATOM 132 CE1 PHE A 7 1.319 4.691 1.725 1.00 51.13 C ATOM 133 CE2 PHE A 7 2.089 3.104 0.111 1.00 53.44 C ATOM 134 CZ PHE A 7 1.618 3.388 1.378 1.00 41.22 C ATOM 135 H PHE A 7 0.076 5.326 -2.905 1.00 24.20 H ATOM 136 HA PHE A 7 0.412 7.777 -1.304 1.00 61.54 H ATOM 137 HB2 PHE A 7 2.745 6.155 -2.284 1.00 41.32 H ATOM 138 HB3 PHE A 7 2.693 7.341 -0.983 1.00 64.44 H ATOM 139 HD1 PHE A 7 1.259 6.727 1.076 1.00 31.43 H ATOM 140 HD2 PHE A 7 2.630 3.901 -1.796 1.00 64.22 H ATOM 141 HE1 PHE A 7 0.951 4.917 2.715 1.00 72.24 H ATOM 142 HE2 PHE A 7 2.324 2.087 -0.163 1.00 74.40 H ATOM 143 HZ PHE A 7 1.482 2.593 2.095 1.00 1.05 H ATOM 144 N GLY A 8 0.653 7.269 -4.436 1.00 1.33 N ATOM 145 CA GLY A 8 0.847 7.899 -5.729 1.00 3.24 C ATOM 146 C GLY A 8 -0.412 8.568 -6.243 1.00 11.03 C ATOM 147 O GLY A 8 -0.657 9.742 -5.964 1.00 74.43 O ATOM 148 H GLY A 8 0.189 6.408 -4.377 1.00 63.33 H ATOM 149 HA2 GLY A 8 1.627 8.641 -5.642 1.00 11.22 H ATOM 150 HA3 GLY A 8 1.157 7.147 -6.439 1.00 43.35 H TER 151 GLY A 8 ENDMDL MODEL 20 ATOM 1 N GLY A 1 3.397 -0.042 -1.256 1.00 1.01 N ATOM 2 CA GLY A 1 1.974 -0.282 -1.404 1.00 34.53 C ATOM 3 C GLY A 1 1.314 0.703 -2.348 1.00 62.45 C ATOM 4 O GLY A 1 0.237 1.224 -2.059 1.00 44.22 O ATOM 5 H1 GLY A 1 4.041 -0.660 -1.660 1.00 62.42 H ATOM 6 HA2 GLY A 1 1.826 -1.283 -1.783 1.00 1.24 H ATOM 7 HA3 GLY A 1 1.504 -0.203 -0.434 1.00 42.32 H ATOM 8 N TRP A 2 1.962 0.959 -3.479 1.00 73.12 N ATOM 9 CA TRP A 2 1.432 1.890 -4.469 1.00 13.00 C ATOM 10 C TRP A 2 0.598 1.157 -5.514 1.00 51.21 C ATOM 11 O TRP A 2 0.580 1.535 -6.686 1.00 1.33 O ATOM 12 CB TRP A 2 2.573 2.648 -5.149 1.00 61.20 C ATOM 13 CG TRP A 2 3.529 3.276 -4.181 1.00 23.44 C ATOM 14 CD1 TRP A 2 4.319 2.629 -3.273 1.00 15.25 C ATOM 15 CD2 TRP A 2 3.795 4.674 -4.023 1.00 20.42 C ATOM 16 NE1 TRP A 2 5.059 3.541 -2.560 1.00 11.43 N ATOM 17 CE2 TRP A 2 4.757 4.802 -3.002 1.00 13.24 C ATOM 18 CE3 TRP A 2 3.316 5.829 -4.646 1.00 70.11 C ATOM 19 CZ2 TRP A 2 5.245 6.040 -2.591 1.00 60.30 C ATOM 20 CZ3 TRP A 2 3.801 7.056 -4.237 1.00 44.43 C ATOM 21 CH2 TRP A 2 4.758 7.154 -3.218 1.00 44.34 C ATOM 22 H TRP A 2 2.817 0.512 -3.653 1.00 74.32 H ATOM 23 HA TRP A 2 0.800 2.597 -3.952 1.00 53.33 H ATOM 24 HB2 TRP A 2 3.130 1.964 -5.772 1.00 3.13 H ATOM 25 HB3 TRP A 2 2.158 3.433 -5.765 1.00 34.44 H ATOM 26 HD1 TRP A 2 4.345 1.558 -3.143 1.00 52.15 H ATOM 27 HE1 TRP A 2 5.700 3.324 -1.851 1.00 64.51 H ATOM 28 HE3 TRP A 2 2.579 5.774 -5.433 1.00 75.13 H ATOM 29 HZ2 TRP A 2 5.983 6.132 -1.808 1.00 21.34 H ATOM 30 HZ3 TRP A 2 3.442 7.960 -4.707 1.00 44.41 H ATOM 31 HH2 TRP A 2 5.109 8.133 -2.931 1.00 40.53 H ATOM 32 N LYS A 3 -0.093 0.107 -5.084 1.00 24.25 N ATOM 33 CA LYS A 3 -0.930 -0.679 -5.982 1.00 35.04 C ATOM 34 C LYS A 3 -1.801 0.227 -6.846 1.00 42.51 C ATOM 35 O LYS A 3 -1.934 0.011 -8.051 1.00 34.44 O ATOM 36 CB LYS A 3 -1.813 -1.638 -5.180 1.00 33.20 C ATOM 37 CG LYS A 3 -2.551 -0.970 -4.033 1.00 34.43 C ATOM 38 CD LYS A 3 -2.392 -1.750 -2.738 1.00 45.50 C ATOM 39 CE LYS A 3 -3.617 -1.610 -1.849 1.00 35.24 C ATOM 40 NZ LYS A 3 -4.610 -2.692 -2.098 1.00 64.40 N ATOM 41 H LYS A 3 -0.038 -0.146 -4.138 1.00 1.25 H ATOM 42 HA LYS A 3 -0.281 -1.253 -6.624 1.00 65.41 H ATOM 43 HB2 LYS A 3 -2.544 -2.076 -5.844 1.00 63.21 H ATOM 44 HB3 LYS A 3 -1.193 -2.424 -4.773 1.00 11.35 H ATOM 45 HG2 LYS A 3 -2.156 0.025 -3.892 1.00 61.45 H ATOM 46 HG3 LYS A 3 -3.602 -0.911 -4.279 1.00 11.31 H ATOM 47 HD2 LYS A 3 -2.247 -2.794 -2.972 1.00 13.13 H ATOM 48 HD3 LYS A 3 -1.528 -1.375 -2.207 1.00 43.00 H ATOM 49 HE2 LYS A 3 -3.304 -1.652 -0.817 1.00 11.12 H ATOM 50 HE3 LYS A 3 -4.082 -0.655 -2.045 1.00 61.24 H ATOM 51 HZ1 LYS A 3 -4.845 -3.174 -1.207 1.00 61.11 H ATOM 52 HZ2 LYS A 3 -4.218 -3.389 -2.764 1.00 30.02 H ATOM 53 HZ3 LYS A 3 -5.479 -2.293 -2.504 1.00 55.11 H ATOM 54 N ARG A 4 -2.389 1.244 -6.224 1.00 74.20 N ATOM 55 CA ARG A 4 -3.246 2.183 -6.937 1.00 55.12 C ATOM 56 C ARG A 4 -2.759 3.616 -6.746 1.00 52.44 C ATOM 57 O ARG A 4 -1.944 4.115 -7.522 1.00 43.23 O ATOM 58 CB ARG A 4 -4.692 2.056 -6.453 1.00 71.24 C ATOM 59 CG ARG A 4 -4.815 1.520 -5.036 1.00 52.23 C ATOM 60 CD ARG A 4 -6.089 2.009 -4.365 1.00 33.42 C ATOM 61 NE ARG A 4 -7.278 1.355 -4.906 1.00 11.13 N ATOM 62 CZ ARG A 4 -7.620 0.103 -4.625 1.00 70.41 C ATOM 63 NH1 ARG A 4 -6.868 -0.628 -3.814 1.00 4.44 N ATOM 64 NH2 ARG A 4 -8.717 -0.422 -5.156 1.00 51.23 N ATOM 65 H ARG A 4 -2.245 1.364 -5.262 1.00 44.52 H ATOM 66 HA ARG A 4 -3.205 1.938 -7.988 1.00 10.21 H ATOM 67 HB2 ARG A 4 -5.158 3.030 -6.488 1.00 74.42 H ATOM 68 HB3 ARG A 4 -5.223 1.388 -7.115 1.00 23.21 H ATOM 69 HG2 ARG A 4 -4.830 0.441 -5.069 1.00 71.22 H ATOM 70 HG3 ARG A 4 -3.965 1.853 -4.461 1.00 5.24 H ATOM 71 HD2 ARG A 4 -6.026 1.800 -3.307 1.00 44.33 H ATOM 72 HD3 ARG A 4 -6.175 3.074 -4.517 1.00 45.11 H ATOM 73 HE ARG A 4 -7.848 1.877 -5.508 1.00 34.53 H ATOM 74 HH11 ARG A 4 -6.041 -0.235 -3.411 1.00 51.30 H ATOM 75 HH12 ARG A 4 -7.128 -1.570 -3.603 1.00 30.21 H ATOM 76 HH21 ARG A 4 -9.287 0.126 -5.768 1.00 61.44 H ATOM 77 HH22 ARG A 4 -8.973 -1.364 -4.945 1.00 35.43 H ATOM 78 N LYS A 5 -3.265 4.274 -5.709 1.00 2.43 N ATOM 79 CA LYS A 5 -2.882 5.650 -5.414 1.00 43.10 C ATOM 80 C LYS A 5 -2.554 5.819 -3.934 1.00 34.52 C ATOM 81 O LYS A 5 -2.313 6.931 -3.465 1.00 32.15 O ATOM 82 CB LYS A 5 -4.005 6.610 -5.811 1.00 52.33 C ATOM 83 CG LYS A 5 -5.367 6.210 -5.271 1.00 30.02 C ATOM 84 CD LYS A 5 -5.536 6.628 -3.820 1.00 22.44 C ATOM 85 CE LYS A 5 -5.274 8.114 -3.634 1.00 14.45 C ATOM 86 NZ LYS A 5 -6.249 8.736 -2.695 1.00 31.45 N ATOM 87 H LYS A 5 -3.911 3.823 -5.126 1.00 34.03 H ATOM 88 HA LYS A 5 -2.001 5.881 -5.994 1.00 22.43 H ATOM 89 HB2 LYS A 5 -3.769 7.596 -5.439 1.00 24.04 H ATOM 90 HB3 LYS A 5 -4.066 6.648 -6.890 1.00 20.45 H ATOM 91 HG2 LYS A 5 -6.134 6.687 -5.863 1.00 2.01 H ATOM 92 HG3 LYS A 5 -5.471 5.136 -5.341 1.00 42.45 H ATOM 93 HD2 LYS A 5 -6.546 6.409 -3.506 1.00 41.42 H ATOM 94 HD3 LYS A 5 -4.839 6.069 -3.210 1.00 53.31 H ATOM 95 HE2 LYS A 5 -4.277 8.245 -3.242 1.00 53.12 H ATOM 96 HE3 LYS A 5 -5.351 8.603 -4.594 1.00 30.22 H ATOM 97 HZ1 LYS A 5 -6.727 9.537 -3.154 1.00 31.23 H ATOM 98 HZ2 LYS A 5 -5.757 9.080 -1.845 1.00 61.42 H ATOM 99 HZ3 LYS A 5 -6.964 8.037 -2.408 1.00 1.12 H ATOM 100 N ARG A 6 -2.547 4.708 -3.204 1.00 25.10 N ATOM 101 CA ARG A 6 -2.248 4.733 -1.777 1.00 53.31 C ATOM 102 C ARG A 6 -1.300 5.880 -1.440 1.00 44.14 C ATOM 103 O ARG A 6 -1.575 6.687 -0.552 1.00 61.11 O ATOM 104 CB ARG A 6 -1.633 3.403 -1.339 1.00 70.12 C ATOM 105 CG ARG A 6 -2.520 2.201 -1.618 1.00 60.43 C ATOM 106 CD ARG A 6 -2.815 1.419 -0.348 1.00 21.03 C ATOM 107 NE ARG A 6 -1.614 0.797 0.203 1.00 31.43 N ATOM 108 CZ ARG A 6 -1.606 0.073 1.317 1.00 35.31 C ATOM 109 NH1 ARG A 6 -2.730 -0.119 1.995 1.00 61.24 N ATOM 110 NH2 ARG A 6 -0.473 -0.461 1.755 1.00 75.30 N ATOM 111 H ARG A 6 -2.747 3.851 -3.635 1.00 62.20 H ATOM 112 HA ARG A 6 -3.177 4.882 -1.247 1.00 2.34 H ATOM 113 HB2 ARG A 6 -0.699 3.262 -1.862 1.00 45.13 H ATOM 114 HB3 ARG A 6 -1.440 3.442 -0.278 1.00 21.22 H ATOM 115 HG2 ARG A 6 -3.453 2.543 -2.041 1.00 43.34 H ATOM 116 HG3 ARG A 6 -2.020 1.552 -2.322 1.00 41.00 H ATOM 117 HD2 ARG A 6 -3.228 2.094 0.387 1.00 41.22 H ATOM 118 HD3 ARG A 6 -3.537 0.649 -0.574 1.00 61.25 H ATOM 119 HE ARG A 6 -0.773 0.926 -0.281 1.00 62.35 H ATOM 120 HH11 ARG A 6 -3.585 0.281 1.666 1.00 12.24 H ATOM 121 HH12 ARG A 6 -2.722 -0.666 2.832 1.00 3.33 H ATOM 122 HH21 ARG A 6 0.375 -0.319 1.247 1.00 63.03 H ATOM 123 HH22 ARG A 6 -0.469 -1.006 2.593 1.00 3.31 H ATOM 124 N PHE A 7 -0.181 5.945 -2.155 1.00 54.55 N ATOM 125 CA PHE A 7 0.809 6.992 -1.932 1.00 10.13 C ATOM 126 C PHE A 7 1.074 7.773 -3.215 1.00 44.15 C ATOM 127 O PHE A 7 1.703 8.831 -3.193 1.00 72.51 O ATOM 128 CB PHE A 7 2.114 6.386 -1.411 1.00 51.01 C ATOM 129 CG PHE A 7 1.906 5.255 -0.445 1.00 11.23 C ATOM 130 CD1 PHE A 7 1.469 5.502 0.847 1.00 73.53 C ATOM 131 CD2 PHE A 7 2.148 3.946 -0.828 1.00 23.24 C ATOM 132 CE1 PHE A 7 1.276 4.463 1.738 1.00 11.15 C ATOM 133 CE2 PHE A 7 1.957 2.903 0.059 1.00 10.45 C ATOM 134 CZ PHE A 7 1.521 3.162 1.344 1.00 5.54 C ATOM 135 H PHE A 7 -0.018 5.273 -2.850 1.00 53.11 H ATOM 136 HA PHE A 7 0.414 7.668 -1.189 1.00 21.43 H ATOM 137 HB2 PHE A 7 2.685 6.008 -2.246 1.00 31.25 H ATOM 138 HB3 PHE A 7 2.683 7.153 -0.909 1.00 3.33 H ATOM 139 HD1 PHE A 7 1.276 6.519 1.156 1.00 5.42 H ATOM 140 HD2 PHE A 7 2.490 3.742 -1.832 1.00 20.43 H ATOM 141 HE1 PHE A 7 0.935 4.670 2.742 1.00 23.53 H ATOM 142 HE2 PHE A 7 2.150 1.887 -0.251 1.00 11.31 H ATOM 143 HZ PHE A 7 1.371 2.350 2.039 1.00 31.22 H ATOM 144 N GLY A 8 0.591 7.243 -4.335 1.00 33.33 N ATOM 145 CA GLY A 8 0.786 7.902 -5.613 1.00 30.12 C ATOM 146 C GLY A 8 0.360 9.356 -5.586 1.00 40.40 C ATOM 147 O GLY A 8 0.271 10.003 -6.630 1.00 13.15 O ATOM 148 H GLY A 8 0.097 6.397 -4.292 1.00 62.12 H ATOM 149 HA2 GLY A 8 1.832 7.848 -5.877 1.00 15.50 H ATOM 150 HA3 GLY A 8 0.208 7.384 -6.364 1.00 62.41 H TER 151 GLY A 8 ENDMDL MASTER 144 0 0 0 0 0 0 6 73 1 0 1 END