HEADER VIRAL PROTEIN 10-APR-08 SMS20019 TITLE NMR STRUCTURE OF A V3 (MN ISOLATE) PEPTIDE COMPND MOL_ID: 1; COMPND 2 MOLECULE: ENVELOPE GLYCOPROTEIN GP160; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: PND DOMAIN, UNP RESIDUES 309-321; COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: V3 (MN ISOLATE) PEPTIDE SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; SOURCE 4 ORGANISM_COMMON: HIV; SOURCE 5 ORGANISM_TAXID: 11676; SOURCE 6 OTHER_DETAILS: SYNTHESIZED USING F-MOC/TBU CHEMISTRY KEYWDS U-SHAPE LIKE PEPTIDE, GPGR TURN, VIRAL PROTEIN EXPDTA SOLUTION NMR NUMMDL 21 MDLTYP MINIMIZED AVERAGE AUTHOR P.A.GALANAKIS,N.G.KANDIAS,A.RIZOS,D.MORIKIS,E.KRAMBOVITIS, AUTHOR 2 G.A.SPYROULIAS JRNL AUTH P.A.GALANAKIS,N.G.KANDIAS,A.K.RIZOS,D.MORIKIS,E.KRAMBOVITIS, JRNL AUTH 2 G.A.SPYROULIAS JRNL TITL NMR EVIDENCE OF CHARGE-DEPENDENT INTERACTION BETWEEN VARIOUS JRNL TITL 2 PND V3 AND CCR5 N-TERMINAL PEPTIDES JRNL REF BIOPOLYMERS V. 92 94 2009 JRNL REFN ISSN 0006-3525 JRNL PMID 19117029 JRNL DOI 10.1002/BIP.21127 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 5.0 REMARK 3 AUTHORS : CASE, DARDEN, CHEATHAM, III, SIMMERLING, WANG, REMARK 3 DUKE, LUO, ... AND KOLLM 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 09-SEP-10. REMARK 100 THE BMRB ID CODE IS SMS20019. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 278; 286 REMARK 210 PH : 7.85; 7.85 REMARK 210 IONIC STRENGTH : NULL; NULL REMARK 210 PRESSURE : NULL; NULL REMARK 210 SAMPLE CONTENTS : 2-2.5MM PND MN; 90% H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-15N HSQC; 2D 1H-13C HSQC; REMARK 210 2D 1H-1H TOCSY; 2D 1H-1H NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 700 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DYANA, XEASY, XWINNMR REMARK 210 METHOD USED : ENERGY MINIMIZATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 400 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 21 REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 1 LYS A 2 179.19 179.81 REMARK 500 1 PRO A 8 45.93 -82.60 REMARK 500 1 ALA A 11 152.94 163.67 REMARK 500 2 ALA A 11 149.45 159.74 REMARK 500 3 PRO A 8 47.15 -83.55 REMARK 500 4 ALA A 11 148.48 155.64 REMARK 500 5 ALA A 11 149.92 161.98 REMARK 500 6 ARG A 3 -177.05 52.25 REMARK 500 6 ALA A 11 143.99 161.25 REMARK 500 7 PRO A 8 30.59 -82.60 REMARK 500 7 ARG A 10 -30.60 -132.72 REMARK 500 7 ALA A 11 160.58 161.95 REMARK 500 8 ARG A 10 -30.21 -133.48 REMARK 500 8 ALA A 11 161.61 161.93 REMARK 500 9 LYS A 2 -154.20 50.04 REMARK 500 9 PRO A 8 31.38 -82.72 REMARK 500 9 ARG A 10 -32.54 -130.82 REMARK 500 9 ALA A 11 160.88 163.37 REMARK 500 10 LYS A 2 -153.90 48.23 REMARK 500 10 ALA A 11 162.53 165.12 REMARK 500 11 ARG A 3 164.78 60.06 REMARK 500 11 ARG A 10 -30.05 -133.49 REMARK 500 11 ALA A 11 163.34 162.67 REMARK 500 12 LYS A 2 -169.75 81.11 REMARK 500 12 ALA A 11 162.42 160.74 REMARK 500 14 ALA A 11 155.81 174.81 REMARK 500 15 LYS A 2 159.65 83.33 REMARK 500 15 ARG A 3 174.20 54.83 REMARK 500 15 ALA A 11 155.67 174.96 REMARK 500 16 ALA A 11 154.45 174.40 REMARK 500 17 ALA A 11 144.40 155.40 REMARK 500 18 ALA A 11 171.61 169.81 REMARK 500 19 ALA A 11 155.08 170.58 REMARK 500 20 ALA A 11 151.06 170.13 REMARK 500 21 ARG A 3 -179.77 54.05 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 1 ARG A 1 0.11 SIDE CHAIN REMARK 500 1 TYR A 13 0.09 SIDE CHAIN REMARK 500 7 ARG A 10 0.09 SIDE CHAIN REMARK 500 7 TYR A 13 0.09 SIDE CHAIN REMARK 500 8 ARG A 10 0.08 SIDE CHAIN REMARK 500 8 TYR A 13 0.10 SIDE CHAIN REMARK 500 9 ARG A 10 0.10 SIDE CHAIN REMARK 500 9 TYR A 13 0.08 SIDE CHAIN REMARK 500 10 TYR A 13 0.07 SIDE CHAIN REMARK 500 11 TYR A 13 0.10 SIDE CHAIN REMARK 500 12 ARG A 10 0.08 SIDE CHAIN REMARK 500 12 TYR A 13 0.09 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 20019 RELATED DB: BMRB REMARK 900 RELATED ID: 20015 RELATED DB: BMRB REMARK 900 V3 (SF2 ISOLATE) PEPTIDE REMARK 900 RELATED ID: 20020 RELATED DB: BMRB REMARK 900 V3 (LAI ISOLATE) PEPTIDE DBREF A 1 13 UNP Q9YUL5 Q9YUL5_9HIV1 309 321 SEQRES 1 A 13 ARG LYS ARG ILE HIS ILE GLY PRO GLY ARG ALA PHE TYR 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 ARG A 1 -4.701 -8.826 9.626 1.00 3.85 N ATOM 2 CA ARG A 1 -3.638 -8.367 8.707 1.00 3.28 C ATOM 3 C ARG A 1 -4.226 -7.303 7.785 1.00 2.22 C ATOM 4 O ARG A 1 -5.195 -6.667 8.191 1.00 2.78 O ATOM 5 CB ARG A 1 -2.973 -9.539 7.964 1.00 4.11 C ATOM 6 CG ARG A 1 -1.471 -9.258 7.830 1.00 4.99 C ATOM 7 CD ARG A 1 -0.730 -10.364 7.070 1.00 6.03 C ATOM 8 NE ARG A 1 0.608 -10.548 7.655 1.00 7.13 N ATOM 9 CZ ARG A 1 0.953 -11.514 8.519 1.00 8.17 C ATOM 10 NH1 ARG A 1 0.236 -12.634 8.607 1.00 8.49 N ATOM 11 NH2 ARG A 1 2.009 -11.343 9.314 1.00 9.19 N ATOM 12 H1 ARG A 1 -5.404 -9.338 9.112 1.00 4.05 H ATOM 13 H2 ARG A 1 -4.312 -9.407 10.355 1.00 4.56 H ATOM 14 H3 ARG A 1 -5.143 -8.013 10.036 1.00 3.76 H ATOM 15 HA ARG A 1 -2.874 -7.880 9.314 1.00 3.64 H ATOM 16 HB2 ARG A 1 -3.092 -10.453 8.548 1.00 4.67 H ATOM 17 HB3 ARG A 1 -3.430 -9.694 6.985 1.00 4.26 H ATOM 18 HG2 ARG A 1 -1.294 -8.307 7.329 1.00 5.09 H ATOM 19 HG3 ARG A 1 -1.061 -9.184 8.839 1.00 5.37 H ATOM 20 HD2 ARG A 1 -1.305 -11.286 7.121 1.00 6.38 H ATOM 21 HD3 ARG A 1 -0.636 -10.079 6.020 1.00 5.96 H ATOM 22 HE ARG A 1 1.251 -9.786 7.490 1.00 7.31 H ATOM 23 HH11 ARG A 1 -0.495 -12.818 7.938 1.00 8.00 H ATOM 24 HH12 ARG A 1 0.468 -13.371 9.256 1.00 9.47 H ATOM 25 HH21 ARG A 1 2.551 -10.491 9.290 1.00 9.27 H ATOM 26 HH22 ARG A 1 2.282 -12.041 9.989 1.00 10.09 H ATOM 27 N LYS A 2 -3.636 -7.067 6.609 1.00 1.45 N ATOM 28 CA LYS A 2 -4.022 -6.047 5.638 1.00 0.89 C ATOM 29 C LYS A 2 -3.064 -6.144 4.451 1.00 0.66 C ATOM 30 O LYS A 2 -2.208 -7.027 4.433 1.00 1.72 O ATOM 31 CB LYS A 2 -4.079 -4.642 6.264 1.00 1.85 C ATOM 32 CG LYS A 2 -2.939 -4.291 7.237 1.00 2.83 C ATOM 33 CD LYS A 2 -3.421 -3.274 8.278 1.00 3.92 C ATOM 34 CE LYS A 2 -4.482 -3.890 9.206 1.00 4.64 C ATOM 35 NZ LYS A 2 -4.891 -2.964 10.285 1.00 6.04 N ATOM 36 H LYS A 2 -2.844 -7.620 6.306 1.00 2.12 H ATOM 37 HA LYS A 2 -5.021 -6.282 5.275 1.00 1.54 H ATOM 38 HB2 LYS A 2 -4.111 -3.882 5.483 1.00 2.65 H ATOM 39 HB3 LYS A 2 -5.033 -4.570 6.778 1.00 2.50 H ATOM 40 HG2 LYS A 2 -2.574 -5.166 7.772 1.00 2.89 H ATOM 41 HG3 LYS A 2 -2.105 -3.873 6.671 1.00 3.74 H ATOM 42 HD2 LYS A 2 -2.562 -2.959 8.872 1.00 4.48 H ATOM 43 HD3 LYS A 2 -3.835 -2.408 7.760 1.00 4.47 H ATOM 44 HE2 LYS A 2 -5.365 -4.162 8.625 1.00 4.74 H ATOM 45 HE3 LYS A 2 -4.082 -4.806 9.644 1.00 4.73 H ATOM 46 HZ1 LYS A 2 -4.105 -2.751 10.884 1.00 6.64 H ATOM 47 HZ2 LYS A 2 -5.621 -3.387 10.844 1.00 6.53 H ATOM 48 HZ3 LYS A 2 -5.247 -2.103 9.891 1.00 6.46 H ATOM 49 N ARG A 3 -3.259 -5.300 3.437 1.00 0.73 N ATOM 50 CA ARG A 3 -2.423 -5.295 2.246 1.00 0.56 C ATOM 51 C ARG A 3 -1.100 -4.615 2.594 1.00 0.44 C ATOM 52 O ARG A 3 -0.916 -4.152 3.718 1.00 0.53 O ATOM 53 CB ARG A 3 -3.143 -4.568 1.096 1.00 0.95 C ATOM 54 CG ARG A 3 -4.313 -5.356 0.492 1.00 2.08 C ATOM 55 CD ARG A 3 -5.485 -5.565 1.449 1.00 2.30 C ATOM 56 NE ARG A 3 -6.062 -4.291 1.909 1.00 3.05 N ATOM 57 CZ ARG A 3 -7.086 -4.176 2.765 1.00 3.69 C ATOM 58 NH1 ARG A 3 -7.581 -5.261 3.363 1.00 3.58 N ATOM 59 NH2 ARG A 3 -7.604 -2.976 3.034 1.00 5.00 N ATOM 60 H ARG A 3 -3.934 -4.559 3.533 1.00 1.69 H ATOM 61 HA ARG A 3 -2.208 -6.325 1.954 1.00 0.48 H ATOM 62 HB2 ARG A 3 -3.479 -3.587 1.436 1.00 1.01 H ATOM 63 HB3 ARG A 3 -2.443 -4.414 0.283 1.00 1.83 H ATOM 64 HG2 ARG A 3 -4.678 -4.827 -0.388 1.00 2.98 H ATOM 65 HG3 ARG A 3 -3.951 -6.331 0.166 1.00 2.94 H ATOM 66 HD2 ARG A 3 -6.243 -6.138 0.920 1.00 2.89 H ATOM 67 HD3 ARG A 3 -5.151 -6.163 2.290 1.00 2.85 H ATOM 68 HE ARG A 3 -5.728 -3.465 1.432 1.00 3.64 H ATOM 69 HH11 ARG A 3 -7.241 -6.170 3.094 1.00 3.37 H ATOM 70 HH12 ARG A 3 -8.368 -5.215 3.992 1.00 4.23 H ATOM 71 HH21 ARG A 3 -7.250 -2.141 2.589 1.00 5.66 H ATOM 72 HH22 ARG A 3 -8.401 -2.869 3.644 1.00 5.59 H ATOM 73 N ILE A 4 -0.192 -4.537 1.622 1.00 0.44 N ATOM 74 CA ILE A 4 1.060 -3.815 1.743 1.00 0.37 C ATOM 75 C ILE A 4 1.105 -2.878 0.553 1.00 0.31 C ATOM 76 O ILE A 4 0.454 -3.138 -0.463 1.00 0.31 O ATOM 77 CB ILE A 4 2.284 -4.749 1.799 1.00 0.47 C ATOM 78 CG1 ILE A 4 2.108 -5.891 2.810 1.00 0.72 C ATOM 79 CG2 ILE A 4 3.535 -3.978 2.236 1.00 0.57 C ATOM 80 CD1 ILE A 4 1.315 -7.056 2.227 1.00 0.88 C ATOM 81 H ILE A 4 -0.409 -4.864 0.692 1.00 0.54 H ATOM 82 HA ILE A 4 1.029 -3.220 2.647 1.00 0.35 H ATOM 83 HB ILE A 4 2.472 -5.160 0.807 1.00 0.45 H ATOM 84 HG12 ILE A 4 3.088 -6.279 3.087 1.00 0.86 H ATOM 85 HG13 ILE A 4 1.614 -5.514 3.707 1.00 0.76 H ATOM 86 HG21 ILE A 4 3.779 -3.194 1.522 1.00 1.52 H ATOM 87 HG22 ILE A 4 3.378 -3.547 3.225 1.00 1.26 H ATOM 88 HG23 ILE A 4 4.383 -4.662 2.277 1.00 1.34 H ATOM 89 HD11 ILE A 4 0.253 -6.860 2.319 1.00 1.22 H ATOM 90 HD12 ILE A 4 1.581 -7.186 1.179 1.00 1.51 H ATOM 91 HD13 ILE A 4 1.553 -7.964 2.777 1.00 1.85 H ATOM 92 N HIS A 5 1.773 -1.741 0.700 1.00 0.27 N ATOM 93 CA HIS A 5 1.811 -0.760 -0.351 1.00 0.20 C ATOM 94 C HIS A 5 3.035 0.130 -0.176 1.00 0.20 C ATOM 95 O HIS A 5 3.794 -0.003 0.781 1.00 0.28 O ATOM 96 CB HIS A 5 0.511 0.048 -0.422 1.00 0.17 C ATOM 97 CG HIS A 5 -0.250 0.200 0.868 1.00 0.25 C ATOM 98 ND1 HIS A 5 -0.401 1.349 1.610 1.00 0.35 N ATOM 99 CD2 HIS A 5 -1.026 -0.769 1.438 1.00 0.31 C ATOM 100 CE1 HIS A 5 -1.274 1.074 2.595 1.00 0.45 C ATOM 101 NE2 HIS A 5 -1.667 -0.210 2.544 1.00 0.42 N ATOM 102 H HIS A 5 2.323 -1.521 1.518 1.00 0.30 H ATOM 103 HA HIS A 5 1.885 -1.304 -1.286 1.00 0.21 H ATOM 104 HB2 HIS A 5 0.722 1.029 -0.823 1.00 0.17 H ATOM 105 HB3 HIS A 5 -0.130 -0.448 -1.148 1.00 0.17 H ATOM 106 HD1 HIS A 5 0.005 2.263 1.426 1.00 0.37 H ATOM 107 HD2 HIS A 5 -1.138 -1.768 1.044 1.00 0.33 H ATOM 108 HE1 HIS A 5 -1.646 1.806 3.299 1.00 0.58 H ATOM 109 N ILE A 6 3.212 1.015 -1.149 1.00 0.17 N ATOM 110 CA ILE A 6 4.270 1.994 -1.244 1.00 0.23 C ATOM 111 C ILE A 6 3.897 3.164 -0.333 1.00 0.20 C ATOM 112 O ILE A 6 2.748 3.268 0.091 1.00 0.18 O ATOM 113 CB ILE A 6 4.421 2.405 -2.720 1.00 0.28 C ATOM 114 CG1 ILE A 6 4.587 1.139 -3.578 1.00 0.32 C ATOM 115 CG2 ILE A 6 5.669 3.272 -2.960 1.00 0.37 C ATOM 116 CD1 ILE A 6 3.273 0.440 -3.978 1.00 0.28 C ATOM 117 H ILE A 6 2.489 1.068 -1.843 1.00 0.15 H ATOM 118 HA ILE A 6 5.205 1.539 -0.920 1.00 0.29 H ATOM 119 HB ILE A 6 3.541 2.959 -3.048 1.00 0.26 H ATOM 120 HG12 ILE A 6 5.096 1.427 -4.489 1.00 0.41 H ATOM 121 HG13 ILE A 6 5.242 0.444 -3.052 1.00 0.35 H ATOM 122 HG21 ILE A 6 5.564 4.245 -2.491 1.00 1.38 H ATOM 123 HG22 ILE A 6 6.559 2.768 -2.581 1.00 1.29 H ATOM 124 HG23 ILE A 6 5.796 3.455 -4.028 1.00 1.60 H ATOM 125 HD11 ILE A 6 3.426 -0.102 -4.912 1.00 1.40 H ATOM 126 HD12 ILE A 6 2.957 -0.284 -3.226 1.00 1.43 H ATOM 127 HD13 ILE A 6 2.478 1.173 -4.118 1.00 1.46 H ATOM 128 N GLY A 7 4.867 4.040 -0.062 1.00 0.24 N ATOM 129 CA GLY A 7 4.734 5.219 0.793 1.00 0.24 C ATOM 130 C GLY A 7 3.424 5.979 0.565 1.00 0.24 C ATOM 131 O GLY A 7 2.507 5.872 1.374 1.00 0.25 O ATOM 132 H GLY A 7 5.763 3.838 -0.482 1.00 0.28 H ATOM 133 HA2 GLY A 7 4.764 4.897 1.834 1.00 0.27 H ATOM 134 HA3 GLY A 7 5.574 5.891 0.619 1.00 0.26 H ATOM 135 N PRO A 8 3.296 6.741 -0.530 1.00 0.25 N ATOM 136 CA PRO A 8 2.049 7.390 -0.911 1.00 0.28 C ATOM 137 C PRO A 8 1.155 6.390 -1.658 1.00 0.33 C ATOM 138 O PRO A 8 0.608 6.699 -2.714 1.00 0.82 O ATOM 139 CB PRO A 8 2.501 8.539 -1.817 1.00 0.32 C ATOM 140 CG PRO A 8 3.675 7.908 -2.564 1.00 0.31 C ATOM 141 CD PRO A 8 4.347 7.067 -1.477 1.00 0.28 C ATOM 142 HA PRO A 8 1.521 7.778 -0.039 1.00 0.29 H ATOM 143 HB2 PRO A 8 1.718 8.889 -2.491 1.00 0.37 H ATOM 144 HB3 PRO A 8 2.862 9.364 -1.202 1.00 0.32 H ATOM 145 HG2 PRO A 8 3.301 7.257 -3.356 1.00 0.31 H ATOM 146 HG3 PRO A 8 4.350 8.661 -2.972 1.00 0.36 H ATOM 147 HD2 PRO A 8 4.780 6.169 -1.910 1.00 0.29 H ATOM 148 HD3 PRO A 8 5.115 7.657 -0.976 1.00 0.29 H ATOM 149 N GLY A 9 1.022 5.171 -1.138 1.00 0.39 N ATOM 150 CA GLY A 9 0.279 4.096 -1.761 1.00 0.34 C ATOM 151 C GLY A 9 -0.741 3.579 -0.762 1.00 0.34 C ATOM 152 O GLY A 9 -0.665 3.884 0.427 1.00 0.44 O ATOM 153 H GLY A 9 1.409 4.955 -0.224 1.00 0.72 H ATOM 154 HA2 GLY A 9 -0.230 4.450 -2.658 1.00 0.38 H ATOM 155 HA3 GLY A 9 0.967 3.294 -2.025 1.00 0.36 H ATOM 156 N ARG A 10 -1.707 2.793 -1.240 1.00 0.37 N ATOM 157 CA ARG A 10 -2.875 2.441 -0.430 1.00 0.39 C ATOM 158 C ARG A 10 -3.240 0.964 -0.414 1.00 0.31 C ATOM 159 O ARG A 10 -3.966 0.541 0.477 1.00 0.38 O ATOM 160 CB ARG A 10 -4.067 3.335 -0.774 1.00 0.59 C ATOM 161 CG ARG A 10 -5.002 2.857 -1.893 1.00 1.35 C ATOM 162 CD ARG A 10 -4.337 2.707 -3.264 1.00 1.38 C ATOM 163 NE ARG A 10 -4.581 1.382 -3.845 1.00 0.97 N ATOM 164 CZ ARG A 10 -5.303 1.095 -4.932 1.00 1.65 C ATOM 165 NH1 ARG A 10 -6.138 1.987 -5.465 1.00 2.28 N ATOM 166 NH2 ARG A 10 -5.165 -0.106 -5.472 1.00 2.01 N ATOM 167 H ARG A 10 -1.681 2.595 -2.226 1.00 0.50 H ATOM 168 HA ARG A 10 -2.640 2.674 0.607 1.00 0.47 H ATOM 169 HB2 ARG A 10 -4.661 3.352 0.132 1.00 1.14 H ATOM 170 HB3 ARG A 10 -3.723 4.350 -0.977 1.00 0.47 H ATOM 171 HG2 ARG A 10 -5.442 1.909 -1.587 1.00 2.31 H ATOM 172 HG3 ARG A 10 -5.812 3.580 -1.986 1.00 2.38 H ATOM 173 HD2 ARG A 10 -4.686 3.495 -3.930 1.00 2.21 H ATOM 174 HD3 ARG A 10 -3.265 2.830 -3.169 1.00 2.24 H ATOM 175 HE ARG A 10 -4.075 0.606 -3.435 1.00 0.67 H ATOM 176 HH11 ARG A 10 -6.263 2.889 -5.037 1.00 2.31 H ATOM 177 HH12 ARG A 10 -6.675 1.759 -6.287 1.00 2.89 H ATOM 178 HH21 ARG A 10 -4.444 -0.757 -5.171 1.00 1.73 H ATOM 179 HH22 ARG A 10 -5.599 -0.458 -6.326 1.00 2.65 H ATOM 180 N ALA A 11 -2.767 0.210 -1.408 1.00 0.26 N ATOM 181 CA ALA A 11 -2.832 -1.245 -1.527 1.00 0.30 C ATOM 182 C ALA A 11 -2.548 -1.662 -2.963 1.00 0.42 C ATOM 183 O ALA A 11 -2.850 -0.910 -3.886 1.00 0.64 O ATOM 184 CB ALA A 11 -4.203 -1.766 -1.119 1.00 0.46 C ATOM 185 H ALA A 11 -2.273 0.699 -2.128 1.00 0.28 H ATOM 186 HA ALA A 11 -2.078 -1.696 -0.886 1.00 0.29 H ATOM 187 HB1 ALA A 11 -4.960 -1.109 -1.553 1.00 1.35 H ATOM 188 HB2 ALA A 11 -4.337 -2.783 -1.484 1.00 1.44 H ATOM 189 HB3 ALA A 11 -4.266 -1.778 -0.031 1.00 1.44 H ATOM 190 N PHE A 12 -2.030 -2.876 -3.144 1.00 0.46 N ATOM 191 CA PHE A 12 -1.681 -3.429 -4.450 1.00 0.59 C ATOM 192 C PHE A 12 -2.860 -3.892 -5.305 1.00 0.70 C ATOM 193 O PHE A 12 -2.650 -4.417 -6.392 1.00 1.05 O ATOM 194 CB PHE A 12 -0.716 -4.593 -4.238 1.00 0.72 C ATOM 195 CG PHE A 12 -1.202 -5.699 -3.316 1.00 0.81 C ATOM 196 CD1 PHE A 12 -2.175 -6.616 -3.755 1.00 1.91 C ATOM 197 CD2 PHE A 12 -0.651 -5.836 -2.028 1.00 1.82 C ATOM 198 CE1 PHE A 12 -2.612 -7.644 -2.902 1.00 2.08 C ATOM 199 CE2 PHE A 12 -1.085 -6.865 -1.174 1.00 1.93 C ATOM 200 CZ PHE A 12 -2.070 -7.768 -1.611 1.00 1.32 C ATOM 201 H PHE A 12 -1.783 -3.434 -2.339 1.00 0.49 H ATOM 202 HA PHE A 12 -1.185 -2.650 -5.022 1.00 0.70 H ATOM 203 HB2 PHE A 12 -0.507 -5.025 -5.211 1.00 0.77 H ATOM 204 HB3 PHE A 12 0.204 -4.177 -3.840 1.00 0.86 H ATOM 205 HD1 PHE A 12 -2.579 -6.549 -4.756 1.00 3.05 H ATOM 206 HD2 PHE A 12 0.132 -5.167 -1.706 1.00 2.97 H ATOM 207 HE1 PHE A 12 -3.351 -8.352 -3.250 1.00 3.25 H ATOM 208 HE2 PHE A 12 -0.643 -6.987 -0.197 1.00 3.06 H ATOM 209 HZ PHE A 12 -2.393 -8.573 -0.966 1.00 1.56 H ATOM 210 N TYR A 13 -4.075 -3.733 -4.791 1.00 0.74 N ATOM 211 CA TYR A 13 -5.315 -4.006 -5.512 1.00 1.07 C ATOM 212 C TYR A 13 -5.292 -3.388 -6.909 1.00 1.93 C ATOM 213 O TYR A 13 -5.726 -4.085 -7.846 1.00 2.45 O ATOM 214 CB TYR A 13 -6.517 -3.419 -4.768 1.00 1.04 C ATOM 215 CG TYR A 13 -6.832 -3.960 -3.391 1.00 1.21 C ATOM 216 CD1 TYR A 13 -7.043 -5.336 -3.205 1.00 2.15 C ATOM 217 CD2 TYR A 13 -7.067 -3.062 -2.333 1.00 2.12 C ATOM 218 CE1 TYR A 13 -7.555 -5.813 -1.984 1.00 2.65 C ATOM 219 CE2 TYR A 13 -7.571 -3.529 -1.107 1.00 2.56 C ATOM 220 CZ TYR A 13 -7.853 -4.903 -0.943 1.00 2.41 C ATOM 221 OH TYR A 13 -8.432 -5.339 0.211 1.00 3.09 O ATOM 222 OXT TYR A 13 -4.939 -2.188 -6.984 1.00 2.58 O ATOM 223 H TYR A 13 -4.076 -3.410 -3.846 1.00 0.81 H ATOM 224 HA TYR A 13 -5.434 -5.082 -5.629 1.00 1.38 H ATOM 225 HB2 TYR A 13 -6.385 -2.340 -4.703 1.00 1.29 H ATOM 226 HB3 TYR A 13 -7.400 -3.587 -5.387 1.00 1.30 H ATOM 227 HD1 TYR A 13 -6.859 -6.015 -4.025 1.00 3.03 H ATOM 228 HD2 TYR A 13 -6.911 -2.006 -2.492 1.00 3.02 H ATOM 229 HE1 TYR A 13 -7.752 -6.869 -1.873 1.00 3.70 H ATOM 230 HE2 TYR A 13 -7.807 -2.831 -0.318 1.00 3.55 H ATOM 231 HH TYR A 13 -8.909 -6.163 0.087 1.00 3.60 H TER 232 TYR A 13 ENDMDL MODEL 2 ATOM 1 N ARG A 1 -7.483 -9.037 8.025 1.00 5.58 N ATOM 2 CA ARG A 1 -6.677 -9.061 6.786 1.00 5.13 C ATOM 3 C ARG A 1 -5.738 -7.864 6.846 1.00 3.17 C ATOM 4 O ARG A 1 -6.054 -6.914 7.557 1.00 3.14 O ATOM 5 CB ARG A 1 -7.563 -9.019 5.525 1.00 6.62 C ATOM 6 CG ARG A 1 -8.505 -10.231 5.438 1.00 8.59 C ATOM 7 CD ARG A 1 -9.419 -10.166 4.203 1.00 10.18 C ATOM 8 NE ARG A 1 -10.792 -10.586 4.534 1.00 12.17 N ATOM 9 CZ ARG A 1 -11.751 -9.803 5.050 1.00 13.49 C ATOM 10 NH1 ARG A 1 -11.536 -8.497 5.220 1.00 13.35 N ATOM 11 NH2 ARG A 1 -12.923 -10.326 5.412 1.00 15.29 N ATOM 12 H1 ARG A 1 -7.998 -8.168 8.057 1.00 5.62 H ATOM 13 H2 ARG A 1 -8.112 -9.825 8.067 1.00 6.86 H ATOM 14 H3 ARG A 1 -6.864 -9.052 8.823 1.00 4.90 H ATOM 15 HA ARG A 1 -6.079 -9.973 6.766 1.00 5.59 H ATOM 16 HB2 ARG A 1 -8.158 -8.104 5.537 1.00 7.01 H ATOM 17 HB3 ARG A 1 -6.925 -9.004 4.639 1.00 6.34 H ATOM 18 HG2 ARG A 1 -7.916 -11.148 5.395 1.00 8.77 H ATOM 19 HG3 ARG A 1 -9.126 -10.264 6.332 1.00 9.06 H ATOM 20 HD2 ARG A 1 -9.430 -9.156 3.794 1.00 10.27 H ATOM 21 HD3 ARG A 1 -9.021 -10.827 3.432 1.00 10.10 H ATOM 22 HE ARG A 1 -10.994 -11.562 4.360 1.00 12.77 H ATOM 23 HH11 ARG A 1 -10.690 -8.076 4.874 1.00 12.25 H ATOM 24 HH12 ARG A 1 -12.244 -7.885 5.598 1.00 14.62 H ATOM 25 HH21 ARG A 1 -13.118 -11.311 5.294 1.00 15.76 H ATOM 26 HH22 ARG A 1 -13.662 -9.759 5.802 1.00 16.43 H ATOM 27 N LYS A 2 -4.599 -7.895 6.150 1.00 2.24 N ATOM 28 CA LYS A 2 -3.658 -6.782 6.093 1.00 0.67 C ATOM 29 C LYS A 2 -3.355 -6.535 4.617 1.00 0.77 C ATOM 30 O LYS A 2 -3.683 -7.375 3.779 1.00 2.11 O ATOM 31 CB LYS A 2 -2.365 -7.111 6.866 1.00 2.44 C ATOM 32 CG LYS A 2 -2.527 -7.275 8.389 1.00 3.21 C ATOM 33 CD LYS A 2 -2.039 -6.064 9.200 1.00 4.31 C ATOM 34 CE LYS A 2 -1.795 -6.506 10.652 1.00 5.90 C ATOM 35 NZ LYS A 2 -1.616 -5.367 11.580 1.00 6.94 N ATOM 36 H LYS A 2 -4.404 -8.649 5.503 1.00 3.24 H ATOM 37 HA LYS A 2 -4.116 -5.885 6.515 1.00 1.34 H ATOM 38 HB2 LYS A 2 -1.965 -8.043 6.465 1.00 3.79 H ATOM 39 HB3 LYS A 2 -1.624 -6.336 6.670 1.00 3.20 H ATOM 40 HG2 LYS A 2 -3.566 -7.478 8.643 1.00 2.83 H ATOM 41 HG3 LYS A 2 -1.936 -8.140 8.694 1.00 4.32 H ATOM 42 HD2 LYS A 2 -1.100 -5.690 8.789 1.00 4.82 H ATOM 43 HD3 LYS A 2 -2.792 -5.274 9.160 1.00 4.21 H ATOM 44 HE2 LYS A 2 -2.639 -7.113 10.986 1.00 6.06 H ATOM 45 HE3 LYS A 2 -0.899 -7.132 10.673 1.00 6.65 H ATOM 46 HZ1 LYS A 2 -1.389 -5.711 12.504 1.00 7.81 H ATOM 47 HZ2 LYS A 2 -0.862 -4.769 11.269 1.00 7.27 H ATOM 48 HZ3 LYS A 2 -2.468 -4.827 11.641 1.00 6.97 H ATOM 49 N ARG A 3 -2.729 -5.402 4.305 1.00 0.83 N ATOM 50 CA ARG A 3 -2.338 -5.035 2.953 1.00 0.71 C ATOM 51 C ARG A 3 -0.949 -4.423 3.016 1.00 0.60 C ATOM 52 O ARG A 3 -0.482 -4.108 4.110 1.00 0.76 O ATOM 53 CB ARG A 3 -3.357 -4.062 2.338 1.00 1.02 C ATOM 54 CG ARG A 3 -3.485 -2.728 3.089 1.00 3.10 C ATOM 55 CD ARG A 3 -4.694 -2.733 4.033 1.00 3.64 C ATOM 56 NE ARG A 3 -4.641 -1.641 5.019 1.00 5.32 N ATOM 57 CZ ARG A 3 -4.760 -0.327 4.779 1.00 6.34 C ATOM 58 NH1 ARG A 3 -4.882 0.145 3.536 1.00 6.46 N ATOM 59 NH2 ARG A 3 -4.764 0.525 5.806 1.00 7.92 N ATOM 60 H ARG A 3 -2.361 -4.805 5.034 1.00 1.94 H ATOM 61 HA ARG A 3 -2.290 -5.937 2.338 1.00 0.62 H ATOM 62 HB2 ARG A 3 -3.056 -3.855 1.310 1.00 1.17 H ATOM 63 HB3 ARG A 3 -4.332 -4.541 2.309 1.00 1.91 H ATOM 64 HG2 ARG A 3 -2.581 -2.512 3.656 1.00 4.27 H ATOM 65 HG3 ARG A 3 -3.619 -1.942 2.350 1.00 3.86 H ATOM 66 HD2 ARG A 3 -5.614 -2.661 3.451 1.00 3.34 H ATOM 67 HD3 ARG A 3 -4.713 -3.677 4.577 1.00 3.83 H ATOM 68 HE ARG A 3 -4.533 -1.946 5.974 1.00 6.22 H ATOM 69 HH11 ARG A 3 -4.778 -0.458 2.734 1.00 5.75 H ATOM 70 HH12 ARG A 3 -4.944 1.129 3.333 1.00 7.76 H ATOM 71 HH21 ARG A 3 -4.666 0.202 6.756 1.00 8.48 H ATOM 72 HH22 ARG A 3 -4.858 1.520 5.664 1.00 8.89 H ATOM 73 N ILE A 4 -0.301 -4.250 1.866 1.00 0.45 N ATOM 74 CA ILE A 4 1.051 -3.728 1.776 1.00 0.37 C ATOM 75 C ILE A 4 1.107 -2.844 0.551 1.00 0.32 C ATOM 76 O ILE A 4 0.430 -3.116 -0.442 1.00 0.30 O ATOM 77 CB ILE A 4 2.145 -4.817 1.733 1.00 0.39 C ATOM 78 CG1 ILE A 4 1.739 -6.121 2.428 1.00 0.52 C ATOM 79 CG2 ILE A 4 3.407 -4.297 2.417 1.00 0.51 C ATOM 80 CD1 ILE A 4 0.802 -6.896 1.509 1.00 0.63 C ATOM 81 H ILE A 4 -0.739 -4.474 0.982 1.00 0.49 H ATOM 82 HA ILE A 4 1.211 -3.110 2.645 1.00 0.48 H ATOM 83 HB ILE A 4 2.399 -5.043 0.695 1.00 0.40 H ATOM 84 HG12 ILE A 4 2.617 -6.738 2.622 1.00 0.67 H ATOM 85 HG13 ILE A 4 1.257 -5.902 3.378 1.00 0.55 H ATOM 86 HG21 ILE A 4 3.185 -4.039 3.453 1.00 1.83 H ATOM 87 HG22 ILE A 4 4.172 -5.074 2.397 1.00 1.98 H ATOM 88 HG23 ILE A 4 3.786 -3.421 1.891 1.00 1.51 H ATOM 89 HD11 ILE A 4 -0.023 -7.303 2.089 1.00 1.15 H ATOM 90 HD12 ILE A 4 0.419 -6.227 0.743 1.00 1.65 H ATOM 91 HD13 ILE A 4 1.361 -7.691 1.019 1.00 1.48 H ATOM 92 N HIS A 5 1.814 -1.726 0.659 1.00 0.30 N ATOM 93 CA HIS A 5 1.877 -0.759 -0.405 1.00 0.23 C ATOM 94 C HIS A 5 3.115 0.108 -0.213 1.00 0.23 C ATOM 95 O HIS A 5 3.869 -0.052 0.745 1.00 0.29 O ATOM 96 CB HIS A 5 0.596 0.078 -0.501 1.00 0.20 C ATOM 97 CG HIS A 5 -0.187 0.265 0.774 1.00 0.26 C ATOM 98 ND1 HIS A 5 -0.367 1.438 1.468 1.00 0.32 N ATOM 99 CD2 HIS A 5 -0.967 -0.686 1.365 1.00 0.31 C ATOM 100 CE1 HIS A 5 -1.258 1.194 2.444 1.00 0.39 C ATOM 101 NE2 HIS A 5 -1.640 -0.095 2.437 1.00 0.38 N ATOM 102 H HIS A 5 2.378 -1.506 1.470 1.00 0.33 H ATOM 103 HA HIS A 5 1.958 -1.314 -1.333 1.00 0.25 H ATOM 104 HB2 HIS A 5 0.832 1.052 -0.909 1.00 0.20 H ATOM 105 HB3 HIS A 5 -0.043 -0.406 -1.237 1.00 0.20 H ATOM 106 HD1 HIS A 5 0.044 2.344 1.256 1.00 0.33 H ATOM 107 HD2 HIS A 5 -1.056 -1.699 1.005 1.00 0.35 H ATOM 108 HE1 HIS A 5 -1.654 1.951 3.106 1.00 0.49 H ATOM 109 N ILE A 6 3.310 1.012 -1.163 1.00 0.21 N ATOM 110 CA ILE A 6 4.374 1.985 -1.219 1.00 0.23 C ATOM 111 C ILE A 6 3.970 3.150 -0.317 1.00 0.21 C ATOM 112 O ILE A 6 2.811 3.236 0.083 1.00 0.19 O ATOM 113 CB ILE A 6 4.561 2.395 -2.690 1.00 0.26 C ATOM 114 CG1 ILE A 6 4.770 1.129 -3.537 1.00 0.30 C ATOM 115 CG2 ILE A 6 5.790 3.291 -2.893 1.00 0.32 C ATOM 116 CD1 ILE A 6 3.474 0.423 -3.985 1.00 0.27 C ATOM 117 H ILE A 6 2.595 1.097 -1.864 1.00 0.19 H ATOM 118 HA ILE A 6 5.298 1.528 -0.865 1.00 0.28 H ATOM 119 HB ILE A 6 3.679 2.933 -3.045 1.00 0.23 H ATOM 120 HG12 ILE A 6 5.312 1.415 -4.430 1.00 0.35 H ATOM 121 HG13 ILE A 6 5.407 0.439 -2.983 1.00 0.34 H ATOM 122 HG21 ILE A 6 6.675 2.824 -2.460 1.00 1.45 H ATOM 123 HG22 ILE A 6 5.960 3.455 -3.958 1.00 1.66 H ATOM 124 HG23 ILE A 6 5.626 4.269 -2.454 1.00 1.58 H ATOM 125 HD11 ILE A 6 3.672 -0.148 -4.891 1.00 1.48 H ATOM 126 HD12 ILE A 6 3.109 -0.274 -3.229 1.00 1.42 H ATOM 127 HD13 ILE A 6 2.693 1.157 -4.190 1.00 1.39 H ATOM 128 N GLY A 7 4.909 4.054 -0.038 1.00 0.24 N ATOM 129 CA GLY A 7 4.727 5.244 0.797 1.00 0.25 C ATOM 130 C GLY A 7 3.381 5.949 0.583 1.00 0.21 C ATOM 131 O GLY A 7 2.502 5.853 1.433 1.00 0.23 O ATOM 132 H GLY A 7 5.820 3.868 -0.434 1.00 0.27 H ATOM 133 HA2 GLY A 7 4.789 4.942 1.843 1.00 0.28 H ATOM 134 HA3 GLY A 7 5.535 5.949 0.602 1.00 0.29 H ATOM 135 N PRO A 8 3.194 6.665 -0.535 1.00 0.24 N ATOM 136 CA PRO A 8 1.932 7.315 -0.872 1.00 0.28 C ATOM 137 C PRO A 8 0.933 6.349 -1.530 1.00 0.32 C ATOM 138 O PRO A 8 -0.092 6.780 -2.053 1.00 0.65 O ATOM 139 CB PRO A 8 2.333 8.429 -1.841 1.00 0.36 C ATOM 140 CG PRO A 8 3.512 7.813 -2.594 1.00 0.36 C ATOM 141 CD PRO A 8 4.215 6.990 -1.515 1.00 0.30 C ATOM 142 HA PRO A 8 1.472 7.747 0.019 1.00 0.28 H ATOM 143 HB2 PRO A 8 1.525 8.716 -2.516 1.00 0.41 H ATOM 144 HB3 PRO A 8 2.678 9.296 -1.275 1.00 0.37 H ATOM 145 HG2 PRO A 8 3.141 7.152 -3.379 1.00 0.37 H ATOM 146 HG3 PRO A 8 4.169 8.577 -3.012 1.00 0.42 H ATOM 147 HD2 PRO A 8 4.640 6.091 -1.952 1.00 0.30 H ATOM 148 HD3 PRO A 8 4.995 7.589 -1.043 1.00 0.33 H ATOM 149 N GLY A 9 1.222 5.047 -1.544 1.00 0.24 N ATOM 150 CA GLY A 9 0.341 4.039 -2.106 1.00 0.22 C ATOM 151 C GLY A 9 -0.690 3.619 -1.059 1.00 0.20 C ATOM 152 O GLY A 9 -0.514 3.883 0.128 1.00 0.34 O ATOM 153 H GLY A 9 1.989 4.713 -0.986 1.00 0.47 H ATOM 154 HA2 GLY A 9 -0.161 4.438 -2.988 1.00 0.28 H ATOM 155 HA3 GLY A 9 0.947 3.179 -2.392 1.00 0.24 H ATOM 156 N ARG A 10 -1.760 2.930 -1.477 1.00 0.27 N ATOM 157 CA ARG A 10 -2.866 2.575 -0.575 1.00 0.30 C ATOM 158 C ARG A 10 -3.170 1.082 -0.486 1.00 0.24 C ATOM 159 O ARG A 10 -3.835 0.657 0.457 1.00 0.33 O ATOM 160 CB ARG A 10 -4.111 3.392 -0.918 1.00 0.52 C ATOM 161 CG ARG A 10 -4.745 3.011 -2.261 1.00 1.14 C ATOM 162 CD ARG A 10 -5.747 1.849 -2.158 1.00 2.38 C ATOM 163 NE ARG A 10 -5.444 0.793 -3.134 1.00 1.70 N ATOM 164 CZ ARG A 10 -6.294 -0.085 -3.673 1.00 2.83 C ATOM 165 NH1 ARG A 10 -7.575 -0.122 -3.307 1.00 4.43 N ATOM 166 NH2 ARG A 10 -5.828 -0.940 -4.573 1.00 2.65 N ATOM 167 H ARG A 10 -1.869 2.806 -2.472 1.00 0.47 H ATOM 168 HA ARG A 10 -2.589 2.880 0.429 1.00 0.35 H ATOM 169 HB2 ARG A 10 -4.838 3.272 -0.115 1.00 0.97 H ATOM 170 HB3 ARG A 10 -3.813 4.437 -0.957 1.00 0.45 H ATOM 171 HG2 ARG A 10 -5.275 3.881 -2.647 1.00 1.86 H ATOM 172 HG3 ARG A 10 -3.949 2.768 -2.962 1.00 2.13 H ATOM 173 HD2 ARG A 10 -5.727 1.420 -1.157 1.00 3.76 H ATOM 174 HD3 ARG A 10 -6.747 2.244 -2.340 1.00 3.67 H ATOM 175 HE ARG A 10 -4.474 0.685 -3.400 1.00 0.71 H ATOM 176 HH11 ARG A 10 -7.927 0.514 -2.610 1.00 4.84 H ATOM 177 HH12 ARG A 10 -8.208 -0.790 -3.722 1.00 5.34 H ATOM 178 HH21 ARG A 10 -4.853 -0.952 -4.843 1.00 1.82 H ATOM 179 HH22 ARG A 10 -6.384 -1.639 -5.065 1.00 3.53 H ATOM 180 N ALA A 11 -2.719 0.324 -1.487 1.00 0.18 N ATOM 181 CA ALA A 11 -2.745 -1.128 -1.637 1.00 0.23 C ATOM 182 C ALA A 11 -2.585 -1.448 -3.118 1.00 0.39 C ATOM 183 O ALA A 11 -3.040 -0.671 -3.959 1.00 0.72 O ATOM 184 CB ALA A 11 -4.044 -1.743 -1.126 1.00 0.46 C ATOM 185 H ALA A 11 -2.300 0.812 -2.256 1.00 0.21 H ATOM 186 HA ALA A 11 -1.911 -1.568 -1.092 1.00 0.31 H ATOM 187 HB1 ALA A 11 -4.073 -1.710 -0.040 1.00 1.79 H ATOM 188 HB2 ALA A 11 -4.886 -1.192 -1.539 1.00 1.37 H ATOM 189 HB3 ALA A 11 -4.095 -2.783 -1.440 1.00 1.43 H ATOM 190 N PHE A 12 -1.976 -2.592 -3.432 1.00 0.46 N ATOM 191 CA PHE A 12 -1.810 -3.061 -4.804 1.00 0.65 C ATOM 192 C PHE A 12 -3.004 -3.840 -5.353 1.00 0.71 C ATOM 193 O PHE A 12 -2.983 -4.251 -6.508 1.00 1.00 O ATOM 194 CB PHE A 12 -0.547 -3.916 -4.887 1.00 0.96 C ATOM 195 CG PHE A 12 -0.424 -5.033 -3.862 1.00 1.18 C ATOM 196 CD1 PHE A 12 -1.303 -6.133 -3.891 1.00 1.76 C ATOM 197 CD2 PHE A 12 0.594 -4.988 -2.892 1.00 2.79 C ATOM 198 CE1 PHE A 12 -1.175 -7.166 -2.947 1.00 1.90 C ATOM 199 CE2 PHE A 12 0.745 -6.039 -1.975 1.00 3.29 C ATOM 200 CZ PHE A 12 -0.146 -7.124 -1.993 1.00 2.22 C ATOM 201 H PHE A 12 -1.586 -3.170 -2.699 1.00 0.56 H ATOM 202 HA PHE A 12 -1.695 -2.198 -5.452 1.00 0.97 H ATOM 203 HB2 PHE A 12 -0.508 -4.358 -5.878 1.00 1.00 H ATOM 204 HB3 PHE A 12 0.303 -3.246 -4.781 1.00 1.32 H ATOM 205 HD1 PHE A 12 -2.073 -6.205 -4.645 1.00 3.04 H ATOM 206 HD2 PHE A 12 1.282 -4.159 -2.838 1.00 3.99 H ATOM 207 HE1 PHE A 12 -1.856 -8.004 -2.972 1.00 2.90 H ATOM 208 HE2 PHE A 12 1.552 -6.005 -1.261 1.00 4.78 H ATOM 209 HZ PHE A 12 -0.030 -7.931 -1.283 1.00 2.69 H ATOM 210 N TYR A 13 -3.998 -4.078 -4.504 1.00 0.87 N ATOM 211 CA TYR A 13 -5.213 -4.820 -4.824 1.00 1.50 C ATOM 212 C TYR A 13 -5.868 -4.308 -6.103 1.00 2.20 C ATOM 213 O TYR A 13 -6.031 -3.070 -6.191 1.00 2.76 O ATOM 214 CB TYR A 13 -6.231 -4.689 -3.689 1.00 2.05 C ATOM 215 CG TYR A 13 -5.836 -5.209 -2.322 1.00 2.46 C ATOM 216 CD1 TYR A 13 -5.212 -6.461 -2.173 1.00 3.58 C ATOM 217 CD2 TYR A 13 -6.205 -4.471 -1.182 1.00 2.84 C ATOM 218 CE1 TYR A 13 -4.988 -6.996 -0.888 1.00 4.38 C ATOM 219 CE2 TYR A 13 -5.993 -4.998 0.100 1.00 3.55 C ATOM 220 CZ TYR A 13 -5.398 -6.268 0.254 1.00 4.12 C ATOM 221 OH TYR A 13 -5.255 -6.769 1.515 1.00 5.03 O ATOM 222 OXT TYR A 13 -6.288 -5.164 -6.906 1.00 3.77 O ATOM 223 H TYR A 13 -3.827 -3.759 -3.573 1.00 0.87 H ATOM 224 HA TYR A 13 -4.962 -5.868 -4.985 1.00 1.83 H ATOM 225 HB2 TYR A 13 -6.497 -3.635 -3.600 1.00 2.17 H ATOM 226 HB3 TYR A 13 -7.136 -5.220 -3.991 1.00 2.55 H ATOM 227 HD1 TYR A 13 -4.937 -7.026 -3.053 1.00 4.23 H ATOM 228 HD2 TYR A 13 -6.684 -3.510 -1.297 1.00 3.27 H ATOM 229 HE1 TYR A 13 -4.543 -7.975 -0.790 1.00 5.51 H ATOM 230 HE2 TYR A 13 -6.310 -4.445 0.970 1.00 4.19 H ATOM 231 HH TYR A 13 -4.627 -7.489 1.628 1.00 6.04 H TER 232 TYR A 13 ENDMDL MODEL 3 ATOM 1 N ARG A 1 -2.231 -8.348 10.278 1.00 3.94 N ATOM 2 CA ARG A 1 -1.892 -8.496 8.848 1.00 3.47 C ATOM 3 C ARG A 1 -2.901 -7.682 8.055 1.00 2.25 C ATOM 4 O ARG A 1 -4.036 -7.571 8.504 1.00 2.56 O ATOM 5 CB ARG A 1 -1.923 -9.970 8.409 1.00 4.40 C ATOM 6 CG ARG A 1 -0.696 -10.744 8.911 1.00 5.60 C ATOM 7 CD ARG A 1 -0.805 -12.228 8.540 1.00 6.67 C ATOM 8 NE ARG A 1 0.424 -12.962 8.883 1.00 7.91 N ATOM 9 CZ ARG A 1 0.544 -14.295 8.945 1.00 9.12 C ATOM 10 NH1 ARG A 1 -0.509 -15.079 8.715 1.00 9.41 N ATOM 11 NH2 ARG A 1 1.724 -14.845 9.240 1.00 10.29 N ATOM 12 H1 ARG A 1 -3.193 -8.638 10.410 1.00 3.97 H ATOM 13 H2 ARG A 1 -1.617 -8.901 10.857 1.00 4.73 H ATOM 14 H3 ARG A 1 -2.168 -7.375 10.540 1.00 3.85 H ATOM 15 HA ARG A 1 -0.896 -8.091 8.665 1.00 3.89 H ATOM 16 HB2 ARG A 1 -2.835 -10.441 8.783 1.00 4.73 H ATOM 17 HB3 ARG A 1 -1.935 -10.017 7.319 1.00 4.38 H ATOM 18 HG2 ARG A 1 0.199 -10.321 8.453 1.00 5.77 H ATOM 19 HG3 ARG A 1 -0.616 -10.655 9.995 1.00 5.92 H ATOM 20 HD2 ARG A 1 -1.651 -12.659 9.076 1.00 6.97 H ATOM 21 HD3 ARG A 1 -0.982 -12.318 7.467 1.00 6.57 H ATOM 22 HE ARG A 1 1.241 -12.392 9.050 1.00 8.04 H ATOM 23 HH11 ARG A 1 -1.401 -14.673 8.480 1.00 8.76 H ATOM 24 HH12 ARG A 1 -0.450 -16.085 8.759 1.00 10.46 H ATOM 25 HH21 ARG A 1 2.542 -14.278 9.412 1.00 10.39 H ATOM 26 HH22 ARG A 1 1.842 -15.846 9.291 1.00 11.27 H ATOM 27 N LYS A 2 -2.502 -7.086 6.929 1.00 1.60 N ATOM 28 CA LYS A 2 -3.396 -6.314 6.071 1.00 0.61 C ATOM 29 C LYS A 2 -2.770 -6.215 4.682 1.00 0.72 C ATOM 30 O LYS A 2 -1.670 -6.723 4.475 1.00 1.90 O ATOM 31 CB LYS A 2 -3.646 -4.921 6.670 1.00 1.63 C ATOM 32 CG LYS A 2 -2.355 -4.138 6.962 1.00 3.15 C ATOM 33 CD LYS A 2 -2.668 -2.643 7.097 1.00 4.34 C ATOM 34 CE LYS A 2 -2.916 -2.009 5.722 1.00 5.98 C ATOM 35 NZ LYS A 2 -1.679 -1.470 5.120 1.00 7.51 N ATOM 36 H LYS A 2 -1.573 -7.227 6.551 1.00 2.39 H ATOM 37 HA LYS A 2 -4.349 -6.838 5.991 1.00 0.95 H ATOM 38 HB2 LYS A 2 -4.274 -4.354 5.982 1.00 2.30 H ATOM 39 HB3 LYS A 2 -4.209 -5.025 7.598 1.00 2.31 H ATOM 40 HG2 LYS A 2 -1.928 -4.502 7.898 1.00 3.54 H ATOM 41 HG3 LYS A 2 -1.623 -4.282 6.168 1.00 3.90 H ATOM 42 HD2 LYS A 2 -3.565 -2.531 7.708 1.00 4.24 H ATOM 43 HD3 LYS A 2 -1.843 -2.137 7.602 1.00 5.06 H ATOM 44 HE2 LYS A 2 -3.321 -2.767 5.048 1.00 6.08 H ATOM 45 HE3 LYS A 2 -3.644 -1.203 5.823 1.00 6.58 H ATOM 46 HZ1 LYS A 2 -1.026 -2.225 4.944 1.00 7.83 H ATOM 47 HZ2 LYS A 2 -1.889 -1.068 4.217 1.00 8.31 H ATOM 48 HZ3 LYS A 2 -1.261 -0.760 5.702 1.00 7.94 H ATOM 49 N ARG A 3 -3.447 -5.546 3.745 1.00 0.60 N ATOM 50 CA ARG A 3 -2.878 -5.260 2.431 1.00 0.55 C ATOM 51 C ARG A 3 -1.603 -4.430 2.588 1.00 0.56 C ATOM 52 O ARG A 3 -1.453 -3.711 3.580 1.00 0.90 O ATOM 53 CB ARG A 3 -3.919 -4.568 1.543 1.00 0.71 C ATOM 54 CG ARG A 3 -4.154 -3.105 1.943 1.00 2.26 C ATOM 55 CD ARG A 3 -5.598 -2.698 1.667 1.00 2.75 C ATOM 56 NE ARG A 3 -5.778 -1.256 1.899 1.00 4.40 N ATOM 57 CZ ARG A 3 -6.829 -0.666 2.481 1.00 5.28 C ATOM 58 NH1 ARG A 3 -7.882 -1.382 2.881 1.00 4.80 N ATOM 59 NH2 ARG A 3 -6.820 0.654 2.667 1.00 6.92 N ATOM 60 H ARG A 3 -4.351 -5.166 3.974 1.00 1.57 H ATOM 61 HA ARG A 3 -2.618 -6.213 1.974 1.00 0.51 H ATOM 62 HB2 ARG A 3 -3.585 -4.597 0.504 1.00 1.66 H ATOM 63 HB3 ARG A 3 -4.854 -5.125 1.609 1.00 2.01 H ATOM 64 HG2 ARG A 3 -3.960 -2.963 3.004 1.00 3.26 H ATOM 65 HG3 ARG A 3 -3.483 -2.468 1.370 1.00 3.33 H ATOM 66 HD2 ARG A 3 -5.849 -2.931 0.631 1.00 2.84 H ATOM 67 HD3 ARG A 3 -6.237 -3.281 2.328 1.00 2.82 H ATOM 68 HE ARG A 3 -5.018 -0.669 1.561 1.00 5.10 H ATOM 69 HH11 ARG A 3 -7.921 -2.372 2.704 1.00 3.91 H ATOM 70 HH12 ARG A 3 -8.683 -0.960 3.327 1.00 5.58 H ATOM 71 HH21 ARG A 3 -6.030 1.200 2.351 1.00 7.57 H ATOM 72 HH22 ARG A 3 -7.587 1.141 3.106 1.00 7.66 H ATOM 73 N ILE A 4 -0.709 -4.490 1.605 1.00 0.39 N ATOM 74 CA ILE A 4 0.596 -3.855 1.669 1.00 0.36 C ATOM 75 C ILE A 4 0.671 -2.884 0.514 1.00 0.31 C ATOM 76 O ILE A 4 -0.022 -3.054 -0.492 1.00 0.34 O ATOM 77 CB ILE A 4 1.752 -4.872 1.666 1.00 0.45 C ATOM 78 CG1 ILE A 4 1.526 -5.988 2.698 1.00 0.56 C ATOM 79 CG2 ILE A 4 3.081 -4.189 2.024 1.00 0.57 C ATOM 80 CD1 ILE A 4 0.721 -7.143 2.109 1.00 0.72 C ATOM 81 H ILE A 4 -0.912 -4.996 0.756 1.00 0.45 H ATOM 82 HA ILE A 4 0.654 -3.288 2.587 1.00 0.38 H ATOM 83 HB ILE A 4 1.851 -5.303 0.670 1.00 0.61 H ATOM 84 HG12 ILE A 4 2.487 -6.392 3.016 1.00 0.69 H ATOM 85 HG13 ILE A 4 1.013 -5.582 3.571 1.00 0.60 H ATOM 86 HG21 ILE A 4 3.351 -3.443 1.278 1.00 1.56 H ATOM 87 HG22 ILE A 4 3.013 -3.723 3.007 1.00 1.21 H ATOM 88 HG23 ILE A 4 3.881 -4.931 2.041 1.00 1.34 H ATOM 89 HD11 ILE A 4 -0.300 -6.829 1.929 1.00 1.28 H ATOM 90 HD12 ILE A 4 1.176 -7.464 1.174 1.00 1.39 H ATOM 91 HD13 ILE A 4 0.714 -7.973 2.815 1.00 1.76 H ATOM 92 N HIS A 5 1.426 -1.808 0.698 1.00 0.29 N ATOM 93 CA HIS A 5 1.555 -0.799 -0.315 1.00 0.25 C ATOM 94 C HIS A 5 2.864 -0.045 -0.139 1.00 0.23 C ATOM 95 O HIS A 5 3.620 -0.276 0.802 1.00 0.27 O ATOM 96 CB HIS A 5 0.356 0.153 -0.338 1.00 0.25 C ATOM 97 CG HIS A 5 -0.452 0.298 0.929 1.00 0.30 C ATOM 98 ND1 HIS A 5 -0.641 1.464 1.630 1.00 0.37 N ATOM 99 CD2 HIS A 5 -1.315 -0.632 1.440 1.00 0.35 C ATOM 100 CE1 HIS A 5 -1.618 1.247 2.525 1.00 0.44 C ATOM 101 NE2 HIS A 5 -2.033 -0.032 2.482 1.00 0.43 N ATOM 102 H HIS A 5 2.023 -1.688 1.504 1.00 0.30 H ATOM 103 HA HIS A 5 1.564 -1.310 -1.275 1.00 0.30 H ATOM 104 HB2 HIS A 5 0.681 1.138 -0.643 1.00 0.31 H ATOM 105 HB3 HIS A 5 -0.285 -0.197 -1.135 1.00 0.28 H ATOM 106 HD1 HIS A 5 -0.213 2.366 1.432 1.00 0.38 H ATOM 107 HD2 HIS A 5 -1.479 -1.613 1.013 1.00 0.37 H ATOM 108 HE1 HIS A 5 -2.060 2.026 3.133 1.00 0.53 H ATOM 109 N ILE A 6 3.093 0.850 -1.088 1.00 0.22 N ATOM 110 CA ILE A 6 4.179 1.791 -1.168 1.00 0.25 C ATOM 111 C ILE A 6 3.809 2.977 -0.282 1.00 0.22 C ATOM 112 O ILE A 6 2.645 3.126 0.087 1.00 0.19 O ATOM 113 CB ILE A 6 4.338 2.188 -2.648 1.00 0.33 C ATOM 114 CG1 ILE A 6 4.478 0.913 -3.497 1.00 0.39 C ATOM 115 CG2 ILE A 6 5.578 3.057 -2.889 1.00 0.39 C ATOM 116 CD1 ILE A 6 3.147 0.397 -4.080 1.00 0.38 C ATOM 117 H ILE A 6 2.346 1.009 -1.740 1.00 0.23 H ATOM 118 HA ILE A 6 5.094 1.321 -0.809 1.00 0.28 H ATOM 119 HB ILE A 6 3.461 2.746 -2.978 1.00 0.33 H ATOM 120 HG12 ILE A 6 5.144 1.124 -4.329 1.00 0.43 H ATOM 121 HG13 ILE A 6 4.958 0.144 -2.893 1.00 0.50 H ATOM 122 HG21 ILE A 6 5.454 4.026 -2.420 1.00 1.33 H ATOM 123 HG22 ILE A 6 6.470 2.560 -2.507 1.00 1.39 H ATOM 124 HG23 ILE A 6 5.698 3.238 -3.958 1.00 1.58 H ATOM 125 HD11 ILE A 6 2.653 1.198 -4.629 1.00 1.59 H ATOM 126 HD12 ILE A 6 3.356 -0.422 -4.769 1.00 1.51 H ATOM 127 HD13 ILE A 6 2.463 0.026 -3.313 1.00 1.45 H ATOM 128 N GLY A 7 4.800 3.813 0.027 1.00 0.25 N ATOM 129 CA GLY A 7 4.673 5.002 0.869 1.00 0.25 C ATOM 130 C GLY A 7 3.393 5.791 0.578 1.00 0.25 C ATOM 131 O GLY A 7 2.432 5.704 1.338 1.00 0.28 O ATOM 132 H GLY A 7 5.700 3.579 -0.369 1.00 0.29 H ATOM 133 HA2 GLY A 7 4.653 4.689 1.913 1.00 0.28 H ATOM 134 HA3 GLY A 7 5.539 5.646 0.724 1.00 0.29 H ATOM 135 N PRO A 8 3.343 6.554 -0.521 1.00 0.27 N ATOM 136 CA PRO A 8 2.142 7.252 -0.954 1.00 0.33 C ATOM 137 C PRO A 8 1.234 6.308 -1.762 1.00 0.41 C ATOM 138 O PRO A 8 0.752 6.666 -2.833 1.00 0.98 O ATOM 139 CB PRO A 8 2.685 8.404 -1.805 1.00 0.38 C ATOM 140 CG PRO A 8 3.885 7.757 -2.495 1.00 0.37 C ATOM 141 CD PRO A 8 4.463 6.876 -1.388 1.00 0.29 C ATOM 142 HA PRO A 8 1.590 7.646 -0.100 1.00 0.34 H ATOM 143 HB2 PRO A 8 1.957 8.797 -2.517 1.00 0.44 H ATOM 144 HB3 PRO A 8 3.034 9.203 -1.150 1.00 0.39 H ATOM 145 HG2 PRO A 8 3.543 7.136 -3.324 1.00 0.38 H ATOM 146 HG3 PRO A 8 4.605 8.500 -2.842 1.00 0.41 H ATOM 147 HD2 PRO A 8 4.905 5.979 -1.815 1.00 0.31 H ATOM 148 HD3 PRO A 8 5.210 7.432 -0.823 1.00 0.29 H ATOM 149 N GLY A 9 0.994 5.093 -1.265 1.00 0.31 N ATOM 150 CA GLY A 9 0.140 4.103 -1.903 1.00 0.32 C ATOM 151 C GLY A 9 -0.902 3.645 -0.897 1.00 0.31 C ATOM 152 O GLY A 9 -0.783 3.901 0.299 1.00 0.40 O ATOM 153 H GLY A 9 1.348 4.837 -0.348 1.00 0.66 H ATOM 154 HA2 GLY A 9 -0.373 4.507 -2.778 1.00 0.39 H ATOM 155 HA3 GLY A 9 0.743 3.249 -2.215 1.00 0.32 H ATOM 156 N ARG A 10 -1.930 2.952 -1.383 1.00 0.36 N ATOM 157 CA ARG A 10 -3.083 2.553 -0.573 1.00 0.38 C ATOM 158 C ARG A 10 -3.303 1.048 -0.557 1.00 0.26 C ATOM 159 O ARG A 10 -3.988 0.540 0.331 1.00 0.36 O ATOM 160 CB ARG A 10 -4.329 3.303 -1.042 1.00 0.55 C ATOM 161 CG ARG A 10 -4.753 2.915 -2.466 1.00 1.17 C ATOM 162 CD ARG A 10 -5.739 1.741 -2.498 1.00 2.28 C ATOM 163 NE ARG A 10 -5.788 1.140 -3.839 1.00 1.66 N ATOM 164 CZ ARG A 10 -6.880 0.990 -4.606 1.00 2.48 C ATOM 165 NH1 ARG A 10 -8.098 1.234 -4.118 1.00 3.74 N ATOM 166 NH2 ARG A 10 -6.772 0.592 -5.867 1.00 2.57 N ATOM 167 H ARG A 10 -1.960 2.828 -2.384 1.00 0.52 H ATOM 168 HA ARG A 10 -2.903 2.859 0.455 1.00 0.42 H ATOM 169 HB2 ARG A 10 -5.141 3.115 -0.339 1.00 0.94 H ATOM 170 HB3 ARG A 10 -4.095 4.367 -1.021 1.00 0.41 H ATOM 171 HG2 ARG A 10 -5.231 3.775 -2.935 1.00 1.87 H ATOM 172 HG3 ARG A 10 -3.869 2.665 -3.049 1.00 2.21 H ATOM 173 HD2 ARG A 10 -5.447 0.967 -1.796 1.00 3.48 H ATOM 174 HD3 ARG A 10 -6.714 2.116 -2.192 1.00 3.71 H ATOM 175 HE ARG A 10 -4.895 0.780 -4.195 1.00 1.14 H ATOM 176 HH11 ARG A 10 -8.219 1.494 -3.154 1.00 4.26 H ATOM 177 HH12 ARG A 10 -8.920 1.116 -4.690 1.00 4.41 H ATOM 178 HH21 ARG A 10 -5.859 0.282 -6.214 1.00 2.28 H ATOM 179 HH22 ARG A 10 -7.540 0.378 -6.479 1.00 3.17 H ATOM 180 N ALA A 11 -2.780 0.367 -1.576 1.00 0.19 N ATOM 181 CA ALA A 11 -2.644 -1.071 -1.714 1.00 0.26 C ATOM 182 C ALA A 11 -1.865 -1.341 -2.997 1.00 0.66 C ATOM 183 O ALA A 11 -1.540 -0.409 -3.730 1.00 1.20 O ATOM 184 CB ALA A 11 -4.012 -1.738 -1.729 1.00 0.56 C ATOM 185 H ALA A 11 -2.315 0.870 -2.314 1.00 0.22 H ATOM 186 HA ALA A 11 -2.076 -1.480 -0.889 1.00 0.28 H ATOM 187 HB1 ALA A 11 -4.630 -1.285 -2.509 1.00 1.77 H ATOM 188 HB2 ALA A 11 -3.895 -2.807 -1.895 1.00 1.61 H ATOM 189 HB3 ALA A 11 -4.457 -1.609 -0.746 1.00 1.09 H ATOM 190 N PHE A 12 -1.560 -2.613 -3.250 1.00 0.58 N ATOM 191 CA PHE A 12 -1.165 -3.075 -4.573 1.00 0.74 C ATOM 192 C PHE A 12 -2.371 -3.265 -5.491 1.00 0.89 C ATOM 193 O PHE A 12 -2.220 -3.400 -6.702 1.00 1.17 O ATOM 194 CB PHE A 12 -0.367 -4.372 -4.449 1.00 0.73 C ATOM 195 CG PHE A 12 -1.085 -5.493 -3.722 1.00 0.78 C ATOM 196 CD1 PHE A 12 -1.989 -6.317 -4.417 1.00 2.09 C ATOM 197 CD2 PHE A 12 -0.845 -5.717 -2.353 1.00 1.62 C ATOM 198 CE1 PHE A 12 -2.651 -7.356 -3.744 1.00 2.41 C ATOM 199 CE2 PHE A 12 -1.522 -6.748 -1.676 1.00 1.66 C ATOM 200 CZ PHE A 12 -2.430 -7.564 -2.372 1.00 1.49 C ATOM 201 H PHE A 12 -1.733 -3.306 -2.537 1.00 0.45 H ATOM 202 HA PHE A 12 -0.549 -2.311 -5.032 1.00 0.93 H ATOM 203 HB2 PHE A 12 -0.115 -4.710 -5.453 1.00 0.84 H ATOM 204 HB3 PHE A 12 0.561 -4.148 -3.926 1.00 0.89 H ATOM 205 HD1 PHE A 12 -2.171 -6.158 -5.471 1.00 3.17 H ATOM 206 HD2 PHE A 12 -0.128 -5.106 -1.827 1.00 2.82 H ATOM 207 HE1 PHE A 12 -3.332 -7.995 -4.286 1.00 3.67 H ATOM 208 HE2 PHE A 12 -1.331 -6.930 -0.630 1.00 2.69 H ATOM 209 HZ PHE A 12 -2.950 -8.360 -1.859 1.00 1.84 H ATOM 210 N TYR A 13 -3.563 -3.286 -4.902 1.00 0.93 N ATOM 211 CA TYR A 13 -4.804 -3.059 -5.620 1.00 1.47 C ATOM 212 C TYR A 13 -4.770 -1.632 -6.141 1.00 2.78 C ATOM 213 O TYR A 13 -5.345 -1.366 -7.215 1.00 3.54 O ATOM 214 CB TYR A 13 -6.030 -3.190 -4.706 1.00 1.11 C ATOM 215 CG TYR A 13 -6.043 -4.388 -3.784 1.00 1.39 C ATOM 216 CD1 TYR A 13 -5.800 -5.669 -4.303 1.00 3.04 C ATOM 217 CD2 TYR A 13 -6.317 -4.219 -2.414 1.00 2.20 C ATOM 218 CE1 TYR A 13 -5.824 -6.785 -3.452 1.00 4.06 C ATOM 219 CE2 TYR A 13 -6.330 -5.331 -1.554 1.00 2.78 C ATOM 220 CZ TYR A 13 -6.077 -6.623 -2.073 1.00 3.47 C ATOM 221 OH TYR A 13 -6.084 -7.713 -1.255 1.00 4.61 O ATOM 222 OXT TYR A 13 -4.352 -0.748 -5.356 1.00 3.52 O ATOM 223 H TYR A 13 -3.539 -3.148 -3.914 1.00 0.91 H ATOM 224 HA TYR A 13 -4.880 -3.767 -6.448 1.00 2.03 H ATOM 225 HB2 TYR A 13 -6.112 -2.286 -4.103 1.00 1.51 H ATOM 226 HB3 TYR A 13 -6.919 -3.232 -5.338 1.00 1.38 H ATOM 227 HD1 TYR A 13 -5.599 -5.796 -5.357 1.00 4.00 H ATOM 228 HD2 TYR A 13 -6.527 -3.234 -2.026 1.00 3.35 H ATOM 229 HE1 TYR A 13 -5.646 -7.764 -3.864 1.00 5.64 H ATOM 230 HE2 TYR A 13 -6.543 -5.189 -0.506 1.00 3.66 H ATOM 231 HH TYR A 13 -6.425 -7.537 -0.377 1.00 4.60 H TER 232 TYR A 13 ENDMDL MODEL 4 ATOM 1 N ARG A 1 -1.132 -6.793 9.667 1.00 4.49 N ATOM 2 CA ARG A 1 -2.010 -7.903 9.233 1.00 3.50 C ATOM 3 C ARG A 1 -3.043 -7.432 8.210 1.00 2.25 C ATOM 4 O ARG A 1 -4.231 -7.670 8.386 1.00 2.53 O ATOM 5 CB ARG A 1 -2.644 -8.608 10.453 1.00 4.97 C ATOM 6 CG ARG A 1 -3.633 -7.736 11.252 1.00 6.32 C ATOM 7 CD ARG A 1 -3.846 -8.260 12.677 1.00 8.25 C ATOM 8 NE ARG A 1 -4.641 -7.310 13.472 1.00 9.73 N ATOM 9 CZ ARG A 1 -5.968 -7.132 13.404 1.00 11.02 C ATOM 10 NH1 ARG A 1 -6.713 -7.899 12.608 1.00 11.06 N ATOM 11 NH2 ARG A 1 -6.548 -6.174 14.130 1.00 12.56 N ATOM 12 H1 ARG A 1 -1.683 -6.067 10.101 1.00 4.95 H ATOM 13 H2 ARG A 1 -0.452 -7.136 10.332 1.00 5.31 H ATOM 14 H3 ARG A 1 -0.640 -6.403 8.875 1.00 4.70 H ATOM 15 HA ARG A 1 -1.396 -8.634 8.717 1.00 3.78 H ATOM 16 HB2 ARG A 1 -3.158 -9.511 10.120 1.00 5.03 H ATOM 17 HB3 ARG A 1 -1.836 -8.919 11.117 1.00 6.01 H ATOM 18 HG2 ARG A 1 -3.255 -6.717 11.316 1.00 6.70 H ATOM 19 HG3 ARG A 1 -4.599 -7.715 10.750 1.00 6.28 H ATOM 20 HD2 ARG A 1 -4.335 -9.234 12.649 1.00 8.31 H ATOM 21 HD3 ARG A 1 -2.875 -8.380 13.158 1.00 8.91 H ATOM 22 HE ARG A 1 -4.107 -6.753 14.125 1.00 10.06 H ATOM 23 HH11 ARG A 1 -6.282 -8.645 12.083 1.00 10.09 H ATOM 24 HH12 ARG A 1 -7.716 -7.809 12.556 1.00 12.27 H ATOM 25 HH21 ARG A 1 -6.007 -5.581 14.743 1.00 12.76 H ATOM 26 HH22 ARG A 1 -7.546 -6.027 14.114 1.00 13.75 H ATOM 27 N LYS A 2 -2.614 -6.739 7.151 1.00 1.62 N ATOM 28 CA LYS A 2 -3.508 -6.192 6.139 1.00 0.64 C ATOM 29 C LYS A 2 -2.747 -6.149 4.812 1.00 0.76 C ATOM 30 O LYS A 2 -1.677 -6.745 4.710 1.00 1.94 O ATOM 31 CB LYS A 2 -4.022 -4.804 6.576 1.00 1.71 C ATOM 32 CG LYS A 2 -5.055 -4.928 7.704 1.00 2.81 C ATOM 33 CD LYS A 2 -5.985 -3.708 7.752 1.00 4.17 C ATOM 34 CE LYS A 2 -7.157 -3.991 8.699 1.00 5.29 C ATOM 35 NZ LYS A 2 -8.222 -2.969 8.593 1.00 6.87 N ATOM 36 H LYS A 2 -1.635 -6.681 6.895 1.00 2.42 H ATOM 37 HA LYS A 2 -4.354 -6.871 6.010 1.00 0.96 H ATOM 38 HB2 LYS A 2 -3.190 -4.176 6.895 1.00 2.34 H ATOM 39 HB3 LYS A 2 -4.512 -4.314 5.738 1.00 2.60 H ATOM 40 HG2 LYS A 2 -5.673 -5.806 7.515 1.00 3.04 H ATOM 41 HG3 LYS A 2 -4.541 -5.058 8.660 1.00 3.40 H ATOM 42 HD2 LYS A 2 -5.430 -2.826 8.078 1.00 4.51 H ATOM 43 HD3 LYS A 2 -6.383 -3.531 6.751 1.00 4.65 H ATOM 44 HE2 LYS A 2 -7.574 -4.967 8.441 1.00 5.42 H ATOM 45 HE3 LYS A 2 -6.788 -4.038 9.726 1.00 5.35 H ATOM 46 HZ1 LYS A 2 -8.432 -2.776 7.622 1.00 7.35 H ATOM 47 HZ2 LYS A 2 -9.067 -3.301 9.040 1.00 7.67 H ATOM 48 HZ3 LYS A 2 -7.935 -2.109 9.042 1.00 7.18 H ATOM 49 N ARG A 3 -3.316 -5.472 3.810 1.00 0.55 N ATOM 50 CA ARG A 3 -2.692 -5.223 2.517 1.00 0.47 C ATOM 51 C ARG A 3 -1.367 -4.483 2.714 1.00 0.41 C ATOM 52 O ARG A 3 -1.082 -3.986 3.802 1.00 0.57 O ATOM 53 CB ARG A 3 -3.657 -4.397 1.653 1.00 0.61 C ATOM 54 CG ARG A 3 -4.912 -5.194 1.262 1.00 1.81 C ATOM 55 CD ARG A 3 -6.106 -4.246 1.081 1.00 2.25 C ATOM 56 NE ARG A 3 -7.263 -4.912 0.457 1.00 3.73 N ATOM 57 CZ ARG A 3 -8.107 -5.770 1.048 1.00 4.42 C ATOM 58 NH1 ARG A 3 -7.927 -6.132 2.319 1.00 3.92 N ATOM 59 NH2 ARG A 3 -9.138 -6.267 0.364 1.00 6.08 N ATOM 60 H ARG A 3 -4.179 -4.991 3.989 1.00 1.50 H ATOM 61 HA ARG A 3 -2.480 -6.178 2.035 1.00 0.45 H ATOM 62 HB2 ARG A 3 -3.945 -3.505 2.212 1.00 1.14 H ATOM 63 HB3 ARG A 3 -3.155 -4.073 0.740 1.00 1.37 H ATOM 64 HG2 ARG A 3 -4.719 -5.727 0.331 1.00 2.86 H ATOM 65 HG3 ARG A 3 -5.153 -5.925 2.033 1.00 2.74 H ATOM 66 HD2 ARG A 3 -6.394 -3.833 2.049 1.00 2.34 H ATOM 67 HD3 ARG A 3 -5.799 -3.418 0.443 1.00 3.08 H ATOM 68 HE ARG A 3 -7.420 -4.674 -0.513 1.00 4.62 H ATOM 69 HH11 ARG A 3 -7.149 -5.759 2.836 1.00 3.17 H ATOM 70 HH12 ARG A 3 -8.535 -6.794 2.777 1.00 4.74 H ATOM 71 HH21 ARG A 3 -9.299 -6.007 -0.600 1.00 6.89 H ATOM 72 HH22 ARG A 3 -9.789 -6.918 0.776 1.00 6.74 H ATOM 73 N ILE A 4 -0.571 -4.400 1.649 1.00 0.32 N ATOM 74 CA ILE A 4 0.774 -3.848 1.676 1.00 0.28 C ATOM 75 C ILE A 4 0.909 -2.938 0.475 1.00 0.23 C ATOM 76 O ILE A 4 0.297 -3.185 -0.567 1.00 0.23 O ATOM 77 CB ILE A 4 1.890 -4.914 1.709 1.00 0.40 C ATOM 78 CG1 ILE A 4 1.438 -6.251 2.306 1.00 0.67 C ATOM 79 CG2 ILE A 4 3.068 -4.406 2.538 1.00 0.58 C ATOM 80 CD1 ILE A 4 0.623 -6.998 1.257 1.00 0.81 C ATOM 81 H ILE A 4 -0.884 -4.731 0.748 1.00 0.35 H ATOM 82 HA ILE A 4 0.853 -3.246 2.565 1.00 0.31 H ATOM 83 HB ILE A 4 2.255 -5.093 0.696 1.00 0.38 H ATOM 84 HG12 ILE A 4 2.303 -6.861 2.569 1.00 0.82 H ATOM 85 HG13 ILE A 4 0.848 -6.079 3.206 1.00 0.76 H ATOM 86 HG21 ILE A 4 3.441 -3.470 2.126 1.00 1.25 H ATOM 87 HG22 ILE A 4 2.752 -4.258 3.571 1.00 1.63 H ATOM 88 HG23 ILE A 4 3.868 -5.145 2.510 1.00 1.33 H ATOM 89 HD11 ILE A 4 -0.255 -7.437 1.725 1.00 1.22 H ATOM 90 HD12 ILE A 4 0.320 -6.299 0.480 1.00 1.75 H ATOM 91 HD13 ILE A 4 1.242 -7.767 0.802 1.00 1.57 H ATOM 92 N HIS A 5 1.613 -1.827 0.650 1.00 0.22 N ATOM 93 CA HIS A 5 1.740 -0.831 -0.380 1.00 0.17 C ATOM 94 C HIS A 5 2.991 -0.002 -0.121 1.00 0.19 C ATOM 95 O HIS A 5 3.708 -0.210 0.855 1.00 0.24 O ATOM 96 CB HIS A 5 0.487 0.047 -0.498 1.00 0.14 C ATOM 97 CG HIS A 5 -0.389 0.165 0.728 1.00 0.26 C ATOM 98 ND1 HIS A 5 -0.640 1.310 1.448 1.00 0.36 N ATOM 99 CD2 HIS A 5 -1.204 -0.813 1.222 1.00 0.35 C ATOM 100 CE1 HIS A 5 -1.602 1.021 2.342 1.00 0.47 C ATOM 101 NE2 HIS A 5 -1.961 -0.271 2.259 1.00 0.47 N ATOM 102 H HIS A 5 2.125 -1.629 1.499 1.00 0.25 H ATOM 103 HA HIS A 5 1.846 -1.360 -1.323 1.00 0.19 H ATOM 104 HB2 HIS A 5 0.767 1.044 -0.815 1.00 0.18 H ATOM 105 HB3 HIS A 5 -0.101 -0.365 -1.314 1.00 0.18 H ATOM 106 HD1 HIS A 5 -0.231 2.229 1.296 1.00 0.36 H ATOM 107 HD2 HIS A 5 -1.275 -1.810 0.821 1.00 0.36 H ATOM 108 HE1 HIS A 5 -2.065 1.744 2.997 1.00 0.58 H ATOM 109 N ILE A 6 3.237 0.921 -1.039 1.00 0.18 N ATOM 110 CA ILE A 6 4.317 1.877 -1.028 1.00 0.21 C ATOM 111 C ILE A 6 3.891 3.026 -0.117 1.00 0.20 C ATOM 112 O ILE A 6 2.719 3.119 0.236 1.00 0.18 O ATOM 113 CB ILE A 6 4.569 2.318 -2.480 1.00 0.26 C ATOM 114 CG1 ILE A 6 4.782 1.067 -3.350 1.00 0.30 C ATOM 115 CG2 ILE A 6 5.828 3.187 -2.610 1.00 0.31 C ATOM 116 CD1 ILE A 6 3.490 0.403 -3.863 1.00 0.29 C ATOM 117 H ILE A 6 2.545 1.044 -1.757 1.00 0.17 H ATOM 118 HA ILE A 6 5.217 1.396 -0.649 1.00 0.26 H ATOM 119 HB ILE A 6 3.717 2.885 -2.856 1.00 0.24 H ATOM 120 HG12 ILE A 6 5.366 1.364 -4.212 1.00 0.36 H ATOM 121 HG13 ILE A 6 5.383 0.352 -2.788 1.00 0.33 H ATOM 122 HG21 ILE A 6 6.047 3.372 -3.662 1.00 1.41 H ATOM 123 HG22 ILE A 6 5.671 4.158 -2.153 1.00 1.58 H ATOM 124 HG23 ILE A 6 6.682 2.686 -2.151 1.00 1.69 H ATOM 125 HD11 ILE A 6 2.731 1.157 -4.072 1.00 1.47 H ATOM 126 HD12 ILE A 6 3.708 -0.145 -4.780 1.00 1.54 H ATOM 127 HD13 ILE A 6 3.085 -0.309 -3.144 1.00 1.56 H ATOM 128 N GLY A 7 4.831 3.910 0.221 1.00 0.24 N ATOM 129 CA GLY A 7 4.624 5.080 1.079 1.00 0.27 C ATOM 130 C GLY A 7 3.297 5.807 0.825 1.00 0.28 C ATOM 131 O GLY A 7 2.387 5.717 1.643 1.00 0.31 O ATOM 132 H GLY A 7 5.754 3.718 -0.140 1.00 0.27 H ATOM 133 HA2 GLY A 7 4.635 4.749 2.118 1.00 0.29 H ATOM 134 HA3 GLY A 7 5.448 5.779 0.939 1.00 0.28 H ATOM 135 N PRO A 8 3.162 6.537 -0.292 1.00 0.30 N ATOM 136 CA PRO A 8 1.922 7.209 -0.669 1.00 0.34 C ATOM 137 C PRO A 8 0.944 6.271 -1.395 1.00 0.37 C ATOM 138 O PRO A 8 -0.053 6.726 -1.951 1.00 0.68 O ATOM 139 CB PRO A 8 2.380 8.340 -1.593 1.00 0.37 C ATOM 140 CG PRO A 8 3.582 7.727 -2.309 1.00 0.35 C ATOM 141 CD PRO A 8 4.225 6.859 -1.228 1.00 0.31 C ATOM 142 HA PRO A 8 1.427 7.627 0.210 1.00 0.36 H ATOM 143 HB2 PRO A 8 1.605 8.653 -2.296 1.00 0.42 H ATOM 144 HB3 PRO A 8 2.709 9.189 -0.992 1.00 0.37 H ATOM 145 HG2 PRO A 8 3.239 7.097 -3.132 1.00 0.35 H ATOM 146 HG3 PRO A 8 4.269 8.492 -2.672 1.00 0.38 H ATOM 147 HD2 PRO A 8 4.638 5.958 -1.673 1.00 0.31 H ATOM 148 HD3 PRO A 8 5.003 7.424 -0.714 1.00 0.31 H ATOM 149 N GLY A 9 1.224 4.968 -1.437 1.00 0.23 N ATOM 150 CA GLY A 9 0.365 3.985 -2.071 1.00 0.23 C ATOM 151 C GLY A 9 -0.727 3.552 -1.096 1.00 0.23 C ATOM 152 O GLY A 9 -0.611 3.771 0.108 1.00 0.37 O ATOM 153 H GLY A 9 1.965 4.613 -0.855 1.00 0.42 H ATOM 154 HA2 GLY A 9 -0.085 4.410 -2.968 1.00 0.29 H ATOM 155 HA3 GLY A 9 0.974 3.123 -2.345 1.00 0.24 H ATOM 156 N ARG A 10 -1.784 2.901 -1.599 1.00 0.31 N ATOM 157 CA ARG A 10 -2.945 2.537 -0.778 1.00 0.32 C ATOM 158 C ARG A 10 -3.262 1.048 -0.739 1.00 0.29 C ATOM 159 O ARG A 10 -4.041 0.625 0.107 1.00 0.43 O ATOM 160 CB ARG A 10 -4.161 3.371 -1.173 1.00 0.49 C ATOM 161 CG ARG A 10 -4.687 3.093 -2.586 1.00 1.15 C ATOM 162 CD ARG A 10 -5.631 1.881 -2.670 1.00 2.10 C ATOM 163 NE ARG A 10 -5.208 0.940 -3.719 1.00 1.34 N ATOM 164 CZ ARG A 10 -5.672 0.837 -4.972 1.00 1.83 C ATOM 165 NH1 ARG A 10 -6.630 1.655 -5.407 1.00 2.55 N ATOM 166 NH2 ARG A 10 -5.163 -0.084 -5.791 1.00 2.05 N ATOM 167 H ARG A 10 -1.837 2.811 -2.601 1.00 0.50 H ATOM 168 HA ARG A 10 -2.730 2.817 0.249 1.00 0.36 H ATOM 169 HB2 ARG A 10 -4.949 3.207 -0.440 1.00 0.88 H ATOM 170 HB3 ARG A 10 -3.852 4.411 -1.122 1.00 0.44 H ATOM 171 HG2 ARG A 10 -5.234 3.973 -2.923 1.00 1.95 H ATOM 172 HG3 ARG A 10 -3.835 2.955 -3.248 1.00 2.17 H ATOM 173 HD2 ARG A 10 -5.643 1.355 -1.716 1.00 3.40 H ATOM 174 HD3 ARG A 10 -6.648 2.227 -2.848 1.00 3.52 H ATOM 175 HE ARG A 10 -4.465 0.308 -3.454 1.00 0.84 H ATOM 176 HH11 ARG A 10 -7.004 2.364 -4.796 1.00 2.78 H ATOM 177 HH12 ARG A 10 -6.988 1.599 -6.348 1.00 3.04 H ATOM 178 HH21 ARG A 10 -4.393 -0.672 -5.480 1.00 1.73 H ATOM 179 HH22 ARG A 10 -5.489 -0.229 -6.733 1.00 2.65 H ATOM 180 N ALA A 11 -2.699 0.287 -1.679 1.00 0.21 N ATOM 181 CA ALA A 11 -2.685 -1.169 -1.820 1.00 0.28 C ATOM 182 C ALA A 11 -2.469 -1.492 -3.290 1.00 0.41 C ATOM 183 O ALA A 11 -2.927 -0.734 -4.143 1.00 0.68 O ATOM 184 CB ALA A 11 -3.976 -1.814 -1.335 1.00 0.44 C ATOM 185 H ALA A 11 -2.227 0.792 -2.402 1.00 0.22 H ATOM 186 HA ALA A 11 -1.858 -1.588 -1.253 1.00 0.41 H ATOM 187 HB1 ALA A 11 -3.974 -2.867 -1.611 1.00 1.97 H ATOM 188 HB2 ALA A 11 -4.043 -1.745 -0.252 1.00 1.77 H ATOM 189 HB3 ALA A 11 -4.816 -1.299 -1.799 1.00 1.48 H ATOM 190 N PHE A 12 -1.809 -2.605 -3.601 1.00 0.55 N ATOM 191 CA PHE A 12 -1.666 -3.013 -4.993 1.00 0.73 C ATOM 192 C PHE A 12 -2.983 -3.532 -5.575 1.00 0.71 C ATOM 193 O PHE A 12 -3.344 -3.163 -6.689 1.00 1.37 O ATOM 194 CB PHE A 12 -0.466 -3.956 -5.161 1.00 1.12 C ATOM 195 CG PHE A 12 -0.313 -5.047 -4.116 1.00 1.33 C ATOM 196 CD1 PHE A 12 -1.105 -6.203 -4.183 1.00 1.86 C ATOM 197 CD2 PHE A 12 0.645 -4.929 -3.090 1.00 2.58 C ATOM 198 CE1 PHE A 12 -0.957 -7.228 -3.235 1.00 2.11 C ATOM 199 CE2 PHE A 12 0.822 -5.969 -2.165 1.00 3.09 C ATOM 200 CZ PHE A 12 0.018 -7.118 -2.230 1.00 2.38 C ATOM 201 H PHE A 12 -1.407 -3.187 -2.878 1.00 0.72 H ATOM 202 HA PHE A 12 -1.461 -2.127 -5.568 1.00 0.94 H ATOM 203 HB2 PHE A 12 -0.510 -4.411 -6.151 1.00 1.14 H ATOM 204 HB3 PHE A 12 0.435 -3.340 -5.139 1.00 1.51 H ATOM 205 HD1 PHE A 12 -1.821 -6.322 -4.978 1.00 2.85 H ATOM 206 HD2 PHE A 12 1.267 -4.053 -2.993 1.00 3.55 H ATOM 207 HE1 PHE A 12 -1.580 -8.108 -3.299 1.00 2.92 H ATOM 208 HE2 PHE A 12 1.584 -5.877 -1.406 1.00 4.35 H ATOM 209 HZ PHE A 12 0.152 -7.919 -1.518 1.00 2.86 H ATOM 210 N TYR A 13 -3.717 -4.274 -4.746 1.00 0.94 N ATOM 211 CA TYR A 13 -4.878 -5.108 -5.032 1.00 1.62 C ATOM 212 C TYR A 13 -4.538 -6.275 -5.958 1.00 3.40 C ATOM 213 O TYR A 13 -5.360 -7.215 -5.965 1.00 4.27 O ATOM 214 CB TYR A 13 -6.048 -4.289 -5.578 1.00 1.44 C ATOM 215 CG TYR A 13 -6.860 -3.438 -4.617 1.00 1.49 C ATOM 216 CD1 TYR A 13 -6.486 -3.262 -3.271 1.00 2.21 C ATOM 217 CD2 TYR A 13 -8.040 -2.836 -5.094 1.00 3.09 C ATOM 218 CE1 TYR A 13 -7.274 -2.474 -2.410 1.00 3.26 C ATOM 219 CE2 TYR A 13 -8.837 -2.053 -4.241 1.00 4.13 C ATOM 220 CZ TYR A 13 -8.453 -1.863 -2.897 1.00 3.93 C ATOM 221 OH TYR A 13 -9.228 -1.093 -2.082 1.00 5.25 O ATOM 222 OXT TYR A 13 -3.463 -6.240 -6.591 1.00 4.31 O ATOM 223 H TYR A 13 -3.269 -4.421 -3.876 1.00 1.33 H ATOM 224 HA TYR A 13 -5.204 -5.576 -4.105 1.00 2.10 H ATOM 225 HB2 TYR A 13 -5.692 -3.663 -6.390 1.00 2.28 H ATOM 226 HB3 TYR A 13 -6.729 -5.013 -6.004 1.00 1.87 H ATOM 227 HD1 TYR A 13 -5.594 -3.736 -2.903 1.00 3.01 H ATOM 228 HD2 TYR A 13 -8.340 -2.990 -6.121 1.00 4.00 H ATOM 229 HE1 TYR A 13 -6.972 -2.330 -1.385 1.00 4.26 H ATOM 230 HE2 TYR A 13 -9.747 -1.602 -4.609 1.00 5.51 H ATOM 231 HH TYR A 13 -8.887 -0.985 -1.193 1.00 5.51 H TER 232 TYR A 13 ENDMDL MODEL 5 ATOM 1 N ARG A 1 -2.081 -4.890 9.858 1.00 5.15 N ATOM 2 CA ARG A 1 -2.310 -4.600 8.428 1.00 4.72 C ATOM 3 C ARG A 1 -2.719 -5.880 7.716 1.00 2.69 C ATOM 4 O ARG A 1 -2.277 -6.951 8.129 1.00 3.01 O ATOM 5 CB ARG A 1 -1.075 -3.956 7.768 1.00 6.34 C ATOM 6 CG ARG A 1 0.206 -4.813 7.759 1.00 6.90 C ATOM 7 CD ARG A 1 0.234 -5.890 6.661 1.00 7.24 C ATOM 8 NE ARG A 1 0.446 -7.235 7.222 1.00 7.40 N ATOM 9 CZ ARG A 1 1.637 -7.805 7.465 1.00 8.48 C ATOM 10 NH1 ARG A 1 2.763 -7.133 7.230 1.00 9.56 N ATOM 11 NH2 ARG A 1 1.699 -9.043 7.954 1.00 8.96 N ATOM 12 H1 ARG A 1 -1.401 -5.634 9.941 1.00 5.28 H ATOM 13 H2 ARG A 1 -1.754 -4.065 10.339 1.00 6.49 H ATOM 14 H3 ARG A 1 -2.943 -5.207 10.282 1.00 4.43 H ATOM 15 HA ARG A 1 -3.134 -3.890 8.356 1.00 5.27 H ATOM 16 HB2 ARG A 1 -1.321 -3.676 6.743 1.00 7.07 H ATOM 17 HB3 ARG A 1 -0.858 -3.035 8.312 1.00 7.06 H ATOM 18 HG2 ARG A 1 1.053 -4.148 7.586 1.00 7.40 H ATOM 19 HG3 ARG A 1 0.351 -5.269 8.739 1.00 7.04 H ATOM 20 HD2 ARG A 1 -0.703 -5.889 6.108 1.00 7.59 H ATOM 21 HD3 ARG A 1 1.018 -5.655 5.940 1.00 7.56 H ATOM 22 HE ARG A 1 -0.406 -7.739 7.440 1.00 7.04 H ATOM 23 HH11 ARG A 1 2.729 -6.199 6.854 1.00 9.70 H ATOM 24 HH12 ARG A 1 3.674 -7.533 7.401 1.00 10.56 H ATOM 25 HH21 ARG A 1 0.863 -9.585 8.123 1.00 8.72 H ATOM 26 HH22 ARG A 1 2.582 -9.492 8.145 1.00 9.89 H ATOM 27 N LYS A 2 -3.524 -5.782 6.653 1.00 1.91 N ATOM 28 CA LYS A 2 -3.960 -6.938 5.865 1.00 0.85 C ATOM 29 C LYS A 2 -3.600 -6.775 4.387 1.00 1.03 C ATOM 30 O LYS A 2 -4.073 -7.521 3.541 1.00 2.46 O ATOM 31 CB LYS A 2 -5.479 -7.135 5.998 1.00 2.74 C ATOM 32 CG LYS A 2 -6.013 -6.987 7.427 1.00 3.50 C ATOM 33 CD LYS A 2 -5.366 -7.973 8.408 1.00 4.74 C ATOM 34 CE LYS A 2 -6.443 -8.630 9.280 1.00 6.04 C ATOM 35 NZ LYS A 2 -5.877 -9.627 10.216 1.00 7.68 N ATOM 36 H LYS A 2 -3.885 -4.880 6.371 1.00 3.29 H ATOM 37 HA LYS A 2 -3.452 -7.835 6.218 1.00 1.66 H ATOM 38 HB2 LYS A 2 -5.987 -6.399 5.373 1.00 3.46 H ATOM 39 HB3 LYS A 2 -5.740 -8.125 5.621 1.00 3.83 H ATOM 40 HG2 LYS A 2 -5.845 -5.964 7.768 1.00 3.13 H ATOM 41 HG3 LYS A 2 -7.090 -7.157 7.398 1.00 4.90 H ATOM 42 HD2 LYS A 2 -4.831 -8.742 7.850 1.00 5.61 H ATOM 43 HD3 LYS A 2 -4.659 -7.436 9.039 1.00 4.76 H ATOM 44 HE2 LYS A 2 -6.972 -7.857 9.842 1.00 5.98 H ATOM 45 HE3 LYS A 2 -7.164 -9.123 8.624 1.00 6.40 H ATOM 46 HZ1 LYS A 2 -6.346 -10.516 10.096 1.00 8.55 H ATOM 47 HZ2 LYS A 2 -4.889 -9.759 10.045 1.00 7.82 H ATOM 48 HZ3 LYS A 2 -6.009 -9.325 11.172 1.00 8.27 H ATOM 49 N ARG A 3 -2.786 -5.769 4.083 1.00 0.68 N ATOM 50 CA ARG A 3 -2.356 -5.400 2.742 1.00 0.54 C ATOM 51 C ARG A 3 -1.032 -4.653 2.866 1.00 0.47 C ATOM 52 O ARG A 3 -0.620 -4.352 3.988 1.00 0.66 O ATOM 53 CB ARG A 3 -3.451 -4.560 2.068 1.00 0.71 C ATOM 54 CG ARG A 3 -3.751 -3.236 2.790 1.00 2.56 C ATOM 55 CD ARG A 3 -5.252 -2.945 2.720 1.00 2.76 C ATOM 56 NE ARG A 3 -5.565 -1.590 3.190 1.00 4.36 N ATOM 57 CZ ARG A 3 -6.798 -1.148 3.478 1.00 5.05 C ATOM 58 NH1 ARG A 3 -7.848 -1.964 3.362 1.00 4.45 N ATOM 59 NH2 ARG A 3 -6.982 0.109 3.882 1.00 6.66 N ATOM 60 H ARG A 3 -2.381 -5.244 4.839 1.00 1.79 H ATOM 61 HA ARG A 3 -2.201 -6.311 2.159 1.00 0.48 H ATOM 62 HB2 ARG A 3 -3.164 -4.344 1.038 1.00 1.31 H ATOM 63 HB3 ARG A 3 -4.358 -5.164 2.036 1.00 1.90 H ATOM 64 HG2 ARG A 3 -3.455 -3.286 3.838 1.00 3.74 H ATOM 65 HG3 ARG A 3 -3.196 -2.433 2.308 1.00 3.57 H ATOM 66 HD2 ARG A 3 -5.591 -3.047 1.689 1.00 2.57 H ATOM 67 HD3 ARG A 3 -5.771 -3.679 3.340 1.00 2.92 H ATOM 68 HE ARG A 3 -4.781 -0.949 3.221 1.00 5.20 H ATOM 69 HH11 ARG A 3 -7.719 -2.907 3.029 1.00 3.58 H ATOM 70 HH12 ARG A 3 -8.791 -1.661 3.555 1.00 5.18 H ATOM 71 HH21 ARG A 3 -6.201 0.746 3.960 1.00 7.43 H ATOM 72 HH22 ARG A 3 -7.899 0.470 4.099 1.00 7.28 H ATOM 73 N ILE A 4 -0.365 -4.383 1.743 1.00 0.33 N ATOM 74 CA ILE A 4 0.961 -3.780 1.702 1.00 0.30 C ATOM 75 C ILE A 4 1.010 -2.865 0.495 1.00 0.24 C ATOM 76 O ILE A 4 0.309 -3.100 -0.491 1.00 0.22 O ATOM 77 CB ILE A 4 2.120 -4.801 1.653 1.00 0.38 C ATOM 78 CG1 ILE A 4 1.762 -6.174 2.229 1.00 0.61 C ATOM 79 CG2 ILE A 4 3.317 -4.270 2.438 1.00 0.47 C ATOM 80 CD1 ILE A 4 0.896 -6.916 1.219 1.00 0.79 C ATOM 81 H ILE A 4 -0.753 -4.611 0.838 1.00 0.37 H ATOM 82 HA ILE A 4 1.067 -3.178 2.588 1.00 0.36 H ATOM 83 HB ILE A 4 2.438 -4.936 0.620 1.00 0.44 H ATOM 84 HG12 ILE A 4 2.665 -6.757 2.403 1.00 0.76 H ATOM 85 HG13 ILE A 4 1.237 -6.053 3.176 1.00 0.67 H ATOM 86 HG21 ILE A 4 4.145 -4.973 2.337 1.00 1.72 H ATOM 87 HG22 ILE A 4 3.631 -3.306 2.042 1.00 1.42 H ATOM 88 HG23 ILE A 4 3.053 -4.173 3.491 1.00 1.44 H ATOM 89 HD11 ILE A 4 0.053 -7.375 1.730 1.00 1.07 H ATOM 90 HD12 ILE A 4 0.536 -6.209 0.475 1.00 1.75 H ATOM 91 HD13 ILE A 4 1.498 -7.670 0.716 1.00 1.68 H ATOM 92 N HIS A 5 1.745 -1.765 0.611 1.00 0.25 N ATOM 93 CA HIS A 5 1.805 -0.767 -0.426 1.00 0.19 C ATOM 94 C HIS A 5 3.067 0.069 -0.243 1.00 0.21 C ATOM 95 O HIS A 5 3.844 -0.142 0.686 1.00 0.27 O ATOM 96 CB HIS A 5 0.543 0.104 -0.462 1.00 0.17 C ATOM 97 CG HIS A 5 -0.236 0.237 0.824 1.00 0.24 C ATOM 98 ND1 HIS A 5 -0.423 1.389 1.553 1.00 0.32 N ATOM 99 CD2 HIS A 5 -1.007 -0.736 1.397 1.00 0.30 C ATOM 100 CE1 HIS A 5 -1.308 1.110 2.527 1.00 0.41 C ATOM 101 NE2 HIS A 5 -1.674 -0.182 2.491 1.00 0.39 N ATOM 102 H HIS A 5 2.331 -1.574 1.414 1.00 0.30 H ATOM 103 HA HIS A 5 1.851 -1.295 -1.373 1.00 0.19 H ATOM 104 HB2 HIS A 5 0.798 1.095 -0.815 1.00 0.20 H ATOM 105 HB3 HIS A 5 -0.101 -0.318 -1.229 1.00 0.18 H ATOM 106 HD1 HIS A 5 -0.026 2.305 1.358 1.00 0.33 H ATOM 107 HD2 HIS A 5 -1.104 -1.739 1.014 1.00 0.33 H ATOM 108 HE1 HIS A 5 -1.711 1.846 3.208 1.00 0.51 H ATOM 109 N ILE A 6 3.251 1.004 -1.166 1.00 0.18 N ATOM 110 CA ILE A 6 4.325 1.969 -1.214 1.00 0.21 C ATOM 111 C ILE A 6 3.940 3.120 -0.285 1.00 0.18 C ATOM 112 O ILE A 6 2.789 3.205 0.131 1.00 0.16 O ATOM 113 CB ILE A 6 4.500 2.412 -2.676 1.00 0.25 C ATOM 114 CG1 ILE A 6 4.679 1.164 -3.556 1.00 0.30 C ATOM 115 CG2 ILE A 6 5.742 3.294 -2.870 1.00 0.31 C ATOM 116 CD1 ILE A 6 3.367 0.478 -3.985 1.00 0.26 C ATOM 117 H ILE A 6 2.519 1.126 -1.843 1.00 0.16 H ATOM 118 HA ILE A 6 5.247 1.496 -0.883 1.00 0.27 H ATOM 119 HB ILE A 6 3.624 2.971 -3.009 1.00 0.23 H ATOM 120 HG12 ILE A 6 5.200 1.468 -4.455 1.00 0.37 H ATOM 121 HG13 ILE A 6 5.325 0.458 -3.033 1.00 0.34 H ATOM 122 HG21 ILE A 6 5.594 4.267 -2.417 1.00 1.39 H ATOM 123 HG22 ILE A 6 6.621 2.808 -2.444 1.00 1.33 H ATOM 124 HG23 ILE A 6 5.914 3.469 -3.932 1.00 1.51 H ATOM 125 HD11 ILE A 6 3.034 -0.255 -3.248 1.00 1.52 H ATOM 126 HD12 ILE A 6 2.575 1.217 -4.120 1.00 1.60 H ATOM 127 HD13 ILE A 6 3.527 -0.049 -4.926 1.00 1.55 H ATOM 128 N GLY A 7 4.889 4.014 -0.003 1.00 0.20 N ATOM 129 CA GLY A 7 4.724 5.187 0.858 1.00 0.20 C ATOM 130 C GLY A 7 3.378 5.903 0.680 1.00 0.19 C ATOM 131 O GLY A 7 2.519 5.805 1.549 1.00 0.25 O ATOM 132 H GLY A 7 5.794 3.827 -0.412 1.00 0.24 H ATOM 133 HA2 GLY A 7 4.799 4.864 1.897 1.00 0.25 H ATOM 134 HA3 GLY A 7 5.532 5.892 0.666 1.00 0.23 H ATOM 135 N PRO A 8 3.173 6.633 -0.427 1.00 0.22 N ATOM 136 CA PRO A 8 1.905 7.287 -0.729 1.00 0.30 C ATOM 137 C PRO A 8 0.892 6.332 -1.384 1.00 0.38 C ATOM 138 O PRO A 8 -0.159 6.767 -1.845 1.00 0.78 O ATOM 139 CB PRO A 8 2.285 8.421 -1.686 1.00 0.36 C ATOM 140 CG PRO A 8 3.476 7.846 -2.454 1.00 0.34 C ATOM 141 CD PRO A 8 4.176 6.961 -1.423 1.00 0.27 C ATOM 142 HA PRO A 8 1.462 7.704 0.176 1.00 0.31 H ATOM 143 HB2 PRO A 8 1.470 8.699 -2.356 1.00 0.44 H ATOM 144 HB3 PRO A 8 2.611 9.287 -1.109 1.00 0.37 H ATOM 145 HG2 PRO A 8 3.118 7.232 -3.283 1.00 0.35 H ATOM 146 HG3 PRO A 8 4.135 8.635 -2.819 1.00 0.39 H ATOM 147 HD2 PRO A 8 4.553 6.063 -1.904 1.00 0.31 H ATOM 148 HD3 PRO A 8 4.992 7.512 -0.954 1.00 0.27 H ATOM 149 N GLY A 9 1.198 5.036 -1.464 1.00 0.21 N ATOM 150 CA GLY A 9 0.311 4.038 -2.032 1.00 0.21 C ATOM 151 C GLY A 9 -0.712 3.592 -0.989 1.00 0.20 C ATOM 152 O GLY A 9 -0.535 3.835 0.203 1.00 0.35 O ATOM 153 H GLY A 9 2.002 4.696 -0.963 1.00 0.47 H ATOM 154 HA2 GLY A 9 -0.201 4.454 -2.900 1.00 0.27 H ATOM 155 HA3 GLY A 9 0.913 3.184 -2.343 1.00 0.23 H ATOM 156 N ARG A 10 -1.775 2.900 -1.419 1.00 0.28 N ATOM 157 CA ARG A 10 -2.879 2.513 -0.529 1.00 0.32 C ATOM 158 C ARG A 10 -3.166 1.016 -0.475 1.00 0.25 C ATOM 159 O ARG A 10 -3.824 0.563 0.456 1.00 0.35 O ATOM 160 CB ARG A 10 -4.129 3.334 -0.845 1.00 0.55 C ATOM 161 CG ARG A 10 -4.727 3.062 -2.230 1.00 1.14 C ATOM 162 CD ARG A 10 -5.644 1.830 -2.277 1.00 2.27 C ATOM 163 NE ARG A 10 -5.264 0.915 -3.365 1.00 1.46 N ATOM 164 CZ ARG A 10 -5.780 0.844 -4.600 1.00 1.86 C ATOM 165 NH1 ARG A 10 -6.757 1.671 -4.974 1.00 2.59 N ATOM 166 NH2 ARG A 10 -5.304 -0.055 -5.460 1.00 1.99 N ATOM 167 H ARG A 10 -1.880 2.792 -2.416 1.00 0.47 H ATOM 168 HA ARG A 10 -2.603 2.796 0.482 1.00 0.37 H ATOM 169 HB2 ARG A 10 -4.875 3.157 -0.069 1.00 0.98 H ATOM 170 HB3 ARG A 10 -3.833 4.379 -0.801 1.00 0.47 H ATOM 171 HG2 ARG A 10 -5.311 3.932 -2.525 1.00 1.88 H ATOM 172 HG3 ARG A 10 -3.910 2.952 -2.940 1.00 2.06 H ATOM 173 HD2 ARG A 10 -5.586 1.288 -1.334 1.00 3.65 H ATOM 174 HD3 ARG A 10 -6.679 2.151 -2.389 1.00 3.62 H ATOM 175 HE ARG A 10 -4.517 0.270 -3.147 1.00 0.98 H ATOM 176 HH11 ARG A 10 -7.104 2.364 -4.333 1.00 2.86 H ATOM 177 HH12 ARG A 10 -7.155 1.635 -5.900 1.00 3.03 H ATOM 178 HH21 ARG A 10 -4.513 -0.635 -5.194 1.00 1.67 H ATOM 179 HH22 ARG A 10 -5.670 -0.178 -6.391 1.00 2.56 H ATOM 180 N ALA A 11 -2.713 0.277 -1.491 1.00 0.19 N ATOM 181 CA ALA A 11 -2.672 -1.178 -1.635 1.00 0.25 C ATOM 182 C ALA A 11 -2.493 -1.487 -3.115 1.00 0.35 C ATOM 183 O ALA A 11 -2.978 -0.722 -3.946 1.00 0.68 O ATOM 184 CB ALA A 11 -3.941 -1.856 -1.128 1.00 0.53 C ATOM 185 H ALA A 11 -2.317 0.788 -2.257 1.00 0.21 H ATOM 186 HA ALA A 11 -1.823 -1.583 -1.088 1.00 0.35 H ATOM 187 HB1 ALA A 11 -4.811 -1.368 -1.568 1.00 1.27 H ATOM 188 HB2 ALA A 11 -3.915 -2.908 -1.410 1.00 1.63 H ATOM 189 HB3 ALA A 11 -3.987 -1.797 -0.044 1.00 1.48 H ATOM 190 N PHE A 12 -1.843 -2.599 -3.453 1.00 0.47 N ATOM 191 CA PHE A 12 -1.726 -3.007 -4.850 1.00 0.67 C ATOM 192 C PHE A 12 -2.972 -3.741 -5.359 1.00 0.68 C ATOM 193 O PHE A 12 -3.304 -3.616 -6.535 1.00 1.13 O ATOM 194 CB PHE A 12 -0.409 -3.763 -5.068 1.00 1.16 C ATOM 195 CG PHE A 12 -0.146 -4.883 -4.081 1.00 1.49 C ATOM 196 CD1 PHE A 12 -0.876 -6.076 -4.175 1.00 1.95 C ATOM 197 CD2 PHE A 12 0.807 -4.737 -3.057 1.00 3.04 C ATOM 198 CE1 PHE A 12 -0.690 -7.106 -3.243 1.00 2.21 C ATOM 199 CE2 PHE A 12 1.034 -5.788 -2.155 1.00 3.58 C ATOM 200 CZ PHE A 12 0.279 -6.971 -2.238 1.00 2.63 C ATOM 201 H PHE A 12 -1.417 -3.183 -2.745 1.00 0.66 H ATOM 202 HA PHE A 12 -1.689 -2.111 -5.447 1.00 1.00 H ATOM 203 HB2 PHE A 12 -0.395 -4.167 -6.081 1.00 1.22 H ATOM 204 HB3 PHE A 12 0.405 -3.040 -4.998 1.00 1.58 H ATOM 205 HD1 PHE A 12 -1.585 -6.205 -4.973 1.00 3.08 H ATOM 206 HD2 PHE A 12 1.377 -3.831 -2.938 1.00 4.17 H ATOM 207 HE1 PHE A 12 -1.288 -8.002 -3.318 1.00 3.09 H ATOM 208 HE2 PHE A 12 1.786 -5.674 -1.393 1.00 5.05 H ATOM 209 HZ PHE A 12 0.444 -7.776 -1.538 1.00 3.13 H ATOM 210 N TYR A 13 -3.692 -4.381 -4.435 1.00 1.09 N ATOM 211 CA TYR A 13 -4.882 -5.211 -4.617 1.00 1.86 C ATOM 212 C TYR A 13 -4.621 -6.489 -5.417 1.00 3.71 C ATOM 213 O TYR A 13 -5.514 -7.359 -5.349 1.00 4.62 O ATOM 214 CB TYR A 13 -6.047 -4.396 -5.200 1.00 1.40 C ATOM 215 CG TYR A 13 -7.046 -3.813 -4.215 1.00 1.26 C ATOM 216 CD1 TYR A 13 -6.693 -3.548 -2.879 1.00 1.82 C ATOM 217 CD2 TYR A 13 -8.357 -3.551 -4.652 1.00 2.84 C ATOM 218 CE1 TYR A 13 -7.649 -3.042 -1.979 1.00 2.55 C ATOM 219 CE2 TYR A 13 -9.321 -3.045 -3.762 1.00 3.81 C ATOM 220 CZ TYR A 13 -8.969 -2.796 -2.416 1.00 3.34 C ATOM 221 OH TYR A 13 -9.892 -2.325 -1.531 1.00 4.46 O ATOM 222 OXT TYR A 13 -3.542 -6.607 -6.029 1.00 4.65 O ATOM 223 H TYR A 13 -3.280 -4.361 -3.530 1.00 1.34 H ATOM 224 HA TYR A 13 -5.190 -5.580 -3.641 1.00 2.46 H ATOM 225 HB2 TYR A 13 -5.677 -3.597 -5.839 1.00 1.93 H ATOM 226 HB3 TYR A 13 -6.593 -5.073 -5.845 1.00 1.93 H ATOM 227 HD1 TYR A 13 -5.696 -3.757 -2.534 1.00 2.78 H ATOM 228 HD2 TYR A 13 -8.629 -3.760 -5.678 1.00 3.71 H ATOM 229 HE1 TYR A 13 -7.387 -2.858 -0.950 1.00 3.34 H ATOM 230 HE2 TYR A 13 -10.324 -2.866 -4.119 1.00 5.23 H ATOM 231 HH TYR A 13 -10.777 -2.280 -1.897 1.00 5.29 H TER 232 TYR A 13 ENDMDL MODEL 6 ATOM 1 N ARG A 1 -4.428 -3.321 9.462 1.00 6.22 N ATOM 2 CA ARG A 1 -3.335 -3.338 8.469 1.00 5.70 C ATOM 3 C ARG A 1 -3.533 -4.581 7.617 1.00 3.53 C ATOM 4 O ARG A 1 -3.648 -5.657 8.192 1.00 2.97 O ATOM 5 CB ARG A 1 -1.962 -3.359 9.165 1.00 6.85 C ATOM 6 CG ARG A 1 -1.586 -1.973 9.707 1.00 8.86 C ATOM 7 CD ARG A 1 -0.287 -2.020 10.522 1.00 10.23 C ATOM 8 NE ARG A 1 0.090 -0.680 11.001 1.00 11.85 N ATOM 9 CZ ARG A 1 0.932 -0.414 12.009 1.00 13.25 C ATOM 10 NH1 ARG A 1 1.536 -1.405 12.665 1.00 13.41 N ATOM 11 NH2 ARG A 1 1.168 0.851 12.362 1.00 14.70 N ATOM 12 H1 ARG A 1 -4.398 -4.188 9.985 1.00 5.72 H ATOM 13 H2 ARG A 1 -4.335 -2.537 10.090 1.00 7.62 H ATOM 14 H3 ARG A 1 -5.319 -3.273 8.987 1.00 6.00 H ATOM 15 HA ARG A 1 -3.397 -2.457 7.831 1.00 6.48 H ATOM 16 HB2 ARG A 1 -1.980 -4.080 9.985 1.00 7.03 H ATOM 17 HB3 ARG A 1 -1.199 -3.671 8.451 1.00 6.53 H ATOM 18 HG2 ARG A 1 -1.458 -1.289 8.866 1.00 9.12 H ATOM 19 HG3 ARG A 1 -2.386 -1.598 10.347 1.00 9.43 H ATOM 20 HD2 ARG A 1 -0.438 -2.685 11.374 1.00 10.44 H ATOM 21 HD3 ARG A 1 0.517 -2.417 9.899 1.00 10.07 H ATOM 22 HE ARG A 1 -0.325 0.092 10.500 1.00 12.07 H ATOM 23 HH11 ARG A 1 1.381 -2.362 12.389 1.00 12.52 H ATOM 24 HH12 ARG A 1 2.169 -1.235 13.432 1.00 14.59 H ATOM 25 HH21 ARG A 1 0.728 1.623 11.885 1.00 14.87 H ATOM 26 HH22 ARG A 1 1.797 1.079 13.118 1.00 15.80 H ATOM 27 N LYS A 2 -3.664 -4.448 6.294 1.00 3.04 N ATOM 28 CA LYS A 2 -3.869 -5.588 5.407 1.00 1.23 C ATOM 29 C LYS A 2 -3.365 -5.198 4.020 1.00 1.41 C ATOM 30 O LYS A 2 -3.424 -4.018 3.680 1.00 3.28 O ATOM 31 CB LYS A 2 -5.350 -6.011 5.415 1.00 2.47 C ATOM 32 CG LYS A 2 -6.295 -5.039 4.690 1.00 4.44 C ATOM 33 CD LYS A 2 -6.427 -5.353 3.190 1.00 5.98 C ATOM 34 CE LYS A 2 -7.865 -5.732 2.811 1.00 7.59 C ATOM 35 NZ LYS A 2 -8.790 -4.576 2.864 1.00 8.82 N ATOM 36 H LYS A 2 -3.535 -3.561 5.819 1.00 4.34 H ATOM 37 HA LYS A 2 -3.272 -6.420 5.781 1.00 1.34 H ATOM 38 HB2 LYS A 2 -5.446 -7.007 4.981 1.00 3.51 H ATOM 39 HB3 LYS A 2 -5.676 -6.092 6.452 1.00 2.67 H ATOM 40 HG2 LYS A 2 -7.279 -5.117 5.154 1.00 5.11 H ATOM 41 HG3 LYS A 2 -5.942 -4.017 4.825 1.00 4.90 H ATOM 42 HD2 LYS A 2 -6.095 -4.496 2.602 1.00 6.48 H ATOM 43 HD3 LYS A 2 -5.789 -6.199 2.944 1.00 6.03 H ATOM 44 HE2 LYS A 2 -7.861 -6.151 1.802 1.00 8.35 H ATOM 45 HE3 LYS A 2 -8.214 -6.512 3.491 1.00 7.46 H ATOM 46 HZ1 LYS A 2 -9.721 -4.865 2.590 1.00 9.74 H ATOM 47 HZ2 LYS A 2 -8.838 -4.211 3.805 1.00 8.66 H ATOM 48 HZ3 LYS A 2 -8.480 -3.838 2.248 1.00 9.28 H ATOM 49 N ARG A 3 -2.911 -6.173 3.224 1.00 1.01 N ATOM 50 CA ARG A 3 -2.090 -5.965 2.033 1.00 1.06 C ATOM 51 C ARG A 3 -0.860 -5.100 2.347 1.00 0.85 C ATOM 52 O ARG A 3 -0.594 -4.785 3.505 1.00 0.94 O ATOM 53 CB ARG A 3 -2.944 -5.421 0.882 1.00 1.50 C ATOM 54 CG ARG A 3 -3.920 -6.466 0.329 1.00 2.81 C ATOM 55 CD ARG A 3 -4.408 -5.981 -1.036 1.00 3.98 C ATOM 56 NE ARG A 3 -5.516 -6.781 -1.567 1.00 5.36 N ATOM 57 CZ ARG A 3 -6.820 -6.539 -1.391 1.00 5.85 C ATOM 58 NH1 ARG A 3 -7.218 -5.608 -0.521 1.00 5.06 N ATOM 59 NH2 ARG A 3 -7.719 -7.193 -2.117 1.00 7.49 N ATOM 60 H ARG A 3 -2.952 -7.118 3.557 1.00 2.41 H ATOM 61 HA ARG A 3 -1.704 -6.938 1.728 1.00 1.10 H ATOM 62 HB2 ARG A 3 -3.506 -4.557 1.231 1.00 1.21 H ATOM 63 HB3 ARG A 3 -2.296 -5.103 0.070 1.00 2.12 H ATOM 64 HG2 ARG A 3 -3.421 -7.427 0.213 1.00 4.09 H ATOM 65 HG3 ARG A 3 -4.762 -6.583 1.005 1.00 2.91 H ATOM 66 HD2 ARG A 3 -4.725 -4.947 -0.959 1.00 3.62 H ATOM 67 HD3 ARG A 3 -3.580 -6.025 -1.742 1.00 5.11 H ATOM 68 HE ARG A 3 -5.280 -7.391 -2.349 1.00 6.32 H ATOM 69 HH11 ARG A 3 -6.518 -5.079 -0.030 1.00 4.21 H ATOM 70 HH12 ARG A 3 -8.179 -5.307 -0.524 1.00 5.73 H ATOM 71 HH21 ARG A 3 -7.354 -7.663 -2.952 1.00 8.40 H ATOM 72 HH22 ARG A 3 -8.716 -7.087 -2.039 1.00 8.04 H ATOM 73 N ILE A 4 -0.063 -4.789 1.322 1.00 0.71 N ATOM 74 CA ILE A 4 1.133 -3.969 1.434 1.00 0.52 C ATOM 75 C ILE A 4 1.096 -2.981 0.285 1.00 0.37 C ATOM 76 O ILE A 4 0.383 -3.193 -0.703 1.00 0.32 O ATOM 77 CB ILE A 4 2.444 -4.786 1.439 1.00 0.64 C ATOM 78 CG1 ILE A 4 2.377 -6.050 2.308 1.00 0.87 C ATOM 79 CG2 ILE A 4 3.605 -3.958 2.002 1.00 0.70 C ATOM 80 CD1 ILE A 4 1.630 -7.171 1.598 1.00 0.97 C ATOM 81 H ILE A 4 -0.316 -5.044 0.380 1.00 0.77 H ATOM 82 HA ILE A 4 1.069 -3.406 2.355 1.00 0.48 H ATOM 83 HB ILE A 4 2.701 -5.067 0.416 1.00 0.65 H ATOM 84 HG12 ILE A 4 3.388 -6.410 2.499 1.00 1.01 H ATOM 85 HG13 ILE A 4 1.902 -5.821 3.262 1.00 0.90 H ATOM 86 HG21 ILE A 4 4.499 -4.578 2.053 1.00 1.65 H ATOM 87 HG22 ILE A 4 3.835 -3.114 1.354 1.00 1.96 H ATOM 88 HG23 ILE A 4 3.359 -3.609 3.005 1.00 1.27 H ATOM 89 HD11 ILE A 4 0.601 -7.188 1.938 1.00 1.05 H ATOM 90 HD12 ILE A 4 1.665 -7.002 0.524 1.00 1.72 H ATOM 91 HD13 ILE A 4 2.099 -8.124 1.833 1.00 1.85 H ATOM 92 N HIS A 5 1.783 -1.856 0.456 1.00 0.33 N ATOM 93 CA HIS A 5 1.825 -0.811 -0.528 1.00 0.23 C ATOM 94 C HIS A 5 3.055 0.062 -0.293 1.00 0.22 C ATOM 95 O HIS A 5 3.829 -0.167 0.634 1.00 0.29 O ATOM 96 CB HIS A 5 0.536 0.005 -0.529 1.00 0.18 C ATOM 97 CG HIS A 5 -0.113 0.219 0.812 1.00 0.31 C ATOM 98 ND1 HIS A 5 -0.302 1.416 1.465 1.00 0.35 N ATOM 99 CD2 HIS A 5 -0.809 -0.738 1.491 1.00 0.44 C ATOM 100 CE1 HIS A 5 -1.143 1.182 2.487 1.00 0.46 C ATOM 101 NE2 HIS A 5 -1.448 -0.125 2.568 1.00 0.52 N ATOM 102 H HIS A 5 2.358 -1.687 1.270 1.00 0.39 H ATOM 103 HA HIS A 5 1.886 -1.291 -1.496 1.00 0.26 H ATOM 104 HB2 HIS A 5 0.721 0.962 -0.994 1.00 0.20 H ATOM 105 HB3 HIS A 5 -0.163 -0.517 -1.177 1.00 0.19 H ATOM 106 HD1 HIS A 5 0.056 2.334 1.215 1.00 0.34 H ATOM 107 HD2 HIS A 5 -0.895 -1.763 1.161 1.00 0.50 H ATOM 108 HE1 HIS A 5 -1.576 1.958 3.102 1.00 0.53 H ATOM 109 N ILE A 6 3.218 1.048 -1.166 1.00 0.18 N ATOM 110 CA ILE A 6 4.274 2.035 -1.165 1.00 0.21 C ATOM 111 C ILE A 6 3.865 3.142 -0.191 1.00 0.16 C ATOM 112 O ILE A 6 2.719 3.170 0.253 1.00 0.17 O ATOM 113 CB ILE A 6 4.465 2.534 -2.609 1.00 0.29 C ATOM 114 CG1 ILE A 6 4.665 1.322 -3.536 1.00 0.37 C ATOM 115 CG2 ILE A 6 5.707 3.429 -2.763 1.00 0.35 C ATOM 116 CD1 ILE A 6 3.368 0.645 -4.019 1.00 0.33 C ATOM 117 H ILE A 6 2.497 1.174 -1.853 1.00 0.17 H ATOM 118 HA ILE A 6 5.202 1.564 -0.842 1.00 0.26 H ATOM 119 HB ILE A 6 3.585 3.093 -2.929 1.00 0.28 H ATOM 120 HG12 ILE A 6 5.200 1.666 -4.414 1.00 0.46 H ATOM 121 HG13 ILE A 6 5.308 0.599 -3.035 1.00 0.40 H ATOM 122 HG21 ILE A 6 6.586 2.933 -2.348 1.00 1.39 H ATOM 123 HG22 ILE A 6 5.891 3.641 -3.818 1.00 1.60 H ATOM 124 HG23 ILE A 6 5.559 4.392 -2.283 1.00 1.71 H ATOM 125 HD11 ILE A 6 2.578 1.386 -4.153 1.00 1.66 H ATOM 126 HD12 ILE A 6 3.555 0.150 -4.972 1.00 1.55 H ATOM 127 HD13 ILE A 6 3.024 -0.113 -3.315 1.00 1.39 H ATOM 128 N GLY A 7 4.789 4.060 0.101 1.00 0.19 N ATOM 129 CA GLY A 7 4.612 5.202 1.001 1.00 0.20 C ATOM 130 C GLY A 7 3.272 5.925 0.819 1.00 0.25 C ATOM 131 O GLY A 7 2.374 5.755 1.637 1.00 0.29 O ATOM 132 H GLY A 7 5.692 3.916 -0.328 1.00 0.25 H ATOM 133 HA2 GLY A 7 4.663 4.840 2.029 1.00 0.22 H ATOM 134 HA3 GLY A 7 5.425 5.911 0.851 1.00 0.23 H ATOM 135 N PRO A 8 3.097 6.719 -0.248 1.00 0.32 N ATOM 136 CA PRO A 8 1.824 7.353 -0.573 1.00 0.40 C ATOM 137 C PRO A 8 0.890 6.385 -1.316 1.00 0.40 C ATOM 138 O PRO A 8 -0.040 6.810 -2.000 1.00 0.64 O ATOM 139 CB PRO A 8 2.217 8.534 -1.466 1.00 0.48 C ATOM 140 CG PRO A 8 3.412 7.980 -2.241 1.00 0.45 C ATOM 141 CD PRO A 8 4.116 7.092 -1.212 1.00 0.35 C ATOM 142 HA PRO A 8 1.326 7.715 0.327 1.00 0.42 H ATOM 143 HB2 PRO A 8 1.413 8.854 -2.129 1.00 0.55 H ATOM 144 HB3 PRO A 8 2.542 9.366 -0.840 1.00 0.50 H ATOM 145 HG2 PRO A 8 3.058 7.370 -3.073 1.00 0.46 H ATOM 146 HG3 PRO A 8 4.064 8.777 -2.598 1.00 0.51 H ATOM 147 HD2 PRO A 8 4.530 6.214 -1.702 1.00 0.35 H ATOM 148 HD3 PRO A 8 4.902 7.657 -0.712 1.00 0.34 H ATOM 149 N GLY A 9 1.139 5.080 -1.216 1.00 0.27 N ATOM 150 CA GLY A 9 0.318 4.053 -1.815 1.00 0.29 C ATOM 151 C GLY A 9 -0.708 3.586 -0.794 1.00 0.31 C ATOM 152 O GLY A 9 -0.722 4.032 0.351 1.00 0.41 O ATOM 153 H GLY A 9 1.791 4.763 -0.517 1.00 0.35 H ATOM 154 HA2 GLY A 9 -0.192 4.446 -2.696 1.00 0.34 H ATOM 155 HA3 GLY A 9 0.951 3.215 -2.104 1.00 0.29 H ATOM 156 N ARG A 10 -1.572 2.661 -1.203 1.00 0.47 N ATOM 157 CA ARG A 10 -2.791 2.355 -0.455 1.00 0.41 C ATOM 158 C ARG A 10 -3.116 0.882 -0.301 1.00 0.41 C ATOM 159 O ARG A 10 -3.768 0.514 0.668 1.00 0.49 O ATOM 160 CB ARG A 10 -3.983 3.108 -1.040 1.00 0.53 C ATOM 161 CG ARG A 10 -3.903 3.535 -2.517 1.00 1.32 C ATOM 162 CD ARG A 10 -3.693 2.411 -3.544 1.00 1.57 C ATOM 163 NE ARG A 10 -4.675 1.325 -3.447 1.00 1.07 N ATOM 164 CZ ARG A 10 -5.923 1.365 -3.922 1.00 1.97 C ATOM 165 NH1 ARG A 10 -6.429 2.498 -4.409 1.00 2.37 N ATOM 166 NH2 ARG A 10 -6.658 0.259 -3.915 1.00 2.83 N ATOM 167 H ARG A 10 -1.446 2.319 -2.138 1.00 0.73 H ATOM 168 HA ARG A 10 -2.663 2.717 0.567 1.00 0.43 H ATOM 169 HB2 ARG A 10 -4.897 2.539 -0.864 1.00 1.05 H ATOM 170 HB3 ARG A 10 -4.050 4.008 -0.445 1.00 0.75 H ATOM 171 HG2 ARG A 10 -4.826 4.063 -2.756 1.00 1.95 H ATOM 172 HG3 ARG A 10 -3.094 4.259 -2.631 1.00 2.36 H ATOM 173 HD2 ARG A 10 -3.729 2.840 -4.547 1.00 2.40 H ATOM 174 HD3 ARG A 10 -2.704 1.979 -3.428 1.00 2.61 H ATOM 175 HE ARG A 10 -4.317 0.424 -3.144 1.00 0.86 H ATOM 176 HH11 ARG A 10 -5.862 3.330 -4.439 1.00 2.16 H ATOM 177 HH12 ARG A 10 -7.369 2.553 -4.770 1.00 3.14 H ATOM 178 HH21 ARG A 10 -6.275 -0.620 -3.594 1.00 2.81 H ATOM 179 HH22 ARG A 10 -7.601 0.229 -4.270 1.00 3.65 H ATOM 180 N ALA A 11 -2.709 0.072 -1.274 1.00 0.42 N ATOM 181 CA ALA A 11 -2.780 -1.385 -1.300 1.00 0.51 C ATOM 182 C ALA A 11 -2.647 -1.848 -2.739 1.00 0.65 C ATOM 183 O ALA A 11 -3.197 -1.192 -3.621 1.00 1.04 O ATOM 184 CB ALA A 11 -4.108 -1.882 -0.743 1.00 0.77 C ATOM 185 H ALA A 11 -2.304 0.524 -2.071 1.00 0.42 H ATOM 186 HA ALA A 11 -1.967 -1.810 -0.716 1.00 0.44 H ATOM 187 HB1 ALA A 11 -4.081 -1.841 0.347 1.00 2.10 H ATOM 188 HB2 ALA A 11 -4.913 -1.260 -1.143 1.00 1.40 H ATOM 189 HB3 ALA A 11 -4.253 -2.912 -1.043 1.00 1.42 H ATOM 190 N PHE A 12 -1.979 -2.982 -2.963 1.00 0.58 N ATOM 191 CA PHE A 12 -1.859 -3.561 -4.298 1.00 0.74 C ATOM 192 C PHE A 12 -3.206 -3.964 -4.904 1.00 0.98 C ATOM 193 O PHE A 12 -3.367 -3.893 -6.117 1.00 1.21 O ATOM 194 CB PHE A 12 -0.838 -4.710 -4.298 1.00 0.76 C ATOM 195 CG PHE A 12 -1.196 -5.921 -3.452 1.00 0.88 C ATOM 196 CD1 PHE A 12 -2.061 -6.904 -3.964 1.00 2.05 C ATOM 197 CD2 PHE A 12 -0.625 -6.098 -2.177 1.00 1.76 C ATOM 198 CE1 PHE A 12 -2.376 -8.042 -3.202 1.00 2.24 C ATOM 199 CE2 PHE A 12 -0.934 -7.240 -1.415 1.00 1.90 C ATOM 200 CZ PHE A 12 -1.810 -8.212 -1.927 1.00 1.47 C ATOM 201 H PHE A 12 -1.472 -3.427 -2.207 1.00 0.64 H ATOM 202 HA PHE A 12 -1.490 -2.777 -4.939 1.00 0.84 H ATOM 203 HB2 PHE A 12 -0.696 -5.041 -5.327 1.00 0.77 H ATOM 204 HB3 PHE A 12 0.121 -4.316 -3.958 1.00 0.88 H ATOM 205 HD1 PHE A 12 -2.475 -6.801 -4.958 1.00 3.16 H ATOM 206 HD2 PHE A 12 0.081 -5.373 -1.800 1.00 2.88 H ATOM 207 HE1 PHE A 12 -3.038 -8.790 -3.615 1.00 3.42 H ATOM 208 HE2 PHE A 12 -0.479 -7.392 -0.449 1.00 3.00 H ATOM 209 HZ PHE A 12 -2.036 -9.099 -1.351 1.00 1.75 H ATOM 210 N TYR A 13 -4.148 -4.317 -4.028 1.00 1.26 N ATOM 211 CA TYR A 13 -5.467 -4.888 -4.278 1.00 1.87 C ATOM 212 C TYR A 13 -5.388 -6.300 -4.865 1.00 3.76 C ATOM 213 O TYR A 13 -5.989 -7.190 -4.217 1.00 5.11 O ATOM 214 CB TYR A 13 -6.368 -3.913 -5.048 1.00 1.08 C ATOM 215 CG TYR A 13 -7.262 -3.004 -4.210 1.00 1.63 C ATOM 216 CD1 TYR A 13 -6.998 -2.755 -2.846 1.00 2.12 C ATOM 217 CD2 TYR A 13 -8.392 -2.414 -4.808 1.00 3.44 C ATOM 218 CE1 TYR A 13 -7.874 -1.964 -2.082 1.00 3.26 C ATOM 219 CE2 TYR A 13 -9.272 -1.615 -4.054 1.00 4.74 C ATOM 220 CZ TYR A 13 -9.024 -1.402 -2.678 1.00 4.39 C ATOM 221 OH TYR A 13 -9.853 -0.627 -1.926 1.00 5.76 O ATOM 222 OXT TYR A 13 -4.697 -6.500 -5.878 1.00 4.44 O ATOM 223 H TYR A 13 -3.828 -4.277 -3.088 1.00 1.35 H ATOM 224 HA TYR A 13 -5.941 -5.038 -3.319 1.00 2.70 H ATOM 225 HB2 TYR A 13 -5.777 -3.301 -5.729 1.00 1.69 H ATOM 226 HB3 TYR A 13 -7.013 -4.531 -5.661 1.00 1.47 H ATOM 227 HD1 TYR A 13 -6.126 -3.176 -2.377 1.00 2.73 H ATOM 228 HD2 TYR A 13 -8.594 -2.594 -5.855 1.00 4.16 H ATOM 229 HE1 TYR A 13 -7.677 -1.775 -1.036 1.00 3.91 H ATOM 230 HE2 TYR A 13 -10.141 -1.187 -4.534 1.00 6.24 H ATOM 231 HH TYR A 13 -10.640 -0.323 -2.386 1.00 6.71 H TER 232 TYR A 13 ENDMDL MODEL 7 ATOM 1 N ARG A 1 -2.860 -10.079 9.167 1.00 4.03 N ATOM 2 CA ARG A 1 -3.232 -10.166 7.741 1.00 3.85 C ATOM 3 C ARG A 1 -3.756 -8.797 7.339 1.00 2.51 C ATOM 4 O ARG A 1 -4.696 -8.331 7.972 1.00 2.70 O ATOM 5 CB ARG A 1 -4.308 -11.244 7.508 1.00 5.09 C ATOM 6 CG ARG A 1 -3.756 -12.662 7.718 1.00 6.46 C ATOM 7 CD ARG A 1 -4.876 -13.715 7.774 1.00 7.89 C ATOM 8 NE ARG A 1 -4.650 -14.664 8.877 1.00 9.22 N ATOM 9 CZ ARG A 1 -4.948 -14.452 10.168 1.00 10.00 C ATOM 10 NH1 ARG A 1 -5.626 -13.362 10.532 1.00 9.96 N ATOM 11 NH2 ARG A 1 -4.553 -15.322 11.098 1.00 11.26 N ATOM 12 H1 ARG A 1 -3.673 -9.780 9.692 1.00 3.95 H ATOM 13 H2 ARG A 1 -2.535 -10.970 9.510 1.00 4.91 H ATOM 14 H3 ARG A 1 -2.134 -9.387 9.288 1.00 3.95 H ATOM 15 HA ARG A 1 -2.352 -10.405 7.141 1.00 4.47 H ATOM 16 HB2 ARG A 1 -5.135 -11.071 8.198 1.00 5.28 H ATOM 17 HB3 ARG A 1 -4.688 -11.164 6.488 1.00 5.36 H ATOM 18 HG2 ARG A 1 -3.072 -12.909 6.905 1.00 6.87 H ATOM 19 HG3 ARG A 1 -3.195 -12.694 8.651 1.00 6.47 H ATOM 20 HD2 ARG A 1 -5.845 -13.232 7.895 1.00 7.94 H ATOM 21 HD3 ARG A 1 -4.896 -14.262 6.830 1.00 8.25 H ATOM 22 HE ARG A 1 -4.196 -15.528 8.610 1.00 9.84 H ATOM 23 HH11 ARG A 1 -6.023 -12.760 9.830 1.00 9.32 H ATOM 24 HH12 ARG A 1 -5.875 -13.188 11.495 1.00 10.94 H ATOM 25 HH21 ARG A 1 -4.037 -16.156 10.851 1.00 11.68 H ATOM 26 HH22 ARG A 1 -4.761 -15.188 12.076 1.00 12.04 H ATOM 27 N LYS A 2 -3.129 -8.127 6.371 1.00 1.84 N ATOM 28 CA LYS A 2 -3.589 -6.843 5.850 1.00 0.71 C ATOM 29 C LYS A 2 -3.016 -6.681 4.438 1.00 0.81 C ATOM 30 O LYS A 2 -2.328 -7.585 3.967 1.00 1.91 O ATOM 31 CB LYS A 2 -3.191 -5.690 6.794 1.00 1.52 C ATOM 32 CG LYS A 2 -1.669 -5.478 6.922 1.00 3.12 C ATOM 33 CD LYS A 2 -1.277 -3.999 6.768 1.00 4.42 C ATOM 34 CE LYS A 2 -1.373 -3.196 8.069 1.00 5.64 C ATOM 35 NZ LYS A 2 -0.064 -3.088 8.750 1.00 7.10 N ATOM 36 H LYS A 2 -2.379 -8.550 5.836 1.00 2.64 H ATOM 37 HA LYS A 2 -4.678 -6.873 5.779 1.00 1.10 H ATOM 38 HB2 LYS A 2 -3.666 -4.780 6.428 1.00 2.00 H ATOM 39 HB3 LYS A 2 -3.606 -5.877 7.786 1.00 2.36 H ATOM 40 HG2 LYS A 2 -1.325 -5.854 7.887 1.00 3.50 H ATOM 41 HG3 LYS A 2 -1.154 -6.045 6.147 1.00 3.90 H ATOM 42 HD2 LYS A 2 -0.261 -3.941 6.373 1.00 5.17 H ATOM 43 HD3 LYS A 2 -1.931 -3.527 6.038 1.00 4.47 H ATOM 44 HE2 LYS A 2 -1.719 -2.190 7.819 1.00 6.27 H ATOM 45 HE3 LYS A 2 -2.111 -3.657 8.729 1.00 5.41 H ATOM 46 HZ1 LYS A 2 -0.153 -2.524 9.585 1.00 7.59 H ATOM 47 HZ2 LYS A 2 0.280 -4.004 9.004 1.00 7.36 H ATOM 48 HZ3 LYS A 2 0.607 -2.644 8.136 1.00 7.86 H ATOM 49 N ARG A 3 -3.284 -5.563 3.761 1.00 0.52 N ATOM 50 CA ARG A 3 -2.671 -5.284 2.466 1.00 0.46 C ATOM 51 C ARG A 3 -1.383 -4.502 2.707 1.00 0.41 C ATOM 52 O ARG A 3 -1.167 -4.023 3.815 1.00 0.59 O ATOM 53 CB ARG A 3 -3.631 -4.505 1.553 1.00 0.61 C ATOM 54 CG ARG A 3 -4.838 -5.330 1.096 1.00 1.87 C ATOM 55 CD ARG A 3 -5.959 -5.405 2.133 1.00 2.28 C ATOM 56 NE ARG A 3 -6.562 -4.089 2.393 1.00 3.14 N ATOM 57 CZ ARG A 3 -7.706 -3.884 3.060 1.00 3.86 C ATOM 58 NH1 ARG A 3 -8.345 -4.908 3.627 1.00 3.72 N ATOM 59 NH2 ARG A 3 -8.207 -2.652 3.164 1.00 5.20 N ATOM 60 H ARG A 3 -3.764 -4.805 4.222 1.00 1.37 H ATOM 61 HA ARG A 3 -2.412 -6.228 1.984 1.00 0.44 H ATOM 62 HB2 ARG A 3 -3.952 -3.585 2.043 1.00 1.05 H ATOM 63 HB3 ARG A 3 -3.090 -4.232 0.653 1.00 1.38 H ATOM 64 HG2 ARG A 3 -5.241 -4.888 0.184 1.00 2.78 H ATOM 65 HG3 ARG A 3 -4.511 -6.342 0.858 1.00 2.74 H ATOM 66 HD2 ARG A 3 -6.717 -6.083 1.747 1.00 2.87 H ATOM 67 HD3 ARG A 3 -5.570 -5.820 3.056 1.00 2.83 H ATOM 68 HE ARG A 3 -6.099 -3.305 1.958 1.00 3.72 H ATOM 69 HH11 ARG A 3 -7.997 -5.843 3.489 1.00 3.42 H ATOM 70 HH12 ARG A 3 -9.215 -4.793 4.122 1.00 4.39 H ATOM 71 HH21 ARG A 3 -7.740 -1.857 2.752 1.00 5.84 H ATOM 72 HH22 ARG A 3 -9.080 -2.476 3.640 1.00 5.82 H ATOM 73 N ILE A 4 -0.523 -4.368 1.695 1.00 0.31 N ATOM 74 CA ILE A 4 0.718 -3.616 1.819 1.00 0.37 C ATOM 75 C ILE A 4 0.842 -2.738 0.592 1.00 0.29 C ATOM 76 O ILE A 4 0.248 -3.033 -0.447 1.00 0.24 O ATOM 77 CB ILE A 4 1.965 -4.505 2.016 1.00 0.55 C ATOM 78 CG1 ILE A 4 1.752 -5.661 3.002 1.00 0.80 C ATOM 79 CG2 ILE A 4 3.124 -3.684 2.596 1.00 0.69 C ATOM 80 CD1 ILE A 4 1.010 -6.821 2.351 1.00 0.88 C ATOM 81 H ILE A 4 -0.749 -4.704 0.770 1.00 0.34 H ATOM 82 HA ILE A 4 0.629 -2.964 2.677 1.00 0.46 H ATOM 83 HB ILE A 4 2.284 -4.904 1.052 1.00 0.55 H ATOM 84 HG12 ILE A 4 2.721 -6.042 3.322 1.00 0.97 H ATOM 85 HG13 ILE A 4 1.208 -5.306 3.879 1.00 0.83 H ATOM 86 HG21 ILE A 4 3.430 -2.897 1.911 1.00 1.57 H ATOM 87 HG22 ILE A 4 2.831 -3.256 3.554 1.00 1.60 H ATOM 88 HG23 ILE A 4 3.985 -4.335 2.747 1.00 1.04 H ATOM 89 HD11 ILE A 4 -0.056 -6.697 2.504 1.00 1.44 H ATOM 90 HD12 ILE A 4 1.234 -6.839 1.287 1.00 1.35 H ATOM 91 HD13 ILE A 4 1.326 -7.755 2.810 1.00 1.76 H ATOM 92 N HIS A 5 1.531 -1.612 0.746 1.00 0.30 N ATOM 93 CA HIS A 5 1.718 -0.659 -0.314 1.00 0.23 C ATOM 94 C HIS A 5 2.959 0.184 -0.026 1.00 0.27 C ATOM 95 O HIS A 5 3.624 0.010 0.993 1.00 0.36 O ATOM 96 CB HIS A 5 0.475 0.203 -0.517 1.00 0.19 C ATOM 97 CG HIS A 5 -0.305 0.546 0.723 1.00 0.37 C ATOM 98 ND1 HIS A 5 -0.522 1.800 1.251 1.00 0.53 N ATOM 99 CD2 HIS A 5 -1.106 -0.330 1.397 1.00 0.45 C ATOM 100 CE1 HIS A 5 -1.478 1.676 2.186 1.00 0.66 C ATOM 101 NE2 HIS A 5 -1.836 0.389 2.341 1.00 0.60 N ATOM 102 H HIS A 5 2.015 -1.381 1.603 1.00 0.37 H ATOM 103 HA HIS A 5 1.855 -1.225 -1.226 1.00 0.25 H ATOM 104 HB2 HIS A 5 0.751 1.113 -1.027 1.00 0.22 H ATOM 105 HB3 HIS A 5 -0.176 -0.341 -1.197 1.00 0.15 H ATOM 106 HD1 HIS A 5 -0.108 2.683 0.966 1.00 0.56 H ATOM 107 HD2 HIS A 5 -1.200 -1.376 1.140 1.00 0.45 H ATOM 108 HE1 HIS A 5 -1.953 2.516 2.674 1.00 0.84 H ATOM 109 N ILE A 6 3.258 1.077 -0.962 1.00 0.25 N ATOM 110 CA ILE A 6 4.363 2.011 -0.948 1.00 0.28 C ATOM 111 C ILE A 6 3.929 3.224 -0.123 1.00 0.23 C ATOM 112 O ILE A 6 2.748 3.355 0.197 1.00 0.22 O ATOM 113 CB ILE A 6 4.710 2.365 -2.406 1.00 0.35 C ATOM 114 CG1 ILE A 6 4.930 1.065 -3.200 1.00 0.44 C ATOM 115 CG2 ILE A 6 6.004 3.190 -2.522 1.00 0.43 C ATOM 116 CD1 ILE A 6 3.650 0.428 -3.777 1.00 0.40 C ATOM 117 H ILE A 6 2.612 1.171 -1.725 1.00 0.23 H ATOM 118 HA ILE A 6 5.228 1.532 -0.494 1.00 0.36 H ATOM 119 HB ILE A 6 3.893 2.932 -2.856 1.00 0.34 H ATOM 120 HG12 ILE A 6 5.582 1.294 -4.034 1.00 0.55 H ATOM 121 HG13 ILE A 6 5.460 0.352 -2.569 1.00 0.47 H ATOM 122 HG21 ILE A 6 6.283 3.304 -3.571 1.00 1.38 H ATOM 123 HG22 ILE A 6 5.863 4.194 -2.134 1.00 1.56 H ATOM 124 HG23 ILE A 6 6.819 2.692 -1.994 1.00 1.83 H ATOM 125 HD11 ILE A 6 3.142 -0.200 -3.044 1.00 1.63 H ATOM 126 HD12 ILE A 6 2.961 1.201 -4.117 1.00 1.51 H ATOM 127 HD13 ILE A 6 3.917 -0.205 -4.623 1.00 1.64 H ATOM 128 N GLY A 7 4.879 4.110 0.187 1.00 0.25 N ATOM 129 CA GLY A 7 4.688 5.341 0.956 1.00 0.27 C ATOM 130 C GLY A 7 3.416 6.104 0.572 1.00 0.30 C ATOM 131 O GLY A 7 2.425 6.037 1.291 1.00 0.37 O ATOM 132 H GLY A 7 5.808 3.880 -0.135 1.00 0.30 H ATOM 133 HA2 GLY A 7 4.622 5.081 2.013 1.00 0.34 H ATOM 134 HA3 GLY A 7 5.551 5.991 0.819 1.00 0.27 H ATOM 135 N PRO A 8 3.399 6.816 -0.564 1.00 0.34 N ATOM 136 CA PRO A 8 2.203 7.478 -1.074 1.00 0.44 C ATOM 137 C PRO A 8 1.321 6.488 -1.851 1.00 0.52 C ATOM 138 O PRO A 8 0.642 6.865 -2.803 1.00 0.89 O ATOM 139 CB PRO A 8 2.758 8.572 -1.992 1.00 0.50 C ATOM 140 CG PRO A 8 3.979 7.886 -2.604 1.00 0.45 C ATOM 141 CD PRO A 8 4.534 7.079 -1.428 1.00 0.35 C ATOM 142 HA PRO A 8 1.624 7.923 -0.265 1.00 0.48 H ATOM 143 HB2 PRO A 8 2.046 8.900 -2.750 1.00 0.60 H ATOM 144 HB3 PRO A 8 3.081 9.421 -1.389 1.00 0.50 H ATOM 145 HG2 PRO A 8 3.661 7.209 -3.399 1.00 0.48 H ATOM 146 HG3 PRO A 8 4.704 8.608 -2.980 1.00 0.50 H ATOM 147 HD2 PRO A 8 4.980 6.154 -1.787 1.00 0.37 H ATOM 148 HD3 PRO A 8 5.272 7.673 -0.888 1.00 0.33 H ATOM 149 N GLY A 9 1.340 5.209 -1.476 1.00 0.28 N ATOM 150 CA GLY A 9 0.560 4.164 -2.107 1.00 0.32 C ATOM 151 C GLY A 9 -0.604 3.816 -1.193 1.00 0.34 C ATOM 152 O GLY A 9 -0.712 4.330 -0.082 1.00 0.59 O ATOM 153 H GLY A 9 1.770 4.958 -0.596 1.00 0.38 H ATOM 154 HA2 GLY A 9 0.184 4.500 -3.074 1.00 0.45 H ATOM 155 HA3 GLY A 9 1.191 3.287 -2.247 1.00 0.32 H ATOM 156 N ARG A 10 -1.481 2.920 -1.646 1.00 0.40 N ATOM 157 CA ARG A 10 -2.779 2.718 -0.999 1.00 0.49 C ATOM 158 C ARG A 10 -3.165 1.276 -0.736 1.00 0.34 C ATOM 159 O ARG A 10 -3.907 1.018 0.203 1.00 0.50 O ATOM 160 CB ARG A 10 -3.891 3.436 -1.760 1.00 0.85 C ATOM 161 CG ARG A 10 -3.680 3.699 -3.261 1.00 1.74 C ATOM 162 CD ARG A 10 -3.411 2.483 -4.167 1.00 1.92 C ATOM 163 NE ARG A 10 -4.425 1.414 -4.117 1.00 1.01 N ATOM 164 CZ ARG A 10 -5.600 1.430 -4.756 1.00 1.63 C ATOM 165 NH1 ARG A 10 -6.112 2.576 -5.207 1.00 2.16 N ATOM 166 NH2 ARG A 10 -6.258 0.295 -4.962 1.00 2.23 N ATOM 167 H ARG A 10 -1.288 2.509 -2.542 1.00 0.67 H ATOM 168 HA ARG A 10 -2.739 3.174 -0.009 1.00 0.59 H ATOM 169 HB2 ARG A 10 -4.835 2.916 -1.600 1.00 1.38 H ATOM 170 HB3 ARG A 10 -3.972 4.398 -1.273 1.00 0.49 H ATOM 171 HG2 ARG A 10 -4.558 4.229 -3.627 1.00 2.37 H ATOM 172 HG3 ARG A 10 -2.842 4.387 -3.374 1.00 2.70 H ATOM 173 HD2 ARG A 10 -3.328 2.834 -5.197 1.00 2.88 H ATOM 174 HD3 ARG A 10 -2.450 2.045 -3.912 1.00 2.83 H ATOM 175 HE ARG A 10 -4.111 0.517 -3.757 1.00 0.70 H ATOM 176 HH11 ARG A 10 -5.594 3.433 -5.104 1.00 2.16 H ATOM 177 HH12 ARG A 10 -6.988 2.603 -5.704 1.00 2.80 H ATOM 178 HH21 ARG A 10 -5.726 -0.578 -5.022 1.00 1.94 H ATOM 179 HH22 ARG A 10 -7.148 0.252 -5.429 1.00 2.96 H ATOM 180 N ALA A 11 -2.702 0.372 -1.591 1.00 0.18 N ATOM 181 CA ALA A 11 -2.834 -1.077 -1.516 1.00 0.28 C ATOM 182 C ALA A 11 -2.557 -1.641 -2.894 1.00 0.44 C ATOM 183 O ALA A 11 -2.664 -0.914 -3.879 1.00 0.58 O ATOM 184 CB ALA A 11 -4.228 -1.493 -1.060 1.00 0.50 C ATOM 185 H ALA A 11 -2.218 0.735 -2.391 1.00 0.23 H ATOM 186 HA ALA A 11 -2.099 -1.481 -0.824 1.00 0.31 H ATOM 187 HB1 ALA A 11 -4.312 -1.335 0.016 1.00 1.77 H ATOM 188 HB2 ALA A 11 -4.960 -0.897 -1.611 1.00 1.56 H ATOM 189 HB3 ALA A 11 -4.384 -2.553 -1.257 1.00 1.21 H ATOM 190 N PHE A 12 -2.237 -2.933 -2.952 1.00 0.64 N ATOM 191 CA PHE A 12 -1.965 -3.631 -4.198 1.00 0.85 C ATOM 192 C PHE A 12 -3.205 -4.034 -4.990 1.00 0.95 C ATOM 193 O PHE A 12 -3.075 -4.576 -6.081 1.00 1.28 O ATOM 194 CB PHE A 12 -1.111 -4.860 -3.895 1.00 1.08 C ATOM 195 CG PHE A 12 -1.670 -5.804 -2.844 1.00 1.22 C ATOM 196 CD1 PHE A 12 -2.825 -6.565 -3.111 1.00 2.30 C ATOM 197 CD2 PHE A 12 -1.015 -5.947 -1.605 1.00 2.30 C ATOM 198 CE1 PHE A 12 -3.336 -7.441 -2.139 1.00 2.46 C ATOM 199 CE2 PHE A 12 -1.514 -6.843 -0.644 1.00 2.48 C ATOM 200 CZ PHE A 12 -2.677 -7.584 -0.907 1.00 1.75 C ATOM 201 H PHE A 12 -2.111 -3.452 -2.096 1.00 0.70 H ATOM 202 HA PHE A 12 -1.422 -2.952 -4.843 1.00 0.91 H ATOM 203 HB2 PHE A 12 -0.984 -5.412 -4.822 1.00 1.20 H ATOM 204 HB3 PHE A 12 -0.137 -4.503 -3.570 1.00 1.16 H ATOM 205 HD1 PHE A 12 -3.318 -6.499 -4.070 1.00 3.57 H ATOM 206 HD2 PHE A 12 -0.109 -5.392 -1.407 1.00 3.54 H ATOM 207 HE1 PHE A 12 -4.220 -8.023 -2.356 1.00 3.73 H ATOM 208 HE2 PHE A 12 -0.987 -6.991 0.286 1.00 3.76 H ATOM 209 HZ PHE A 12 -3.055 -8.282 -0.173 1.00 2.01 H ATOM 210 N TYR A 13 -4.382 -3.809 -4.416 1.00 0.95 N ATOM 211 CA TYR A 13 -5.652 -3.952 -5.115 1.00 1.22 C ATOM 212 C TYR A 13 -5.609 -3.148 -6.408 1.00 1.99 C ATOM 213 O TYR A 13 -5.954 -3.718 -7.462 1.00 2.41 O ATOM 214 CB TYR A 13 -6.807 -3.383 -4.295 1.00 1.32 C ATOM 215 CG TYR A 13 -7.118 -4.023 -2.968 1.00 1.48 C ATOM 216 CD1 TYR A 13 -7.501 -5.370 -2.911 1.00 2.46 C ATOM 217 CD2 TYR A 13 -7.195 -3.211 -1.825 1.00 2.70 C ATOM 218 CE1 TYR A 13 -8.032 -5.898 -1.721 1.00 2.96 C ATOM 219 CE2 TYR A 13 -7.738 -3.724 -0.637 1.00 3.07 C ATOM 220 CZ TYR A 13 -8.182 -5.065 -0.587 1.00 2.63 C ATOM 221 OH TYR A 13 -8.773 -5.535 0.547 1.00 3.29 O ATOM 222 OXT TYR A 13 -5.327 -1.933 -6.270 1.00 2.73 O ATOM 223 H TYR A 13 -4.326 -3.427 -3.495 1.00 0.99 H ATOM 224 HA TYR A 13 -5.835 -5.003 -5.343 1.00 1.47 H ATOM 225 HB2 TYR A 13 -6.626 -2.322 -4.136 1.00 1.56 H ATOM 226 HB3 TYR A 13 -7.709 -3.458 -4.907 1.00 1.57 H ATOM 227 HD1 TYR A 13 -7.431 -5.978 -3.802 1.00 3.57 H ATOM 228 HD2 TYR A 13 -6.891 -2.178 -1.893 1.00 3.91 H ATOM 229 HE1 TYR A 13 -8.354 -6.928 -1.712 1.00 4.24 H ATOM 230 HE2 TYR A 13 -7.868 -3.076 0.214 1.00 4.34 H ATOM 231 HH TYR A 13 -9.305 -6.317 0.380 1.00 3.80 H TER 232 TYR A 13 ENDMDL MODEL 8 ATOM 1 N ARG A 1 -4.402 -11.510 7.496 1.00 5.18 N ATOM 2 CA ARG A 1 -3.359 -10.653 6.897 1.00 4.31 C ATOM 3 C ARG A 1 -3.995 -9.345 6.443 1.00 3.04 C ATOM 4 O ARG A 1 -5.221 -9.268 6.335 1.00 3.51 O ATOM 5 CB ARG A 1 -2.638 -11.341 5.724 1.00 5.20 C ATOM 6 CG ARG A 1 -1.528 -12.277 6.215 1.00 6.27 C ATOM 7 CD ARG A 1 -0.744 -12.841 5.021 1.00 7.30 C ATOM 8 NE ARG A 1 0.368 -13.701 5.456 1.00 8.52 N ATOM 9 CZ ARG A 1 0.278 -14.984 5.833 1.00 9.61 C ATOM 10 NH1 ARG A 1 -0.900 -15.608 5.819 1.00 9.81 N ATOM 11 NH2 ARG A 1 1.368 -15.641 6.229 1.00 10.78 N ATOM 12 H1 ARG A 1 -5.126 -11.676 6.810 1.00 5.50 H ATOM 13 H2 ARG A 1 -4.011 -12.386 7.812 1.00 6.02 H ATOM 14 H3 ARG A 1 -4.824 -11.025 8.277 1.00 4.93 H ATOM 15 HA ARG A 1 -2.621 -10.411 7.663 1.00 4.38 H ATOM 16 HB2 ARG A 1 -3.357 -11.898 5.121 1.00 5.81 H ATOM 17 HB3 ARG A 1 -2.177 -10.583 5.089 1.00 4.89 H ATOM 18 HG2 ARG A 1 -0.842 -11.715 6.851 1.00 6.10 H ATOM 19 HG3 ARG A 1 -1.959 -13.093 6.794 1.00 6.88 H ATOM 20 HD2 ARG A 1 -1.415 -13.399 4.367 1.00 7.87 H ATOM 21 HD3 ARG A 1 -0.331 -12.009 4.448 1.00 6.90 H ATOM 22 HE ARG A 1 1.277 -13.258 5.441 1.00 8.73 H ATOM 23 HH11 ARG A 1 -1.717 -15.136 5.469 1.00 9.16 H ATOM 24 HH12 ARG A 1 -0.997 -16.573 6.099 1.00 10.80 H ATOM 25 HH21 ARG A 1 2.275 -15.197 6.242 1.00 10.94 H ATOM 26 HH22 ARG A 1 1.329 -16.609 6.517 1.00 11.70 H ATOM 27 N LYS A 2 -3.170 -8.334 6.175 1.00 2.02 N ATOM 28 CA LYS A 2 -3.600 -7.021 5.722 1.00 0.86 C ATOM 29 C LYS A 2 -2.920 -6.734 4.389 1.00 0.87 C ATOM 30 O LYS A 2 -2.170 -7.572 3.893 1.00 1.95 O ATOM 31 CB LYS A 2 -3.289 -5.972 6.805 1.00 1.50 C ATOM 32 CG LYS A 2 -4.277 -6.105 7.976 1.00 2.47 C ATOM 33 CD LYS A 2 -4.925 -4.759 8.324 1.00 3.58 C ATOM 34 CE LYS A 2 -6.184 -4.990 9.169 1.00 4.79 C ATOM 35 NZ LYS A 2 -7.007 -3.765 9.277 1.00 6.14 N ATOM 36 H LYS A 2 -2.169 -8.482 6.152 1.00 2.57 H ATOM 37 HA LYS A 2 -4.673 -7.033 5.538 1.00 1.21 H ATOM 38 HB2 LYS A 2 -2.266 -6.100 7.164 1.00 2.61 H ATOM 39 HB3 LYS A 2 -3.364 -4.973 6.375 1.00 2.19 H ATOM 40 HG2 LYS A 2 -5.071 -6.802 7.705 1.00 2.72 H ATOM 41 HG3 LYS A 2 -3.763 -6.506 8.852 1.00 3.36 H ATOM 42 HD2 LYS A 2 -4.211 -4.138 8.869 1.00 4.00 H ATOM 43 HD3 LYS A 2 -5.211 -4.252 7.403 1.00 3.87 H ATOM 44 HE2 LYS A 2 -6.778 -5.775 8.696 1.00 5.03 H ATOM 45 HE3 LYS A 2 -5.892 -5.333 10.164 1.00 5.04 H ATOM 46 HZ1 LYS A 2 -7.273 -3.438 8.358 1.00 6.55 H ATOM 47 HZ2 LYS A 2 -7.849 -3.958 9.804 1.00 6.96 H ATOM 48 HZ3 LYS A 2 -6.491 -3.033 9.747 1.00 6.42 H ATOM 49 N ARG A 3 -3.239 -5.593 3.778 1.00 0.51 N ATOM 50 CA ARG A 3 -2.686 -5.206 2.492 1.00 0.47 C ATOM 51 C ARG A 3 -1.428 -4.395 2.767 1.00 0.46 C ATOM 52 O ARG A 3 -1.257 -3.899 3.877 1.00 0.67 O ATOM 53 CB ARG A 3 -3.711 -4.407 1.667 1.00 0.62 C ATOM 54 CG ARG A 3 -4.780 -5.320 1.050 1.00 1.87 C ATOM 55 CD ARG A 3 -5.847 -5.794 2.049 1.00 2.43 C ATOM 56 NE ARG A 3 -6.228 -7.194 1.800 1.00 4.22 N ATOM 57 CZ ARG A 3 -6.574 -8.088 2.737 1.00 5.28 C ATOM 58 NH1 ARG A 3 -6.765 -7.702 4.000 1.00 4.87 N ATOM 59 NH2 ARG A 3 -6.719 -9.374 2.414 1.00 7.14 N ATOM 60 H ARG A 3 -3.743 -4.884 4.287 1.00 1.34 H ATOM 61 HA ARG A 3 -2.400 -6.102 1.942 1.00 0.47 H ATOM 62 HB2 ARG A 3 -4.178 -3.634 2.281 1.00 1.21 H ATOM 63 HB3 ARG A 3 -3.184 -3.916 0.847 1.00 1.39 H ATOM 64 HG2 ARG A 3 -5.276 -4.783 0.243 1.00 2.75 H ATOM 65 HG3 ARG A 3 -4.281 -6.182 0.610 1.00 2.69 H ATOM 66 HD2 ARG A 3 -5.473 -5.698 3.061 1.00 2.85 H ATOM 67 HD3 ARG A 3 -6.720 -5.149 1.969 1.00 2.61 H ATOM 68 HE ARG A 3 -6.176 -7.481 0.833 1.00 4.99 H ATOM 69 HH11 ARG A 3 -6.829 -6.717 4.199 1.00 3.91 H ATOM 70 HH12 ARG A 3 -6.910 -8.360 4.755 1.00 5.89 H ATOM 71 HH21 ARG A 3 -6.575 -9.690 1.465 1.00 7.84 H ATOM 72 HH22 ARG A 3 -7.031 -10.055 3.088 1.00 8.02 H ATOM 73 N ILE A 4 -0.551 -4.278 1.771 1.00 0.37 N ATOM 74 CA ILE A 4 0.694 -3.545 1.897 1.00 0.45 C ATOM 75 C ILE A 4 0.827 -2.693 0.654 1.00 0.34 C ATOM 76 O ILE A 4 0.243 -3.007 -0.384 1.00 0.28 O ATOM 77 CB ILE A 4 1.930 -4.446 2.104 1.00 0.64 C ATOM 78 CG1 ILE A 4 1.694 -5.609 3.077 1.00 0.87 C ATOM 79 CG2 ILE A 4 3.083 -3.633 2.701 1.00 0.78 C ATOM 80 CD1 ILE A 4 0.961 -6.758 2.398 1.00 0.93 C ATOM 81 H ILE A 4 -0.761 -4.636 0.850 1.00 0.36 H ATOM 82 HA ILE A 4 0.605 -2.884 2.747 1.00 0.54 H ATOM 83 HB ILE A 4 2.258 -4.840 1.141 1.00 0.63 H ATOM 84 HG12 ILE A 4 2.655 -5.998 3.412 1.00 1.05 H ATOM 85 HG13 ILE A 4 1.134 -5.262 3.945 1.00 0.90 H ATOM 86 HG21 ILE A 4 3.401 -2.846 2.020 1.00 1.60 H ATOM 87 HG22 ILE A 4 2.777 -3.200 3.654 1.00 1.70 H ATOM 88 HG23 ILE A 4 3.939 -4.287 2.868 1.00 1.04 H ATOM 89 HD11 ILE A 4 1.246 -6.797 1.349 1.00 1.45 H ATOM 90 HD12 ILE A 4 1.223 -7.694 2.887 1.00 2.23 H ATOM 91 HD13 ILE A 4 -0.106 -6.602 2.486 1.00 2.00 H ATOM 92 N HIS A 5 1.518 -1.568 0.792 1.00 0.35 N ATOM 93 CA HIS A 5 1.709 -0.637 -0.285 1.00 0.26 C ATOM 94 C HIS A 5 2.955 0.198 -0.010 1.00 0.29 C ATOM 95 O HIS A 5 3.624 0.027 1.006 1.00 0.38 O ATOM 96 CB HIS A 5 0.469 0.229 -0.501 1.00 0.21 C ATOM 97 CG HIS A 5 -0.315 0.587 0.732 1.00 0.40 C ATOM 98 ND1 HIS A 5 -0.531 1.847 1.244 1.00 0.57 N ATOM 99 CD2 HIS A 5 -1.122 -0.280 1.411 1.00 0.49 C ATOM 100 CE1 HIS A 5 -1.490 1.736 2.179 1.00 0.71 C ATOM 101 NE2 HIS A 5 -1.854 0.453 2.344 1.00 0.65 N ATOM 102 H HIS A 5 1.996 -1.322 1.648 1.00 0.44 H ATOM 103 HA HIS A 5 1.841 -1.219 -1.188 1.00 0.27 H ATOM 104 HB2 HIS A 5 0.752 1.133 -1.019 1.00 0.22 H ATOM 105 HB3 HIS A 5 -0.179 -0.319 -1.179 1.00 0.16 H ATOM 106 HD1 HIS A 5 -0.113 2.726 0.953 1.00 0.59 H ATOM 107 HD2 HIS A 5 -1.220 -1.327 1.167 1.00 0.50 H ATOM 108 HE1 HIS A 5 -1.965 2.581 2.659 1.00 0.89 H ATOM 109 N ILE A 6 3.256 1.079 -0.955 1.00 0.25 N ATOM 110 CA ILE A 6 4.367 2.003 -0.941 1.00 0.29 C ATOM 111 C ILE A 6 3.934 3.222 -0.124 1.00 0.23 C ATOM 112 O ILE A 6 2.755 3.355 0.196 1.00 0.22 O ATOM 113 CB ILE A 6 4.723 2.341 -2.400 1.00 0.37 C ATOM 114 CG1 ILE A 6 4.938 1.031 -3.178 1.00 0.46 C ATOM 115 CG2 ILE A 6 6.025 3.153 -2.513 1.00 0.45 C ATOM 116 CD1 ILE A 6 3.656 0.377 -3.731 1.00 0.44 C ATOM 117 H ILE A 6 2.611 1.171 -1.718 1.00 0.23 H ATOM 118 HA ILE A 6 5.226 1.520 -0.480 1.00 0.37 H ATOM 119 HB ILE A 6 3.912 2.908 -2.861 1.00 0.35 H ATOM 120 HG12 ILE A 6 5.580 1.252 -4.023 1.00 0.56 H ATOM 121 HG13 ILE A 6 5.478 0.330 -2.542 1.00 0.50 H ATOM 122 HG21 ILE A 6 5.888 4.163 -2.140 1.00 1.38 H ATOM 123 HG22 ILE A 6 6.829 2.656 -1.970 1.00 1.65 H ATOM 124 HG23 ILE A 6 6.316 3.250 -3.560 1.00 1.31 H ATOM 125 HD11 ILE A 6 2.941 1.141 -4.036 1.00 1.41 H ATOM 126 HD12 ILE A 6 3.911 -0.236 -4.594 1.00 1.57 H ATOM 127 HD13 ILE A 6 3.183 -0.272 -2.993 1.00 1.66 H ATOM 128 N GLY A 7 4.882 4.111 0.179 1.00 0.25 N ATOM 129 CA GLY A 7 4.687 5.344 0.945 1.00 0.27 C ATOM 130 C GLY A 7 3.417 6.109 0.555 1.00 0.31 C ATOM 131 O GLY A 7 2.431 6.063 1.283 1.00 0.39 O ATOM 132 H GLY A 7 5.812 3.877 -0.139 1.00 0.30 H ATOM 133 HA2 GLY A 7 4.614 5.084 2.002 1.00 0.34 H ATOM 134 HA3 GLY A 7 5.551 5.993 0.814 1.00 0.27 H ATOM 135 N PRO A 8 3.397 6.802 -0.593 1.00 0.34 N ATOM 136 CA PRO A 8 2.206 7.467 -1.109 1.00 0.46 C ATOM 137 C PRO A 8 1.298 6.480 -1.861 1.00 0.51 C ATOM 138 O PRO A 8 0.522 6.878 -2.726 1.00 0.78 O ATOM 139 CB PRO A 8 2.762 8.537 -2.052 1.00 0.53 C ATOM 140 CG PRO A 8 3.985 7.842 -2.649 1.00 0.47 C ATOM 141 CD PRO A 8 4.532 7.035 -1.469 1.00 0.35 C ATOM 142 HA PRO A 8 1.640 7.936 -0.302 1.00 0.52 H ATOM 143 HB2 PRO A 8 2.051 8.845 -2.819 1.00 0.63 H ATOM 144 HB3 PRO A 8 3.083 9.402 -1.469 1.00 0.54 H ATOM 145 HG2 PRO A 8 3.671 7.165 -3.444 1.00 0.50 H ATOM 146 HG3 PRO A 8 4.716 8.559 -3.021 1.00 0.52 H ATOM 147 HD2 PRO A 8 4.953 6.098 -1.823 1.00 0.34 H ATOM 148 HD3 PRO A 8 5.286 7.619 -0.940 1.00 0.33 H ATOM 149 N GLY A 9 1.403 5.185 -1.565 1.00 0.34 N ATOM 150 CA GLY A 9 0.597 4.147 -2.168 1.00 0.36 C ATOM 151 C GLY A 9 -0.565 3.829 -1.239 1.00 0.39 C ATOM 152 O GLY A 9 -0.664 4.366 -0.139 1.00 0.64 O ATOM 153 H GLY A 9 1.913 4.914 -0.738 1.00 0.36 H ATOM 154 HA2 GLY A 9 0.215 4.480 -3.135 1.00 0.50 H ATOM 155 HA3 GLY A 9 1.209 3.258 -2.306 1.00 0.33 H ATOM 156 N ARG A 10 -1.448 2.929 -1.669 1.00 0.43 N ATOM 157 CA ARG A 10 -2.750 2.750 -1.025 1.00 0.53 C ATOM 158 C ARG A 10 -3.152 1.316 -0.745 1.00 0.37 C ATOM 159 O ARG A 10 -3.905 1.079 0.190 1.00 0.55 O ATOM 160 CB ARG A 10 -3.850 3.465 -1.804 1.00 0.90 C ATOM 161 CG ARG A 10 -3.623 3.710 -3.306 1.00 1.80 C ATOM 162 CD ARG A 10 -3.352 2.481 -4.193 1.00 1.97 C ATOM 163 NE ARG A 10 -4.372 1.421 -4.129 1.00 1.02 N ATOM 164 CZ ARG A 10 -5.554 1.440 -4.755 1.00 1.62 C ATOM 165 NH1 ARG A 10 -6.036 2.576 -5.260 1.00 2.15 N ATOM 166 NH2 ARG A 10 -6.248 0.317 -4.893 1.00 2.23 N ATOM 167 H ARG A 10 -1.254 2.496 -2.555 1.00 0.70 H ATOM 168 HA ARG A 10 -2.709 3.220 -0.041 1.00 0.63 H ATOM 169 HB2 ARG A 10 -4.799 2.953 -1.647 1.00 1.42 H ATOM 170 HB3 ARG A 10 -3.932 4.432 -1.327 1.00 0.54 H ATOM 171 HG2 ARG A 10 -4.496 4.237 -3.686 1.00 2.42 H ATOM 172 HG3 ARG A 10 -2.781 4.395 -3.419 1.00 2.76 H ATOM 173 HD2 ARG A 10 -3.262 2.816 -5.227 1.00 2.93 H ATOM 174 HD3 ARG A 10 -2.395 2.042 -3.927 1.00 2.87 H ATOM 175 HE ARG A 10 -4.067 0.528 -3.749 1.00 0.70 H ATOM 176 HH11 ARG A 10 -5.491 3.420 -5.207 1.00 2.18 H ATOM 177 HH12 ARG A 10 -6.916 2.604 -5.751 1.00 2.77 H ATOM 178 HH21 ARG A 10 -5.742 -0.572 -4.899 1.00 1.96 H ATOM 179 HH22 ARG A 10 -7.139 0.273 -5.358 1.00 2.97 H ATOM 180 N ALA A 11 -2.689 0.395 -1.581 1.00 0.18 N ATOM 181 CA ALA A 11 -2.830 -1.052 -1.487 1.00 0.30 C ATOM 182 C ALA A 11 -2.545 -1.635 -2.856 1.00 0.45 C ATOM 183 O ALA A 11 -2.627 -0.915 -3.848 1.00 0.58 O ATOM 184 CB ALA A 11 -4.232 -1.453 -1.040 1.00 0.52 C ATOM 185 H ALA A 11 -2.194 0.741 -2.382 1.00 0.23 H ATOM 186 HA ALA A 11 -2.105 -1.453 -0.784 1.00 0.34 H ATOM 187 HB1 ALA A 11 -4.954 -0.864 -1.610 1.00 1.45 H ATOM 188 HB2 ALA A 11 -4.390 -2.516 -1.219 1.00 1.32 H ATOM 189 HB3 ALA A 11 -4.331 -1.276 0.031 1.00 1.61 H ATOM 190 N PHE A 12 -2.252 -2.934 -2.900 1.00 0.67 N ATOM 191 CA PHE A 12 -2.026 -3.652 -4.144 1.00 0.91 C ATOM 192 C PHE A 12 -3.296 -4.090 -4.861 1.00 1.08 C ATOM 193 O PHE A 12 -3.217 -4.667 -5.941 1.00 1.43 O ATOM 194 CB PHE A 12 -1.136 -4.858 -3.864 1.00 1.11 C ATOM 195 CG PHE A 12 -1.664 -5.842 -2.833 1.00 1.23 C ATOM 196 CD1 PHE A 12 -2.752 -6.680 -3.143 1.00 2.18 C ATOM 197 CD2 PHE A 12 -1.042 -5.948 -1.575 1.00 2.03 C ATOM 198 CE1 PHE A 12 -3.229 -7.602 -2.197 1.00 2.34 C ATOM 199 CE2 PHE A 12 -1.506 -6.887 -0.636 1.00 2.20 C ATOM 200 CZ PHE A 12 -2.603 -7.710 -0.944 1.00 1.72 C ATOM 201 H PHE A 12 -2.138 -3.449 -2.038 1.00 0.75 H ATOM 202 HA PHE A 12 -1.527 -2.976 -4.828 1.00 0.97 H ATOM 203 HB2 PHE A 12 -0.997 -5.388 -4.801 1.00 1.20 H ATOM 204 HB3 PHE A 12 -0.173 -4.480 -3.533 1.00 1.18 H ATOM 205 HD1 PHE A 12 -3.217 -6.637 -4.118 1.00 3.24 H ATOM 206 HD2 PHE A 12 -0.184 -5.334 -1.344 1.00 3.06 H ATOM 207 HE1 PHE A 12 -4.060 -8.244 -2.450 1.00 3.42 H ATOM 208 HE2 PHE A 12 -1.003 -7.001 0.311 1.00 3.26 H ATOM 209 HZ PHE A 12 -2.951 -8.439 -0.227 1.00 1.95 H ATOM 210 N TYR A 13 -4.445 -3.849 -4.240 1.00 1.07 N ATOM 211 CA TYR A 13 -5.744 -3.960 -4.891 1.00 1.34 C ATOM 212 C TYR A 13 -5.718 -3.173 -6.194 1.00 2.04 C ATOM 213 O TYR A 13 -6.148 -3.733 -7.222 1.00 2.43 O ATOM 214 CB TYR A 13 -6.843 -3.339 -4.031 1.00 1.49 C ATOM 215 CG TYR A 13 -7.156 -3.978 -2.702 1.00 1.65 C ATOM 216 CD1 TYR A 13 -7.560 -5.320 -2.644 1.00 2.36 C ATOM 217 CD2 TYR A 13 -7.210 -3.170 -1.555 1.00 2.51 C ATOM 218 CE1 TYR A 13 -8.094 -5.839 -1.451 1.00 2.87 C ATOM 219 CE2 TYR A 13 -7.756 -3.672 -0.362 1.00 2.92 C ATOM 220 CZ TYR A 13 -8.231 -5.004 -0.319 1.00 2.75 C ATOM 221 OH TYR A 13 -8.831 -5.483 0.807 1.00 3.40 O ATOM 222 OXT TYR A 13 -5.360 -1.976 -6.088 1.00 2.75 O ATOM 223 H TYR A 13 -4.347 -3.442 -3.334 1.00 1.07 H ATOM 224 HA TYR A 13 -5.969 -5.005 -5.103 1.00 1.57 H ATOM 225 HB2 TYR A 13 -6.599 -2.291 -3.868 1.00 1.71 H ATOM 226 HB3 TYR A 13 -7.764 -3.358 -4.618 1.00 1.76 H ATOM 227 HD1 TYR A 13 -7.507 -5.925 -3.538 1.00 3.10 H ATOM 228 HD2 TYR A 13 -6.879 -2.144 -1.621 1.00 3.35 H ATOM 229 HE1 TYR A 13 -8.457 -6.854 -1.427 1.00 3.84 H ATOM 230 HE2 TYR A 13 -7.834 -3.021 0.496 1.00 3.87 H ATOM 231 HH TYR A 13 -9.263 -4.788 1.311 1.00 3.97 H TER 232 TYR A 13 ENDMDL MODEL 9 ATOM 1 N ARG A 1 -0.971 -8.562 8.884 1.00 4.31 N ATOM 2 CA ARG A 1 -0.398 -8.376 7.534 1.00 4.15 C ATOM 3 C ARG A 1 -1.263 -7.471 6.667 1.00 3.10 C ATOM 4 O ARG A 1 -0.731 -6.479 6.192 1.00 4.35 O ATOM 5 CB ARG A 1 -0.047 -9.713 6.859 1.00 5.00 C ATOM 6 CG ARG A 1 1.446 -10.032 7.048 1.00 6.32 C ATOM 7 CD ARG A 1 1.706 -11.544 7.014 1.00 7.24 C ATOM 8 NE ARG A 1 3.143 -11.850 6.902 1.00 8.59 N ATOM 9 CZ ARG A 1 3.720 -13.024 7.199 1.00 9.74 C ATOM 10 NH1 ARG A 1 3.002 -14.015 7.728 1.00 9.89 N ATOM 11 NH2 ARG A 1 5.020 -13.208 6.962 1.00 11.02 N ATOM 12 H1 ARG A 1 -1.823 -9.100 8.832 1.00 4.17 H ATOM 13 H2 ARG A 1 -0.311 -9.050 9.473 1.00 5.13 H ATOM 14 H3 ARG A 1 -1.173 -7.660 9.295 1.00 4.12 H ATOM 15 HA ARG A 1 0.523 -7.809 7.649 1.00 4.70 H ATOM 16 HB2 ARG A 1 -0.658 -10.510 7.284 1.00 5.22 H ATOM 17 HB3 ARG A 1 -0.252 -9.657 5.787 1.00 4.89 H ATOM 18 HG2 ARG A 1 2.010 -9.543 6.251 1.00 6.61 H ATOM 19 HG3 ARG A 1 1.791 -9.643 8.007 1.00 6.73 H ATOM 20 HD2 ARG A 1 1.307 -11.977 7.932 1.00 7.47 H ATOM 21 HD3 ARG A 1 1.188 -11.981 6.160 1.00 7.02 H ATOM 22 HE ARG A 1 3.714 -11.114 6.509 1.00 8.84 H ATOM 23 HH11 ARG A 1 2.019 -13.892 7.906 1.00 9.17 H ATOM 24 HH12 ARG A 1 3.413 -14.907 7.964 1.00 10.90 H ATOM 25 HH21 ARG A 1 5.588 -12.483 6.548 1.00 11.24 H ATOM 26 HH22 ARG A 1 5.476 -14.084 7.167 1.00 11.94 H ATOM 27 N LYS A 2 -2.566 -7.749 6.517 1.00 1.74 N ATOM 28 CA LYS A 2 -3.484 -6.944 5.707 1.00 0.82 C ATOM 29 C LYS A 2 -2.913 -6.686 4.306 1.00 0.87 C ATOM 30 O LYS A 2 -2.175 -7.518 3.785 1.00 1.95 O ATOM 31 CB LYS A 2 -3.964 -5.691 6.473 1.00 1.41 C ATOM 32 CG LYS A 2 -2.901 -4.615 6.753 1.00 2.74 C ATOM 33 CD LYS A 2 -3.485 -3.205 6.933 1.00 3.86 C ATOM 34 CE LYS A 2 -3.652 -2.527 5.565 1.00 5.62 C ATOM 35 NZ LYS A 2 -3.788 -1.056 5.650 1.00 7.03 N ATOM 36 H LYS A 2 -2.940 -8.623 6.851 1.00 2.57 H ATOM 37 HA LYS A 2 -4.371 -7.557 5.547 1.00 1.37 H ATOM 38 HB2 LYS A 2 -4.788 -5.244 5.919 1.00 2.32 H ATOM 39 HB3 LYS A 2 -4.358 -6.021 7.435 1.00 2.22 H ATOM 40 HG2 LYS A 2 -2.367 -4.892 7.663 1.00 3.11 H ATOM 41 HG3 LYS A 2 -2.186 -4.569 5.938 1.00 3.63 H ATOM 42 HD2 LYS A 2 -4.439 -3.256 7.462 1.00 3.95 H ATOM 43 HD3 LYS A 2 -2.779 -2.626 7.530 1.00 4.45 H ATOM 44 HE2 LYS A 2 -2.760 -2.738 4.976 1.00 6.28 H ATOM 45 HE3 LYS A 2 -4.516 -2.949 5.051 1.00 5.88 H ATOM 46 HZ1 LYS A 2 -4.637 -0.799 6.133 1.00 7.31 H ATOM 47 HZ2 LYS A 2 -2.993 -0.663 6.136 1.00 7.47 H ATOM 48 HZ3 LYS A 2 -3.798 -0.660 4.716 1.00 7.74 H ATOM 49 N ARG A 3 -3.324 -5.595 3.654 1.00 0.56 N ATOM 50 CA ARG A 3 -2.778 -5.194 2.364 1.00 0.53 C ATOM 51 C ARG A 3 -1.543 -4.349 2.634 1.00 0.54 C ATOM 52 O ARG A 3 -1.475 -3.688 3.666 1.00 0.91 O ATOM 53 CB ARG A 3 -3.808 -4.395 1.547 1.00 0.67 C ATOM 54 CG ARG A 3 -4.733 -5.322 0.750 1.00 1.96 C ATOM 55 CD ARG A 3 -5.772 -6.046 1.616 1.00 2.56 C ATOM 56 NE ARG A 3 -6.032 -7.405 1.119 1.00 4.44 N ATOM 57 CZ ARG A 3 -6.895 -8.266 1.669 1.00 5.47 C ATOM 58 NH1 ARG A 3 -7.761 -7.844 2.590 1.00 4.86 N ATOM 59 NH2 ARG A 3 -6.884 -9.549 1.303 1.00 7.38 N ATOM 60 H ARG A 3 -3.886 -4.921 4.143 1.00 1.37 H ATOM 61 HA ARG A 3 -2.473 -6.082 1.810 1.00 0.53 H ATOM 62 HB2 ARG A 3 -4.391 -3.737 2.194 1.00 1.26 H ATOM 63 HB3 ARG A 3 -3.273 -3.773 0.827 1.00 1.44 H ATOM 64 HG2 ARG A 3 -5.255 -4.735 -0.004 1.00 2.86 H ATOM 65 HG3 ARG A 3 -4.117 -6.048 0.226 1.00 2.76 H ATOM 66 HD2 ARG A 3 -5.418 -6.130 2.638 1.00 2.91 H ATOM 67 HD3 ARG A 3 -6.686 -5.458 1.633 1.00 2.69 H ATOM 68 HE ARG A 3 -5.438 -7.711 0.361 1.00 5.22 H ATOM 69 HH11 ARG A 3 -7.843 -6.853 2.764 1.00 3.80 H ATOM 70 HH12 ARG A 3 -8.412 -8.463 3.049 1.00 5.72 H ATOM 71 HH21 ARG A 3 -6.226 -9.890 0.616 1.00 8.15 H ATOM 72 HH22 ARG A 3 -7.520 -10.223 1.705 1.00 8.22 H ATOM 73 N ILE A 4 -0.591 -4.341 1.705 1.00 0.34 N ATOM 74 CA ILE A 4 0.656 -3.616 1.863 1.00 0.41 C ATOM 75 C ILE A 4 0.803 -2.739 0.640 1.00 0.32 C ATOM 76 O ILE A 4 0.241 -3.039 -0.416 1.00 0.25 O ATOM 77 CB ILE A 4 1.872 -4.540 2.078 1.00 0.59 C ATOM 78 CG1 ILE A 4 1.621 -5.657 3.104 1.00 0.87 C ATOM 79 CG2 ILE A 4 3.061 -3.734 2.616 1.00 0.68 C ATOM 80 CD1 ILE A 4 0.904 -6.845 2.476 1.00 0.97 C ATOM 81 H ILE A 4 -0.725 -4.805 0.818 1.00 0.35 H ATOM 82 HA ILE A 4 0.565 -2.969 2.725 1.00 0.51 H ATOM 83 HB ILE A 4 2.164 -4.982 1.124 1.00 0.59 H ATOM 84 HG12 ILE A 4 2.576 -6.025 3.478 1.00 1.08 H ATOM 85 HG13 ILE A 4 1.043 -5.273 3.946 1.00 0.90 H ATOM 86 HG21 ILE A 4 3.374 -2.974 1.902 1.00 1.53 H ATOM 87 HG22 ILE A 4 2.794 -3.267 3.564 1.00 1.61 H ATOM 88 HG23 ILE A 4 3.909 -4.401 2.776 1.00 1.02 H ATOM 89 HD11 ILE A 4 1.014 -7.716 3.119 1.00 1.97 H ATOM 90 HD12 ILE A 4 -0.148 -6.619 2.372 1.00 1.98 H ATOM 91 HD13 ILE A 4 1.337 -7.052 1.498 1.00 1.38 H ATOM 92 N HIS A 5 1.473 -1.606 0.811 1.00 0.36 N ATOM 93 CA HIS A 5 1.667 -0.656 -0.249 1.00 0.27 C ATOM 94 C HIS A 5 2.912 0.174 0.039 1.00 0.32 C ATOM 95 O HIS A 5 3.567 0.006 1.066 1.00 0.43 O ATOM 96 CB HIS A 5 0.427 0.210 -0.461 1.00 0.20 C ATOM 97 CG HIS A 5 -0.377 0.545 0.770 1.00 0.37 C ATOM 98 ND1 HIS A 5 -0.613 1.798 1.289 1.00 0.53 N ATOM 99 CD2 HIS A 5 -1.190 -0.332 1.429 1.00 0.45 C ATOM 100 CE1 HIS A 5 -1.586 1.672 2.207 1.00 0.67 C ATOM 101 NE2 HIS A 5 -1.939 0.383 2.369 1.00 0.61 N ATOM 102 H HIS A 5 1.944 -1.371 1.675 1.00 0.45 H ATOM 103 HA HIS A 5 1.803 -1.226 -1.159 1.00 0.28 H ATOM 104 HB2 HIS A 5 0.718 1.123 -0.958 1.00 0.18 H ATOM 105 HB3 HIS A 5 -0.211 -0.325 -1.159 1.00 0.17 H ATOM 106 HD1 HIS A 5 -0.204 2.682 1.000 1.00 0.55 H ATOM 107 HD2 HIS A 5 -1.283 -1.373 1.157 1.00 0.46 H ATOM 108 HE1 HIS A 5 -2.081 2.517 2.668 1.00 0.87 H ATOM 109 N ILE A 6 3.230 1.049 -0.906 1.00 0.27 N ATOM 110 CA ILE A 6 4.342 1.970 -0.888 1.00 0.31 C ATOM 111 C ILE A 6 3.910 3.188 -0.070 1.00 0.24 C ATOM 112 O ILE A 6 2.726 3.330 0.232 1.00 0.21 O ATOM 113 CB ILE A 6 4.705 2.316 -2.344 1.00 0.39 C ATOM 114 CG1 ILE A 6 4.911 1.010 -3.132 1.00 0.48 C ATOM 115 CG2 ILE A 6 6.013 3.120 -2.448 1.00 0.49 C ATOM 116 CD1 ILE A 6 3.627 0.392 -3.719 1.00 0.42 C ATOM 117 H ILE A 6 2.589 1.144 -1.674 1.00 0.23 H ATOM 118 HA ILE A 6 5.200 1.484 -0.424 1.00 0.41 H ATOM 119 HB ILE A 6 3.901 2.895 -2.801 1.00 0.37 H ATOM 120 HG12 ILE A 6 5.575 1.227 -3.960 1.00 0.60 H ATOM 121 HG13 ILE A 6 5.423 0.292 -2.492 1.00 0.53 H ATOM 122 HG21 ILE A 6 6.302 3.232 -3.494 1.00 1.35 H ATOM 123 HG22 ILE A 6 5.886 4.125 -2.058 1.00 1.55 H ATOM 124 HG23 ILE A 6 6.816 2.608 -1.916 1.00 1.90 H ATOM 125 HD11 ILE A 6 3.893 -0.255 -4.555 1.00 1.48 H ATOM 126 HD12 ILE A 6 3.093 -0.217 -2.988 1.00 1.55 H ATOM 127 HD13 ILE A 6 2.959 1.176 -4.077 1.00 1.36 H ATOM 128 N GLY A 7 4.864 4.061 0.254 1.00 0.27 N ATOM 129 CA GLY A 7 4.672 5.293 1.022 1.00 0.25 C ATOM 130 C GLY A 7 3.412 6.063 0.617 1.00 0.26 C ATOM 131 O GLY A 7 2.408 6.005 1.320 1.00 0.34 O ATOM 132 H GLY A 7 5.795 3.820 -0.055 1.00 0.34 H ATOM 133 HA2 GLY A 7 4.586 5.033 2.077 1.00 0.33 H ATOM 134 HA3 GLY A 7 5.543 5.936 0.900 1.00 0.27 H ATOM 135 N PRO A 8 3.418 6.774 -0.521 1.00 0.31 N ATOM 136 CA PRO A 8 2.237 7.445 -1.052 1.00 0.44 C ATOM 137 C PRO A 8 1.360 6.462 -1.845 1.00 0.53 C ATOM 138 O PRO A 8 0.712 6.844 -2.816 1.00 0.93 O ATOM 139 CB PRO A 8 2.819 8.533 -1.961 1.00 0.52 C ATOM 140 CG PRO A 8 4.043 7.834 -2.552 1.00 0.48 C ATOM 141 CD PRO A 8 4.571 7.025 -1.365 1.00 0.36 C ATOM 142 HA PRO A 8 1.648 7.896 -0.253 1.00 0.47 H ATOM 143 HB2 PRO A 8 2.123 8.869 -2.730 1.00 0.63 H ATOM 144 HB3 PRO A 8 3.141 9.379 -1.352 1.00 0.50 H ATOM 145 HG2 PRO A 8 3.729 7.158 -3.350 1.00 0.52 H ATOM 146 HG3 PRO A 8 4.781 8.548 -2.919 1.00 0.54 H ATOM 147 HD2 PRO A 8 5.016 6.096 -1.714 1.00 0.40 H ATOM 148 HD3 PRO A 8 5.302 7.616 -0.814 1.00 0.33 H ATOM 149 N GLY A 9 1.349 5.186 -1.460 1.00 0.27 N ATOM 150 CA GLY A 9 0.575 4.149 -2.108 1.00 0.32 C ATOM 151 C GLY A 9 -0.606 3.802 -1.215 1.00 0.35 C ATOM 152 O GLY A 9 -0.723 4.303 -0.098 1.00 0.58 O ATOM 153 H GLY A 9 1.757 4.933 -0.570 1.00 0.37 H ATOM 154 HA2 GLY A 9 0.215 4.490 -3.080 1.00 0.48 H ATOM 155 HA3 GLY A 9 1.202 3.268 -2.243 1.00 0.33 H ATOM 156 N ARG A 10 -1.487 2.921 -1.690 1.00 0.42 N ATOM 157 CA ARG A 10 -2.792 2.719 -1.058 1.00 0.53 C ATOM 158 C ARG A 10 -3.168 1.278 -0.784 1.00 0.37 C ATOM 159 O ARG A 10 -3.889 1.021 0.172 1.00 0.51 O ATOM 160 CB ARG A 10 -3.902 3.421 -1.835 1.00 0.91 C ATOM 161 CG ARG A 10 -3.682 3.678 -3.337 1.00 1.78 C ATOM 162 CD ARG A 10 -3.397 2.460 -4.236 1.00 1.97 C ATOM 163 NE ARG A 10 -4.412 1.394 -4.206 1.00 1.05 N ATOM 164 CZ ARG A 10 -5.567 1.403 -4.884 1.00 1.63 C ATOM 165 NH1 ARG A 10 -6.063 2.545 -5.359 1.00 2.17 N ATOM 166 NH2 ARG A 10 -6.218 0.265 -5.106 1.00 2.20 N ATOM 167 H ARG A 10 -1.290 2.522 -2.591 1.00 0.68 H ATOM 168 HA ARG A 10 -2.767 3.185 -0.072 1.00 0.64 H ATOM 169 HB2 ARG A 10 -4.843 2.893 -1.679 1.00 1.45 H ATOM 170 HB3 ARG A 10 -4.000 4.384 -1.353 1.00 0.54 H ATOM 171 HG2 ARG A 10 -4.562 4.199 -3.712 1.00 2.40 H ATOM 172 HG3 ARG A 10 -2.848 4.372 -3.445 1.00 2.72 H ATOM 173 HD2 ARG A 10 -3.294 2.811 -5.264 1.00 2.93 H ATOM 174 HD3 ARG A 10 -2.441 2.023 -3.963 1.00 2.86 H ATOM 175 HE ARG A 10 -4.110 0.498 -3.831 1.00 0.73 H ATOM 176 HH11 ARG A 10 -5.555 3.404 -5.235 1.00 2.19 H ATOM 177 HH12 ARG A 10 -6.923 2.569 -5.884 1.00 2.78 H ATOM 178 HH21 ARG A 10 -5.700 -0.618 -5.112 1.00 1.93 H ATOM 179 HH22 ARG A 10 -7.085 0.216 -5.613 1.00 2.90 H ATOM 180 N ALA A 11 -2.720 0.371 -1.643 1.00 0.20 N ATOM 181 CA ALA A 11 -2.856 -1.077 -1.553 1.00 0.26 C ATOM 182 C ALA A 11 -2.569 -1.655 -2.925 1.00 0.44 C ATOM 183 O ALA A 11 -2.668 -0.934 -3.916 1.00 0.58 O ATOM 184 CB ALA A 11 -4.258 -1.484 -1.115 1.00 0.47 C ATOM 185 H ALA A 11 -2.241 0.725 -2.452 1.00 0.26 H ATOM 186 HA ALA A 11 -2.130 -1.476 -0.849 1.00 0.30 H ATOM 187 HB1 ALA A 11 -4.364 -1.314 -0.042 1.00 1.72 H ATOM 188 HB2 ALA A 11 -4.981 -0.897 -1.685 1.00 1.58 H ATOM 189 HB3 ALA A 11 -4.410 -2.547 -1.299 1.00 1.21 H ATOM 190 N PHE A 12 -2.257 -2.948 -2.973 1.00 0.64 N ATOM 191 CA PHE A 12 -1.991 -3.650 -4.218 1.00 0.86 C ATOM 192 C PHE A 12 -3.236 -4.099 -4.975 1.00 1.00 C ATOM 193 O PHE A 12 -3.115 -4.668 -6.054 1.00 1.35 O ATOM 194 CB PHE A 12 -1.092 -4.846 -3.926 1.00 1.05 C ATOM 195 CG PHE A 12 -1.620 -5.849 -2.914 1.00 1.17 C ATOM 196 CD1 PHE A 12 -2.696 -6.695 -3.246 1.00 2.27 C ATOM 197 CD2 PHE A 12 -1.000 -5.978 -1.657 1.00 2.26 C ATOM 198 CE1 PHE A 12 -3.157 -7.651 -2.326 1.00 2.40 C ATOM 199 CE2 PHE A 12 -1.447 -6.949 -0.744 1.00 2.41 C ATOM 200 CZ PHE A 12 -2.526 -7.786 -1.077 1.00 1.63 C ATOM 201 H PHE A 12 -2.134 -3.464 -2.114 1.00 0.71 H ATOM 202 HA PHE A 12 -1.481 -2.960 -4.882 1.00 0.93 H ATOM 203 HB2 PHE A 12 -0.923 -5.365 -4.865 1.00 1.13 H ATOM 204 HB3 PHE A 12 -0.141 -4.455 -3.575 1.00 1.14 H ATOM 205 HD1 PHE A 12 -3.160 -6.637 -4.221 1.00 3.55 H ATOM 206 HD2 PHE A 12 -0.149 -5.357 -1.410 1.00 3.53 H ATOM 207 HE1 PHE A 12 -3.975 -8.302 -2.600 1.00 3.68 H ATOM 208 HE2 PHE A 12 -0.942 -7.083 0.200 1.00 3.71 H ATOM 209 HZ PHE A 12 -2.855 -8.545 -0.383 1.00 1.85 H ATOM 210 N TYR A 13 -4.407 -3.881 -4.387 1.00 0.98 N ATOM 211 CA TYR A 13 -5.688 -4.038 -5.066 1.00 1.25 C ATOM 212 C TYR A 13 -5.656 -3.270 -6.381 1.00 1.98 C ATOM 213 O TYR A 13 -6.014 -3.868 -7.414 1.00 2.40 O ATOM 214 CB TYR A 13 -6.833 -3.442 -4.247 1.00 1.35 C ATOM 215 CG TYR A 13 -7.181 -4.098 -2.934 1.00 1.52 C ATOM 216 CD1 TYR A 13 -7.668 -5.415 -2.918 1.00 2.37 C ATOM 217 CD2 TYR A 13 -7.180 -3.330 -1.760 1.00 2.34 C ATOM 218 CE1 TYR A 13 -8.210 -5.950 -1.737 1.00 2.89 C ATOM 219 CE2 TYR A 13 -7.724 -3.853 -0.573 1.00 2.76 C ATOM 220 CZ TYR A 13 -8.266 -5.158 -0.565 1.00 2.68 C ATOM 221 OH TYR A 13 -8.847 -5.642 0.569 1.00 3.34 O ATOM 222 OXT TYR A 13 -5.362 -2.055 -6.282 1.00 2.69 O ATOM 223 H TYR A 13 -4.339 -3.475 -3.477 1.00 1.00 H ATOM 224 HA TYR A 13 -5.878 -5.093 -5.267 1.00 1.51 H ATOM 225 HB2 TYR A 13 -6.618 -2.389 -4.070 1.00 1.58 H ATOM 226 HB3 TYR A 13 -7.729 -3.478 -4.869 1.00 1.59 H ATOM 227 HD1 TYR A 13 -7.662 -5.990 -3.833 1.00 3.16 H ATOM 228 HD2 TYR A 13 -6.803 -2.319 -1.796 1.00 3.18 H ATOM 229 HE1 TYR A 13 -8.609 -6.952 -1.756 1.00 3.90 H ATOM 230 HE2 TYR A 13 -7.768 -3.240 0.315 1.00 3.70 H ATOM 231 HH TYR A 13 -9.552 -6.263 0.370 1.00 3.85 H TER 232 TYR A 13 ENDMDL MODEL 10 ATOM 1 N ARG A 1 -3.057 -11.365 5.225 1.00 6.10 N ATOM 2 CA ARG A 1 -3.119 -10.595 6.485 1.00 4.38 C ATOM 3 C ARG A 1 -2.918 -9.125 6.140 1.00 3.01 C ATOM 4 O ARG A 1 -1.821 -8.771 5.729 1.00 3.98 O ATOM 5 CB ARG A 1 -2.040 -11.050 7.488 1.00 4.78 C ATOM 6 CG ARG A 1 -2.448 -12.312 8.263 1.00 6.07 C ATOM 7 CD ARG A 1 -1.323 -12.805 9.188 1.00 7.04 C ATOM 8 NE ARG A 1 -1.009 -11.853 10.267 1.00 7.61 N ATOM 9 CZ ARG A 1 -0.006 -11.994 11.146 1.00 8.73 C ATOM 10 NH1 ARG A 1 0.804 -13.050 11.078 1.00 9.39 N ATOM 11 NH2 ARG A 1 0.188 -11.078 12.096 1.00 9.56 N ATOM 12 H1 ARG A 1 -2.161 -11.203 4.786 1.00 6.42 H ATOM 13 H2 ARG A 1 -3.180 -12.350 5.402 1.00 7.02 H ATOM 14 H3 ARG A 1 -3.778 -11.041 4.592 1.00 6.67 H ATOM 15 HA ARG A 1 -4.100 -10.718 6.942 1.00 4.95 H ATOM 16 HB2 ARG A 1 -1.106 -11.236 6.956 1.00 5.35 H ATOM 17 HB3 ARG A 1 -1.868 -10.249 8.207 1.00 4.71 H ATOM 18 HG2 ARG A 1 -3.339 -12.103 8.858 1.00 6.50 H ATOM 19 HG3 ARG A 1 -2.685 -13.108 7.557 1.00 6.74 H ATOM 20 HD2 ARG A 1 -1.634 -13.750 9.637 1.00 7.68 H ATOM 21 HD3 ARG A 1 -0.428 -12.983 8.590 1.00 7.22 H ATOM 22 HE ARG A 1 -1.628 -11.062 10.356 1.00 7.50 H ATOM 23 HH11 ARG A 1 0.659 -13.755 10.372 1.00 9.14 H ATOM 24 HH12 ARG A 1 1.567 -13.188 11.725 1.00 10.41 H ATOM 25 HH21 ARG A 1 -0.410 -10.270 12.183 1.00 9.46 H ATOM 26 HH22 ARG A 1 0.938 -11.167 12.767 1.00 10.54 H ATOM 27 N LYS A 2 -3.957 -8.293 6.295 1.00 2.09 N ATOM 28 CA LYS A 2 -3.955 -6.907 5.822 1.00 0.83 C ATOM 29 C LYS A 2 -3.462 -6.831 4.367 1.00 1.00 C ATOM 30 O LYS A 2 -3.645 -7.786 3.613 1.00 2.32 O ATOM 31 CB LYS A 2 -3.172 -6.010 6.801 1.00 1.55 C ATOM 32 CG LYS A 2 -3.794 -5.960 8.207 1.00 2.47 C ATOM 33 CD LYS A 2 -4.001 -4.494 8.620 1.00 3.56 C ATOM 34 CE LYS A 2 -4.465 -4.330 10.071 1.00 4.87 C ATOM 35 NZ LYS A 2 -3.393 -4.648 11.041 1.00 6.13 N ATOM 36 H LYS A 2 -4.841 -8.649 6.625 1.00 3.32 H ATOM 37 HA LYS A 2 -4.988 -6.560 5.808 1.00 1.27 H ATOM 38 HB2 LYS A 2 -2.138 -6.354 6.873 1.00 2.70 H ATOM 39 HB3 LYS A 2 -3.158 -4.992 6.416 1.00 2.25 H ATOM 40 HG2 LYS A 2 -4.759 -6.468 8.214 1.00 2.58 H ATOM 41 HG3 LYS A 2 -3.128 -6.458 8.911 1.00 3.38 H ATOM 42 HD2 LYS A 2 -3.073 -3.936 8.477 1.00 3.92 H ATOM 43 HD3 LYS A 2 -4.760 -4.058 7.968 1.00 3.86 H ATOM 44 HE2 LYS A 2 -4.770 -3.291 10.213 1.00 5.50 H ATOM 45 HE3 LYS A 2 -5.334 -4.967 10.247 1.00 4.98 H ATOM 46 HZ1 LYS A 2 -3.157 -5.629 10.993 1.00 6.47 H ATOM 47 HZ2 LYS A 2 -2.569 -4.098 10.840 1.00 6.47 H ATOM 48 HZ3 LYS A 2 -3.703 -4.430 11.978 1.00 6.90 H ATOM 49 N ARG A 3 -2.901 -5.690 3.960 1.00 0.58 N ATOM 50 CA ARG A 3 -2.351 -5.428 2.638 1.00 0.52 C ATOM 51 C ARG A 3 -1.099 -4.576 2.826 1.00 0.43 C ATOM 52 O ARG A 3 -0.867 -4.098 3.934 1.00 0.54 O ATOM 53 CB ARG A 3 -3.387 -4.716 1.759 1.00 0.65 C ATOM 54 CG ARG A 3 -3.869 -3.379 2.353 1.00 2.26 C ATOM 55 CD ARG A 3 -5.350 -3.452 2.733 1.00 2.49 C ATOM 56 NE ARG A 3 -5.900 -2.118 3.018 1.00 3.95 N ATOM 57 CZ ARG A 3 -7.097 -1.880 3.571 1.00 4.61 C ATOM 58 NH1 ARG A 3 -7.863 -2.898 3.967 1.00 4.06 N ATOM 59 NH2 ARG A 3 -7.527 -0.627 3.722 1.00 6.16 N ATOM 60 H ARG A 3 -2.683 -4.963 4.626 1.00 1.58 H ATOM 61 HA ARG A 3 -2.081 -6.380 2.180 1.00 0.56 H ATOM 62 HB2 ARG A 3 -2.943 -4.520 0.783 1.00 1.63 H ATOM 63 HB3 ARG A 3 -4.237 -5.382 1.603 1.00 1.77 H ATOM 64 HG2 ARG A 3 -3.292 -3.103 3.237 1.00 3.48 H ATOM 65 HG3 ARG A 3 -3.726 -2.600 1.610 1.00 3.20 H ATOM 66 HD2 ARG A 3 -5.903 -3.887 1.902 1.00 2.21 H ATOM 67 HD3 ARG A 3 -5.455 -4.098 3.604 1.00 2.95 H ATOM 68 HE ARG A 3 -5.320 -1.338 2.730 1.00 4.74 H ATOM 69 HH11 ARG A 3 -7.531 -3.843 3.864 1.00 3.33 H ATOM 70 HH12 ARG A 3 -8.766 -2.754 4.394 1.00 4.73 H ATOM 71 HH21 ARG A 3 -6.965 0.155 3.416 1.00 6.91 H ATOM 72 HH22 ARG A 3 -8.426 -0.416 4.132 1.00 6.75 H ATOM 73 N ILE A 4 -0.307 -4.374 1.770 1.00 0.37 N ATOM 74 CA ILE A 4 0.917 -3.588 1.842 1.00 0.39 C ATOM 75 C ILE A 4 0.971 -2.715 0.608 1.00 0.31 C ATOM 76 O ILE A 4 0.352 -3.033 -0.409 1.00 0.29 O ATOM 77 CB ILE A 4 2.193 -4.446 1.973 1.00 0.60 C ATOM 78 CG1 ILE A 4 1.991 -5.663 2.881 1.00 0.78 C ATOM 79 CG2 ILE A 4 3.336 -3.647 2.607 1.00 0.72 C ATOM 80 CD1 ILE A 4 1.244 -6.770 2.149 1.00 0.84 C ATOM 81 H ILE A 4 -0.567 -4.702 0.852 1.00 0.42 H ATOM 82 HA ILE A 4 0.850 -2.940 2.704 1.00 0.42 H ATOM 83 HB ILE A 4 2.519 -4.776 0.986 1.00 0.63 H ATOM 84 HG12 ILE A 4 2.962 -6.055 3.181 1.00 0.94 H ATOM 85 HG13 ILE A 4 1.441 -5.357 3.771 1.00 0.79 H ATOM 86 HG21 ILE A 4 3.561 -2.754 2.029 1.00 1.65 H ATOM 87 HG22 ILE A 4 3.070 -3.371 3.628 1.00 1.55 H ATOM 88 HG23 ILE A 4 4.232 -4.267 2.628 1.00 1.14 H ATOM 89 HD11 ILE A 4 1.202 -6.531 1.089 1.00 1.60 H ATOM 90 HD12 ILE A 4 1.764 -7.716 2.291 1.00 2.04 H ATOM 91 HD13 ILE A 4 0.238 -6.845 2.550 1.00 1.77 H ATOM 92 N HIS A 5 1.639 -1.572 0.729 1.00 0.31 N ATOM 93 CA HIS A 5 1.770 -0.628 -0.344 1.00 0.24 C ATOM 94 C HIS A 5 3.002 0.240 -0.099 1.00 0.27 C ATOM 95 O HIS A 5 3.704 0.079 0.897 1.00 0.35 O ATOM 96 CB HIS A 5 0.497 0.199 -0.516 1.00 0.19 C ATOM 97 CG HIS A 5 -0.292 0.474 0.738 1.00 0.31 C ATOM 98 ND1 HIS A 5 -0.510 1.699 1.326 1.00 0.43 N ATOM 99 CD2 HIS A 5 -1.082 -0.442 1.376 1.00 0.36 C ATOM 100 CE1 HIS A 5 -1.450 1.524 2.269 1.00 0.52 C ATOM 101 NE2 HIS A 5 -1.806 0.229 2.362 1.00 0.47 N ATOM 102 H HIS A 5 2.143 -1.320 1.569 1.00 0.37 H ATOM 103 HA HIS A 5 1.890 -1.199 -1.256 1.00 0.26 H ATOM 104 HB2 HIS A 5 0.747 1.135 -0.993 1.00 0.21 H ATOM 105 HB3 HIS A 5 -0.138 -0.341 -1.215 1.00 0.15 H ATOM 106 HD1 HIS A 5 -0.104 2.596 1.071 1.00 0.45 H ATOM 107 HD2 HIS A 5 -1.174 -1.479 1.080 1.00 0.37 H ATOM 108 HE1 HIS A 5 -1.914 2.337 2.811 1.00 0.65 H ATOM 109 N ILE A 6 3.260 1.138 -1.044 1.00 0.25 N ATOM 110 CA ILE A 6 4.366 2.071 -1.064 1.00 0.26 C ATOM 111 C ILE A 6 3.963 3.282 -0.219 1.00 0.26 C ATOM 112 O ILE A 6 2.799 3.402 0.156 1.00 0.27 O ATOM 113 CB ILE A 6 4.666 2.426 -2.533 1.00 0.29 C ATOM 114 CG1 ILE A 6 4.869 1.127 -3.332 1.00 0.35 C ATOM 115 CG2 ILE A 6 5.951 3.258 -2.692 1.00 0.34 C ATOM 116 CD1 ILE A 6 3.575 0.469 -3.852 1.00 0.33 C ATOM 117 H ILE A 6 2.590 1.224 -1.787 1.00 0.23 H ATOM 118 HA ILE A 6 5.246 1.589 -0.643 1.00 0.30 H ATOM 119 HB ILE A 6 3.830 2.985 -2.958 1.00 0.29 H ATOM 120 HG12 ILE A 6 5.482 1.362 -4.195 1.00 0.41 H ATOM 121 HG13 ILE A 6 5.435 0.422 -2.723 1.00 0.37 H ATOM 122 HG21 ILE A 6 5.815 4.264 -2.307 1.00 1.37 H ATOM 123 HG22 ILE A 6 6.783 2.770 -2.182 1.00 1.49 H ATOM 124 HG23 ILE A 6 6.200 3.368 -3.747 1.00 1.39 H ATOM 125 HD11 ILE A 6 3.813 -0.151 -4.716 1.00 1.46 H ATOM 126 HD12 ILE A 6 3.116 -0.175 -3.102 1.00 1.47 H ATOM 127 HD13 ILE A 6 2.855 1.232 -4.151 1.00 1.40 H ATOM 128 N GLY A 7 4.917 4.175 0.049 1.00 0.28 N ATOM 129 CA GLY A 7 4.746 5.404 0.829 1.00 0.34 C ATOM 130 C GLY A 7 3.454 6.159 0.498 1.00 0.38 C ATOM 131 O GLY A 7 2.497 6.091 1.263 1.00 0.42 O ATOM 132 H GLY A 7 5.835 3.953 -0.310 1.00 0.29 H ATOM 133 HA2 GLY A 7 4.724 5.141 1.887 1.00 0.38 H ATOM 134 HA3 GLY A 7 5.599 6.061 0.661 1.00 0.34 H ATOM 135 N PRO A 8 3.381 6.866 -0.639 1.00 0.40 N ATOM 136 CA PRO A 8 2.159 7.516 -1.100 1.00 0.46 C ATOM 137 C PRO A 8 1.248 6.516 -1.830 1.00 0.48 C ATOM 138 O PRO A 8 0.495 6.891 -2.726 1.00 0.78 O ATOM 139 CB PRO A 8 2.663 8.607 -2.049 1.00 0.50 C ATOM 140 CG PRO A 8 3.868 7.934 -2.706 1.00 0.45 C ATOM 141 CD PRO A 8 4.477 7.133 -1.553 1.00 0.39 C ATOM 142 HA PRO A 8 1.614 7.963 -0.268 1.00 0.50 H ATOM 143 HB2 PRO A 8 1.917 8.919 -2.782 1.00 0.56 H ATOM 144 HB3 PRO A 8 2.999 9.467 -1.468 1.00 0.53 H ATOM 145 HG2 PRO A 8 3.528 7.254 -3.488 1.00 0.44 H ATOM 146 HG3 PRO A 8 4.571 8.663 -3.108 1.00 0.49 H ATOM 147 HD2 PRO A 8 4.911 6.209 -1.928 1.00 0.37 H ATOM 148 HD3 PRO A 8 5.234 7.733 -1.047 1.00 0.40 H ATOM 149 N GLY A 9 1.323 5.233 -1.478 1.00 0.29 N ATOM 150 CA GLY A 9 0.539 4.176 -2.081 1.00 0.30 C ATOM 151 C GLY A 9 -0.571 3.786 -1.117 1.00 0.30 C ATOM 152 O GLY A 9 -0.623 4.256 0.017 1.00 0.49 O ATOM 153 H GLY A 9 1.811 4.981 -0.631 1.00 0.38 H ATOM 154 HA2 GLY A 9 0.108 4.512 -3.025 1.00 0.38 H ATOM 155 HA3 GLY A 9 1.181 3.315 -2.262 1.00 0.32 H ATOM 156 N ARG A 10 -1.470 2.909 -1.561 1.00 0.37 N ATOM 157 CA ARG A 10 -2.747 2.699 -0.877 1.00 0.41 C ATOM 158 C ARG A 10 -3.142 1.254 -0.656 1.00 0.30 C ATOM 159 O ARG A 10 -3.864 0.970 0.293 1.00 0.44 O ATOM 160 CB ARG A 10 -3.873 3.455 -1.574 1.00 0.72 C ATOM 161 CG ARG A 10 -3.702 3.773 -3.068 1.00 1.66 C ATOM 162 CD ARG A 10 -3.481 2.588 -4.028 1.00 1.82 C ATOM 163 NE ARG A 10 -4.462 1.491 -3.939 1.00 0.96 N ATOM 164 CZ ARG A 10 -5.734 1.526 -4.357 1.00 1.72 C ATOM 165 NH1 ARG A 10 -6.329 2.683 -4.645 1.00 2.27 N ATOM 166 NH2 ARG A 10 -6.409 0.391 -4.501 1.00 2.41 N ATOM 167 H ARG A 10 -1.316 2.535 -2.481 1.00 0.64 H ATOM 168 HA ARG A 10 -2.665 3.118 0.125 1.00 0.48 H ATOM 169 HB2 ARG A 10 -4.819 2.939 -1.405 1.00 1.23 H ATOM 170 HB3 ARG A 10 -3.929 4.398 -1.048 1.00 0.41 H ATOM 171 HG2 ARG A 10 -4.578 4.336 -3.384 1.00 2.31 H ATOM 172 HG3 ARG A 10 -2.856 4.451 -3.181 1.00 2.65 H ATOM 173 HD2 ARG A 10 -3.477 2.969 -5.050 1.00 2.74 H ATOM 174 HD3 ARG A 10 -2.497 2.166 -3.849 1.00 2.76 H ATOM 175 HE ARG A 10 -4.079 0.572 -3.732 1.00 0.67 H ATOM 176 HH11 ARG A 10 -5.805 3.539 -4.613 1.00 2.14 H ATOM 177 HH12 ARG A 10 -7.284 2.720 -4.965 1.00 3.03 H ATOM 178 HH21 ARG A 10 -5.881 -0.472 -4.656 1.00 2.07 H ATOM 179 HH22 ARG A 10 -7.361 0.355 -4.821 1.00 3.25 H ATOM 180 N ALA A 11 -2.708 0.379 -1.556 1.00 0.18 N ATOM 181 CA ALA A 11 -2.832 -1.070 -1.519 1.00 0.28 C ATOM 182 C ALA A 11 -2.529 -1.605 -2.905 1.00 0.41 C ATOM 183 O ALA A 11 -2.598 -0.851 -3.872 1.00 0.55 O ATOM 184 CB ALA A 11 -4.231 -1.504 -1.099 1.00 0.47 C ATOM 185 H ALA A 11 -2.235 0.765 -2.353 1.00 0.21 H ATOM 186 HA ALA A 11 -2.107 -1.487 -0.826 1.00 0.31 H ATOM 187 HB1 ALA A 11 -4.963 -0.950 -1.690 1.00 1.44 H ATOM 188 HB2 ALA A 11 -4.352 -2.575 -1.255 1.00 1.35 H ATOM 189 HB3 ALA A 11 -4.354 -1.308 -0.037 1.00 1.55 H ATOM 190 N PHE A 12 -2.242 -2.903 -2.978 1.00 0.62 N ATOM 191 CA PHE A 12 -2.044 -3.621 -4.228 1.00 0.87 C ATOM 192 C PHE A 12 -3.340 -4.001 -4.938 1.00 1.03 C ATOM 193 O PHE A 12 -3.295 -4.534 -6.042 1.00 1.35 O ATOM 194 CB PHE A 12 -1.209 -4.870 -3.951 1.00 1.10 C ATOM 195 CG PHE A 12 -1.740 -5.780 -2.857 1.00 1.24 C ATOM 196 CD1 PHE A 12 -2.915 -6.528 -3.060 1.00 2.36 C ATOM 197 CD2 PHE A 12 -1.048 -5.892 -1.635 1.00 2.27 C ATOM 198 CE1 PHE A 12 -3.414 -7.354 -2.039 1.00 2.50 C ATOM 199 CE2 PHE A 12 -1.532 -6.744 -0.628 1.00 2.50 C ATOM 200 CZ PHE A 12 -2.724 -7.462 -0.821 1.00 1.82 C ATOM 201 H PHE A 12 -2.155 -3.436 -2.125 1.00 0.71 H ATOM 202 HA PHE A 12 -1.518 -2.969 -4.912 1.00 0.94 H ATOM 203 HB2 PHE A 12 -1.145 -5.440 -4.874 1.00 1.26 H ATOM 204 HB3 PHE A 12 -0.209 -4.538 -3.682 1.00 1.16 H ATOM 205 HD1 PHE A 12 -3.438 -6.484 -4.005 1.00 3.64 H ATOM 206 HD2 PHE A 12 -0.129 -5.343 -1.482 1.00 3.49 H ATOM 207 HE1 PHE A 12 -4.319 -7.922 -2.204 1.00 3.75 H ATOM 208 HE2 PHE A 12 -0.979 -6.868 0.289 1.00 3.78 H ATOM 209 HZ PHE A 12 -3.098 -8.114 -0.045 1.00 2.10 H ATOM 210 N TYR A 13 -4.471 -3.767 -4.282 1.00 1.06 N ATOM 211 CA TYR A 13 -5.784 -3.858 -4.905 1.00 1.36 C ATOM 212 C TYR A 13 -5.809 -2.954 -6.130 1.00 2.14 C ATOM 213 O TYR A 13 -6.270 -3.418 -7.191 1.00 2.52 O ATOM 214 CB TYR A 13 -6.886 -3.366 -3.966 1.00 1.55 C ATOM 215 CG TYR A 13 -6.997 -4.013 -2.609 1.00 1.68 C ATOM 216 CD1 TYR A 13 -7.027 -5.411 -2.483 1.00 2.36 C ATOM 217 CD2 TYR A 13 -7.196 -3.197 -1.482 1.00 2.56 C ATOM 218 CE1 TYR A 13 -7.304 -5.996 -1.234 1.00 2.92 C ATOM 219 CE2 TYR A 13 -7.487 -3.769 -0.236 1.00 2.96 C ATOM 220 CZ TYR A 13 -7.557 -5.174 -0.111 1.00 2.82 C ATOM 221 OH TYR A 13 -7.896 -5.727 1.087 1.00 3.50 O ATOM 222 OXT TYR A 13 -5.451 -1.769 -5.926 1.00 2.90 O ATOM 223 H TYR A 13 -4.351 -3.386 -3.368 1.00 1.06 H ATOM 224 HA TYR A 13 -5.978 -4.888 -5.206 1.00 1.54 H ATOM 225 HB2 TYR A 13 -6.758 -2.295 -3.822 1.00 1.79 H ATOM 226 HB3 TYR A 13 -7.840 -3.505 -4.478 1.00 1.85 H ATOM 227 HD1 TYR A 13 -6.869 -6.026 -3.358 1.00 3.08 H ATOM 228 HD2 TYR A 13 -7.161 -2.123 -1.590 1.00 3.41 H ATOM 229 HE1 TYR A 13 -7.365 -7.070 -1.153 1.00 3.91 H ATOM 230 HE2 TYR A 13 -7.675 -3.123 0.607 1.00 3.90 H ATOM 231 HH TYR A 13 -8.618 -5.252 1.501 1.00 3.95 H TER 232 TYR A 13 ENDMDL MODEL 11 ATOM 1 N ARG A 1 -0.693 -3.551 8.603 1.00 6.54 N ATOM 2 CA ARG A 1 -2.121 -3.850 8.373 1.00 5.32 C ATOM 3 C ARG A 1 -2.213 -4.949 7.317 1.00 3.45 C ATOM 4 O ARG A 1 -1.174 -5.455 6.908 1.00 4.18 O ATOM 5 CB ARG A 1 -2.920 -2.586 7.993 1.00 7.24 C ATOM 6 CG ARG A 1 -3.923 -2.256 9.109 1.00 8.67 C ATOM 7 CD ARG A 1 -4.935 -1.188 8.675 1.00 10.78 C ATOM 8 NE ARG A 1 -6.063 -1.117 9.618 1.00 12.02 N ATOM 9 CZ ARG A 1 -7.122 -0.302 9.510 1.00 13.91 C ATOM 10 NH1 ARG A 1 -7.173 0.609 8.539 1.00 14.87 N ATOM 11 NH2 ARG A 1 -8.133 -0.408 10.375 1.00 15.09 N ATOM 12 H1 ARG A 1 -0.285 -3.199 7.747 1.00 7.40 H ATOM 13 H2 ARG A 1 -0.580 -2.881 9.350 1.00 7.66 H ATOM 14 H3 ARG A 1 -0.214 -4.412 8.833 1.00 5.93 H ATOM 15 HA ARG A 1 -2.536 -4.256 9.296 1.00 5.10 H ATOM 16 HB2 ARG A 1 -2.249 -1.738 7.843 1.00 8.46 H ATOM 17 HB3 ARG A 1 -3.467 -2.749 7.064 1.00 6.94 H ATOM 18 HG2 ARG A 1 -4.466 -3.165 9.367 1.00 8.17 H ATOM 19 HG3 ARG A 1 -3.384 -1.906 9.991 1.00 9.16 H ATOM 20 HD2 ARG A 1 -4.437 -0.219 8.616 1.00 11.78 H ATOM 21 HD3 ARG A 1 -5.324 -1.448 7.688 1.00 10.72 H ATOM 22 HE ARG A 1 -6.030 -1.767 10.388 1.00 11.59 H ATOM 23 HH11 ARG A 1 -6.400 0.709 7.900 1.00 14.28 H ATOM 24 HH12 ARG A 1 -7.952 1.243 8.437 1.00 16.39 H ATOM 25 HH21 ARG A 1 -8.125 -1.093 11.116 1.00 14.69 H ATOM 26 HH22 ARG A 1 -8.944 0.192 10.317 1.00 16.58 H ATOM 27 N LYS A 2 -3.419 -5.354 6.907 1.00 2.21 N ATOM 28 CA LYS A 2 -3.573 -6.247 5.763 1.00 0.64 C ATOM 29 C LYS A 2 -3.289 -5.454 4.488 1.00 1.05 C ATOM 30 O LYS A 2 -3.512 -4.244 4.469 1.00 3.07 O ATOM 31 CB LYS A 2 -4.998 -6.814 5.730 1.00 2.35 C ATOM 32 CG LYS A 2 -5.240 -7.874 6.814 1.00 3.53 C ATOM 33 CD LYS A 2 -4.689 -9.247 6.405 1.00 5.48 C ATOM 34 CE LYS A 2 -5.066 -10.284 7.471 1.00 6.74 C ATOM 35 NZ LYS A 2 -4.735 -11.666 7.054 1.00 8.85 N ATOM 36 H LYS A 2 -4.248 -4.890 7.244 1.00 3.49 H ATOM 37 HA LYS A 2 -2.842 -7.052 5.840 1.00 1.68 H ATOM 38 HB2 LYS A 2 -5.706 -5.995 5.868 1.00 3.01 H ATOM 39 HB3 LYS A 2 -5.194 -7.261 4.755 1.00 3.43 H ATOM 40 HG2 LYS A 2 -4.788 -7.558 7.755 1.00 2.86 H ATOM 41 HG3 LYS A 2 -6.317 -7.969 6.965 1.00 4.69 H ATOM 42 HD2 LYS A 2 -5.137 -9.535 5.452 1.00 6.54 H ATOM 43 HD3 LYS A 2 -3.605 -9.200 6.295 1.00 5.60 H ATOM 44 HE2 LYS A 2 -4.549 -10.046 8.403 1.00 6.49 H ATOM 45 HE3 LYS A 2 -6.141 -10.214 7.651 1.00 6.81 H ATOM 46 HZ1 LYS A 2 -3.745 -11.842 7.167 1.00 9.17 H ATOM 47 HZ2 LYS A 2 -5.247 -12.327 7.624 1.00 9.62 H ATOM 48 HZ3 LYS A 2 -4.990 -11.815 6.087 1.00 9.62 H ATOM 49 N ARG A 3 -2.881 -6.164 3.429 1.00 0.91 N ATOM 50 CA ARG A 3 -2.321 -5.659 2.181 1.00 0.72 C ATOM 51 C ARG A 3 -1.037 -4.870 2.445 1.00 0.60 C ATOM 52 O ARG A 3 -0.719 -4.544 3.585 1.00 0.73 O ATOM 53 CB ARG A 3 -3.356 -4.863 1.380 1.00 0.78 C ATOM 54 CG ARG A 3 -4.442 -5.712 0.709 1.00 2.13 C ATOM 55 CD ARG A 3 -5.476 -6.278 1.680 1.00 2.69 C ATOM 56 NE ARG A 3 -6.219 -5.218 2.379 1.00 3.21 N ATOM 57 CZ ARG A 3 -7.344 -5.400 3.083 1.00 3.90 C ATOM 58 NH1 ARG A 3 -7.828 -6.629 3.268 1.00 4.11 N ATOM 59 NH2 ARG A 3 -7.990 -4.350 3.590 1.00 4.98 N ATOM 60 H ARG A 3 -2.790 -7.154 3.542 1.00 2.50 H ATOM 61 HA ARG A 3 -2.036 -6.520 1.579 1.00 0.78 H ATOM 62 HB2 ARG A 3 -3.803 -4.114 2.024 1.00 0.98 H ATOM 63 HB3 ARG A 3 -2.837 -4.354 0.578 1.00 1.49 H ATOM 64 HG2 ARG A 3 -4.959 -5.098 -0.028 1.00 2.86 H ATOM 65 HG3 ARG A 3 -3.972 -6.539 0.180 1.00 3.05 H ATOM 66 HD2 ARG A 3 -6.167 -6.891 1.103 1.00 3.35 H ATOM 67 HD3 ARG A 3 -4.971 -6.915 2.398 1.00 3.36 H ATOM 68 HE ARG A 3 -5.840 -4.287 2.278 1.00 3.63 H ATOM 69 HH11 ARG A 3 -7.391 -7.403 2.790 1.00 4.09 H ATOM 70 HH12 ARG A 3 -8.671 -6.812 3.789 1.00 4.77 H ATOM 71 HH21 ARG A 3 -7.649 -3.411 3.444 1.00 5.52 H ATOM 72 HH22 ARG A 3 -8.853 -4.456 4.105 1.00 5.58 H ATOM 73 N ILE A 4 -0.259 -4.622 1.389 1.00 0.50 N ATOM 74 CA ILE A 4 0.994 -3.891 1.483 1.00 0.40 C ATOM 75 C ILE A 4 1.035 -2.937 0.311 1.00 0.32 C ATOM 76 O ILE A 4 0.402 -3.184 -0.717 1.00 0.34 O ATOM 77 CB ILE A 4 2.248 -4.789 1.515 1.00 0.49 C ATOM 78 CG1 ILE A 4 2.086 -6.052 2.367 1.00 0.66 C ATOM 79 CG2 ILE A 4 3.428 -4.026 2.128 1.00 0.54 C ATOM 80 CD1 ILE A 4 1.296 -7.119 1.622 1.00 0.73 C ATOM 81 H ILE A 4 -0.558 -4.855 0.454 1.00 0.53 H ATOM 82 HA ILE A 4 0.966 -3.307 2.392 1.00 0.39 H ATOM 83 HB ILE A 4 2.523 -5.070 0.497 1.00 0.51 H ATOM 84 HG12 ILE A 4 3.070 -6.468 2.581 1.00 0.78 H ATOM 85 HG13 ILE A 4 1.596 -5.802 3.308 1.00 0.68 H ATOM 86 HG21 ILE A 4 4.303 -4.674 2.148 1.00 1.59 H ATOM 87 HG22 ILE A 4 3.679 -3.150 1.533 1.00 1.79 H ATOM 88 HG23 ILE A 4 3.184 -3.727 3.147 1.00 1.31 H ATOM 89 HD11 ILE A 4 0.250 -7.043 1.895 1.00 1.03 H ATOM 90 HD12 ILE A 4 1.412 -6.968 0.552 1.00 1.60 H ATOM 91 HD13 ILE A 4 1.668 -8.104 1.899 1.00 1.59 H ATOM 92 N HIS A 5 1.702 -1.805 0.506 1.00 0.26 N ATOM 93 CA HIS A 5 1.801 -0.781 -0.496 1.00 0.21 C ATOM 94 C HIS A 5 3.021 0.086 -0.204 1.00 0.19 C ATOM 95 O HIS A 5 3.739 -0.131 0.770 1.00 0.22 O ATOM 96 CB HIS A 5 0.517 0.040 -0.586 1.00 0.18 C ATOM 97 CG HIS A 5 -0.231 0.248 0.704 1.00 0.25 C ATOM 98 ND1 HIS A 5 -0.464 1.444 1.344 1.00 0.32 N ATOM 99 CD2 HIS A 5 -0.978 -0.710 1.329 1.00 0.31 C ATOM 100 CE1 HIS A 5 -1.376 1.211 2.302 1.00 0.39 C ATOM 101 NE2 HIS A 5 -1.688 -0.096 2.360 1.00 0.37 N ATOM 102 H HIS A 5 2.221 -1.616 1.353 1.00 0.28 H ATOM 103 HA HIS A 5 1.915 -1.280 -1.450 1.00 0.25 H ATOM 104 HB2 HIS A 5 0.739 1.000 -1.029 1.00 0.21 H ATOM 105 HB3 HIS A 5 -0.135 -0.475 -1.287 1.00 0.17 H ATOM 106 HD1 HIS A 5 -0.090 2.362 1.116 1.00 0.34 H ATOM 107 HD2 HIS A 5 -1.052 -1.734 0.991 1.00 0.36 H ATOM 108 HE1 HIS A 5 -1.855 1.989 2.879 1.00 0.50 H ATOM 109 N ILE A 6 3.246 1.052 -1.086 1.00 0.18 N ATOM 110 CA ILE A 6 4.318 2.021 -1.042 1.00 0.22 C ATOM 111 C ILE A 6 3.880 3.145 -0.103 1.00 0.20 C ATOM 112 O ILE A 6 2.714 3.199 0.282 1.00 0.18 O ATOM 113 CB ILE A 6 4.588 2.498 -2.481 1.00 0.30 C ATOM 114 CG1 ILE A 6 4.817 1.271 -3.381 1.00 0.36 C ATOM 115 CG2 ILE A 6 5.848 3.374 -2.583 1.00 0.37 C ATOM 116 CD1 ILE A 6 3.536 0.614 -3.932 1.00 0.34 C ATOM 117 H ILE A 6 2.565 1.175 -1.814 1.00 0.19 H ATOM 118 HA ILE A 6 5.219 1.537 -0.667 1.00 0.26 H ATOM 119 HB ILE A 6 3.733 3.065 -2.851 1.00 0.29 H ATOM 120 HG12 ILE A 6 5.409 1.592 -4.230 1.00 0.43 H ATOM 121 HG13 ILE A 6 5.414 0.541 -2.835 1.00 0.37 H ATOM 122 HG21 ILE A 6 5.691 4.341 -2.116 1.00 1.50 H ATOM 123 HG22 ILE A 6 6.699 2.868 -2.125 1.00 1.45 H ATOM 124 HG23 ILE A 6 6.082 3.575 -3.630 1.00 1.33 H ATOM 125 HD11 ILE A 6 3.121 -0.115 -3.233 1.00 1.48 H ATOM 126 HD12 ILE A 6 2.780 1.370 -4.141 1.00 1.66 H ATOM 127 HD13 ILE A 6 3.775 0.084 -4.855 1.00 1.59 H ATOM 128 N GLY A 7 4.807 4.044 0.234 1.00 0.24 N ATOM 129 CA GLY A 7 4.603 5.197 1.114 1.00 0.28 C ATOM 130 C GLY A 7 3.287 5.937 0.854 1.00 0.28 C ATOM 131 O GLY A 7 2.341 5.786 1.619 1.00 0.28 O ATOM 132 H GLY A 7 5.729 3.879 -0.146 1.00 0.28 H ATOM 133 HA2 GLY A 7 4.594 4.844 2.146 1.00 0.30 H ATOM 134 HA3 GLY A 7 5.434 5.891 1.000 1.00 0.32 H ATOM 135 N PRO A 8 3.184 6.727 -0.226 1.00 0.31 N ATOM 136 CA PRO A 8 1.942 7.382 -0.625 1.00 0.34 C ATOM 137 C PRO A 8 1.039 6.426 -1.417 1.00 0.33 C ATOM 138 O PRO A 8 0.214 6.862 -2.217 1.00 0.54 O ATOM 139 CB PRO A 8 2.409 8.553 -1.494 1.00 0.41 C ATOM 140 CG PRO A 8 3.625 7.963 -2.208 1.00 0.40 C ATOM 141 CD PRO A 8 4.262 7.086 -1.128 1.00 0.36 C ATOM 142 HA PRO A 8 1.400 7.755 0.246 1.00 0.35 H ATOM 143 HB2 PRO A 8 1.649 8.897 -2.196 1.00 0.44 H ATOM 144 HB3 PRO A 8 2.728 9.376 -0.854 1.00 0.43 H ATOM 145 HG2 PRO A 8 3.295 7.340 -3.041 1.00 0.40 H ATOM 146 HG3 PRO A 8 4.307 8.739 -2.554 1.00 0.45 H ATOM 147 HD2 PRO A 8 4.708 6.202 -1.580 1.00 0.36 H ATOM 148 HD3 PRO A 8 5.015 7.658 -0.586 1.00 0.39 H ATOM 149 N GLY A 9 1.198 5.117 -1.231 1.00 0.26 N ATOM 150 CA GLY A 9 0.409 4.101 -1.893 1.00 0.25 C ATOM 151 C GLY A 9 -0.689 3.643 -0.946 1.00 0.21 C ATOM 152 O GLY A 9 -0.752 4.063 0.208 1.00 0.39 O ATOM 153 H GLY A 9 1.752 4.799 -0.450 1.00 0.40 H ATOM 154 HA2 GLY A 9 -0.033 4.500 -2.806 1.00 0.30 H ATOM 155 HA3 GLY A 9 1.053 3.257 -2.140 1.00 0.28 H ATOM 156 N ARG A 10 -1.559 2.754 -1.422 1.00 0.35 N ATOM 157 CA ARG A 10 -2.820 2.460 -0.739 1.00 0.32 C ATOM 158 C ARG A 10 -3.151 0.989 -0.587 1.00 0.24 C ATOM 159 O ARG A 10 -3.848 0.627 0.353 1.00 0.31 O ATOM 160 CB ARG A 10 -3.982 3.200 -1.395 1.00 0.58 C ATOM 161 CG ARG A 10 -3.827 3.612 -2.869 1.00 1.47 C ATOM 162 CD ARG A 10 -3.564 2.490 -3.891 1.00 1.73 C ATOM 163 NE ARG A 10 -4.550 1.397 -3.891 1.00 0.97 N ATOM 164 CZ ARG A 10 -5.778 1.459 -4.419 1.00 1.73 C ATOM 165 NH1 ARG A 10 -6.325 2.630 -4.745 1.00 2.26 N ATOM 166 NH2 ARG A 10 -6.457 0.340 -4.637 1.00 2.41 N ATOM 167 H ARG A 10 -1.396 2.425 -2.358 1.00 0.63 H ATOM 168 HA ARG A 10 -2.748 2.834 0.282 1.00 0.35 H ATOM 169 HB2 ARG A 10 -4.901 2.628 -1.261 1.00 1.20 H ATOM 170 HB3 ARG A 10 -4.086 4.107 -0.815 1.00 0.48 H ATOM 171 HG2 ARG A 10 -4.728 4.152 -3.152 1.00 2.10 H ATOM 172 HG3 ARG A 10 -3.008 4.330 -2.943 1.00 2.48 H ATOM 173 HD2 ARG A 10 -3.535 2.932 -4.888 1.00 2.63 H ATOM 174 HD3 ARG A 10 -2.584 2.058 -3.716 1.00 2.70 H ATOM 175 HE ARG A 10 -4.191 0.473 -3.657 1.00 0.69 H ATOM 176 HH11 ARG A 10 -5.796 3.479 -4.643 1.00 2.14 H ATOM 177 HH12 ARG A 10 -7.244 2.685 -5.156 1.00 2.98 H ATOM 178 HH21 ARG A 10 -5.917 -0.517 -4.766 1.00 2.08 H ATOM 179 HH22 ARG A 10 -7.371 0.321 -5.057 1.00 3.18 H ATOM 180 N ALA A 11 -2.692 0.178 -1.531 1.00 0.22 N ATOM 181 CA ALA A 11 -2.772 -1.275 -1.582 1.00 0.28 C ATOM 182 C ALA A 11 -2.508 -1.697 -3.014 1.00 0.41 C ATOM 183 O ALA A 11 -2.622 -0.871 -3.916 1.00 0.55 O ATOM 184 CB ALA A 11 -4.139 -1.781 -1.138 1.00 0.45 C ATOM 185 H ALA A 11 -2.251 0.623 -2.314 1.00 0.26 H ATOM 186 HA ALA A 11 -2.006 -1.713 -0.946 1.00 0.28 H ATOM 187 HB1 ALA A 11 -4.257 -2.829 -1.409 1.00 1.85 H ATOM 188 HB2 ALA A 11 -4.207 -1.708 -0.051 1.00 1.90 H ATOM 189 HB3 ALA A 11 -4.905 -1.177 -1.631 1.00 1.50 H ATOM 190 N PHE A 12 -2.199 -2.979 -3.205 1.00 0.55 N ATOM 191 CA PHE A 12 -2.004 -3.570 -4.521 1.00 0.75 C ATOM 192 C PHE A 12 -3.294 -3.955 -5.234 1.00 0.89 C ATOM 193 O PHE A 12 -3.252 -4.413 -6.371 1.00 1.19 O ATOM 194 CB PHE A 12 -1.096 -4.788 -4.384 1.00 0.88 C ATOM 195 CG PHE A 12 -1.570 -5.848 -3.405 1.00 0.97 C ATOM 196 CD1 PHE A 12 -2.657 -6.680 -3.733 1.00 2.18 C ATOM 197 CD2 PHE A 12 -0.905 -6.024 -2.176 1.00 1.68 C ATOM 198 CE1 PHE A 12 -3.086 -7.671 -2.835 1.00 2.31 C ATOM 199 CE2 PHE A 12 -1.322 -7.029 -1.287 1.00 1.83 C ATOM 200 CZ PHE A 12 -2.412 -7.852 -1.615 1.00 1.43 C ATOM 201 H PHE A 12 -2.068 -3.579 -2.404 1.00 0.60 H ATOM 202 HA PHE A 12 -1.538 -2.826 -5.154 1.00 0.86 H ATOM 203 HB2 PHE A 12 -1.004 -5.242 -5.366 1.00 0.97 H ATOM 204 HB3 PHE A 12 -0.117 -4.431 -4.076 1.00 0.99 H ATOM 205 HD1 PHE A 12 -3.161 -6.575 -4.684 1.00 3.33 H ATOM 206 HD2 PHE A 12 -0.052 -5.406 -1.931 1.00 2.76 H ATOM 207 HE1 PHE A 12 -3.918 -8.308 -3.097 1.00 3.48 H ATOM 208 HE2 PHE A 12 -0.788 -7.191 -0.364 1.00 2.92 H ATOM 209 HZ PHE A 12 -2.726 -8.635 -0.940 1.00 1.66 H ATOM 210 N TYR A 13 -4.419 -3.799 -4.550 1.00 0.93 N ATOM 211 CA TYR A 13 -5.732 -3.808 -5.176 1.00 1.26 C ATOM 212 C TYR A 13 -5.737 -2.819 -6.334 1.00 2.15 C ATOM 213 O TYR A 13 -5.283 -1.682 -6.069 1.00 3.52 O ATOM 214 CB TYR A 13 -6.804 -3.345 -4.190 1.00 1.39 C ATOM 215 CG TYR A 13 -7.036 -4.178 -2.954 1.00 1.49 C ATOM 216 CD1 TYR A 13 -7.301 -5.552 -3.067 1.00 2.52 C ATOM 217 CD2 TYR A 13 -7.143 -3.535 -1.710 1.00 2.66 C ATOM 218 CE1 TYR A 13 -7.756 -6.271 -1.948 1.00 3.12 C ATOM 219 CE2 TYR A 13 -7.615 -4.240 -0.590 1.00 2.97 C ATOM 220 CZ TYR A 13 -7.953 -5.607 -0.717 1.00 2.69 C ATOM 221 OH TYR A 13 -8.496 -6.277 0.336 1.00 3.39 O ATOM 222 OXT TYR A 13 -6.283 -3.170 -7.397 1.00 3.08 O ATOM 223 H TYR A 13 -4.295 -3.481 -3.611 1.00 0.94 H ATOM 224 HA TYR A 13 -5.957 -4.803 -5.559 1.00 1.51 H ATOM 225 HB2 TYR A 13 -6.566 -2.328 -3.884 1.00 1.70 H ATOM 226 HB3 TYR A 13 -7.751 -3.301 -4.732 1.00 1.72 H ATOM 227 HD1 TYR A 13 -7.197 -6.029 -4.031 1.00 3.58 H ATOM 228 HD2 TYR A 13 -6.911 -2.483 -1.641 1.00 3.90 H ATOM 229 HE1 TYR A 13 -8.012 -7.316 -2.047 1.00 4.47 H ATOM 230 HE2 TYR A 13 -7.747 -3.719 0.345 1.00 4.16 H ATOM 231 HH TYR A 13 -9.158 -5.745 0.783 1.00 3.75 H TER 232 TYR A 13 ENDMDL MODEL 12 ATOM 1 N ARG A 1 -1.322 -8.310 9.484 1.00 4.13 N ATOM 2 CA ARG A 1 -0.707 -7.821 8.235 1.00 3.91 C ATOM 3 C ARG A 1 -1.680 -6.912 7.498 1.00 2.77 C ATOM 4 O ARG A 1 -1.566 -5.711 7.689 1.00 3.77 O ATOM 5 CB ARG A 1 -0.122 -8.952 7.370 1.00 4.78 C ATOM 6 CG ARG A 1 1.293 -9.309 7.852 1.00 6.08 C ATOM 7 CD ARG A 1 1.912 -10.439 7.013 1.00 7.10 C ATOM 8 NE ARG A 1 3.380 -10.336 6.944 1.00 8.43 N ATOM 9 CZ ARG A 1 4.262 -10.604 7.918 1.00 9.52 C ATOM 10 NH1 ARG A 1 3.847 -11.066 9.098 1.00 9.71 N ATOM 11 NH2 ARG A 1 5.563 -10.402 7.709 1.00 10.76 N ATOM 12 H1 ARG A 1 -2.113 -8.902 9.272 1.00 4.03 H ATOM 13 H2 ARG A 1 -0.647 -8.831 10.027 1.00 4.97 H ATOM 14 H3 ARG A 1 -1.640 -7.518 10.026 1.00 3.94 H ATOM 15 HA ARG A 1 0.113 -7.161 8.513 1.00 4.47 H ATOM 16 HB2 ARG A 1 -0.768 -9.831 7.408 1.00 4.97 H ATOM 17 HB3 ARG A 1 -0.051 -8.611 6.336 1.00 4.72 H ATOM 18 HG2 ARG A 1 1.917 -8.418 7.762 1.00 6.31 H ATOM 19 HG3 ARG A 1 1.268 -9.612 8.898 1.00 6.40 H ATOM 20 HD2 ARG A 1 1.618 -11.408 7.418 1.00 7.47 H ATOM 21 HD3 ARG A 1 1.528 -10.371 5.994 1.00 6.77 H ATOM 22 HE ARG A 1 3.732 -10.028 6.048 1.00 8.77 H ATOM 23 HH11 ARG A 1 2.874 -11.277 9.243 1.00 9.06 H ATOM 24 HH12 ARG A 1 4.492 -11.267 9.848 1.00 10.76 H ATOM 25 HH21 ARG A 1 5.906 -10.058 6.823 1.00 11.01 H ATOM 26 HH22 ARG A 1 6.253 -10.592 8.421 1.00 11.67 H ATOM 27 N LYS A 2 -2.643 -7.457 6.743 1.00 1.59 N ATOM 28 CA LYS A 2 -3.546 -6.720 5.847 1.00 0.65 C ATOM 29 C LYS A 2 -2.804 -6.449 4.535 1.00 0.74 C ATOM 30 O LYS A 2 -1.769 -7.069 4.299 1.00 1.88 O ATOM 31 CB LYS A 2 -4.158 -5.453 6.489 1.00 1.49 C ATOM 32 CG LYS A 2 -4.889 -5.760 7.810 1.00 2.62 C ATOM 33 CD LYS A 2 -6.374 -5.382 7.687 1.00 4.15 C ATOM 34 CE LYS A 2 -7.218 -5.832 8.886 1.00 5.25 C ATOM 35 NZ LYS A 2 -6.954 -5.038 10.105 1.00 6.24 N ATOM 36 H LYS A 2 -2.623 -8.452 6.580 1.00 2.45 H ATOM 37 HA LYS A 2 -4.373 -7.387 5.602 1.00 1.25 H ATOM 38 HB2 LYS A 2 -3.402 -4.687 6.649 1.00 2.05 H ATOM 39 HB3 LYS A 2 -4.874 -5.022 5.789 1.00 2.40 H ATOM 40 HG2 LYS A 2 -4.810 -6.822 8.043 1.00 2.63 H ATOM 41 HG3 LYS A 2 -4.422 -5.198 8.620 1.00 3.33 H ATOM 42 HD2 LYS A 2 -6.469 -4.303 7.550 1.00 4.59 H ATOM 43 HD3 LYS A 2 -6.779 -5.873 6.800 1.00 4.71 H ATOM 44 HE2 LYS A 2 -8.272 -5.727 8.618 1.00 5.86 H ATOM 45 HE3 LYS A 2 -7.025 -6.890 9.079 1.00 5.35 H ATOM 46 HZ1 LYS A 2 -7.156 -4.062 9.938 1.00 6.62 H ATOM 47 HZ2 LYS A 2 -7.549 -5.361 10.858 1.00 7.10 H ATOM 48 HZ3 LYS A 2 -5.989 -5.132 10.389 1.00 6.32 H ATOM 49 N ARG A 3 -3.355 -5.612 3.648 1.00 0.58 N ATOM 50 CA ARG A 3 -2.695 -5.313 2.381 1.00 0.48 C ATOM 51 C ARG A 3 -1.431 -4.504 2.662 1.00 0.43 C ATOM 52 O ARG A 3 -1.275 -3.966 3.755 1.00 0.66 O ATOM 53 CB ARG A 3 -3.613 -4.540 1.422 1.00 0.65 C ATOM 54 CG ARG A 3 -4.835 -5.339 0.948 1.00 1.92 C ATOM 55 CD ARG A 3 -6.077 -5.075 1.799 1.00 2.17 C ATOM 56 NE ARG A 3 -6.474 -3.658 1.756 1.00 3.18 N ATOM 57 CZ ARG A 3 -7.562 -3.136 2.335 1.00 3.96 C ATOM 58 NH1 ARG A 3 -8.441 -3.929 2.946 1.00 3.72 N ATOM 59 NH2 ARG A 3 -7.766 -1.819 2.296 1.00 5.43 N ATOM 60 H ARG A 3 -4.150 -5.057 3.915 1.00 1.49 H ATOM 61 HA ARG A 3 -2.402 -6.255 1.921 1.00 0.45 H ATOM 62 HB2 ARG A 3 -3.913 -3.598 1.882 1.00 0.99 H ATOM 63 HB3 ARG A 3 -3.041 -4.298 0.530 1.00 1.43 H ATOM 64 HG2 ARG A 3 -5.063 -5.060 -0.083 1.00 2.90 H ATOM 65 HG3 ARG A 3 -4.606 -6.404 0.966 1.00 2.78 H ATOM 66 HD2 ARG A 3 -6.885 -5.695 1.414 1.00 2.74 H ATOM 67 HD3 ARG A 3 -5.866 -5.363 2.826 1.00 2.59 H ATOM 68 HE ARG A 3 -5.870 -3.053 1.220 1.00 3.77 H ATOM 69 HH11 ARG A 3 -8.345 -4.927 2.845 1.00 3.27 H ATOM 70 HH12 ARG A 3 -9.283 -3.574 3.374 1.00 4.45 H ATOM 71 HH21 ARG A 3 -7.098 -1.198 1.859 1.00 6.05 H ATOM 72 HH22 ARG A 3 -8.584 -1.395 2.710 1.00 6.13 H ATOM 73 N ILE A 4 -0.546 -4.400 1.670 1.00 0.31 N ATOM 74 CA ILE A 4 0.700 -3.664 1.795 1.00 0.34 C ATOM 75 C ILE A 4 0.833 -2.792 0.568 1.00 0.26 C ATOM 76 O ILE A 4 0.267 -3.102 -0.483 1.00 0.22 O ATOM 77 CB ILE A 4 1.936 -4.566 1.982 1.00 0.51 C ATOM 78 CG1 ILE A 4 1.669 -5.780 2.877 1.00 0.67 C ATOM 79 CG2 ILE A 4 3.071 -3.788 2.655 1.00 0.66 C ATOM 80 CD1 ILE A 4 0.941 -6.875 2.110 1.00 0.70 C ATOM 81 H ILE A 4 -0.742 -4.778 0.755 1.00 0.34 H ATOM 82 HA ILE A 4 0.618 -3.018 2.656 1.00 0.43 H ATOM 83 HB ILE A 4 2.293 -4.903 1.006 1.00 0.52 H ATOM 84 HG12 ILE A 4 2.620 -6.192 3.214 1.00 0.83 H ATOM 85 HG13 ILE A 4 1.084 -5.474 3.745 1.00 0.68 H ATOM 86 HG21 ILE A 4 2.752 -3.454 3.642 1.00 2.15 H ATOM 87 HG22 ILE A 4 3.937 -4.441 2.761 1.00 1.47 H ATOM 88 HG23 ILE A 4 3.369 -2.934 2.052 1.00 1.80 H ATOM 89 HD11 ILE A 4 1.262 -7.849 2.472 1.00 1.72 H ATOM 90 HD12 ILE A 4 -0.125 -6.770 2.268 1.00 1.88 H ATOM 91 HD13 ILE A 4 1.165 -6.782 1.049 1.00 1.57 H ATOM 92 N HIS A 5 1.506 -1.659 0.729 1.00 0.28 N ATOM 93 CA HIS A 5 1.700 -0.708 -0.330 1.00 0.20 C ATOM 94 C HIS A 5 2.930 0.139 -0.019 1.00 0.26 C ATOM 95 O HIS A 5 3.585 -0.040 1.005 1.00 0.36 O ATOM 96 CB HIS A 5 0.450 0.141 -0.552 1.00 0.17 C ATOM 97 CG HIS A 5 -0.376 0.443 0.670 1.00 0.31 C ATOM 98 ND1 HIS A 5 -0.609 1.679 1.231 1.00 0.47 N ATOM 99 CD2 HIS A 5 -1.199 -0.455 1.287 1.00 0.37 C ATOM 100 CE1 HIS A 5 -1.594 1.527 2.132 1.00 0.61 C ATOM 101 NE2 HIS A 5 -1.963 0.238 2.227 1.00 0.54 N ATOM 102 H HIS A 5 1.968 -1.419 1.597 1.00 0.37 H ATOM 103 HA HIS A 5 1.855 -1.273 -1.240 1.00 0.23 H ATOM 104 HB2 HIS A 5 0.730 1.067 -1.031 1.00 0.21 H ATOM 105 HB3 HIS A 5 -0.172 -0.396 -1.265 1.00 0.14 H ATOM 106 HD1 HIS A 5 -0.183 2.570 0.990 1.00 0.49 H ATOM 107 HD2 HIS A 5 -1.281 -1.495 1.004 1.00 0.34 H ATOM 108 HE1 HIS A 5 -2.076 2.350 2.641 1.00 0.79 H ATOM 109 N ILE A 6 3.238 1.041 -0.944 1.00 0.24 N ATOM 110 CA ILE A 6 4.342 1.972 -0.897 1.00 0.31 C ATOM 111 C ILE A 6 3.898 3.169 -0.056 1.00 0.24 C ATOM 112 O ILE A 6 2.715 3.291 0.256 1.00 0.19 O ATOM 113 CB ILE A 6 4.712 2.346 -2.344 1.00 0.39 C ATOM 114 CG1 ILE A 6 4.949 1.057 -3.152 1.00 0.48 C ATOM 115 CG2 ILE A 6 6.008 3.173 -2.426 1.00 0.50 C ATOM 116 CD1 ILE A 6 3.678 0.414 -3.742 1.00 0.44 C ATOM 117 H ILE A 6 2.605 1.141 -1.716 1.00 0.22 H ATOM 118 HA ILE A 6 5.202 1.482 -0.439 1.00 0.40 H ATOM 119 HB ILE A 6 3.901 2.916 -2.799 1.00 0.37 H ATOM 120 HG12 ILE A 6 5.603 1.301 -3.979 1.00 0.59 H ATOM 121 HG13 ILE A 6 5.480 0.341 -2.524 1.00 0.51 H ATOM 122 HG21 ILE A 6 6.813 2.668 -1.889 1.00 1.80 H ATOM 123 HG22 ILE A 6 6.307 3.300 -3.467 1.00 1.32 H ATOM 124 HG23 ILE A 6 5.860 4.171 -2.028 1.00 1.67 H ATOM 125 HD11 ILE A 6 2.975 1.183 -4.061 1.00 1.44 H ATOM 126 HD12 ILE A 6 3.953 -0.193 -4.605 1.00 1.59 H ATOM 127 HD13 ILE A 6 3.182 -0.242 -3.025 1.00 1.62 H ATOM 128 N GLY A 7 4.841 4.053 0.281 1.00 0.28 N ATOM 129 CA GLY A 7 4.634 5.266 1.073 1.00 0.27 C ATOM 130 C GLY A 7 3.366 6.035 0.688 1.00 0.23 C ATOM 131 O GLY A 7 2.369 5.959 1.399 1.00 0.29 O ATOM 132 H GLY A 7 5.775 3.829 -0.032 1.00 0.36 H ATOM 133 HA2 GLY A 7 4.553 4.983 2.123 1.00 0.34 H ATOM 134 HA3 GLY A 7 5.498 5.922 0.965 1.00 0.30 H ATOM 135 N PRO A 8 3.358 6.763 -0.438 1.00 0.27 N ATOM 136 CA PRO A 8 2.168 7.431 -0.952 1.00 0.35 C ATOM 137 C PRO A 8 1.288 6.452 -1.746 1.00 0.43 C ATOM 138 O PRO A 8 0.581 6.851 -2.670 1.00 0.78 O ATOM 139 CB PRO A 8 2.730 8.533 -1.855 1.00 0.42 C ATOM 140 CG PRO A 8 3.961 7.858 -2.459 1.00 0.41 C ATOM 141 CD PRO A 8 4.503 7.034 -1.289 1.00 0.32 C ATOM 142 HA PRO A 8 1.583 7.870 -0.142 1.00 0.37 H ATOM 143 HB2 PRO A 8 2.026 8.865 -2.620 1.00 0.52 H ATOM 144 HB3 PRO A 8 3.042 9.379 -1.241 1.00 0.40 H ATOM 145 HG2 PRO A 8 3.655 7.195 -3.269 1.00 0.45 H ATOM 146 HG3 PRO A 8 4.690 8.588 -2.813 1.00 0.46 H ATOM 147 HD2 PRO A 8 4.947 6.111 -1.656 1.00 0.37 H ATOM 148 HD3 PRO A 8 5.237 7.618 -0.735 1.00 0.32 H ATOM 149 N GLY A 9 1.339 5.163 -1.418 1.00 0.25 N ATOM 150 CA GLY A 9 0.565 4.126 -2.066 1.00 0.30 C ATOM 151 C GLY A 9 -0.600 3.758 -1.162 1.00 0.30 C ATOM 152 O GLY A 9 -0.719 4.252 -0.043 1.00 0.52 O ATOM 153 H GLY A 9 1.786 4.892 -0.553 1.00 0.36 H ATOM 154 HA2 GLY A 9 0.189 4.478 -3.028 1.00 0.44 H ATOM 155 HA3 GLY A 9 1.197 3.253 -2.220 1.00 0.33 H ATOM 156 N ARG A 10 -1.470 2.870 -1.639 1.00 0.40 N ATOM 157 CA ARG A 10 -2.788 2.676 -1.032 1.00 0.50 C ATOM 158 C ARG A 10 -3.212 1.234 -0.826 1.00 0.38 C ATOM 159 O ARG A 10 -4.010 0.963 0.063 1.00 0.54 O ATOM 160 CB ARG A 10 -3.858 3.439 -1.808 1.00 0.90 C ATOM 161 CG ARG A 10 -3.578 3.752 -3.288 1.00 1.83 C ATOM 162 CD ARG A 10 -3.309 2.558 -4.221 1.00 2.01 C ATOM 163 NE ARG A 10 -4.347 1.515 -4.218 1.00 1.05 N ATOM 164 CZ ARG A 10 -5.534 1.603 -4.828 1.00 1.61 C ATOM 165 NH1 ARG A 10 -6.001 2.776 -5.255 1.00 2.15 N ATOM 166 NH2 ARG A 10 -6.250 0.505 -5.026 1.00 2.20 N ATOM 167 H ARG A 10 -1.259 2.481 -2.542 1.00 0.70 H ATOM 168 HA ARG A 10 -2.766 3.102 -0.028 1.00 0.57 H ATOM 169 HB2 ARG A 10 -4.817 2.930 -1.707 1.00 1.47 H ATOM 170 HB3 ARG A 10 -3.943 4.383 -1.288 1.00 0.50 H ATOM 171 HG2 ARG A 10 -4.426 4.320 -3.665 1.00 2.46 H ATOM 172 HG3 ARG A 10 -2.718 4.422 -3.344 1.00 2.78 H ATOM 173 HD2 ARG A 10 -3.196 2.934 -5.239 1.00 2.97 H ATOM 174 HD3 ARG A 10 -2.365 2.091 -3.957 1.00 2.88 H ATOM 175 HE ARG A 10 -4.060 0.594 -3.888 1.00 0.72 H ATOM 176 HH11 ARG A 10 -5.430 3.601 -5.182 1.00 2.19 H ATOM 177 HH12 ARG A 10 -6.886 2.849 -5.731 1.00 2.77 H ATOM 178 HH21 ARG A 10 -5.727 -0.365 -5.150 1.00 1.90 H ATOM 179 HH22 ARG A 10 -7.160 0.510 -5.453 1.00 2.95 H ATOM 180 N ALA A 11 -2.714 0.346 -1.678 1.00 0.21 N ATOM 181 CA ALA A 11 -2.864 -1.103 -1.656 1.00 0.24 C ATOM 182 C ALA A 11 -2.545 -1.624 -3.042 1.00 0.39 C ATOM 183 O ALA A 11 -2.581 -0.856 -4.001 1.00 0.54 O ATOM 184 CB ALA A 11 -4.275 -1.519 -1.256 1.00 0.41 C ATOM 185 H ALA A 11 -2.190 0.724 -2.445 1.00 0.26 H ATOM 186 HA ALA A 11 -2.154 -1.538 -0.957 1.00 0.26 H ATOM 187 HB1 ALA A 11 -4.384 -1.389 -0.179 1.00 1.61 H ATOM 188 HB2 ALA A 11 -4.982 -0.898 -1.813 1.00 1.60 H ATOM 189 HB3 ALA A 11 -4.439 -2.570 -1.489 1.00 1.28 H ATOM 190 N PHE A 12 -2.275 -2.925 -3.130 1.00 0.58 N ATOM 191 CA PHE A 12 -1.992 -3.610 -4.381 1.00 0.78 C ATOM 192 C PHE A 12 -3.226 -3.954 -5.209 1.00 0.85 C ATOM 193 O PHE A 12 -3.095 -4.510 -6.294 1.00 1.19 O ATOM 194 CB PHE A 12 -1.193 -4.873 -4.072 1.00 1.04 C ATOM 195 CG PHE A 12 -1.791 -5.790 -3.017 1.00 1.19 C ATOM 196 CD1 PHE A 12 -2.977 -6.502 -3.284 1.00 2.29 C ATOM 197 CD2 PHE A 12 -1.147 -5.952 -1.776 1.00 1.88 C ATOM 198 CE1 PHE A 12 -3.523 -7.355 -2.311 1.00 2.49 C ATOM 199 CE2 PHE A 12 -1.680 -6.827 -0.813 1.00 2.07 C ATOM 200 CZ PHE A 12 -2.872 -7.523 -1.077 1.00 1.77 C ATOM 201 H PHE A 12 -2.218 -3.475 -2.286 1.00 0.68 H ATOM 202 HA PHE A 12 -1.404 -2.946 -5.003 1.00 0.87 H ATOM 203 HB2 PHE A 12 -1.088 -5.434 -4.996 1.00 1.18 H ATOM 204 HB3 PHE A 12 -0.207 -4.556 -3.746 1.00 1.14 H ATOM 205 HD1 PHE A 12 -3.464 -6.416 -4.244 1.00 3.37 H ATOM 206 HD2 PHE A 12 -0.222 -5.429 -1.574 1.00 2.90 H ATOM 207 HE1 PHE A 12 -4.428 -7.904 -2.527 1.00 3.62 H ATOM 208 HE2 PHE A 12 -1.160 -6.992 0.116 1.00 3.10 H ATOM 209 HZ PHE A 12 -3.277 -8.206 -0.344 1.00 2.04 H ATOM 210 N TYR A 13 -4.406 -3.653 -4.680 1.00 0.88 N ATOM 211 CA TYR A 13 -5.641 -3.655 -5.454 1.00 1.21 C ATOM 212 C TYR A 13 -5.457 -2.764 -6.676 1.00 2.08 C ATOM 213 O TYR A 13 -5.777 -3.222 -7.790 1.00 2.54 O ATOM 214 CB TYR A 13 -6.802 -3.058 -4.661 1.00 1.24 C ATOM 215 CG TYR A 13 -7.171 -3.677 -3.341 1.00 1.33 C ATOM 216 CD1 TYR A 13 -7.436 -5.051 -3.253 1.00 2.10 C ATOM 217 CD2 TYR A 13 -7.411 -2.832 -2.247 1.00 2.30 C ATOM 218 CE1 TYR A 13 -8.015 -5.575 -2.083 1.00 2.62 C ATOM 219 CE2 TYR A 13 -7.998 -3.343 -1.081 1.00 2.69 C ATOM 220 CZ TYR A 13 -8.322 -4.716 -1.001 1.00 2.48 C ATOM 221 OH TYR A 13 -8.950 -5.191 0.113 1.00 3.15 O ATOM 222 OXT TYR A 13 -5.096 -1.589 -6.427 1.00 2.81 O ATOM 223 H TYR A 13 -4.362 -3.269 -3.760 1.00 0.97 H ATOM 224 HA TYR A 13 -5.882 -4.671 -5.767 1.00 1.50 H ATOM 225 HB2 TYR A 13 -6.589 -2.010 -4.483 1.00 1.48 H ATOM 226 HB3 TYR A 13 -7.688 -3.095 -5.300 1.00 1.55 H ATOM 227 HD1 TYR A 13 -7.234 -5.682 -4.106 1.00 2.91 H ATOM 228 HD2 TYR A 13 -7.198 -1.776 -2.335 1.00 3.23 H ATOM 229 HE1 TYR A 13 -8.247 -6.628 -2.055 1.00 3.65 H ATOM 230 HE2 TYR A 13 -8.254 -2.674 -0.279 1.00 3.69 H ATOM 231 HH TYR A 13 -9.444 -5.995 -0.070 1.00 3.66 H TER 232 TYR A 13 ENDMDL MODEL 13 ATOM 1 N ARG A 1 -6.107 -10.326 7.822 1.00 5.07 N ATOM 2 CA ARG A 1 -4.964 -10.108 6.913 1.00 4.42 C ATOM 3 C ARG A 1 -4.870 -8.613 6.654 1.00 2.87 C ATOM 4 O ARG A 1 -5.909 -7.993 6.459 1.00 3.26 O ATOM 5 CB ARG A 1 -5.136 -10.870 5.584 1.00 5.56 C ATOM 6 CG ARG A 1 -5.022 -12.390 5.772 1.00 7.06 C ATOM 7 CD ARG A 1 -5.178 -13.162 4.453 1.00 8.27 C ATOM 8 NE ARG A 1 -3.985 -13.068 3.596 1.00 9.11 N ATOM 9 CZ ARG A 1 -3.697 -13.906 2.588 1.00 10.52 C ATOM 10 NH1 ARG A 1 -4.556 -14.867 2.245 1.00 11.20 N ATOM 11 NH2 ARG A 1 -2.546 -13.785 1.924 1.00 11.52 N ATOM 12 H1 ARG A 1 -6.934 -9.919 7.402 1.00 5.24 H ATOM 13 H2 ARG A 1 -6.251 -11.310 7.996 1.00 6.13 H ATOM 14 H3 ARG A 1 -5.937 -9.849 8.697 1.00 4.61 H ATOM 15 HA ARG A 1 -4.047 -10.444 7.396 1.00 4.67 H ATOM 16 HB2 ARG A 1 -6.111 -10.632 5.155 1.00 6.04 H ATOM 17 HB3 ARG A 1 -4.365 -10.542 4.886 1.00 5.25 H ATOM 18 HG2 ARG A 1 -4.057 -12.634 6.219 1.00 7.07 H ATOM 19 HG3 ARG A 1 -5.808 -12.724 6.450 1.00 7.63 H ATOM 20 HD2 ARG A 1 -5.349 -14.210 4.701 1.00 8.71 H ATOM 21 HD3 ARG A 1 -6.048 -12.787 3.913 1.00 8.51 H ATOM 22 HE ARG A 1 -3.334 -12.329 3.816 1.00 8.82 H ATOM 23 HH11 ARG A 1 -5.437 -14.954 2.725 1.00 10.74 H ATOM 24 HH12 ARG A 1 -4.365 -15.519 1.499 1.00 12.35 H ATOM 25 HH21 ARG A 1 -1.870 -13.075 2.163 1.00 11.29 H ATOM 26 HH22 ARG A 1 -2.306 -14.409 1.168 1.00 12.69 H ATOM 27 N LYS A 2 -3.671 -8.028 6.692 1.00 1.79 N ATOM 28 CA LYS A 2 -3.479 -6.641 6.279 1.00 0.68 C ATOM 29 C LYS A 2 -3.157 -6.622 4.787 1.00 0.78 C ATOM 30 O LYS A 2 -2.878 -7.671 4.209 1.00 1.93 O ATOM 31 CB LYS A 2 -2.372 -5.969 7.108 1.00 2.07 C ATOM 32 CG LYS A 2 -1.079 -6.794 7.164 1.00 3.69 C ATOM 33 CD LYS A 2 0.095 -5.957 7.681 1.00 5.31 C ATOM 34 CE LYS A 2 0.653 -5.067 6.563 1.00 6.83 C ATOM 35 NZ LYS A 2 1.929 -4.429 6.952 1.00 8.41 N ATOM 36 H LYS A 2 -2.838 -8.589 6.786 1.00 2.53 H ATOM 37 HA LYS A 2 -4.405 -6.087 6.435 1.00 1.22 H ATOM 38 HB2 LYS A 2 -2.161 -4.986 6.687 1.00 2.47 H ATOM 39 HB3 LYS A 2 -2.734 -5.822 8.127 1.00 2.84 H ATOM 40 HG2 LYS A 2 -1.228 -7.635 7.840 1.00 3.82 H ATOM 41 HG3 LYS A 2 -0.829 -7.179 6.176 1.00 4.35 H ATOM 42 HD2 LYS A 2 -0.238 -5.345 8.522 1.00 5.24 H ATOM 43 HD3 LYS A 2 0.876 -6.637 8.023 1.00 6.27 H ATOM 44 HE2 LYS A 2 0.816 -5.682 5.674 1.00 7.45 H ATOM 45 HE3 LYS A 2 -0.082 -4.302 6.303 1.00 6.73 H ATOM 46 HZ1 LYS A 2 2.624 -5.134 7.158 1.00 9.14 H ATOM 47 HZ2 LYS A 2 2.267 -3.852 6.193 1.00 9.02 H ATOM 48 HZ3 LYS A 2 1.798 -3.847 7.769 1.00 8.53 H ATOM 49 N ARG A 3 -3.158 -5.434 4.176 1.00 0.63 N ATOM 50 CA ARG A 3 -2.650 -5.241 2.821 1.00 0.54 C ATOM 51 C ARG A 3 -1.257 -4.619 2.913 1.00 0.43 C ATOM 52 O ARG A 3 -0.790 -4.335 4.019 1.00 0.61 O ATOM 53 CB ARG A 3 -3.627 -4.394 1.986 1.00 0.68 C ATOM 54 CG ARG A 3 -3.807 -2.961 2.511 1.00 2.59 C ATOM 55 CD ARG A 3 -5.213 -2.724 3.061 1.00 3.03 C ATOM 56 NE ARG A 3 -5.298 -1.405 3.704 1.00 4.68 N ATOM 57 CZ ARG A 3 -6.430 -0.801 4.090 1.00 5.44 C ATOM 58 NH1 ARG A 3 -7.614 -1.347 3.808 1.00 4.89 N ATOM 59 NH2 ARG A 3 -6.375 0.348 4.766 1.00 7.08 N ATOM 60 H ARG A 3 -3.294 -4.607 4.737 1.00 1.53 H ATOM 61 HA ARG A 3 -2.554 -6.216 2.342 1.00 0.56 H ATOM 62 HB2 ARG A 3 -3.253 -4.343 0.962 1.00 1.32 H ATOM 63 HB3 ARG A 3 -4.594 -4.897 1.951 1.00 1.90 H ATOM 64 HG2 ARG A 3 -3.078 -2.746 3.292 1.00 3.76 H ATOM 65 HG3 ARG A 3 -3.648 -2.263 1.689 1.00 3.47 H ATOM 66 HD2 ARG A 3 -5.923 -2.781 2.235 1.00 2.78 H ATOM 67 HD3 ARG A 3 -5.451 -3.496 3.794 1.00 3.24 H ATOM 68 HE ARG A 3 -4.410 -0.933 3.828 1.00 5.50 H ATOM 69 HH11 ARG A 3 -7.657 -2.206 3.282 1.00 4.00 H ATOM 70 HH12 ARG A 3 -8.484 -0.908 4.068 1.00 5.65 H ATOM 71 HH21 ARG A 3 -5.487 0.767 5.000 1.00 7.84 H ATOM 72 HH22 ARG A 3 -7.209 0.825 5.072 1.00 7.75 H ATOM 73 N ILE A 4 -0.592 -4.419 1.771 1.00 0.34 N ATOM 74 CA ILE A 4 0.728 -3.809 1.718 1.00 0.28 C ATOM 75 C ILE A 4 0.762 -2.882 0.521 1.00 0.25 C ATOM 76 O ILE A 4 0.036 -3.100 -0.452 1.00 0.30 O ATOM 77 CB ILE A 4 1.893 -4.811 1.656 1.00 0.38 C ATOM 78 CG1 ILE A 4 1.627 -6.095 2.443 1.00 0.52 C ATOM 79 CG2 ILE A 4 3.149 -4.184 2.270 1.00 0.45 C ATOM 80 CD1 ILE A 4 0.733 -7.037 1.652 1.00 0.60 C ATOM 81 H ILE A 4 -1.017 -4.620 0.877 1.00 0.44 H ATOM 82 HA ILE A 4 0.838 -3.223 2.616 1.00 0.30 H ATOM 83 HB ILE A 4 2.115 -5.059 0.616 1.00 0.41 H ATOM 84 HG12 ILE A 4 2.571 -6.605 2.626 1.00 0.64 H ATOM 85 HG13 ILE A 4 1.163 -5.842 3.395 1.00 0.54 H ATOM 86 HG21 ILE A 4 3.439 -3.288 1.725 1.00 1.40 H ATOM 87 HG22 ILE A 4 2.969 -3.941 3.316 1.00 1.35 H ATOM 88 HG23 ILE A 4 3.972 -4.897 2.206 1.00 1.27 H ATOM 89 HD11 ILE A 4 -0.302 -6.844 1.900 1.00 1.27 H ATOM 90 HD12 ILE A 4 0.892 -6.870 0.589 1.00 1.46 H ATOM 91 HD13 ILE A 4 0.977 -8.066 1.906 1.00 1.37 H ATOM 92 N HIS A 5 1.527 -1.802 0.627 1.00 0.22 N ATOM 93 CA HIS A 5 1.593 -0.813 -0.414 1.00 0.20 C ATOM 94 C HIS A 5 2.877 -0.003 -0.261 1.00 0.22 C ATOM 95 O HIS A 5 3.670 -0.232 0.650 1.00 0.27 O ATOM 96 CB HIS A 5 0.346 0.073 -0.425 1.00 0.19 C ATOM 97 CG HIS A 5 -0.426 0.170 0.870 1.00 0.28 C ATOM 98 ND1 HIS A 5 -0.547 1.293 1.653 1.00 0.38 N ATOM 99 CD2 HIS A 5 -1.253 -0.790 1.396 1.00 0.33 C ATOM 100 CE1 HIS A 5 -1.434 1.013 2.623 1.00 0.47 C ATOM 101 NE2 HIS A 5 -1.864 -0.258 2.537 1.00 0.42 N ATOM 102 H HIS A 5 2.127 -1.620 1.420 1.00 0.25 H ATOM 103 HA HIS A 5 1.602 -1.347 -1.359 1.00 0.26 H ATOM 104 HB2 HIS A 5 0.612 1.073 -0.747 1.00 0.24 H ATOM 105 HB3 HIS A 5 -0.293 -0.327 -1.201 1.00 0.19 H ATOM 106 HD1 HIS A 5 -0.124 2.200 1.466 1.00 0.40 H ATOM 107 HD2 HIS A 5 -1.448 -1.755 0.942 1.00 0.36 H ATOM 108 HE1 HIS A 5 -1.808 1.743 3.326 1.00 0.59 H ATOM 109 N ILE A 6 3.064 0.926 -1.191 1.00 0.23 N ATOM 110 CA ILE A 6 4.174 1.848 -1.285 1.00 0.27 C ATOM 111 C ILE A 6 3.858 3.033 -0.373 1.00 0.23 C ATOM 112 O ILE A 6 2.725 3.164 0.082 1.00 0.17 O ATOM 113 CB ILE A 6 4.336 2.255 -2.761 1.00 0.35 C ATOM 114 CG1 ILE A 6 4.436 0.982 -3.619 1.00 0.43 C ATOM 115 CG2 ILE A 6 5.614 3.074 -3.007 1.00 0.43 C ATOM 116 CD1 ILE A 6 3.085 0.370 -4.039 1.00 0.41 C ATOM 117 H ILE A 6 2.315 1.071 -1.845 1.00 0.23 H ATOM 118 HA ILE A 6 5.085 1.347 -0.961 1.00 0.33 H ATOM 119 HB ILE A 6 3.476 2.845 -3.083 1.00 0.32 H ATOM 120 HG12 ILE A 6 4.974 1.238 -4.524 1.00 0.51 H ATOM 121 HG13 ILE A 6 5.040 0.248 -3.085 1.00 0.45 H ATOM 122 HG21 ILE A 6 5.532 4.063 -2.566 1.00 1.29 H ATOM 123 HG22 ILE A 6 6.482 2.552 -2.604 1.00 1.38 H ATOM 124 HG23 ILE A 6 5.760 3.228 -4.077 1.00 1.65 H ATOM 125 HD11 ILE A 6 2.362 1.157 -4.255 1.00 1.61 H ATOM 126 HD12 ILE A 6 3.230 -0.233 -4.935 1.00 1.52 H ATOM 127 HD13 ILE A 6 2.670 -0.281 -3.268 1.00 1.52 H ATOM 128 N GLY A 7 4.843 3.900 -0.140 1.00 0.29 N ATOM 129 CA GLY A 7 4.739 5.095 0.700 1.00 0.31 C ATOM 130 C GLY A 7 3.428 5.867 0.505 1.00 0.27 C ATOM 131 O GLY A 7 2.545 5.794 1.354 1.00 0.27 O ATOM 132 H GLY A 7 5.728 3.677 -0.574 1.00 0.35 H ATOM 133 HA2 GLY A 7 4.800 4.788 1.745 1.00 0.34 H ATOM 134 HA3 GLY A 7 5.579 5.757 0.494 1.00 0.36 H ATOM 135 N PRO A 8 3.267 6.607 -0.601 1.00 0.28 N ATOM 136 CA PRO A 8 2.034 7.317 -0.918 1.00 0.28 C ATOM 137 C PRO A 8 1.015 6.403 -1.618 1.00 0.31 C ATOM 138 O PRO A 8 0.125 6.885 -2.315 1.00 0.55 O ATOM 139 CB PRO A 8 2.491 8.444 -1.850 1.00 0.33 C ATOM 140 CG PRO A 8 3.618 7.778 -2.638 1.00 0.35 C ATOM 141 CD PRO A 8 4.295 6.903 -1.582 1.00 0.33 C ATOM 142 HA PRO A 8 1.582 7.737 -0.018 1.00 0.30 H ATOM 143 HB2 PRO A 8 1.697 8.809 -2.503 1.00 0.36 H ATOM 144 HB3 PRO A 8 2.896 9.263 -1.257 1.00 0.35 H ATOM 145 HG2 PRO A 8 3.196 7.147 -3.424 1.00 0.36 H ATOM 146 HG3 PRO A 8 4.307 8.511 -3.060 1.00 0.41 H ATOM 147 HD2 PRO A 8 4.679 5.993 -2.038 1.00 0.35 H ATOM 148 HD3 PRO A 8 5.102 7.461 -1.106 1.00 0.36 H ATOM 149 N GLY A 9 1.135 5.083 -1.473 1.00 0.21 N ATOM 150 CA GLY A 9 0.244 4.125 -2.098 1.00 0.25 C ATOM 151 C GLY A 9 -0.740 3.625 -1.050 1.00 0.20 C ATOM 152 O GLY A 9 -0.443 3.654 0.141 1.00 0.46 O ATOM 153 H GLY A 9 1.752 4.716 -0.761 1.00 0.32 H ATOM 154 HA2 GLY A 9 -0.292 4.585 -2.928 1.00 0.33 H ATOM 155 HA3 GLY A 9 0.832 3.285 -2.468 1.00 0.31 H ATOM 156 N ARG A 10 -1.908 3.137 -1.478 1.00 0.41 N ATOM 157 CA ARG A 10 -2.931 2.691 -0.532 1.00 0.35 C ATOM 158 C ARG A 10 -3.130 1.191 -0.495 1.00 0.26 C ATOM 159 O ARG A 10 -3.719 0.685 0.452 1.00 0.36 O ATOM 160 CB ARG A 10 -4.264 3.382 -0.768 1.00 0.62 C ATOM 161 CG ARG A 10 -5.093 2.828 -1.935 1.00 1.38 C ATOM 162 CD ARG A 10 -4.560 3.206 -3.321 1.00 1.53 C ATOM 163 NE ARG A 10 -3.862 2.133 -4.052 1.00 1.32 N ATOM 164 CZ ARG A 10 -3.474 2.269 -5.330 1.00 2.44 C ATOM 165 NH1 ARG A 10 -3.497 3.464 -5.920 1.00 3.23 N ATOM 166 NH2 ARG A 10 -3.075 1.219 -6.033 1.00 2.99 N ATOM 167 H ARG A 10 -2.116 3.160 -2.464 1.00 0.75 H ATOM 168 HA ARG A 10 -2.631 2.977 0.472 1.00 0.37 H ATOM 169 HB2 ARG A 10 -4.833 3.225 0.146 1.00 1.11 H ATOM 170 HB3 ARG A 10 -4.102 4.453 -0.891 1.00 0.45 H ATOM 171 HG2 ARG A 10 -5.215 1.751 -1.847 1.00 2.28 H ATOM 172 HG3 ARG A 10 -6.084 3.269 -1.840 1.00 2.62 H ATOM 173 HD2 ARG A 10 -5.427 3.473 -3.922 1.00 2.35 H ATOM 174 HD3 ARG A 10 -3.910 4.073 -3.225 1.00 2.52 H ATOM 175 HE ARG A 10 -3.874 1.193 -3.672 1.00 0.82 H ATOM 176 HH11 ARG A 10 -3.806 4.283 -5.422 1.00 3.01 H ATOM 177 HH12 ARG A 10 -3.211 3.567 -6.881 1.00 4.15 H ATOM 178 HH21 ARG A 10 -3.120 0.262 -5.666 1.00 2.39 H ATOM 179 HH22 ARG A 10 -2.974 1.194 -7.036 1.00 3.82 H ATOM 180 N ALA A 11 -2.725 0.511 -1.563 1.00 0.26 N ATOM 181 CA ALA A 11 -2.756 -0.933 -1.716 1.00 0.30 C ATOM 182 C ALA A 11 -2.163 -1.286 -3.070 1.00 0.46 C ATOM 183 O ALA A 11 -2.181 -0.447 -3.967 1.00 0.68 O ATOM 184 CB ALA A 11 -4.183 -1.442 -1.631 1.00 0.51 C ATOM 185 H ALA A 11 -2.286 1.030 -2.305 1.00 0.31 H ATOM 186 HA ALA A 11 -2.171 -1.409 -0.940 1.00 0.32 H ATOM 187 HB1 ALA A 11 -4.789 -0.939 -2.390 1.00 1.77 H ATOM 188 HB2 ALA A 11 -4.175 -2.522 -1.769 1.00 1.34 H ATOM 189 HB3 ALA A 11 -4.564 -1.246 -0.631 1.00 1.29 H ATOM 190 N PHE A 12 -1.679 -2.520 -3.212 1.00 0.54 N ATOM 191 CA PHE A 12 -1.130 -3.041 -4.460 1.00 0.79 C ATOM 192 C PHE A 12 -2.163 -3.265 -5.563 1.00 1.03 C ATOM 193 O PHE A 12 -1.790 -3.556 -6.696 1.00 1.37 O ATOM 194 CB PHE A 12 -0.390 -4.350 -4.175 1.00 0.78 C ATOM 195 CG PHE A 12 -1.205 -5.402 -3.442 1.00 0.76 C ATOM 196 CD1 PHE A 12 -2.251 -6.080 -4.097 1.00 2.16 C ATOM 197 CD2 PHE A 12 -0.922 -5.703 -2.096 1.00 2.01 C ATOM 198 CE1 PHE A 12 -3.027 -7.022 -3.403 1.00 2.55 C ATOM 199 CE2 PHE A 12 -1.701 -6.644 -1.401 1.00 2.01 C ATOM 200 CZ PHE A 12 -2.760 -7.298 -2.051 1.00 1.56 C ATOM 201 H PHE A 12 -1.647 -3.129 -2.405 1.00 0.52 H ATOM 202 HA PHE A 12 -0.440 -2.306 -4.850 1.00 1.04 H ATOM 203 HB2 PHE A 12 -0.061 -4.767 -5.125 1.00 0.91 H ATOM 204 HB3 PHE A 12 0.494 -4.111 -3.588 1.00 1.00 H ATOM 205 HD1 PHE A 12 -2.463 -5.887 -5.140 1.00 3.42 H ATOM 206 HD2 PHE A 12 -0.096 -5.220 -1.599 1.00 3.44 H ATOM 207 HE1 PHE A 12 -3.826 -7.537 -3.915 1.00 4.02 H ATOM 208 HE2 PHE A 12 -1.478 -6.879 -0.371 1.00 3.25 H ATOM 209 HZ PHE A 12 -3.357 -8.024 -1.521 1.00 1.96 H ATOM 210 N TYR A 13 -3.440 -3.193 -5.207 1.00 1.11 N ATOM 211 CA TYR A 13 -4.550 -3.256 -6.149 1.00 1.60 C ATOM 212 C TYR A 13 -4.376 -2.189 -7.223 1.00 2.55 C ATOM 213 O TYR A 13 -4.811 -2.446 -8.363 1.00 3.13 O ATOM 214 CB TYR A 13 -5.884 -3.024 -5.431 1.00 1.27 C ATOM 215 CG TYR A 13 -6.164 -3.916 -4.239 1.00 1.32 C ATOM 216 CD1 TYR A 13 -6.046 -5.313 -4.355 1.00 2.53 C ATOM 217 CD2 TYR A 13 -6.588 -3.348 -3.024 1.00 1.86 C ATOM 218 CE1 TYR A 13 -6.362 -6.144 -3.265 1.00 3.14 C ATOM 219 CE2 TYR A 13 -6.886 -4.168 -1.922 1.00 2.30 C ATOM 220 CZ TYR A 13 -6.781 -5.571 -2.040 1.00 2.65 C ATOM 221 OH TYR A 13 -7.097 -6.357 -0.975 1.00 3.44 O ATOM 222 OXT TYR A 13 -3.868 -1.106 -6.854 1.00 3.14 O ATOM 223 H TYR A 13 -3.593 -2.998 -4.238 1.00 1.04 H ATOM 224 HA TYR A 13 -4.552 -4.229 -6.639 1.00 2.03 H ATOM 225 HB2 TYR A 13 -5.915 -1.981 -5.110 1.00 1.38 H ATOM 226 HB3 TYR A 13 -6.687 -3.160 -6.156 1.00 1.55 H ATOM 227 HD1 TYR A 13 -5.726 -5.742 -5.293 1.00 3.40 H ATOM 228 HD2 TYR A 13 -6.701 -2.278 -2.942 1.00 2.75 H ATOM 229 HE1 TYR A 13 -6.286 -7.214 -3.377 1.00 4.35 H ATOM 230 HE2 TYR A 13 -7.221 -3.733 -0.993 1.00 3.11 H ATOM 231 HH TYR A 13 -7.160 -7.288 -1.199 1.00 4.24 H TER 232 TYR A 13 ENDMDL MODEL 14 ATOM 1 N ARG A 1 -3.172 -10.221 9.369 1.00 4.08 N ATOM 2 CA ARG A 1 -2.826 -9.966 7.956 1.00 3.72 C ATOM 3 C ARG A 1 -3.558 -8.709 7.511 1.00 2.45 C ATOM 4 O ARG A 1 -4.737 -8.575 7.824 1.00 2.79 O ATOM 5 CB ARG A 1 -3.208 -11.166 7.069 1.00 4.82 C ATOM 6 CG ARG A 1 -2.012 -12.093 6.821 1.00 6.00 C ATOM 7 CD ARG A 1 -1.081 -11.501 5.753 1.00 6.46 C ATOM 8 NE ARG A 1 0.169 -12.265 5.622 1.00 7.78 N ATOM 9 CZ ARG A 1 0.335 -13.414 4.950 1.00 9.10 C ATOM 10 NH1 ARG A 1 -0.692 -13.986 4.322 1.00 9.44 N ATOM 11 NH2 ARG A 1 1.537 -13.990 4.910 1.00 10.36 N ATOM 12 H1 ARG A 1 -4.179 -10.285 9.446 1.00 4.13 H ATOM 13 H2 ARG A 1 -2.748 -11.079 9.693 1.00 4.94 H ATOM 14 H3 ARG A 1 -2.860 -9.449 9.941 1.00 3.82 H ATOM 15 HA ARG A 1 -1.753 -9.791 7.874 1.00 4.09 H ATOM 16 HB2 ARG A 1 -4.009 -11.731 7.549 1.00 5.24 H ATOM 17 HB3 ARG A 1 -3.581 -10.818 6.103 1.00 4.84 H ATOM 18 HG2 ARG A 1 -1.465 -12.244 7.753 1.00 6.28 H ATOM 19 HG3 ARG A 1 -2.378 -13.060 6.474 1.00 6.94 H ATOM 20 HD2 ARG A 1 -1.598 -11.469 4.792 1.00 6.95 H ATOM 21 HD3 ARG A 1 -0.826 -10.478 6.029 1.00 5.98 H ATOM 22 HE ARG A 1 0.975 -11.843 6.060 1.00 7.88 H ATOM 23 HH11 ARG A 1 -1.600 -13.551 4.326 1.00 8.74 H ATOM 24 HH12 ARG A 1 -0.592 -14.852 3.812 1.00 10.58 H ATOM 25 HH21 ARG A 1 2.335 -13.577 5.372 1.00 10.41 H ATOM 26 HH22 ARG A 1 1.694 -14.854 4.413 1.00 11.43 H ATOM 27 N LYS A 2 -2.875 -7.793 6.820 1.00 1.65 N ATOM 28 CA LYS A 2 -3.445 -6.574 6.254 1.00 0.66 C ATOM 29 C LYS A 2 -2.844 -6.403 4.857 1.00 0.76 C ATOM 30 O LYS A 2 -1.944 -7.160 4.495 1.00 1.85 O ATOM 31 CB LYS A 2 -3.148 -5.368 7.166 1.00 1.68 C ATOM 32 CG LYS A 2 -4.009 -5.373 8.445 1.00 2.60 C ATOM 33 CD LYS A 2 -4.829 -4.083 8.578 1.00 3.76 C ATOM 34 CE LYS A 2 -5.718 -4.089 9.830 1.00 4.99 C ATOM 35 NZ LYS A 2 -6.812 -5.085 9.753 1.00 6.07 N ATOM 36 H LYS A 2 -1.920 -7.966 6.525 1.00 2.38 H ATOM 37 HA LYS A 2 -4.524 -6.691 6.148 1.00 1.00 H ATOM 38 HB2 LYS A 2 -2.091 -5.372 7.441 1.00 2.70 H ATOM 39 HB3 LYS A 2 -3.337 -4.447 6.615 1.00 2.41 H ATOM 40 HG2 LYS A 2 -4.698 -6.212 8.426 1.00 2.60 H ATOM 41 HG3 LYS A 2 -3.361 -5.479 9.317 1.00 3.51 H ATOM 42 HD2 LYS A 2 -4.142 -3.238 8.647 1.00 4.15 H ATOM 43 HD3 LYS A 2 -5.450 -3.951 7.692 1.00 4.06 H ATOM 44 HE2 LYS A 2 -5.098 -4.291 10.706 1.00 5.44 H ATOM 45 HE3 LYS A 2 -6.153 -3.093 9.946 1.00 5.52 H ATOM 46 HZ1 LYS A 2 -6.435 -6.020 9.693 1.00 6.32 H ATOM 47 HZ2 LYS A 2 -7.391 -5.021 10.581 1.00 6.90 H ATOM 48 HZ3 LYS A 2 -7.390 -4.905 8.944 1.00 6.46 H ATOM 49 N ARG A 3 -3.370 -5.473 4.053 1.00 0.60 N ATOM 50 CA ARG A 3 -2.824 -5.215 2.723 1.00 0.55 C ATOM 51 C ARG A 3 -1.472 -4.512 2.859 1.00 0.47 C ATOM 52 O ARG A 3 -1.113 -4.089 3.955 1.00 0.57 O ATOM 53 CB ARG A 3 -3.795 -4.383 1.868 1.00 0.68 C ATOM 54 CG ARG A 3 -5.099 -5.130 1.552 1.00 1.83 C ATOM 55 CD ARG A 3 -6.180 -4.947 2.630 1.00 2.33 C ATOM 56 NE ARG A 3 -6.582 -6.217 3.256 1.00 3.87 N ATOM 57 CZ ARG A 3 -7.598 -6.346 4.120 1.00 4.56 C ATOM 58 NH1 ARG A 3 -8.274 -5.268 4.521 1.00 4.03 N ATOM 59 NH2 ARG A 3 -7.934 -7.549 4.589 1.00 6.27 N ATOM 60 H ARG A 3 -4.041 -4.823 4.428 1.00 1.47 H ATOM 61 HA ARG A 3 -2.649 -6.174 2.232 1.00 0.56 H ATOM 62 HB2 ARG A 3 -4.009 -3.431 2.357 1.00 1.26 H ATOM 63 HB3 ARG A 3 -3.306 -4.163 0.918 1.00 1.27 H ATOM 64 HG2 ARG A 3 -5.496 -4.732 0.617 1.00 2.68 H ATOM 65 HG3 ARG A 3 -4.887 -6.187 1.391 1.00 2.69 H ATOM 66 HD2 ARG A 3 -5.825 -4.259 3.397 1.00 2.75 H ATOM 67 HD3 ARG A 3 -7.056 -4.503 2.153 1.00 2.74 H ATOM 68 HE ARG A 3 -6.097 -7.040 2.929 1.00 4.80 H ATOM 69 HH11 ARG A 3 -8.041 -4.362 4.140 1.00 3.45 H ATOM 70 HH12 ARG A 3 -9.079 -5.328 5.126 1.00 4.71 H ATOM 71 HH21 ARG A 3 -7.460 -8.384 4.274 1.00 7.20 H ATOM 72 HH22 ARG A 3 -8.714 -7.674 5.218 1.00 6.84 H ATOM 73 N ILE A 4 -0.727 -4.394 1.754 1.00 0.41 N ATOM 74 CA ILE A 4 0.596 -3.788 1.745 1.00 0.35 C ATOM 75 C ILE A 4 0.688 -2.888 0.529 1.00 0.30 C ATOM 76 O ILE A 4 0.012 -3.129 -0.474 1.00 0.31 O ATOM 77 CB ILE A 4 1.756 -4.799 1.761 1.00 0.44 C ATOM 78 CG1 ILE A 4 1.435 -6.082 2.530 1.00 0.58 C ATOM 79 CG2 ILE A 4 2.976 -4.178 2.444 1.00 0.51 C ATOM 80 CD1 ILE A 4 0.562 -7.003 1.691 1.00 0.66 C ATOM 81 H ILE A 4 -1.078 -4.688 0.855 1.00 0.46 H ATOM 82 HA ILE A 4 0.671 -3.185 2.636 1.00 0.36 H ATOM 83 HB ILE A 4 2.038 -5.051 0.737 1.00 0.44 H ATOM 84 HG12 ILE A 4 2.363 -6.609 2.747 1.00 0.69 H ATOM 85 HG13 ILE A 4 0.934 -5.832 3.465 1.00 0.60 H ATOM 86 HG21 ILE A 4 3.800 -4.891 2.419 1.00 1.60 H ATOM 87 HG22 ILE A 4 3.291 -3.275 1.926 1.00 1.46 H ATOM 88 HG23 ILE A 4 2.737 -3.947 3.483 1.00 1.62 H ATOM 89 HD11 ILE A 4 -0.478 -6.829 1.940 1.00 1.38 H ATOM 90 HD12 ILE A 4 0.727 -6.786 0.638 1.00 1.44 H ATOM 91 HD13 ILE A 4 0.815 -8.039 1.902 1.00 1.36 H ATOM 92 N HIS A 5 1.448 -1.806 0.647 1.00 0.26 N ATOM 93 CA HIS A 5 1.554 -0.825 -0.401 1.00 0.23 C ATOM 94 C HIS A 5 2.842 -0.029 -0.220 1.00 0.23 C ATOM 95 O HIS A 5 3.621 -0.276 0.698 1.00 0.28 O ATOM 96 CB HIS A 5 0.319 0.078 -0.451 1.00 0.20 C ATOM 97 CG HIS A 5 -0.493 0.192 0.819 1.00 0.29 C ATOM 98 ND1 HIS A 5 -0.636 1.323 1.586 1.00 0.37 N ATOM 99 CD2 HIS A 5 -1.327 -0.766 1.333 1.00 0.35 C ATOM 100 CE1 HIS A 5 -1.543 1.046 2.542 1.00 0.45 C ATOM 101 NE2 HIS A 5 -1.966 -0.226 2.449 1.00 0.42 N ATOM 102 H HIS A 5 2.008 -1.610 1.466 1.00 0.28 H ATOM 103 HA HIS A 5 1.584 -1.363 -1.342 1.00 0.28 H ATOM 104 HB2 HIS A 5 0.600 1.075 -0.772 1.00 0.23 H ATOM 105 HB3 HIS A 5 -0.302 -0.323 -1.243 1.00 0.19 H ATOM 106 HD1 HIS A 5 -0.207 2.229 1.415 1.00 0.39 H ATOM 107 HD2 HIS A 5 -1.502 -1.742 0.901 1.00 0.40 H ATOM 108 HE1 HIS A 5 -1.928 1.767 3.247 1.00 0.56 H ATOM 109 N ILE A 6 3.053 0.909 -1.135 1.00 0.22 N ATOM 110 CA ILE A 6 4.175 1.816 -1.190 1.00 0.24 C ATOM 111 C ILE A 6 3.840 3.002 -0.287 1.00 0.19 C ATOM 112 O ILE A 6 2.695 3.145 0.129 1.00 0.16 O ATOM 113 CB ILE A 6 4.392 2.219 -2.659 1.00 0.29 C ATOM 114 CG1 ILE A 6 4.515 0.946 -3.511 1.00 0.36 C ATOM 115 CG2 ILE A 6 5.686 3.027 -2.853 1.00 0.35 C ATOM 116 CD1 ILE A 6 3.177 0.309 -3.933 1.00 0.35 C ATOM 117 H ILE A 6 2.319 1.065 -1.804 1.00 0.23 H ATOM 118 HA ILE A 6 5.068 1.303 -0.840 1.00 0.30 H ATOM 119 HB ILE A 6 3.550 2.815 -3.014 1.00 0.26 H ATOM 120 HG12 ILE A 6 5.054 1.207 -4.413 1.00 0.44 H ATOM 121 HG13 ILE A 6 5.127 0.223 -2.970 1.00 0.38 H ATOM 122 HG21 ILE A 6 5.890 3.161 -3.916 1.00 1.64 H ATOM 123 HG22 ILE A 6 5.589 4.022 -2.431 1.00 1.45 H ATOM 124 HG23 ILE A 6 6.528 2.506 -2.396 1.00 1.62 H ATOM 125 HD11 ILE A 6 2.817 -0.403 -3.189 1.00 1.64 H ATOM 126 HD12 ILE A 6 2.416 1.077 -4.077 1.00 1.57 H ATOM 127 HD13 ILE A 6 3.316 -0.233 -4.868 1.00 1.52 H ATOM 128 N GLY A 7 4.822 3.865 -0.023 1.00 0.23 N ATOM 129 CA GLY A 7 4.698 5.057 0.820 1.00 0.24 C ATOM 130 C GLY A 7 3.394 5.837 0.602 1.00 0.22 C ATOM 131 O GLY A 7 2.510 5.795 1.452 1.00 0.24 O ATOM 132 H GLY A 7 5.720 3.637 -0.426 1.00 0.27 H ATOM 133 HA2 GLY A 7 4.732 4.744 1.864 1.00 0.26 H ATOM 134 HA3 GLY A 7 5.545 5.717 0.639 1.00 0.27 H ATOM 135 N PRO A 8 3.249 6.561 -0.518 1.00 0.25 N ATOM 136 CA PRO A 8 2.017 7.264 -0.862 1.00 0.27 C ATOM 137 C PRO A 8 0.986 6.339 -1.527 1.00 0.31 C ATOM 138 O PRO A 8 -0.018 6.809 -2.057 1.00 0.62 O ATOM 139 CB PRO A 8 2.468 8.366 -1.825 1.00 0.33 C ATOM 140 CG PRO A 8 3.663 7.742 -2.547 1.00 0.31 C ATOM 141 CD PRO A 8 4.287 6.820 -1.498 1.00 0.30 C ATOM 142 HA PRO A 8 1.569 7.712 0.026 1.00 0.29 H ATOM 143 HB2 PRO A 8 1.685 8.660 -2.525 1.00 0.38 H ATOM 144 HB3 PRO A 8 2.801 9.232 -1.251 1.00 0.33 H ATOM 145 HG2 PRO A 8 3.314 7.150 -3.393 1.00 0.32 H ATOM 146 HG3 PRO A 8 4.369 8.503 -2.878 1.00 0.33 H ATOM 147 HD2 PRO A 8 4.614 5.896 -1.968 1.00 0.35 H ATOM 148 HD3 PRO A 8 5.129 7.322 -1.018 1.00 0.36 H ATOM 149 N GLY A 9 1.223 5.028 -1.541 1.00 0.24 N ATOM 150 CA GLY A 9 0.313 4.062 -2.124 1.00 0.23 C ATOM 151 C GLY A 9 -0.706 3.629 -1.077 1.00 0.21 C ATOM 152 O GLY A 9 -0.460 3.733 0.122 1.00 0.41 O ATOM 153 H GLY A 9 1.964 4.658 -0.969 1.00 0.46 H ATOM 154 HA2 GLY A 9 -0.196 4.502 -2.982 1.00 0.29 H ATOM 155 HA3 GLY A 9 0.885 3.193 -2.449 1.00 0.28 H ATOM 156 N ARG A 10 -1.847 3.097 -1.522 1.00 0.36 N ATOM 157 CA ARG A 10 -2.915 2.682 -0.611 1.00 0.32 C ATOM 158 C ARG A 10 -3.165 1.190 -0.589 1.00 0.25 C ATOM 159 O ARG A 10 -3.860 0.704 0.293 1.00 0.31 O ATOM 160 CB ARG A 10 -4.212 3.417 -0.906 1.00 0.55 C ATOM 161 CG ARG A 10 -4.987 2.904 -2.126 1.00 1.27 C ATOM 162 CD ARG A 10 -4.354 3.271 -3.474 1.00 1.56 C ATOM 163 NE ARG A 10 -3.718 2.152 -4.193 1.00 1.44 N ATOM 164 CZ ARG A 10 -3.327 2.250 -5.475 1.00 2.58 C ATOM 165 NH1 ARG A 10 -3.297 3.437 -6.082 1.00 3.41 N ATOM 166 NH2 ARG A 10 -2.979 1.172 -6.162 1.00 3.09 N ATOM 167 H ARG A 10 -2.005 3.060 -2.517 1.00 0.64 H ATOM 168 HA ARG A 10 -2.644 2.956 0.405 1.00 0.35 H ATOM 169 HB2 ARG A 10 -4.837 3.265 -0.030 1.00 1.02 H ATOM 170 HB3 ARG A 10 -4.009 4.481 -1.008 1.00 0.43 H ATOM 171 HG2 ARG A 10 -5.149 1.831 -2.054 1.00 2.17 H ATOM 172 HG3 ARG A 10 -5.968 3.378 -2.088 1.00 2.48 H ATOM 173 HD2 ARG A 10 -5.162 3.631 -4.107 1.00 2.35 H ATOM 174 HD3 ARG A 10 -3.637 4.074 -3.327 1.00 2.55 H ATOM 175 HE ARG A 10 -3.752 1.222 -3.789 1.00 0.91 H ATOM 176 HH11 ARG A 10 -3.560 4.276 -5.593 1.00 3.21 H ATOM 177 HH12 ARG A 10 -3.008 3.511 -7.046 1.00 4.33 H ATOM 178 HH21 ARG A 10 -3.036 0.224 -5.779 1.00 2.47 H ATOM 179 HH22 ARG A 10 -2.873 1.117 -7.165 1.00 3.92 H ATOM 180 N ALA A 11 -2.675 0.496 -1.611 1.00 0.25 N ATOM 181 CA ALA A 11 -2.759 -0.943 -1.788 1.00 0.31 C ATOM 182 C ALA A 11 -2.185 -1.297 -3.147 1.00 0.45 C ATOM 183 O ALA A 11 -2.198 -0.453 -4.040 1.00 0.67 O ATOM 184 CB ALA A 11 -4.206 -1.391 -1.700 1.00 0.57 C ATOM 185 H ALA A 11 -2.173 1.011 -2.311 1.00 0.30 H ATOM 186 HA ALA A 11 -2.186 -1.459 -1.026 1.00 0.30 H ATOM 187 HB1 ALA A 11 -4.300 -2.393 -2.112 1.00 1.77 H ATOM 188 HB2 ALA A 11 -4.483 -1.431 -0.647 1.00 1.49 H ATOM 189 HB3 ALA A 11 -4.823 -0.673 -2.250 1.00 2.09 H ATOM 190 N PHE A 12 -1.720 -2.537 -3.298 1.00 0.50 N ATOM 191 CA PHE A 12 -1.171 -3.056 -4.545 1.00 0.74 C ATOM 192 C PHE A 12 -2.197 -3.302 -5.647 1.00 1.01 C ATOM 193 O PHE A 12 -1.821 -3.673 -6.756 1.00 1.33 O ATOM 194 CB PHE A 12 -0.414 -4.352 -4.250 1.00 0.74 C ATOM 195 CG PHE A 12 -1.221 -5.399 -3.500 1.00 0.76 C ATOM 196 CD1 PHE A 12 -2.298 -6.054 -4.129 1.00 2.19 C ATOM 197 CD2 PHE A 12 -0.912 -5.702 -2.161 1.00 1.98 C ATOM 198 CE1 PHE A 12 -3.086 -6.967 -3.410 1.00 2.59 C ATOM 199 CE2 PHE A 12 -1.696 -6.623 -1.444 1.00 2.00 C ATOM 200 CZ PHE A 12 -2.790 -7.249 -2.065 1.00 1.59 C ATOM 201 H PHE A 12 -1.695 -3.153 -2.497 1.00 0.49 H ATOM 202 HA PHE A 12 -0.493 -2.311 -4.942 1.00 0.98 H ATOM 203 HB2 PHE A 12 -0.088 -4.776 -5.196 1.00 0.88 H ATOM 204 HB3 PHE A 12 0.465 -4.092 -3.666 1.00 0.95 H ATOM 205 HD1 PHE A 12 -2.529 -5.863 -5.166 1.00 3.46 H ATOM 206 HD2 PHE A 12 -0.065 -5.233 -1.684 1.00 3.40 H ATOM 207 HE1 PHE A 12 -3.918 -7.456 -3.897 1.00 4.06 H ATOM 208 HE2 PHE A 12 -1.452 -6.863 -0.421 1.00 3.23 H ATOM 209 HZ PHE A 12 -3.393 -7.958 -1.518 1.00 1.99 H ATOM 210 N TYR A 13 -3.475 -3.153 -5.318 1.00 1.16 N ATOM 211 CA TYR A 13 -4.563 -3.155 -6.288 1.00 1.71 C ATOM 212 C TYR A 13 -4.244 -2.191 -7.426 1.00 2.65 C ATOM 213 O TYR A 13 -4.658 -2.493 -8.564 1.00 3.23 O ATOM 214 CB TYR A 13 -5.875 -2.709 -5.637 1.00 1.51 C ATOM 215 CG TYR A 13 -6.400 -3.558 -4.497 1.00 1.40 C ATOM 216 CD1 TYR A 13 -6.699 -4.915 -4.700 1.00 2.62 C ATOM 217 CD2 TYR A 13 -6.681 -2.958 -3.257 1.00 2.35 C ATOM 218 CE1 TYR A 13 -7.305 -5.669 -3.676 1.00 3.16 C ATOM 219 CE2 TYR A 13 -7.265 -3.705 -2.219 1.00 2.55 C ATOM 220 CZ TYR A 13 -7.596 -5.061 -2.431 1.00 2.45 C ATOM 221 OH TYR A 13 -8.211 -5.760 -1.436 1.00 3.15 O ATOM 222 OXT TYR A 13 -3.654 -1.132 -7.113 1.00 3.21 O ATOM 223 H TYR A 13 -3.633 -2.932 -4.357 1.00 1.11 H ATOM 224 HA TYR A 13 -4.672 -4.155 -6.708 1.00 2.05 H ATOM 225 HB2 TYR A 13 -5.747 -1.682 -5.293 1.00 1.59 H ATOM 226 HB3 TYR A 13 -6.642 -2.689 -6.413 1.00 1.90 H ATOM 227 HD1 TYR A 13 -6.483 -5.365 -5.659 1.00 3.77 H ATOM 228 HD2 TYR A 13 -6.467 -1.912 -3.119 1.00 3.64 H ATOM 229 HE1 TYR A 13 -7.554 -6.703 -3.858 1.00 4.61 H ATOM 230 HE2 TYR A 13 -7.494 -3.236 -1.274 1.00 3.70 H ATOM 231 HH TYR A 13 -8.611 -6.576 -1.746 1.00 3.86 H TER 232 TYR A 13 ENDMDL MODEL 15 ATOM 1 N ARG A 1 -3.257 -3.490 9.948 1.00 6.04 N ATOM 2 CA ARG A 1 -3.210 -2.957 8.572 1.00 6.02 C ATOM 3 C ARG A 1 -3.841 -3.960 7.612 1.00 4.07 C ATOM 4 O ARG A 1 -5.031 -3.818 7.369 1.00 4.35 O ATOM 5 CB ARG A 1 -1.808 -2.473 8.158 1.00 7.41 C ATOM 6 CG ARG A 1 -1.544 -1.101 8.800 1.00 9.44 C ATOM 7 CD ARG A 1 -0.342 -0.364 8.189 1.00 11.10 C ATOM 8 NE ARG A 1 -0.536 1.096 8.251 1.00 12.80 N ATOM 9 CZ ARG A 1 0.388 2.036 8.017 1.00 14.49 C ATOM 10 NH1 ARG A 1 1.657 1.697 7.789 1.00 14.90 N ATOM 11 NH2 ARG A 1 0.037 3.324 8.010 1.00 16.01 N ATOM 12 H1 ARG A 1 -2.677 -4.314 10.020 1.00 5.70 H ATOM 13 H2 ARG A 1 -2.939 -2.794 10.606 1.00 7.36 H ATOM 14 H3 ARG A 1 -4.213 -3.741 10.167 1.00 5.44 H ATOM 15 HA ARG A 1 -3.867 -2.087 8.536 1.00 6.87 H ATOM 16 HB2 ARG A 1 -1.042 -3.190 8.458 1.00 7.53 H ATOM 17 HB3 ARG A 1 -1.785 -2.357 7.073 1.00 7.26 H ATOM 18 HG2 ARG A 1 -2.434 -0.490 8.651 1.00 9.78 H ATOM 19 HG3 ARG A 1 -1.385 -1.215 9.873 1.00 9.70 H ATOM 20 HD2 ARG A 1 0.563 -0.649 8.727 1.00 11.59 H ATOM 21 HD3 ARG A 1 -0.235 -0.650 7.141 1.00 10.81 H ATOM 22 HE ARG A 1 -1.484 1.397 8.425 1.00 12.84 H ATOM 23 HH11 ARG A 1 1.929 0.727 7.792 1.00 14.00 H ATOM 24 HH12 ARG A 1 2.373 2.386 7.613 1.00 16.28 H ATOM 25 HH21 ARG A 1 -0.919 3.609 8.165 1.00 16.02 H ATOM 26 HH22 ARG A 1 0.707 4.055 7.827 1.00 17.34 H ATOM 27 N LYS A 2 -3.100 -4.976 7.151 1.00 2.55 N ATOM 28 CA LYS A 2 -3.477 -5.917 6.084 1.00 0.79 C ATOM 29 C LYS A 2 -3.151 -5.254 4.745 1.00 1.20 C ATOM 30 O LYS A 2 -3.055 -4.031 4.682 1.00 3.17 O ATOM 31 CB LYS A 2 -4.959 -6.353 6.091 1.00 2.03 C ATOM 32 CG LYS A 2 -5.493 -6.916 7.420 1.00 3.13 C ATOM 33 CD LYS A 2 -5.698 -8.436 7.380 1.00 5.05 C ATOM 34 CE LYS A 2 -6.600 -8.863 8.547 1.00 6.11 C ATOM 35 NZ LYS A 2 -6.209 -10.168 9.126 1.00 7.90 N ATOM 36 H LYS A 2 -2.116 -4.988 7.378 1.00 3.18 H ATOM 37 HA LYS A 2 -2.854 -6.805 6.188 1.00 1.64 H ATOM 38 HB2 LYS A 2 -5.584 -5.511 5.792 1.00 2.86 H ATOM 39 HB3 LYS A 2 -5.092 -7.103 5.313 1.00 3.03 H ATOM 40 HG2 LYS A 2 -4.817 -6.671 8.240 1.00 2.63 H ATOM 41 HG3 LYS A 2 -6.456 -6.445 7.624 1.00 4.24 H ATOM 42 HD2 LYS A 2 -6.189 -8.721 6.448 1.00 6.07 H ATOM 43 HD3 LYS A 2 -4.725 -8.927 7.435 1.00 5.39 H ATOM 44 HE2 LYS A 2 -6.560 -8.099 9.325 1.00 5.77 H ATOM 45 HE3 LYS A 2 -7.630 -8.917 8.184 1.00 6.46 H ATOM 46 HZ1 LYS A 2 -6.196 -10.885 8.413 1.00 8.56 H ATOM 47 HZ2 LYS A 2 -5.293 -10.101 9.548 1.00 8.00 H ATOM 48 HZ3 LYS A 2 -6.872 -10.437 9.842 1.00 8.83 H ATOM 49 N ARG A 3 -3.018 -6.065 3.685 1.00 0.72 N ATOM 50 CA ARG A 3 -2.482 -5.649 2.386 1.00 0.58 C ATOM 51 C ARG A 3 -1.094 -5.013 2.540 1.00 0.63 C ATOM 52 O ARG A 3 -0.573 -4.898 3.648 1.00 1.01 O ATOM 53 CB ARG A 3 -3.490 -4.754 1.635 1.00 0.64 C ATOM 54 CG ARG A 3 -4.282 -5.492 0.545 1.00 2.10 C ATOM 55 CD ARG A 3 -5.219 -6.586 1.075 1.00 3.01 C ATOM 56 NE ARG A 3 -4.553 -7.893 1.225 1.00 4.98 N ATOM 57 CZ ARG A 3 -5.148 -8.999 1.693 1.00 6.24 C ATOM 58 NH1 ARG A 3 -6.414 -8.949 2.106 1.00 5.78 N ATOM 59 NH2 ARG A 3 -4.477 -10.151 1.749 1.00 8.22 N ATOM 60 H ARG A 3 -3.119 -7.054 3.843 1.00 2.27 H ATOM 61 HA ARG A 3 -2.320 -6.545 1.794 1.00 0.58 H ATOM 62 HB2 ARG A 3 -4.191 -4.300 2.336 1.00 1.28 H ATOM 63 HB3 ARG A 3 -2.957 -3.935 1.151 1.00 1.43 H ATOM 64 HG2 ARG A 3 -4.897 -4.751 0.032 1.00 2.75 H ATOM 65 HG3 ARG A 3 -3.598 -5.914 -0.192 1.00 2.97 H ATOM 66 HD2 ARG A 3 -5.638 -6.265 2.029 1.00 2.83 H ATOM 67 HD3 ARG A 3 -6.034 -6.704 0.358 1.00 3.53 H ATOM 68 HE ARG A 3 -3.621 -7.958 0.847 1.00 5.65 H ATOM 69 HH11 ARG A 3 -6.932 -8.087 2.025 1.00 4.64 H ATOM 70 HH12 ARG A 3 -6.909 -9.766 2.435 1.00 6.81 H ATOM 71 HH21 ARG A 3 -3.524 -10.224 1.421 1.00 8.87 H ATOM 72 HH22 ARG A 3 -4.912 -11.001 2.075 1.00 9.23 H ATOM 73 N ILE A 4 -0.444 -4.699 1.415 1.00 0.48 N ATOM 74 CA ILE A 4 0.866 -4.069 1.405 1.00 0.49 C ATOM 75 C ILE A 4 0.874 -3.076 0.264 1.00 0.38 C ATOM 76 O ILE A 4 0.159 -3.260 -0.724 1.00 0.33 O ATOM 77 CB ILE A 4 2.056 -5.039 1.280 1.00 0.64 C ATOM 78 CG1 ILE A 4 1.852 -6.380 1.986 1.00 0.86 C ATOM 79 CG2 ILE A 4 3.294 -4.409 1.925 1.00 0.69 C ATOM 80 CD1 ILE A 4 0.965 -7.297 1.160 1.00 0.89 C ATOM 81 H ILE A 4 -0.887 -4.789 0.511 1.00 0.44 H ATOM 82 HA ILE A 4 0.962 -3.537 2.339 1.00 0.54 H ATOM 83 HB ILE A 4 2.275 -5.215 0.226 1.00 0.64 H ATOM 84 HG12 ILE A 4 2.817 -6.871 2.101 1.00 1.02 H ATOM 85 HG13 ILE A 4 1.419 -6.212 2.969 1.00 0.90 H ATOM 86 HG21 ILE A 4 3.549 -3.468 1.442 1.00 1.45 H ATOM 87 HG22 ILE A 4 3.112 -4.244 2.987 1.00 1.28 H ATOM 88 HG23 ILE A 4 4.141 -5.086 1.814 1.00 1.61 H ATOM 89 HD11 ILE A 4 1.125 -7.087 0.105 1.00 2.08 H ATOM 90 HD12 ILE A 4 1.215 -8.334 1.376 1.00 1.88 H ATOM 91 HD13 ILE A 4 -0.070 -7.118 1.416 1.00 1.62 H ATOM 92 N HIS A 5 1.606 -1.982 0.435 1.00 0.36 N ATOM 93 CA HIS A 5 1.642 -0.931 -0.543 1.00 0.27 C ATOM 94 C HIS A 5 2.902 -0.097 -0.347 1.00 0.30 C ATOM 95 O HIS A 5 3.704 -0.352 0.549 1.00 0.39 O ATOM 96 CB HIS A 5 0.375 -0.075 -0.496 1.00 0.22 C ATOM 97 CG HIS A 5 -0.369 -0.047 0.817 1.00 0.39 C ATOM 98 ND1 HIS A 5 -0.508 1.043 1.643 1.00 0.53 N ATOM 99 CD2 HIS A 5 -1.139 -1.057 1.328 1.00 0.48 C ATOM 100 CE1 HIS A 5 -1.354 0.692 2.627 1.00 0.68 C ATOM 101 NE2 HIS A 5 -1.732 -0.589 2.502 1.00 0.64 N ATOM 102 H HIS A 5 2.194 -1.830 1.242 1.00 0.43 H ATOM 103 HA HIS A 5 1.658 -1.406 -1.518 1.00 0.31 H ATOM 104 HB2 HIS A 5 0.608 0.943 -0.784 1.00 0.24 H ATOM 105 HB3 HIS A 5 -0.271 -0.463 -1.274 1.00 0.18 H ATOM 106 HD1 HIS A 5 -0.121 1.971 1.490 1.00 0.54 H ATOM 107 HD2 HIS A 5 -1.303 -2.018 0.855 1.00 0.47 H ATOM 108 HE1 HIS A 5 -1.733 1.370 3.378 1.00 0.85 H ATOM 109 N ILE A 6 3.057 0.887 -1.223 1.00 0.26 N ATOM 110 CA ILE A 6 4.138 1.844 -1.260 1.00 0.28 C ATOM 111 C ILE A 6 3.795 2.953 -0.265 1.00 0.24 C ATOM 112 O ILE A 6 2.663 3.021 0.206 1.00 0.24 O ATOM 113 CB ILE A 6 4.278 2.351 -2.705 1.00 0.35 C ATOM 114 CG1 ILE A 6 4.412 1.140 -3.644 1.00 0.46 C ATOM 115 CG2 ILE A 6 5.531 3.220 -2.898 1.00 0.40 C ATOM 116 CD1 ILE A 6 3.080 0.488 -4.068 1.00 0.44 C ATOM 117 H ILE A 6 2.306 1.041 -1.871 1.00 0.25 H ATOM 118 HA ILE A 6 5.065 1.348 -0.978 1.00 0.36 H ATOM 119 HB ILE A 6 3.400 2.936 -2.986 1.00 0.34 H ATOM 120 HG12 ILE A 6 4.912 1.479 -4.544 1.00 0.56 H ATOM 121 HG13 ILE A 6 5.064 0.405 -3.174 1.00 0.49 H ATOM 122 HG21 ILE A 6 5.677 3.438 -3.957 1.00 1.67 H ATOM 123 HG22 ILE A 6 5.419 4.177 -2.400 1.00 1.61 H ATOM 124 HG23 ILE A 6 6.413 2.700 -2.521 1.00 1.45 H ATOM 125 HD11 ILE A 6 2.759 -0.273 -3.356 1.00 1.50 H ATOM 126 HD12 ILE A 6 2.296 1.242 -4.153 1.00 1.74 H ATOM 127 HD13 ILE A 6 3.211 0.000 -5.034 1.00 1.53 H ATOM 128 N GLY A 7 4.755 3.834 0.019 1.00 0.25 N ATOM 129 CA GLY A 7 4.625 4.962 0.943 1.00 0.28 C ATOM 130 C GLY A 7 3.284 5.700 0.832 1.00 0.34 C ATOM 131 O GLY A 7 2.439 5.565 1.712 1.00 0.43 O ATOM 132 H GLY A 7 5.642 3.669 -0.437 1.00 0.29 H ATOM 133 HA2 GLY A 7 4.718 4.584 1.961 1.00 0.36 H ATOM 134 HA3 GLY A 7 5.437 5.667 0.769 1.00 0.28 H ATOM 135 N PRO A 8 3.066 6.490 -0.232 1.00 0.38 N ATOM 136 CA PRO A 8 1.799 7.168 -0.482 1.00 0.51 C ATOM 137 C PRO A 8 0.777 6.254 -1.174 1.00 0.57 C ATOM 138 O PRO A 8 -0.265 6.721 -1.629 1.00 0.97 O ATOM 139 CB PRO A 8 2.176 8.346 -1.385 1.00 0.57 C ATOM 140 CG PRO A 8 3.340 7.791 -2.207 1.00 0.50 C ATOM 141 CD PRO A 8 4.055 6.856 -1.229 1.00 0.38 C ATOM 142 HA PRO A 8 1.370 7.541 0.450 1.00 0.55 H ATOM 143 HB2 PRO A 8 1.352 8.672 -2.021 1.00 0.67 H ATOM 144 HB3 PRO A 8 2.527 9.176 -0.771 1.00 0.57 H ATOM 145 HG2 PRO A 8 2.955 7.218 -3.051 1.00 0.51 H ATOM 146 HG3 PRO A 8 4.001 8.588 -2.554 1.00 0.55 H ATOM 147 HD2 PRO A 8 4.418 5.979 -1.758 1.00 0.39 H ATOM 148 HD3 PRO A 8 4.880 7.383 -0.750 1.00 0.36 H ATOM 149 N GLY A 9 1.060 4.957 -1.293 1.00 0.29 N ATOM 150 CA GLY A 9 0.157 4.004 -1.906 1.00 0.31 C ATOM 151 C GLY A 9 -0.814 3.482 -0.855 1.00 0.32 C ATOM 152 O GLY A 9 -0.533 3.538 0.340 1.00 0.56 O ATOM 153 H GLY A 9 1.837 4.575 -0.777 1.00 0.37 H ATOM 154 HA2 GLY A 9 -0.392 4.482 -2.719 1.00 0.42 H ATOM 155 HA3 GLY A 9 0.741 3.173 -2.302 1.00 0.32 H ATOM 156 N ARG A 10 -1.949 2.928 -1.291 1.00 0.41 N ATOM 157 CA ARG A 10 -2.960 2.418 -0.364 1.00 0.46 C ATOM 158 C ARG A 10 -3.144 0.917 -0.413 1.00 0.33 C ATOM 159 O ARG A 10 -3.762 0.354 0.480 1.00 0.47 O ATOM 160 CB ARG A 10 -4.299 3.111 -0.564 1.00 0.81 C ATOM 161 CG ARG A 10 -5.111 2.631 -1.774 1.00 1.51 C ATOM 162 CD ARG A 10 -4.559 3.104 -3.124 1.00 1.51 C ATOM 163 NE ARG A 10 -3.904 2.060 -3.934 1.00 1.26 N ATOM 164 CZ ARG A 10 -3.551 2.265 -5.214 1.00 2.36 C ATOM 165 NH1 ARG A 10 -3.588 3.492 -5.737 1.00 3.14 N ATOM 166 NH2 ARG A 10 -3.175 1.255 -5.984 1.00 2.91 N ATOM 167 H ARG A 10 -2.141 2.934 -2.280 1.00 0.67 H ATOM 168 HA ARG A 10 -2.660 2.648 0.653 1.00 0.51 H ATOM 169 HB2 ARG A 10 -4.878 2.886 0.330 1.00 1.26 H ATOM 170 HB3 ARG A 10 -4.145 4.187 -0.614 1.00 0.59 H ATOM 171 HG2 ARG A 10 -5.221 1.550 -1.757 1.00 2.43 H ATOM 172 HG3 ARG A 10 -6.107 3.057 -1.663 1.00 2.73 H ATOM 173 HD2 ARG A 10 -5.411 3.460 -3.699 1.00 2.34 H ATOM 174 HD3 ARG A 10 -3.874 3.932 -2.960 1.00 2.46 H ATOM 175 HE ARG A 10 -3.900 1.103 -3.595 1.00 0.77 H ATOM 176 HH11 ARG A 10 -3.878 4.282 -5.185 1.00 2.93 H ATOM 177 HH12 ARG A 10 -3.330 3.646 -6.699 1.00 4.04 H ATOM 178 HH21 ARG A 10 -3.194 0.280 -5.669 1.00 2.33 H ATOM 179 HH22 ARG A 10 -3.092 1.281 -6.989 1.00 3.74 H ATOM 180 N ALA A 11 -2.686 0.300 -1.497 1.00 0.18 N ATOM 181 CA ALA A 11 -2.725 -1.131 -1.748 1.00 0.23 C ATOM 182 C ALA A 11 -2.212 -1.387 -3.152 1.00 0.40 C ATOM 183 O ALA A 11 -2.308 -0.500 -3.996 1.00 0.60 O ATOM 184 CB ALA A 11 -4.150 -1.635 -1.613 1.00 0.45 C ATOM 185 H ALA A 11 -2.249 0.872 -2.199 1.00 0.24 H ATOM 186 HA ALA A 11 -2.097 -1.664 -1.042 1.00 0.26 H ATOM 187 HB1 ALA A 11 -4.819 -0.910 -2.091 1.00 1.60 H ATOM 188 HB2 ALA A 11 -4.233 -2.616 -2.079 1.00 1.45 H ATOM 189 HB3 ALA A 11 -4.366 -1.744 -0.549 1.00 1.13 H ATOM 190 N PHE A 12 -1.706 -2.596 -3.395 1.00 0.50 N ATOM 191 CA PHE A 12 -1.191 -3.021 -4.694 1.00 0.74 C ATOM 192 C PHE A 12 -2.251 -3.236 -5.770 1.00 1.03 C ATOM 193 O PHE A 12 -1.907 -3.523 -6.912 1.00 1.34 O ATOM 194 CB PHE A 12 -0.382 -4.304 -4.509 1.00 0.73 C ATOM 195 CG PHE A 12 -1.119 -5.429 -3.800 1.00 0.80 C ATOM 196 CD1 PHE A 12 -2.194 -6.085 -4.427 1.00 2.34 C ATOM 197 CD2 PHE A 12 -0.732 -5.817 -2.502 1.00 1.84 C ATOM 198 CE1 PHE A 12 -2.902 -7.091 -3.750 1.00 2.70 C ATOM 199 CE2 PHE A 12 -1.431 -6.835 -1.830 1.00 1.82 C ATOM 200 CZ PHE A 12 -2.523 -7.466 -2.450 1.00 1.56 C ATOM 201 H PHE A 12 -1.609 -3.250 -2.630 1.00 0.50 H ATOM 202 HA PHE A 12 -0.554 -2.230 -5.069 1.00 0.94 H ATOM 203 HB2 PHE A 12 -0.077 -4.656 -5.491 1.00 0.87 H ATOM 204 HB3 PHE A 12 0.511 -4.050 -3.944 1.00 0.86 H ATOM 205 HD1 PHE A 12 -2.484 -5.830 -5.436 1.00 3.62 H ATOM 206 HD2 PHE A 12 0.115 -5.343 -2.028 1.00 3.25 H ATOM 207 HE1 PHE A 12 -3.731 -7.583 -4.238 1.00 4.18 H ATOM 208 HE2 PHE A 12 -1.117 -7.140 -0.844 1.00 3.03 H ATOM 209 HZ PHE A 12 -3.061 -8.253 -1.944 1.00 1.92 H ATOM 210 N TYR A 13 -3.518 -3.154 -5.385 1.00 1.17 N ATOM 211 CA TYR A 13 -4.642 -3.127 -6.313 1.00 1.71 C ATOM 212 C TYR A 13 -4.401 -2.071 -7.387 1.00 2.67 C ATOM 213 O TYR A 13 -4.858 -2.299 -8.525 1.00 3.27 O ATOM 214 CB TYR A 13 -5.941 -2.779 -5.580 1.00 1.43 C ATOM 215 CG TYR A 13 -6.378 -3.722 -4.477 1.00 1.36 C ATOM 216 CD1 TYR A 13 -6.612 -5.079 -4.757 1.00 2.72 C ATOM 217 CD2 TYR A 13 -6.642 -3.217 -3.192 1.00 2.21 C ATOM 218 CE1 TYR A 13 -7.147 -5.924 -3.766 1.00 3.33 C ATOM 219 CE2 TYR A 13 -7.153 -4.057 -2.188 1.00 2.44 C ATOM 220 CZ TYR A 13 -7.426 -5.411 -2.477 1.00 2.55 C ATOM 221 OH TYR A 13 -7.981 -6.204 -1.516 1.00 3.31 O ATOM 222 OXT TYR A 13 -3.826 -1.022 -7.019 1.00 3.22 O ATOM 223 H TYR A 13 -3.646 -2.990 -4.408 1.00 1.11 H ATOM 224 HA TYR A 13 -4.732 -4.095 -6.802 1.00 2.11 H ATOM 225 HB2 TYR A 13 -5.837 -1.773 -5.172 1.00 1.51 H ATOM 226 HB3 TYR A 13 -6.742 -2.740 -6.319 1.00 1.81 H ATOM 227 HD1 TYR A 13 -6.407 -5.455 -5.748 1.00 3.86 H ATOM 228 HD2 TYR A 13 -6.474 -2.171 -2.992 1.00 3.50 H ATOM 229 HE1 TYR A 13 -7.351 -6.958 -4.005 1.00 4.82 H ATOM 230 HE2 TYR A 13 -7.378 -3.659 -1.209 1.00 3.53 H ATOM 231 HH TYR A 13 -8.507 -6.913 -1.893 1.00 4.03 H TER 232 TYR A 13 ENDMDL MODEL 16 ATOM 1 N ARG A 1 -2.537 -10.566 8.660 1.00 4.35 N ATOM 2 CA ARG A 1 -1.765 -9.539 7.929 1.00 3.72 C ATOM 3 C ARG A 1 -2.758 -8.714 7.127 1.00 2.55 C ATOM 4 O ARG A 1 -3.759 -9.271 6.693 1.00 3.19 O ATOM 5 CB ARG A 1 -0.707 -10.170 7.008 1.00 4.79 C ATOM 6 CG ARG A 1 0.544 -10.590 7.793 1.00 5.91 C ATOM 7 CD ARG A 1 1.578 -11.284 6.888 1.00 7.10 C ATOM 8 NE ARG A 1 2.770 -10.455 6.639 1.00 8.13 N ATOM 9 CZ ARG A 1 3.852 -10.861 5.959 1.00 9.50 C ATOM 10 NH1 ARG A 1 3.881 -12.075 5.407 1.00 10.04 N ATOM 11 NH2 ARG A 1 4.908 -10.055 5.833 1.00 10.62 N ATOM 12 H1 ARG A 1 -3.076 -11.100 7.990 1.00 4.67 H ATOM 13 H2 ARG A 1 -1.927 -11.176 9.185 1.00 5.13 H ATOM 14 H3 ARG A 1 -3.190 -10.114 9.286 1.00 4.06 H ATOM 15 HA ARG A 1 -1.267 -8.884 8.643 1.00 3.89 H ATOM 16 HB2 ARG A 1 -1.136 -11.041 6.507 1.00 5.31 H ATOM 17 HB3 ARG A 1 -0.410 -9.448 6.246 1.00 4.68 H ATOM 18 HG2 ARG A 1 0.988 -9.711 8.263 1.00 5.93 H ATOM 19 HG3 ARG A 1 0.253 -11.286 8.581 1.00 6.26 H ATOM 20 HD2 ARG A 1 1.896 -12.206 7.377 1.00 7.84 H ATOM 21 HD3 ARG A 1 1.112 -11.543 5.935 1.00 6.85 H ATOM 22 HE ARG A 1 2.769 -9.532 7.048 1.00 8.01 H ATOM 23 HH11 ARG A 1 3.087 -12.689 5.496 1.00 9.47 H ATOM 24 HH12 ARG A 1 4.679 -12.413 4.890 1.00 11.19 H ATOM 25 HH21 ARG A 1 4.922 -9.135 6.249 1.00 10.53 H ATOM 26 HH22 ARG A 1 5.734 -10.344 5.329 1.00 11.75 H ATOM 27 N LYS A 2 -2.518 -7.410 6.971 1.00 1.65 N ATOM 28 CA LYS A 2 -3.372 -6.552 6.158 1.00 0.64 C ATOM 29 C LYS A 2 -2.747 -6.388 4.774 1.00 0.77 C ATOM 30 O LYS A 2 -1.653 -6.891 4.528 1.00 1.93 O ATOM 31 CB LYS A 2 -3.592 -5.198 6.853 1.00 1.53 C ATOM 32 CG LYS A 2 -2.280 -4.486 7.220 1.00 3.00 C ATOM 33 CD LYS A 2 -2.528 -3.004 7.517 1.00 4.17 C ATOM 34 CE LYS A 2 -2.650 -2.222 6.203 1.00 5.78 C ATOM 35 NZ LYS A 2 -2.956 -0.792 6.431 1.00 7.05 N ATOM 36 H LYS A 2 -1.645 -7.011 7.283 1.00 2.46 H ATOM 37 HA LYS A 2 -4.345 -7.030 6.032 1.00 0.99 H ATOM 38 HB2 LYS A 2 -4.185 -4.558 6.201 1.00 2.16 H ATOM 39 HB3 LYS A 2 -4.168 -5.359 7.766 1.00 2.33 H ATOM 40 HG2 LYS A 2 -1.858 -4.960 8.108 1.00 3.39 H ATOM 41 HG3 LYS A 2 -1.558 -4.566 6.409 1.00 3.76 H ATOM 42 HD2 LYS A 2 -3.439 -2.903 8.111 1.00 4.13 H ATOM 43 HD3 LYS A 2 -1.686 -2.614 8.089 1.00 4.94 H ATOM 44 HE2 LYS A 2 -1.707 -2.310 5.654 1.00 6.61 H ATOM 45 HE3 LYS A 2 -3.432 -2.666 5.588 1.00 5.88 H ATOM 46 HZ1 LYS A 2 -3.859 -0.695 6.876 1.00 7.20 H ATOM 47 HZ2 LYS A 2 -2.252 -0.375 7.024 1.00 7.60 H ATOM 48 HZ3 LYS A 2 -2.964 -0.304 5.544 1.00 7.71 H ATOM 49 N ARG A 3 -3.439 -5.671 3.884 1.00 0.58 N ATOM 50 CA ARG A 3 -2.911 -5.300 2.575 1.00 0.56 C ATOM 51 C ARG A 3 -1.635 -4.473 2.739 1.00 0.55 C ATOM 52 O ARG A 3 -1.443 -3.850 3.785 1.00 0.80 O ATOM 53 CB ARG A 3 -3.979 -4.539 1.783 1.00 0.74 C ATOM 54 CG ARG A 3 -4.195 -3.119 2.317 1.00 2.35 C ATOM 55 CD ARG A 3 -5.524 -2.583 1.795 1.00 2.83 C ATOM 56 NE ARG A 3 -5.645 -1.135 2.031 1.00 4.49 N ATOM 57 CZ ARG A 3 -6.760 -0.497 2.415 1.00 5.40 C ATOM 58 NH1 ARG A 3 -7.915 -1.157 2.537 1.00 4.98 N ATOM 59 NH2 ARG A 3 -6.716 0.807 2.681 1.00 7.04 N ATOM 60 H ARG A 3 -4.339 -5.308 4.154 1.00 1.53 H ATOM 61 HA ARG A 3 -2.677 -6.217 2.039 1.00 0.53 H ATOM 62 HB2 ARG A 3 -3.677 -4.478 0.737 1.00 1.44 H ATOM 63 HB3 ARG A 3 -4.915 -5.097 1.833 1.00 2.11 H ATOM 64 HG2 ARG A 3 -4.217 -3.117 3.408 1.00 3.39 H ATOM 65 HG3 ARG A 3 -3.384 -2.477 1.976 1.00 3.41 H ATOM 66 HD2 ARG A 3 -5.593 -2.784 0.727 1.00 2.89 H ATOM 67 HD3 ARG A 3 -6.316 -3.132 2.304 1.00 2.91 H ATOM 68 HE ARG A 3 -4.811 -0.586 1.825 1.00 5.19 H ATOM 69 HH11 ARG A 3 -7.973 -2.130 2.280 1.00 4.11 H ATOM 70 HH12 ARG A 3 -8.770 -0.701 2.817 1.00 5.80 H ATOM 71 HH21 ARG A 3 -5.855 1.320 2.551 1.00 7.67 H ATOM 72 HH22 ARG A 3 -7.532 1.320 2.981 1.00 7.79 H ATOM 73 N ILE A 4 -0.798 -4.431 1.698 1.00 0.44 N ATOM 74 CA ILE A 4 0.500 -3.776 1.741 1.00 0.42 C ATOM 75 C ILE A 4 0.601 -2.856 0.542 1.00 0.37 C ATOM 76 O ILE A 4 -0.087 -3.059 -0.461 1.00 0.40 O ATOM 77 CB ILE A 4 1.687 -4.757 1.792 1.00 0.48 C ATOM 78 CG1 ILE A 4 1.393 -5.987 2.655 1.00 0.61 C ATOM 79 CG2 ILE A 4 2.917 -4.079 2.405 1.00 0.53 C ATOM 80 CD1 ILE A 4 0.579 -7.014 1.877 1.00 0.66 C ATOM 81 H ILE A 4 -1.044 -4.861 0.819 1.00 0.45 H ATOM 82 HA ILE A 4 0.531 -3.179 2.640 1.00 0.45 H ATOM 83 HB ILE A 4 1.948 -5.072 0.781 1.00 0.49 H ATOM 84 HG12 ILE A 4 2.331 -6.460 2.941 1.00 0.72 H ATOM 85 HG13 ILE A 4 0.856 -5.681 3.554 1.00 0.65 H ATOM 86 HG21 ILE A 4 3.258 -3.254 1.782 1.00 1.43 H ATOM 87 HG22 ILE A 4 2.682 -3.718 3.407 1.00 1.49 H ATOM 88 HG23 ILE A 4 3.732 -4.800 2.471 1.00 1.11 H ATOM 89 HD11 ILE A 4 0.806 -6.927 0.817 1.00 1.45 H ATOM 90 HD12 ILE A 4 0.829 -8.014 2.226 1.00 1.88 H ATOM 91 HD13 ILE A 4 -0.475 -6.832 2.042 1.00 1.99 H ATOM 92 N HIS A 5 1.387 -1.793 0.677 1.00 0.31 N ATOM 93 CA HIS A 5 1.530 -0.814 -0.364 1.00 0.25 C ATOM 94 C HIS A 5 2.830 -0.041 -0.172 1.00 0.24 C ATOM 95 O HIS A 5 3.576 -0.271 0.777 1.00 0.29 O ATOM 96 CB HIS A 5 0.317 0.115 -0.427 1.00 0.21 C ATOM 97 CG HIS A 5 -0.470 0.292 0.850 1.00 0.28 C ATOM 98 ND1 HIS A 5 -0.574 1.450 1.582 1.00 0.33 N ATOM 99 CD2 HIS A 5 -1.338 -0.618 1.394 1.00 0.35 C ATOM 100 CE1 HIS A 5 -1.497 1.241 2.537 1.00 0.40 C ATOM 101 NE2 HIS A 5 -1.974 -0.016 2.488 1.00 0.40 N ATOM 102 H HIS A 5 1.959 -1.627 1.494 1.00 0.32 H ATOM 103 HA HIS A 5 1.555 -1.356 -1.304 1.00 0.31 H ATOM 104 HB2 HIS A 5 0.623 1.090 -0.788 1.00 0.21 H ATOM 105 HB3 HIS A 5 -0.324 -0.295 -1.199 1.00 0.22 H ATOM 106 HD1 HIS A 5 -0.111 2.335 1.380 1.00 0.33 H ATOM 107 HD2 HIS A 5 -1.536 -1.595 0.971 1.00 0.42 H ATOM 108 HE1 HIS A 5 -1.853 2.012 3.206 1.00 0.49 H ATOM 109 N ILE A 6 3.078 0.864 -1.112 1.00 0.22 N ATOM 110 CA ILE A 6 4.190 1.784 -1.164 1.00 0.25 C ATOM 111 C ILE A 6 3.841 2.969 -0.265 1.00 0.21 C ATOM 112 O ILE A 6 2.688 3.108 0.138 1.00 0.17 O ATOM 113 CB ILE A 6 4.401 2.194 -2.633 1.00 0.29 C ATOM 114 CG1 ILE A 6 4.526 0.923 -3.491 1.00 0.36 C ATOM 115 CG2 ILE A 6 5.686 3.012 -2.835 1.00 0.35 C ATOM 116 CD1 ILE A 6 3.186 0.311 -3.946 1.00 0.35 C ATOM 117 H ILE A 6 2.362 1.003 -1.802 1.00 0.21 H ATOM 118 HA ILE A 6 5.089 1.282 -0.811 1.00 0.30 H ATOM 119 HB ILE A 6 3.555 2.788 -2.983 1.00 0.26 H ATOM 120 HG12 ILE A 6 5.088 1.182 -4.380 1.00 0.42 H ATOM 121 HG13 ILE A 6 5.116 0.189 -2.942 1.00 0.39 H ATOM 122 HG21 ILE A 6 6.541 2.489 -2.403 1.00 1.61 H ATOM 123 HG22 ILE A 6 5.868 3.167 -3.899 1.00 1.64 H ATOM 124 HG23 ILE A 6 5.588 3.999 -2.395 1.00 1.47 H ATOM 125 HD11 ILE A 6 3.348 -0.268 -4.856 1.00 1.41 H ATOM 126 HD12 ILE A 6 2.770 -0.362 -3.196 1.00 1.50 H ATOM 127 HD13 ILE A 6 2.459 1.098 -4.149 1.00 1.43 H ATOM 128 N GLY A 7 4.821 3.832 0.006 1.00 0.24 N ATOM 129 CA GLY A 7 4.693 5.033 0.834 1.00 0.24 C ATOM 130 C GLY A 7 3.391 5.808 0.594 1.00 0.23 C ATOM 131 O GLY A 7 2.480 5.740 1.412 1.00 0.25 O ATOM 132 H GLY A 7 5.720 3.602 -0.392 1.00 0.28 H ATOM 133 HA2 GLY A 7 4.719 4.732 1.883 1.00 0.26 H ATOM 134 HA3 GLY A 7 5.541 5.690 0.651 1.00 0.28 H ATOM 135 N PRO A 8 3.272 6.547 -0.520 1.00 0.25 N ATOM 136 CA PRO A 8 2.051 7.260 -0.881 1.00 0.28 C ATOM 137 C PRO A 8 1.034 6.348 -1.584 1.00 0.30 C ATOM 138 O PRO A 8 0.101 6.832 -2.220 1.00 0.54 O ATOM 139 CB PRO A 8 2.536 8.370 -1.819 1.00 0.33 C ATOM 140 CG PRO A 8 3.698 7.702 -2.553 1.00 0.32 C ATOM 141 CD PRO A 8 4.333 6.832 -1.468 1.00 0.28 C ATOM 142 HA PRO A 8 1.585 7.700 0.002 1.00 0.30 H ATOM 143 HB2 PRO A 8 1.763 8.713 -2.509 1.00 0.37 H ATOM 144 HB3 PRO A 8 2.911 9.206 -1.229 1.00 0.34 H ATOM 145 HG2 PRO A 8 3.313 7.070 -3.354 1.00 0.33 H ATOM 146 HG3 PRO A 8 4.402 8.436 -2.946 1.00 0.37 H ATOM 147 HD2 PRO A 8 4.726 5.918 -1.905 1.00 0.29 H ATOM 148 HD3 PRO A 8 5.128 7.389 -0.968 1.00 0.30 H ATOM 149 N GLY A 9 1.202 5.028 -1.507 1.00 0.23 N ATOM 150 CA GLY A 9 0.294 4.072 -2.112 1.00 0.23 C ATOM 151 C GLY A 9 -0.747 3.656 -1.078 1.00 0.22 C ATOM 152 O GLY A 9 -0.538 3.826 0.120 1.00 0.35 O ATOM 153 H GLY A 9 1.869 4.655 -0.850 1.00 0.37 H ATOM 154 HA2 GLY A 9 -0.194 4.515 -2.981 1.00 0.29 H ATOM 155 HA3 GLY A 9 0.866 3.199 -2.425 1.00 0.27 H ATOM 156 N ARG A 10 -1.865 3.073 -1.524 1.00 0.36 N ATOM 157 CA ARG A 10 -2.949 2.683 -0.615 1.00 0.33 C ATOM 158 C ARG A 10 -3.200 1.187 -0.549 1.00 0.25 C ATOM 159 O ARG A 10 -3.897 0.719 0.354 1.00 0.31 O ATOM 160 CB ARG A 10 -4.238 3.415 -0.955 1.00 0.54 C ATOM 161 CG ARG A 10 -4.990 2.874 -2.179 1.00 1.27 C ATOM 162 CD ARG A 10 -4.349 3.235 -3.524 1.00 1.55 C ATOM 163 NE ARG A 10 -3.694 2.118 -4.229 1.00 1.45 N ATOM 164 CZ ARG A 10 -3.272 2.222 -5.501 1.00 2.62 C ATOM 165 NH1 ARG A 10 -3.238 3.409 -6.108 1.00 3.45 N ATOM 166 NH2 ARG A 10 -2.899 1.147 -6.179 1.00 3.15 N ATOM 167 H ARG A 10 -1.998 2.992 -2.520 1.00 0.60 H ATOM 168 HA ARG A 10 -2.690 2.989 0.393 1.00 0.35 H ATOM 169 HB2 ARG A 10 -4.883 3.288 -0.088 1.00 1.00 H ATOM 170 HB3 ARG A 10 -4.031 4.476 -1.077 1.00 0.44 H ATOM 171 HG2 ARG A 10 -5.134 1.800 -2.096 1.00 2.18 H ATOM 172 HG3 ARG A 10 -5.978 3.332 -2.158 1.00 2.48 H ATOM 173 HD2 ARG A 10 -5.155 3.582 -4.167 1.00 2.34 H ATOM 174 HD3 ARG A 10 -3.640 4.048 -3.377 1.00 2.54 H ATOM 175 HE ARG A 10 -3.736 1.185 -3.829 1.00 0.91 H ATOM 176 HH11 ARG A 10 -3.519 4.248 -5.628 1.00 3.24 H ATOM 177 HH12 ARG A 10 -2.926 3.486 -7.065 1.00 4.39 H ATOM 178 HH21 ARG A 10 -2.976 0.199 -5.801 1.00 2.51 H ATOM 179 HH22 ARG A 10 -2.777 1.095 -7.180 1.00 4.00 H ATOM 180 N ALA A 11 -2.701 0.477 -1.557 1.00 0.23 N ATOM 181 CA ALA A 11 -2.773 -0.961 -1.741 1.00 0.28 C ATOM 182 C ALA A 11 -2.188 -1.307 -3.099 1.00 0.44 C ATOM 183 O ALA A 11 -2.230 -0.469 -3.997 1.00 0.64 O ATOM 184 CB ALA A 11 -4.220 -1.402 -1.682 1.00 0.56 C ATOM 185 H ALA A 11 -2.196 0.980 -2.267 1.00 0.27 H ATOM 186 HA ALA A 11 -2.208 -1.481 -0.974 1.00 0.30 H ATOM 187 HB1 ALA A 11 -4.519 -1.391 -0.638 1.00 1.34 H ATOM 188 HB2 ALA A 11 -4.819 -0.709 -2.285 1.00 1.83 H ATOM 189 HB3 ALA A 11 -4.297 -2.421 -2.056 1.00 1.53 H ATOM 190 N PHE A 12 -1.688 -2.534 -3.244 1.00 0.52 N ATOM 191 CA PHE A 12 -1.100 -3.041 -4.480 1.00 0.80 C ATOM 192 C PHE A 12 -2.085 -3.271 -5.623 1.00 1.09 C ATOM 193 O PHE A 12 -1.665 -3.607 -6.727 1.00 1.45 O ATOM 194 CB PHE A 12 -0.360 -4.345 -4.176 1.00 0.79 C ATOM 195 CG PHE A 12 -1.183 -5.392 -3.442 1.00 0.76 C ATOM 196 CD1 PHE A 12 -2.249 -6.045 -4.088 1.00 1.99 C ATOM 197 CD2 PHE A 12 -0.888 -5.706 -2.101 1.00 1.73 C ATOM 198 CE1 PHE A 12 -3.038 -6.974 -3.389 1.00 2.38 C ATOM 199 CE2 PHE A 12 -1.669 -6.644 -1.404 1.00 1.77 C ATOM 200 CZ PHE A 12 -2.752 -7.269 -2.046 1.00 1.56 C ATOM 201 H PHE A 12 -1.640 -3.140 -2.436 1.00 0.51 H ATOM 202 HA PHE A 12 -0.403 -2.297 -4.840 1.00 1.07 H ATOM 203 HB2 PHE A 12 -0.019 -4.771 -5.117 1.00 0.94 H ATOM 204 HB3 PHE A 12 0.515 -4.096 -3.580 1.00 1.01 H ATOM 205 HD1 PHE A 12 -2.470 -5.844 -5.127 1.00 3.06 H ATOM 206 HD2 PHE A 12 -0.048 -5.236 -1.610 1.00 2.94 H ATOM 207 HE1 PHE A 12 -3.858 -7.465 -3.892 1.00 3.65 H ATOM 208 HE2 PHE A 12 -1.433 -6.899 -0.384 1.00 2.80 H ATOM 209 HZ PHE A 12 -3.353 -7.993 -1.514 1.00 1.96 H ATOM 210 N TYR A 13 -3.376 -3.153 -5.336 1.00 1.21 N ATOM 211 CA TYR A 13 -4.436 -3.208 -6.337 1.00 1.75 C ATOM 212 C TYR A 13 -4.141 -2.223 -7.463 1.00 2.68 C ATOM 213 O TYR A 13 -4.515 -2.537 -8.611 1.00 3.27 O ATOM 214 CB TYR A 13 -5.791 -2.849 -5.718 1.00 1.51 C ATOM 215 CG TYR A 13 -6.213 -3.655 -4.506 1.00 1.44 C ATOM 216 CD1 TYR A 13 -6.266 -5.058 -4.569 1.00 2.46 C ATOM 217 CD2 TYR A 13 -6.607 -2.991 -3.331 1.00 1.99 C ATOM 218 CE1 TYR A 13 -6.722 -5.801 -3.464 1.00 2.96 C ATOM 219 CE2 TYR A 13 -7.045 -3.723 -2.216 1.00 2.31 C ATOM 220 CZ TYR A 13 -7.113 -5.131 -2.280 1.00 2.47 C ATOM 221 OH TYR A 13 -7.568 -5.825 -1.198 1.00 3.16 O ATOM 222 OXT TYR A 13 -3.606 -1.140 -7.131 1.00 3.22 O ATOM 223 H TYR A 13 -3.572 -2.945 -4.379 1.00 1.13 H ATOM 224 HA TYR A 13 -4.475 -4.210 -6.764 1.00 2.14 H ATOM 225 HB2 TYR A 13 -5.768 -1.791 -5.452 1.00 1.58 H ATOM 226 HB3 TYR A 13 -6.555 -2.967 -6.487 1.00 1.81 H ATOM 227 HD1 TYR A 13 -5.973 -5.561 -5.481 1.00 3.35 H ATOM 228 HD2 TYR A 13 -6.583 -1.913 -3.294 1.00 2.89 H ATOM 229 HE1 TYR A 13 -6.778 -6.877 -3.537 1.00 4.12 H ATOM 230 HE2 TYR A 13 -7.357 -3.212 -1.318 1.00 3.16 H ATOM 231 HH TYR A 13 -7.750 -6.748 -1.392 1.00 3.88 H TER 232 TYR A 13 ENDMDL MODEL 17 ATOM 1 N ARG A 1 -3.074 -9.285 9.813 1.00 3.78 N ATOM 2 CA ARG A 1 -2.274 -8.556 8.804 1.00 3.35 C ATOM 3 C ARG A 1 -3.239 -7.828 7.873 1.00 2.15 C ATOM 4 O ARG A 1 -4.443 -8.018 8.002 1.00 2.53 O ATOM 5 CB ARG A 1 -1.311 -9.496 8.056 1.00 4.35 C ATOM 6 CG ARG A 1 -0.009 -9.683 8.849 1.00 5.55 C ATOM 7 CD ARG A 1 0.942 -10.657 8.140 1.00 6.66 C ATOM 8 NE ARG A 1 2.245 -10.737 8.823 1.00 7.89 N ATOM 9 CZ ARG A 1 3.256 -11.541 8.469 1.00 9.09 C ATOM 10 NH1 ARG A 1 3.122 -12.373 7.435 1.00 9.42 N ATOM 11 NH2 ARG A 1 4.404 -11.513 9.149 1.00 10.23 N ATOM 12 H1 ARG A 1 -3.666 -9.954 9.340 1.00 3.95 H ATOM 13 H2 ARG A 1 -2.479 -9.754 10.481 1.00 4.55 H ATOM 14 H3 ARG A 1 -3.680 -8.629 10.287 1.00 3.55 H ATOM 15 HA ARG A 1 -1.683 -7.794 9.314 1.00 3.74 H ATOM 16 HB2 ARG A 1 -1.789 -10.463 7.890 1.00 4.76 H ATOM 17 HB3 ARG A 1 -1.055 -9.070 7.084 1.00 4.29 H ATOM 18 HG2 ARG A 1 0.485 -8.714 8.946 1.00 5.69 H ATOM 19 HG3 ARG A 1 -0.233 -10.065 9.845 1.00 5.87 H ATOM 20 HD2 ARG A 1 0.483 -11.647 8.122 1.00 7.00 H ATOM 21 HD3 ARG A 1 1.100 -10.319 7.116 1.00 6.53 H ATOM 22 HE ARG A 1 2.371 -10.114 9.608 1.00 8.00 H ATOM 23 HH11 ARG A 1 2.259 -12.397 6.915 1.00 8.77 H ATOM 24 HH12 ARG A 1 3.863 -12.992 7.143 1.00 10.49 H ATOM 25 HH21 ARG A 1 4.537 -10.893 9.933 1.00 10.29 H ATOM 26 HH22 ARG A 1 5.180 -12.109 8.900 1.00 11.22 H ATOM 27 N LYS A 2 -2.731 -6.976 6.980 1.00 1.51 N ATOM 28 CA LYS A 2 -3.514 -6.117 6.096 1.00 0.66 C ATOM 29 C LYS A 2 -2.829 -6.136 4.727 1.00 0.70 C ATOM 30 O LYS A 2 -1.868 -6.881 4.541 1.00 1.83 O ATOM 31 CB LYS A 2 -3.580 -4.704 6.710 1.00 1.76 C ATOM 32 CG LYS A 2 -4.896 -4.412 7.452 1.00 2.91 C ATOM 33 CD LYS A 2 -5.987 -3.870 6.514 1.00 4.20 C ATOM 34 CE LYS A 2 -7.031 -3.076 7.315 1.00 5.48 C ATOM 35 NZ LYS A 2 -7.559 -1.920 6.553 1.00 7.07 N ATOM 36 H LYS A 2 -1.730 -6.920 6.833 1.00 2.33 H ATOM 37 HA LYS A 2 -4.520 -6.526 5.986 1.00 1.01 H ATOM 38 HB2 LYS A 2 -2.758 -4.590 7.419 1.00 2.46 H ATOM 39 HB3 LYS A 2 -3.426 -3.941 5.947 1.00 2.76 H ATOM 40 HG2 LYS A 2 -5.252 -5.304 7.969 1.00 2.93 H ATOM 41 HG3 LYS A 2 -4.686 -3.648 8.202 1.00 3.85 H ATOM 42 HD2 LYS A 2 -5.525 -3.206 5.782 1.00 4.59 H ATOM 43 HD3 LYS A 2 -6.472 -4.695 5.988 1.00 4.59 H ATOM 44 HE2 LYS A 2 -7.848 -3.741 7.602 1.00 5.80 H ATOM 45 HE3 LYS A 2 -6.564 -2.703 8.230 1.00 5.50 H ATOM 46 HZ1 LYS A 2 -6.809 -1.274 6.339 1.00 7.42 H ATOM 47 HZ2 LYS A 2 -7.990 -2.226 5.692 1.00 7.75 H ATOM 48 HZ3 LYS A 2 -8.251 -1.428 7.106 1.00 7.62 H ATOM 49 N ARG A 3 -3.327 -5.357 3.760 1.00 0.60 N ATOM 50 CA ARG A 3 -2.629 -5.186 2.490 1.00 0.47 C ATOM 51 C ARG A 3 -1.325 -4.425 2.718 1.00 0.42 C ATOM 52 O ARG A 3 -1.059 -3.951 3.820 1.00 0.58 O ATOM 53 CB ARG A 3 -3.528 -4.480 1.458 1.00 0.64 C ATOM 54 CG ARG A 3 -4.496 -5.478 0.807 1.00 1.98 C ATOM 55 CD ARG A 3 -5.961 -5.090 1.034 1.00 2.29 C ATOM 56 NE ARG A 3 -6.870 -6.166 0.609 1.00 3.95 N ATOM 57 CZ ARG A 3 -7.114 -7.293 1.294 1.00 4.89 C ATOM 58 NH1 ARG A 3 -6.495 -7.516 2.455 1.00 4.68 N ATOM 59 NH2 ARG A 3 -7.970 -8.197 0.820 1.00 6.61 N ATOM 60 H ARG A 3 -4.048 -4.695 3.996 1.00 1.53 H ATOM 61 HA ARG A 3 -2.343 -6.171 2.114 1.00 0.45 H ATOM 62 HB2 ARG A 3 -4.072 -3.663 1.936 1.00 1.03 H ATOM 63 HB3 ARG A 3 -2.915 -4.047 0.667 1.00 1.48 H ATOM 64 HG2 ARG A 3 -4.304 -5.513 -0.267 1.00 3.06 H ATOM 65 HG3 ARG A 3 -4.318 -6.474 1.208 1.00 2.77 H ATOM 66 HD2 ARG A 3 -6.126 -4.869 2.088 1.00 2.23 H ATOM 67 HD3 ARG A 3 -6.179 -4.189 0.458 1.00 2.88 H ATOM 68 HE ARG A 3 -7.332 -6.016 -0.279 1.00 4.82 H ATOM 69 HH11 ARG A 3 -5.814 -6.854 2.787 1.00 3.92 H ATOM 70 HH12 ARG A 3 -6.651 -8.354 2.993 1.00 5.76 H ATOM 71 HH21 ARG A 3 -8.437 -8.058 -0.065 1.00 7.30 H ATOM 72 HH22 ARG A 3 -8.168 -9.055 1.314 1.00 7.47 H ATOM 73 N ILE A 4 -0.513 -4.332 1.666 1.00 0.32 N ATOM 74 CA ILE A 4 0.832 -3.789 1.692 1.00 0.27 C ATOM 75 C ILE A 4 0.962 -2.894 0.480 1.00 0.23 C ATOM 76 O ILE A 4 0.352 -3.160 -0.557 1.00 0.24 O ATOM 77 CB ILE A 4 1.943 -4.863 1.720 1.00 0.38 C ATOM 78 CG1 ILE A 4 1.494 -6.177 2.367 1.00 0.60 C ATOM 79 CG2 ILE A 4 3.153 -4.340 2.494 1.00 0.52 C ATOM 80 CD1 ILE A 4 0.685 -6.963 1.340 1.00 0.74 C ATOM 81 H ILE A 4 -0.818 -4.658 0.759 1.00 0.34 H ATOM 82 HA ILE A 4 0.916 -3.181 2.576 1.00 0.31 H ATOM 83 HB ILE A 4 2.272 -5.074 0.702 1.00 0.38 H ATOM 84 HG12 ILE A 4 2.357 -6.777 2.655 1.00 0.75 H ATOM 85 HG13 ILE A 4 0.899 -5.974 3.258 1.00 0.68 H ATOM 86 HG21 ILE A 4 2.870 -4.129 3.525 1.00 1.99 H ATOM 87 HG22 ILE A 4 3.938 -5.096 2.483 1.00 1.91 H ATOM 88 HG23 ILE A 4 3.536 -3.435 2.023 1.00 1.44 H ATOM 89 HD11 ILE A 4 -0.147 -7.461 1.833 1.00 1.18 H ATOM 90 HD12 ILE A 4 0.311 -6.279 0.582 1.00 1.72 H ATOM 91 HD13 ILE A 4 1.332 -7.686 0.850 1.00 1.56 H ATOM 92 N HIS A 5 1.660 -1.778 0.641 1.00 0.21 N ATOM 93 CA HIS A 5 1.783 -0.792 -0.399 1.00 0.18 C ATOM 94 C HIS A 5 3.004 0.072 -0.107 1.00 0.19 C ATOM 95 O HIS A 5 3.705 -0.126 0.883 1.00 0.25 O ATOM 96 CB HIS A 5 0.505 0.040 -0.553 1.00 0.16 C ATOM 97 CG HIS A 5 -0.315 0.242 0.693 1.00 0.24 C ATOM 98 ND1 HIS A 5 -0.530 1.418 1.374 1.00 0.31 N ATOM 99 CD2 HIS A 5 -1.128 -0.708 1.240 1.00 0.30 C ATOM 100 CE1 HIS A 5 -1.481 1.175 2.294 1.00 0.40 C ATOM 101 NE2 HIS A 5 -1.856 -0.115 2.270 1.00 0.39 N ATOM 102 H HIS A 5 2.167 -1.566 1.489 1.00 0.25 H ATOM 103 HA HIS A 5 1.922 -1.322 -1.333 1.00 0.23 H ATOM 104 HB2 HIS A 5 0.752 1.005 -0.973 1.00 0.18 H ATOM 105 HB3 HIS A 5 -0.114 -0.465 -1.292 1.00 0.18 H ATOM 106 HD1 HIS A 5 -0.118 2.330 1.191 1.00 0.32 H ATOM 107 HD2 HIS A 5 -1.208 -1.713 0.860 1.00 0.32 H ATOM 108 HE1 HIS A 5 -1.929 1.935 2.918 1.00 0.50 H ATOM 109 N ILE A 6 3.252 1.011 -1.009 1.00 0.20 N ATOM 110 CA ILE A 6 4.336 1.963 -0.966 1.00 0.25 C ATOM 111 C ILE A 6 3.894 3.112 -0.059 1.00 0.23 C ATOM 112 O ILE A 6 2.722 3.186 0.306 1.00 0.20 O ATOM 113 CB ILE A 6 4.645 2.396 -2.410 1.00 0.32 C ATOM 114 CG1 ILE A 6 4.874 1.142 -3.270 1.00 0.38 C ATOM 115 CG2 ILE A 6 5.923 3.247 -2.501 1.00 0.41 C ATOM 116 CD1 ILE A 6 3.595 0.482 -3.825 1.00 0.35 C ATOM 117 H ILE A 6 2.585 1.125 -1.751 1.00 0.19 H ATOM 118 HA ILE A 6 5.220 1.474 -0.558 1.00 0.31 H ATOM 119 HB ILE A 6 3.809 2.968 -2.814 1.00 0.31 H ATOM 120 HG12 ILE A 6 5.484 1.431 -4.117 1.00 0.45 H ATOM 121 HG13 ILE A 6 5.451 0.421 -2.691 1.00 0.40 H ATOM 122 HG21 ILE A 6 5.768 4.229 -2.066 1.00 1.46 H ATOM 123 HG22 ILE A 6 6.749 2.739 -2.001 1.00 1.57 H ATOM 124 HG23 ILE A 6 6.191 3.411 -3.545 1.00 1.28 H ATOM 125 HD11 ILE A 6 3.840 -0.061 -4.738 1.00 1.46 H ATOM 126 HD12 ILE A 6 3.172 -0.235 -3.120 1.00 1.47 H ATOM 127 HD13 ILE A 6 2.844 1.239 -4.051 1.00 1.41 H ATOM 128 N GLY A 7 4.823 4.011 0.274 1.00 0.27 N ATOM 129 CA GLY A 7 4.608 5.180 1.128 1.00 0.29 C ATOM 130 C GLY A 7 3.308 5.931 0.818 1.00 0.25 C ATOM 131 O GLY A 7 2.347 5.823 1.573 1.00 0.26 O ATOM 132 H GLY A 7 5.750 3.829 -0.085 1.00 0.31 H ATOM 133 HA2 GLY A 7 4.567 4.846 2.165 1.00 0.32 H ATOM 134 HA3 GLY A 7 5.450 5.864 1.024 1.00 0.34 H ATOM 135 N PRO A 8 3.235 6.682 -0.291 1.00 0.27 N ATOM 136 CA PRO A 8 2.012 7.343 -0.732 1.00 0.28 C ATOM 137 C PRO A 8 1.096 6.376 -1.502 1.00 0.30 C ATOM 138 O PRO A 8 0.264 6.804 -2.299 1.00 0.54 O ATOM 139 CB PRO A 8 2.511 8.476 -1.634 1.00 0.32 C ATOM 140 CG PRO A 8 3.747 7.863 -2.291 1.00 0.35 C ATOM 141 CD PRO A 8 4.339 6.992 -1.181 1.00 0.31 C ATOM 142 HA PRO A 8 1.464 7.757 0.116 1.00 0.29 H ATOM 143 HB2 PRO A 8 1.773 8.794 -2.372 1.00 0.37 H ATOM 144 HB3 PRO A 8 2.811 9.324 -1.017 1.00 0.33 H ATOM 145 HG2 PRO A 8 3.444 7.235 -3.130 1.00 0.36 H ATOM 146 HG3 PRO A 8 4.450 8.630 -2.619 1.00 0.40 H ATOM 147 HD2 PRO A 8 4.763 6.087 -1.607 1.00 0.33 H ATOM 148 HD3 PRO A 8 5.100 7.552 -0.638 1.00 0.33 H ATOM 149 N GLY A 9 1.252 5.069 -1.298 1.00 0.23 N ATOM 150 CA GLY A 9 0.468 4.041 -1.950 1.00 0.25 C ATOM 151 C GLY A 9 -0.633 3.577 -1.004 1.00 0.22 C ATOM 152 O GLY A 9 -0.692 3.986 0.153 1.00 0.35 O ATOM 153 H GLY A 9 1.815 4.761 -0.520 1.00 0.35 H ATOM 154 HA2 GLY A 9 0.026 4.432 -2.867 1.00 0.32 H ATOM 155 HA3 GLY A 9 1.118 3.201 -2.192 1.00 0.29 H ATOM 156 N ARG A 10 -1.517 2.708 -1.497 1.00 0.39 N ATOM 157 CA ARG A 10 -2.786 2.420 -0.821 1.00 0.37 C ATOM 158 C ARG A 10 -3.197 0.956 -0.760 1.00 0.32 C ATOM 159 O ARG A 10 -3.961 0.586 0.122 1.00 0.40 O ATOM 160 CB ARG A 10 -3.908 3.275 -1.409 1.00 0.59 C ATOM 161 CG ARG A 10 -3.763 3.741 -2.868 1.00 1.54 C ATOM 162 CD ARG A 10 -3.606 2.633 -3.922 1.00 1.72 C ATOM 163 NE ARG A 10 -4.657 1.606 -3.864 1.00 0.96 N ATOM 164 CZ ARG A 10 -5.900 1.724 -4.341 1.00 1.81 C ATOM 165 NH1 ARG A 10 -6.326 2.891 -4.825 1.00 2.27 N ATOM 166 NH2 ARG A 10 -6.712 0.668 -4.338 1.00 2.65 N ATOM 167 H ARG A 10 -1.364 2.413 -2.446 1.00 0.65 H ATOM 168 HA ARG A 10 -2.686 2.722 0.222 1.00 0.39 H ATOM 169 HB2 ARG A 10 -4.866 2.773 -1.269 1.00 1.16 H ATOM 170 HB3 ARG A 10 -3.921 4.161 -0.792 1.00 0.47 H ATOM 171 HG2 ARG A 10 -4.639 4.340 -3.112 1.00 2.21 H ATOM 172 HG3 ARG A 10 -2.901 4.407 -2.939 1.00 2.56 H ATOM 173 HD2 ARG A 10 -3.600 3.087 -4.913 1.00 2.63 H ATOM 174 HD3 ARG A 10 -2.647 2.140 -3.796 1.00 2.66 H ATOM 175 HE ARG A 10 -4.344 0.683 -3.578 1.00 0.65 H ATOM 176 HH11 ARG A 10 -5.699 3.681 -4.850 1.00 2.16 H ATOM 177 HH12 ARG A 10 -7.252 3.012 -5.203 1.00 3.00 H ATOM 178 HH21 ARG A 10 -6.378 -0.239 -4.046 1.00 2.60 H ATOM 179 HH22 ARG A 10 -7.653 0.717 -4.698 1.00 3.48 H ATOM 180 N ALA A 11 -2.729 0.161 -1.717 1.00 0.29 N ATOM 181 CA ALA A 11 -2.842 -1.290 -1.847 1.00 0.34 C ATOM 182 C ALA A 11 -2.712 -1.634 -3.320 1.00 0.55 C ATOM 183 O ALA A 11 -3.217 -0.882 -4.151 1.00 0.91 O ATOM 184 CB ALA A 11 -4.187 -1.814 -1.351 1.00 0.41 C ATOM 185 H ALA A 11 -2.260 0.639 -2.459 1.00 0.30 H ATOM 186 HA ALA A 11 -2.040 -1.772 -1.289 1.00 0.43 H ATOM 187 HB1 ALA A 11 -4.227 -1.778 -0.264 1.00 1.61 H ATOM 188 HB2 ALA A 11 -4.971 -1.190 -1.781 1.00 1.42 H ATOM 189 HB3 ALA A 11 -4.311 -2.851 -1.665 1.00 1.52 H ATOM 190 N PHE A 12 -2.082 -2.766 -3.634 1.00 0.56 N ATOM 191 CA PHE A 12 -1.947 -3.229 -5.011 1.00 0.78 C ATOM 192 C PHE A 12 -3.211 -3.911 -5.544 1.00 0.82 C ATOM 193 O PHE A 12 -3.480 -3.837 -6.738 1.00 1.22 O ATOM 194 CB PHE A 12 -0.682 -4.091 -5.141 1.00 1.03 C ATOM 195 CG PHE A 12 -0.495 -5.143 -4.060 1.00 1.17 C ATOM 196 CD1 PHE A 12 -1.309 -6.286 -4.046 1.00 1.78 C ATOM 197 CD2 PHE A 12 0.483 -4.988 -3.058 1.00 2.44 C ATOM 198 CE1 PHE A 12 -1.165 -7.258 -3.044 1.00 1.96 C ATOM 199 CE2 PHE A 12 0.660 -5.980 -2.085 1.00 2.96 C ATOM 200 CZ PHE A 12 -0.166 -7.117 -2.070 1.00 2.20 C ATOM 201 H PHE A 12 -1.661 -3.328 -2.907 1.00 0.63 H ATOM 202 HA PHE A 12 -1.830 -2.357 -5.634 1.00 1.10 H ATOM 203 HB2 PHE A 12 -0.686 -4.578 -6.117 1.00 1.08 H ATOM 204 HB3 PHE A 12 0.178 -3.422 -5.121 1.00 1.45 H ATOM 205 HD1 PHE A 12 -2.045 -6.431 -4.816 1.00 2.85 H ATOM 206 HD2 PHE A 12 1.117 -4.118 -3.010 1.00 3.42 H ATOM 207 HE1 PHE A 12 -1.818 -8.118 -3.045 1.00 2.81 H ATOM 208 HE2 PHE A 12 1.436 -5.855 -1.347 1.00 4.25 H ATOM 209 HZ PHE A 12 -0.031 -7.881 -1.320 1.00 2.68 H ATOM 210 N TYR A 13 -3.995 -4.478 -4.626 1.00 1.07 N ATOM 211 CA TYR A 13 -5.199 -5.281 -4.827 1.00 1.79 C ATOM 212 C TYR A 13 -4.951 -6.599 -5.562 1.00 3.72 C ATOM 213 O TYR A 13 -5.868 -7.441 -5.470 1.00 4.63 O ATOM 214 CB TYR A 13 -6.315 -4.459 -5.476 1.00 1.48 C ATOM 215 CG TYR A 13 -7.272 -3.826 -4.489 1.00 1.46 C ATOM 216 CD1 TYR A 13 -6.820 -2.816 -3.623 1.00 2.10 C ATOM 217 CD2 TYR A 13 -8.609 -4.261 -4.429 1.00 2.79 C ATOM 218 CE1 TYR A 13 -7.706 -2.224 -2.700 1.00 3.10 C ATOM 219 CE2 TYR A 13 -9.502 -3.676 -3.515 1.00 3.59 C ATOM 220 CZ TYR A 13 -9.055 -2.651 -2.652 1.00 3.52 C ATOM 221 OH TYR A 13 -9.934 -2.090 -1.776 1.00 4.69 O ATOM 222 OXT TYR A 13 -3.860 -6.772 -6.142 1.00 4.69 O ATOM 223 H TYR A 13 -3.629 -4.426 -3.704 1.00 1.23 H ATOM 224 HA TYR A 13 -5.557 -5.582 -3.844 1.00 2.31 H ATOM 225 HB2 TYR A 13 -5.906 -3.688 -6.128 1.00 2.09 H ATOM 226 HB3 TYR A 13 -6.874 -5.134 -6.113 1.00 1.96 H ATOM 227 HD1 TYR A 13 -5.783 -2.522 -3.677 1.00 2.75 H ATOM 228 HD2 TYR A 13 -8.950 -5.050 -5.086 1.00 3.67 H ATOM 229 HE1 TYR A 13 -7.356 -1.460 -2.023 1.00 4.09 H ATOM 230 HE2 TYR A 13 -10.530 -4.004 -3.474 1.00 4.75 H ATOM 231 HH TYR A 13 -9.593 -1.327 -1.305 1.00 5.38 H TER 232 TYR A 13 ENDMDL MODEL 18 ATOM 1 N ARG A 1 -4.158 -10.355 8.649 1.00 4.21 N ATOM 2 CA ARG A 1 -4.109 -10.134 7.188 1.00 4.06 C ATOM 3 C ARG A 1 -4.300 -8.643 6.918 1.00 2.58 C ATOM 4 O ARG A 1 -5.435 -8.179 6.824 1.00 2.95 O ATOM 5 CB ARG A 1 -5.169 -10.988 6.464 1.00 5.39 C ATOM 6 CG ARG A 1 -4.777 -12.475 6.462 1.00 6.83 C ATOM 7 CD ARG A 1 -5.892 -13.378 5.912 1.00 8.30 C ATOM 8 NE ARG A 1 -5.669 -14.782 6.297 1.00 9.74 N ATOM 9 CZ ARG A 1 -6.393 -15.836 5.898 1.00 11.28 C ATOM 10 NH1 ARG A 1 -7.355 -15.688 4.988 1.00 11.72 N ATOM 11 NH2 ARG A 1 -6.153 -17.041 6.419 1.00 12.61 N ATOM 12 H1 ARG A 1 -5.060 -10.064 9.000 1.00 4.16 H ATOM 13 H2 ARG A 1 -4.014 -11.331 8.864 1.00 5.17 H ATOM 14 H3 ARG A 1 -3.440 -9.808 9.104 1.00 3.88 H ATOM 15 HA ARG A 1 -3.128 -10.424 6.810 1.00 4.59 H ATOM 16 HB2 ARG A 1 -6.131 -10.867 6.963 1.00 5.66 H ATOM 17 HB3 ARG A 1 -5.269 -10.650 5.432 1.00 5.53 H ATOM 18 HG2 ARG A 1 -3.880 -12.610 5.856 1.00 7.10 H ATOM 19 HG3 ARG A 1 -4.556 -12.785 7.483 1.00 6.93 H ATOM 20 HD2 ARG A 1 -6.849 -13.055 6.323 1.00 8.46 H ATOM 21 HD3 ARG A 1 -5.924 -13.287 4.825 1.00 8.42 H ATOM 22 HE ARG A 1 -4.923 -14.939 6.959 1.00 9.74 H ATOM 23 HH11 ARG A 1 -7.532 -14.784 4.581 1.00 10.95 H ATOM 24 HH12 ARG A 1 -7.913 -16.466 4.666 1.00 12.98 H ATOM 25 HH21 ARG A 1 -5.442 -17.181 7.121 1.00 12.60 H ATOM 26 HH22 ARG A 1 -6.687 -17.852 6.142 1.00 13.82 H ATOM 27 N LYS A 2 -3.208 -7.873 6.860 1.00 1.66 N ATOM 28 CA LYS A 2 -3.274 -6.452 6.524 1.00 0.85 C ATOM 29 C LYS A 2 -3.074 -6.305 5.013 1.00 0.77 C ATOM 30 O LYS A 2 -2.937 -7.315 4.326 1.00 1.77 O ATOM 31 CB LYS A 2 -2.257 -5.645 7.353 1.00 2.21 C ATOM 32 CG LYS A 2 -0.790 -6.018 7.084 1.00 3.78 C ATOM 33 CD LYS A 2 0.183 -5.001 7.708 1.00 5.32 C ATOM 34 CE LYS A 2 0.812 -5.528 9.004 1.00 6.92 C ATOM 35 NZ LYS A 2 1.777 -4.561 9.577 1.00 8.33 N ATOM 36 H LYS A 2 -2.290 -8.291 6.832 1.00 2.43 H ATOM 37 HA LYS A 2 -4.268 -6.075 6.766 1.00 1.36 H ATOM 38 HB2 LYS A 2 -2.401 -4.588 7.124 1.00 2.51 H ATOM 39 HB3 LYS A 2 -2.472 -5.784 8.414 1.00 3.13 H ATOM 40 HG2 LYS A 2 -0.582 -7.014 7.475 1.00 4.16 H ATOM 41 HG3 LYS A 2 -0.618 -6.032 6.009 1.00 4.30 H ATOM 42 HD2 LYS A 2 0.979 -4.807 6.987 1.00 6.00 H ATOM 43 HD3 LYS A 2 -0.333 -4.060 7.902 1.00 5.19 H ATOM 44 HE2 LYS A 2 0.026 -5.736 9.731 1.00 6.77 H ATOM 45 HE3 LYS A 2 1.333 -6.462 8.781 1.00 7.65 H ATOM 46 HZ1 LYS A 2 2.248 -4.968 10.374 1.00 9.06 H ATOM 47 HZ2 LYS A 2 2.472 -4.309 8.887 1.00 8.92 H ATOM 48 HZ3 LYS A 2 1.298 -3.722 9.878 1.00 8.35 H ATOM 49 N ARG A 3 -3.075 -5.078 4.489 1.00 0.99 N ATOM 50 CA ARG A 3 -2.694 -4.821 3.104 1.00 0.89 C ATOM 51 C ARG A 3 -1.252 -4.322 3.094 1.00 0.59 C ATOM 52 O ARG A 3 -0.686 -4.073 4.158 1.00 0.69 O ATOM 53 CB ARG A 3 -3.634 -3.797 2.451 1.00 1.22 C ATOM 54 CG ARG A 3 -5.092 -4.266 2.326 1.00 1.95 C ATOM 55 CD ARG A 3 -5.982 -3.862 3.511 1.00 2.80 C ATOM 56 NE ARG A 3 -6.131 -4.918 4.525 1.00 4.04 N ATOM 57 CZ ARG A 3 -6.787 -4.751 5.683 1.00 4.91 C ATOM 58 NH1 ARG A 3 -7.268 -3.552 6.010 1.00 4.80 N ATOM 59 NH2 ARG A 3 -6.959 -5.775 6.520 1.00 6.43 N ATOM 60 H ARG A 3 -3.102 -4.274 5.099 1.00 1.88 H ATOM 61 HA ARG A 3 -2.727 -5.753 2.534 1.00 0.91 H ATOM 62 HB2 ARG A 3 -3.588 -2.851 2.993 1.00 1.93 H ATOM 63 HB3 ARG A 3 -3.268 -3.608 1.440 1.00 1.54 H ATOM 64 HG2 ARG A 3 -5.505 -3.780 1.441 1.00 2.65 H ATOM 65 HG3 ARG A 3 -5.134 -5.343 2.157 1.00 2.58 H ATOM 66 HD2 ARG A 3 -5.582 -2.955 3.966 1.00 3.50 H ATOM 67 HD3 ARG A 3 -6.975 -3.636 3.119 1.00 3.13 H ATOM 68 HE ARG A 3 -5.805 -5.836 4.256 1.00 4.76 H ATOM 69 HH11 ARG A 3 -7.154 -2.775 5.378 1.00 4.44 H ATOM 70 HH12 ARG A 3 -7.772 -3.385 6.869 1.00 5.62 H ATOM 71 HH21 ARG A 3 -6.605 -6.704 6.314 1.00 7.20 H ATOM 72 HH22 ARG A 3 -7.473 -5.673 7.381 1.00 7.12 H ATOM 73 N ILE A 4 -0.650 -4.213 1.907 1.00 0.48 N ATOM 74 CA ILE A 4 0.754 -3.872 1.728 1.00 0.29 C ATOM 75 C ILE A 4 0.863 -2.996 0.501 1.00 0.25 C ATOM 76 O ILE A 4 0.200 -3.256 -0.504 1.00 0.25 O ATOM 77 CB ILE A 4 1.692 -5.090 1.597 1.00 0.59 C ATOM 78 CG1 ILE A 4 1.160 -6.339 2.301 1.00 0.86 C ATOM 79 CG2 ILE A 4 3.062 -4.751 2.186 1.00 0.81 C ATOM 80 CD1 ILE A 4 0.115 -6.997 1.408 1.00 1.03 C ATOM 81 H ILE A 4 -1.162 -4.382 1.053 1.00 0.69 H ATOM 82 HA ILE A 4 1.049 -3.299 2.589 1.00 0.38 H ATOM 83 HB ILE A 4 1.841 -5.319 0.541 1.00 0.65 H ATOM 84 HG12 ILE A 4 1.965 -7.053 2.473 1.00 1.13 H ATOM 85 HG13 ILE A 4 0.728 -6.063 3.260 1.00 0.80 H ATOM 86 HG21 ILE A 4 3.724 -5.609 2.066 1.00 2.13 H ATOM 87 HG22 ILE A 4 3.494 -3.900 1.660 1.00 1.57 H ATOM 88 HG23 ILE A 4 2.961 -4.519 3.246 1.00 1.35 H ATOM 89 HD11 ILE A 4 0.599 -7.752 0.791 1.00 1.53 H ATOM 90 HD12 ILE A 4 -0.666 -7.440 2.023 1.00 2.13 H ATOM 91 HD13 ILE A 4 -0.315 -6.248 0.751 1.00 2.34 H ATOM 92 N HIS A 5 1.618 -1.909 0.607 1.00 0.25 N ATOM 93 CA HIS A 5 1.698 -0.921 -0.438 1.00 0.21 C ATOM 94 C HIS A 5 2.942 -0.064 -0.223 1.00 0.22 C ATOM 95 O HIS A 5 3.709 -0.278 0.714 1.00 0.27 O ATOM 96 CB HIS A 5 0.419 -0.079 -0.523 1.00 0.21 C ATOM 97 CG HIS A 5 -0.426 -0.015 0.723 1.00 0.38 C ATOM 98 ND1 HIS A 5 -0.557 1.059 1.570 1.00 0.50 N ATOM 99 CD2 HIS A 5 -1.296 -0.984 1.141 1.00 0.51 C ATOM 100 CE1 HIS A 5 -1.483 0.730 2.489 1.00 0.62 C ATOM 101 NE2 HIS A 5 -1.939 -0.519 2.290 1.00 0.61 N ATOM 102 H HIS A 5 2.186 -1.719 1.420 1.00 0.29 H ATOM 103 HA HIS A 5 1.775 -1.454 -1.379 1.00 0.23 H ATOM 104 HB2 HIS A 5 0.657 0.930 -0.835 1.00 0.20 H ATOM 105 HB3 HIS A 5 -0.170 -0.518 -1.322 1.00 0.21 H ATOM 106 HD1 HIS A 5 -0.116 1.970 1.459 1.00 0.53 H ATOM 107 HD2 HIS A 5 -1.472 -1.914 0.619 1.00 0.58 H ATOM 108 HE1 HIS A 5 -1.858 1.402 3.249 1.00 0.78 H ATOM 109 N ILE A 6 3.135 0.886 -1.130 1.00 0.19 N ATOM 110 CA ILE A 6 4.224 1.838 -1.161 1.00 0.21 C ATOM 111 C ILE A 6 3.847 2.992 -0.232 1.00 0.19 C ATOM 112 O ILE A 6 2.697 3.086 0.185 1.00 0.18 O ATOM 113 CB ILE A 6 4.429 2.282 -2.620 1.00 0.25 C ATOM 114 CG1 ILE A 6 4.609 1.036 -3.501 1.00 0.30 C ATOM 115 CG2 ILE A 6 5.688 3.149 -2.795 1.00 0.30 C ATOM 116 CD1 ILE A 6 3.299 0.374 -3.973 1.00 0.28 C ATOM 117 H ILE A 6 2.411 1.013 -1.813 1.00 0.18 H ATOM 118 HA ILE A 6 5.135 1.351 -0.816 1.00 0.26 H ATOM 119 HB ILE A 6 3.561 2.846 -2.962 1.00 0.24 H ATOM 120 HG12 ILE A 6 5.159 1.334 -4.385 1.00 0.36 H ATOM 121 HG13 ILE A 6 5.229 0.316 -2.967 1.00 0.32 H ATOM 122 HG21 ILE A 6 5.876 3.327 -3.855 1.00 1.56 H ATOM 123 HG22 ILE A 6 5.556 4.126 -2.341 1.00 1.55 H ATOM 124 HG23 ILE A 6 6.556 2.647 -2.364 1.00 1.57 H ATOM 125 HD11 ILE A 6 2.536 1.131 -4.159 1.00 1.52 H ATOM 126 HD12 ILE A 6 3.487 -0.175 -4.896 1.00 1.53 H ATOM 127 HD13 ILE A 6 2.918 -0.337 -3.239 1.00 1.52 H ATOM 128 N GLY A 7 4.801 3.878 0.058 1.00 0.21 N ATOM 129 CA GLY A 7 4.638 5.047 0.927 1.00 0.22 C ATOM 130 C GLY A 7 3.314 5.794 0.716 1.00 0.24 C ATOM 131 O GLY A 7 2.414 5.685 1.541 1.00 0.27 O ATOM 132 H GLY A 7 5.707 3.689 -0.348 1.00 0.23 H ATOM 133 HA2 GLY A 7 4.674 4.712 1.963 1.00 0.26 H ATOM 134 HA3 GLY A 7 5.467 5.736 0.766 1.00 0.24 H ATOM 135 N PRO A 8 3.165 6.557 -0.378 1.00 0.26 N ATOM 136 CA PRO A 8 1.920 7.242 -0.712 1.00 0.32 C ATOM 137 C PRO A 8 0.934 6.317 -1.443 1.00 0.35 C ATOM 138 O PRO A 8 -0.008 6.789 -2.076 1.00 0.61 O ATOM 139 CB PRO A 8 2.364 8.395 -1.617 1.00 0.36 C ATOM 140 CG PRO A 8 3.550 7.797 -2.370 1.00 0.33 C ATOM 141 CD PRO A 8 4.211 6.897 -1.324 1.00 0.27 C ATOM 142 HA PRO A 8 1.441 7.637 0.186 1.00 0.34 H ATOM 143 HB2 PRO A 8 1.578 8.730 -2.296 1.00 0.41 H ATOM 144 HB3 PRO A 8 2.706 9.227 -1.000 1.00 0.37 H ATOM 145 HG2 PRO A 8 3.189 7.191 -3.203 1.00 0.33 H ATOM 146 HG3 PRO A 8 4.233 8.570 -2.725 1.00 0.37 H ATOM 147 HD2 PRO A 8 4.613 6.006 -1.801 1.00 0.27 H ATOM 148 HD3 PRO A 8 5.001 7.446 -0.812 1.00 0.28 H ATOM 149 N GLY A 9 1.140 5.000 -1.394 1.00 0.22 N ATOM 150 CA GLY A 9 0.279 4.034 -2.045 1.00 0.22 C ATOM 151 C GLY A 9 -0.706 3.485 -1.025 1.00 0.25 C ATOM 152 O GLY A 9 -0.437 3.493 0.174 1.00 0.58 O ATOM 153 H GLY A 9 1.804 4.629 -0.732 1.00 0.34 H ATOM 154 HA2 GLY A 9 -0.258 4.501 -2.872 1.00 0.30 H ATOM 155 HA3 GLY A 9 0.890 3.217 -2.427 1.00 0.26 H ATOM 156 N ARG A 10 -1.846 2.974 -1.494 1.00 0.31 N ATOM 157 CA ARG A 10 -2.890 2.475 -0.600 1.00 0.31 C ATOM 158 C ARG A 10 -3.128 0.982 -0.689 1.00 0.27 C ATOM 159 O ARG A 10 -3.847 0.430 0.133 1.00 0.44 O ATOM 160 CB ARG A 10 -4.195 3.218 -0.819 1.00 0.59 C ATOM 161 CG ARG A 10 -4.995 2.801 -2.058 1.00 1.32 C ATOM 162 CD ARG A 10 -4.399 3.280 -3.388 1.00 1.57 C ATOM 163 NE ARG A 10 -3.705 2.241 -4.171 1.00 1.49 N ATOM 164 CZ ARG A 10 -3.316 2.432 -5.444 1.00 2.63 C ATOM 165 NH1 ARG A 10 -3.363 3.652 -5.980 1.00 3.39 N ATOM 166 NH2 ARG A 10 -2.886 1.414 -6.188 1.00 3.21 N ATOM 167 H ARG A 10 -2.028 3.026 -2.485 1.00 0.63 H ATOM 168 HA ARG A 10 -2.606 2.673 0.428 1.00 0.41 H ATOM 169 HB2 ARG A 10 -4.802 2.993 0.053 1.00 1.06 H ATOM 170 HB3 ARG A 10 -3.995 4.287 -0.842 1.00 0.42 H ATOM 171 HG2 ARG A 10 -5.148 1.724 -2.070 1.00 2.24 H ATOM 172 HG3 ARG A 10 -5.976 3.264 -1.958 1.00 2.53 H ATOM 173 HD2 ARG A 10 -5.235 3.627 -3.994 1.00 2.36 H ATOM 174 HD3 ARG A 10 -3.729 4.116 -3.197 1.00 2.57 H ATOM 175 HE ARG A 10 -3.696 1.295 -3.807 1.00 0.99 H ATOM 176 HH11 ARG A 10 -3.685 4.438 -5.437 1.00 3.15 H ATOM 177 HH12 ARG A 10 -3.082 3.821 -6.934 1.00 4.32 H ATOM 178 HH21 ARG A 10 -2.789 0.490 -5.782 1.00 2.70 H ATOM 179 HH22 ARG A 10 -2.659 1.499 -7.166 1.00 4.15 H ATOM 180 N ALA A 11 -2.595 0.371 -1.740 1.00 0.28 N ATOM 181 CA ALA A 11 -2.687 -1.035 -2.083 1.00 0.49 C ATOM 182 C ALA A 11 -2.141 -1.218 -3.491 1.00 0.67 C ATOM 183 O ALA A 11 -1.909 -0.233 -4.189 1.00 0.98 O ATOM 184 CB ALA A 11 -4.134 -1.502 -2.014 1.00 0.78 C ATOM 185 H ALA A 11 -2.063 0.945 -2.369 1.00 0.31 H ATOM 186 HA ALA A 11 -2.089 -1.634 -1.399 1.00 0.49 H ATOM 187 HB1 ALA A 11 -4.777 -0.768 -2.511 1.00 1.91 H ATOM 188 HB2 ALA A 11 -4.220 -2.471 -2.494 1.00 1.61 H ATOM 189 HB3 ALA A 11 -4.407 -1.624 -0.965 1.00 1.04 H ATOM 190 N PHE A 12 -1.989 -2.471 -3.904 1.00 0.81 N ATOM 191 CA PHE A 12 -1.491 -2.875 -5.215 1.00 0.94 C ATOM 192 C PHE A 12 -2.571 -3.447 -6.133 1.00 1.04 C ATOM 193 O PHE A 12 -2.275 -3.854 -7.252 1.00 1.25 O ATOM 194 CB PHE A 12 -0.385 -3.910 -5.005 1.00 1.06 C ATOM 195 CG PHE A 12 -0.639 -4.979 -3.950 1.00 1.12 C ATOM 196 CD1 PHE A 12 -1.831 -5.732 -3.937 1.00 1.89 C ATOM 197 CD2 PHE A 12 0.341 -5.232 -2.970 1.00 2.51 C ATOM 198 CE1 PHE A 12 -2.052 -6.698 -2.941 1.00 1.89 C ATOM 199 CE2 PHE A 12 0.137 -6.226 -2.001 1.00 2.75 C ATOM 200 CZ PHE A 12 -1.066 -6.950 -1.975 1.00 1.60 C ATOM 201 H PHE A 12 -2.169 -3.206 -3.235 1.00 0.97 H ATOM 202 HA PHE A 12 -1.069 -2.011 -5.726 1.00 1.03 H ATOM 203 HB2 PHE A 12 -0.207 -4.404 -5.955 1.00 1.07 H ATOM 204 HB3 PHE A 12 0.508 -3.356 -4.732 1.00 1.26 H ATOM 205 HD1 PHE A 12 -2.589 -5.598 -4.690 1.00 3.21 H ATOM 206 HD2 PHE A 12 1.263 -4.672 -2.948 1.00 3.77 H ATOM 207 HE1 PHE A 12 -2.974 -7.260 -2.936 1.00 3.07 H ATOM 208 HE2 PHE A 12 0.912 -6.426 -1.280 1.00 4.17 H ATOM 209 HZ PHE A 12 -1.227 -7.708 -1.223 1.00 1.86 H ATOM 210 N TYR A 13 -3.796 -3.528 -5.622 1.00 1.13 N ATOM 211 CA TYR A 13 -4.961 -3.987 -6.366 1.00 1.42 C ATOM 212 C TYR A 13 -5.145 -3.118 -7.606 1.00 2.21 C ATOM 213 O TYR A 13 -5.616 -3.677 -8.618 1.00 2.77 O ATOM 214 CB TYR A 13 -6.229 -3.912 -5.506 1.00 1.21 C ATOM 215 CG TYR A 13 -6.151 -4.590 -4.152 1.00 1.47 C ATOM 216 CD1 TYR A 13 -5.888 -5.968 -4.061 1.00 2.82 C ATOM 217 CD2 TYR A 13 -6.368 -3.841 -2.981 1.00 1.84 C ATOM 218 CE1 TYR A 13 -5.825 -6.597 -2.803 1.00 3.49 C ATOM 219 CE2 TYR A 13 -6.286 -4.454 -1.720 1.00 2.53 C ATOM 220 CZ TYR A 13 -6.014 -5.837 -1.625 1.00 3.06 C ATOM 221 OH TYR A 13 -5.947 -6.423 -0.395 1.00 3.96 O ATOM 222 OXT TYR A 13 -4.861 -1.902 -7.486 1.00 2.79 O ATOM 223 H TYR A 13 -3.891 -3.183 -4.691 1.00 1.19 H ATOM 224 HA TYR A 13 -4.796 -5.016 -6.683 1.00 1.89 H ATOM 225 HB2 TYR A 13 -6.479 -2.860 -5.365 1.00 1.37 H ATOM 226 HB3 TYR A 13 -7.048 -4.362 -6.069 1.00 1.46 H ATOM 227 HD1 TYR A 13 -5.749 -6.546 -4.964 1.00 3.69 H ATOM 228 HD2 TYR A 13 -6.597 -2.788 -3.050 1.00 2.53 H ATOM 229 HE1 TYR A 13 -5.636 -7.659 -2.759 1.00 4.69 H ATOM 230 HE2 TYR A 13 -6.445 -3.874 -0.825 1.00 3.30 H ATOM 231 HH TYR A 13 -5.866 -7.377 -0.441 1.00 4.79 H TER 232 TYR A 13 ENDMDL MODEL 19 ATOM 1 N ARG A 1 -6.934 -9.646 8.041 1.00 5.31 N ATOM 2 CA ARG A 1 -5.989 -9.546 6.910 1.00 4.76 C ATOM 3 C ARG A 1 -5.299 -8.195 7.004 1.00 2.90 C ATOM 4 O ARG A 1 -5.931 -7.253 7.469 1.00 3.02 O ATOM 5 CB ARG A 1 -6.707 -9.682 5.555 1.00 6.09 C ATOM 6 CG ARG A 1 -6.946 -11.150 5.178 1.00 7.78 C ATOM 7 CD ARG A 1 -7.625 -11.247 3.805 1.00 9.20 C ATOM 8 NE ARG A 1 -7.604 -12.624 3.286 1.00 10.74 N ATOM 9 CZ ARG A 1 -7.862 -12.976 2.018 1.00 12.25 C ATOM 10 NH1 ARG A 1 -8.259 -12.059 1.134 1.00 12.61 N ATOM 11 NH2 ARG A 1 -7.719 -14.245 1.634 1.00 13.68 N ATOM 12 H1 ARG A 1 -7.562 -8.851 8.004 1.00 5.32 H ATOM 13 H2 ARG A 1 -7.458 -10.507 8.001 1.00 6.56 H ATOM 14 H3 ARG A 1 -6.424 -9.591 8.911 1.00 4.77 H ATOM 15 HA ARG A 1 -5.234 -10.328 6.995 1.00 5.20 H ATOM 16 HB2 ARG A 1 -7.657 -9.146 5.584 1.00 6.59 H ATOM 17 HB3 ARG A 1 -6.086 -9.233 4.779 1.00 5.75 H ATOM 18 HG2 ARG A 1 -5.982 -11.660 5.135 1.00 7.76 H ATOM 19 HG3 ARG A 1 -7.573 -11.634 5.928 1.00 8.35 H ATOM 20 HD2 ARG A 1 -8.658 -10.906 3.890 1.00 9.73 H ATOM 21 HD3 ARG A 1 -7.094 -10.600 3.106 1.00 8.84 H ATOM 22 HE ARG A 1 -7.346 -13.342 3.948 1.00 10.87 H ATOM 23 HH11 ARG A 1 -8.396 -11.104 1.425 1.00 11.81 H ATOM 24 HH12 ARG A 1 -8.458 -12.290 0.172 1.00 13.90 H ATOM 25 HH21 ARG A 1 -7.415 -14.960 2.278 1.00 13.77 H ATOM 26 HH22 ARG A 1 -7.900 -14.534 0.684 1.00 14.89 H ATOM 27 N LYS A 2 -4.038 -8.097 6.579 1.00 1.96 N ATOM 28 CA LYS A 2 -3.378 -6.810 6.393 1.00 0.82 C ATOM 29 C LYS A 2 -3.313 -6.527 4.895 1.00 0.81 C ATOM 30 O LYS A 2 -3.690 -7.384 4.097 1.00 2.07 O ATOM 31 CB LYS A 2 -2.010 -6.773 7.084 1.00 2.54 C ATOM 32 CG LYS A 2 -1.032 -7.786 6.492 1.00 4.21 C ATOM 33 CD LYS A 2 0.373 -7.561 7.047 1.00 6.01 C ATOM 34 CE LYS A 2 1.275 -8.507 6.264 1.00 8.12 C ATOM 35 NZ LYS A 2 2.701 -8.380 6.644 1.00 9.77 N ATOM 36 H LYS A 2 -3.593 -8.883 6.126 1.00 2.87 H ATOM 37 HA LYS A 2 -3.971 -6.029 6.852 1.00 1.45 H ATOM 38 HB2 LYS A 2 -1.591 -5.772 6.979 1.00 2.93 H ATOM 39 HB3 LYS A 2 -2.135 -6.973 8.149 1.00 3.45 H ATOM 40 HG2 LYS A 2 -1.359 -8.799 6.731 1.00 4.43 H ATOM 41 HG3 LYS A 2 -0.997 -7.672 5.408 1.00 4.72 H ATOM 42 HD2 LYS A 2 0.680 -6.528 6.876 1.00 6.05 H ATOM 43 HD3 LYS A 2 0.400 -7.792 8.113 1.00 6.35 H ATOM 44 HE2 LYS A 2 0.923 -9.525 6.440 1.00 8.45 H ATOM 45 HE3 LYS A 2 1.143 -8.275 5.206 1.00 8.47 H ATOM 46 HZ1 LYS A 2 3.027 -7.438 6.470 1.00 9.92 H ATOM 47 HZ2 LYS A 2 2.824 -8.594 7.624 1.00 9.97 H ATOM 48 HZ3 LYS A 2 3.263 -9.022 6.101 1.00 10.93 H ATOM 49 N ARG A 3 -2.811 -5.355 4.518 1.00 0.95 N ATOM 50 CA ARG A 3 -2.546 -4.982 3.136 1.00 0.82 C ATOM 51 C ARG A 3 -1.162 -4.353 3.101 1.00 0.60 C ATOM 52 O ARG A 3 -0.616 -4.047 4.161 1.00 0.72 O ATOM 53 CB ARG A 3 -3.628 -4.033 2.613 1.00 1.22 C ATOM 54 CG ARG A 3 -3.717 -2.754 3.453 1.00 3.23 C ATOM 55 CD ARG A 3 -4.622 -1.750 2.746 1.00 3.72 C ATOM 56 NE ARG A 3 -4.525 -0.430 3.374 1.00 5.43 N ATOM 57 CZ ARG A 3 -5.120 -0.051 4.511 1.00 6.33 C ATOM 58 NH1 ARG A 3 -5.969 -0.873 5.131 1.00 5.76 N ATOM 59 NH2 ARG A 3 -4.864 1.147 5.038 1.00 8.03 N ATOM 60 H ARG A 3 -2.426 -4.727 5.211 1.00 2.01 H ATOM 61 HA ARG A 3 -2.539 -5.873 2.509 1.00 0.77 H ATOM 62 HB2 ARG A 3 -3.392 -3.771 1.581 1.00 0.96 H ATOM 63 HB3 ARG A 3 -4.593 -4.541 2.626 1.00 2.25 H ATOM 64 HG2 ARG A 3 -4.114 -2.982 4.442 1.00 4.17 H ATOM 65 HG3 ARG A 3 -2.727 -2.310 3.563 1.00 4.33 H ATOM 66 HD2 ARG A 3 -4.283 -1.658 1.715 1.00 3.86 H ATOM 67 HD3 ARG A 3 -5.650 -2.111 2.739 1.00 3.61 H ATOM 68 HE ARG A 3 -3.865 0.179 2.894 1.00 6.12 H ATOM 69 HH11 ARG A 3 -6.175 -1.771 4.723 1.00 4.74 H ATOM 70 HH12 ARG A 3 -6.436 -0.622 5.989 1.00 6.56 H ATOM 71 HH21 ARG A 3 -4.218 1.774 4.583 1.00 8.68 H ATOM 72 HH22 ARG A 3 -5.292 1.456 5.898 1.00 8.79 H ATOM 73 N ILE A 4 -0.581 -4.196 1.913 1.00 0.48 N ATOM 74 CA ILE A 4 0.802 -3.774 1.757 1.00 0.28 C ATOM 75 C ILE A 4 0.871 -2.898 0.529 1.00 0.22 C ATOM 76 O ILE A 4 0.162 -3.141 -0.447 1.00 0.23 O ATOM 77 CB ILE A 4 1.815 -4.936 1.664 1.00 0.43 C ATOM 78 CG1 ILE A 4 1.363 -6.192 2.412 1.00 0.65 C ATOM 79 CG2 ILE A 4 3.150 -4.496 2.268 1.00 0.58 C ATOM 80 CD1 ILE A 4 0.390 -6.973 1.537 1.00 0.79 C ATOM 81 H ILE A 4 -1.074 -4.403 1.056 1.00 0.63 H ATOM 82 HA ILE A 4 1.046 -3.178 2.616 1.00 0.35 H ATOM 83 HB ILE A 4 1.987 -5.191 0.619 1.00 0.49 H ATOM 84 HG12 ILE A 4 2.215 -6.833 2.632 1.00 0.83 H ATOM 85 HG13 ILE A 4 0.893 -5.906 3.350 1.00 0.64 H ATOM 86 HG21 ILE A 4 3.523 -3.609 1.757 1.00 1.27 H ATOM 87 HG22 ILE A 4 3.023 -4.281 3.330 1.00 1.43 H ATOM 88 HG23 ILE A 4 3.881 -5.297 2.149 1.00 1.52 H ATOM 89 HD11 ILE A 4 -0.297 -7.536 2.164 1.00 1.35 H ATOM 90 HD12 ILE A 4 -0.167 -6.281 0.912 1.00 1.81 H ATOM 91 HD13 ILE A 4 0.955 -7.638 0.889 1.00 1.46 H ATOM 92 N HIS A 5 1.650 -1.825 0.612 1.00 0.22 N ATOM 93 CA HIS A 5 1.740 -0.869 -0.457 1.00 0.19 C ATOM 94 C HIS A 5 2.999 -0.027 -0.276 1.00 0.21 C ATOM 95 O HIS A 5 3.761 -0.212 0.670 1.00 0.26 O ATOM 96 CB HIS A 5 0.483 -0.004 -0.548 1.00 0.17 C ATOM 97 CG HIS A 5 -0.251 0.217 0.745 1.00 0.24 C ATOM 98 ND1 HIS A 5 -0.273 1.373 1.485 1.00 0.37 N ATOM 99 CD2 HIS A 5 -1.114 -0.672 1.321 1.00 0.27 C ATOM 100 CE1 HIS A 5 -1.152 1.188 2.484 1.00 0.45 C ATOM 101 NE2 HIS A 5 -1.677 -0.050 2.442 1.00 0.37 N ATOM 102 H HIS A 5 2.235 -1.627 1.414 1.00 0.26 H ATOM 103 HA HIS A 5 1.786 -1.433 -1.380 1.00 0.21 H ATOM 104 HB2 HIS A 5 0.725 0.958 -0.981 1.00 0.19 H ATOM 105 HB3 HIS A 5 -0.177 -0.494 -1.255 1.00 0.17 H ATOM 106 HD1 HIS A 5 0.201 2.248 1.267 1.00 0.43 H ATOM 107 HD2 HIS A 5 -1.338 -1.647 0.902 1.00 0.31 H ATOM 108 HE1 HIS A 5 -1.445 1.960 3.180 1.00 0.61 H ATOM 109 N ILE A 6 3.194 0.887 -1.217 1.00 0.21 N ATOM 110 CA ILE A 6 4.256 1.862 -1.270 1.00 0.24 C ATOM 111 C ILE A 6 3.856 3.022 -0.359 1.00 0.22 C ATOM 112 O ILE A 6 2.695 3.119 0.031 1.00 0.21 O ATOM 113 CB ILE A 6 4.430 2.286 -2.739 1.00 0.29 C ATOM 114 CG1 ILE A 6 4.628 1.029 -3.605 1.00 0.33 C ATOM 115 CG2 ILE A 6 5.658 3.187 -2.946 1.00 0.36 C ATOM 116 CD1 ILE A 6 3.325 0.378 -4.109 1.00 0.32 C ATOM 117 H ILE A 6 2.469 0.994 -1.903 1.00 0.20 H ATOM 118 HA ILE A 6 5.182 1.403 -0.922 1.00 0.28 H ATOM 119 HB ILE A 6 3.543 2.825 -3.077 1.00 0.28 H ATOM 120 HG12 ILE A 6 5.209 1.313 -4.475 1.00 0.37 H ATOM 121 HG13 ILE A 6 5.224 0.309 -3.044 1.00 0.34 H ATOM 122 HG21 ILE A 6 6.551 2.706 -2.545 1.00 1.45 H ATOM 123 HG22 ILE A 6 5.804 3.377 -4.010 1.00 1.73 H ATOM 124 HG23 ILE A 6 5.509 4.153 -2.478 1.00 1.55 H ATOM 125 HD11 ILE A 6 3.553 -0.262 -4.961 1.00 1.51 H ATOM 126 HD12 ILE A 6 2.852 -0.244 -3.347 1.00 1.36 H ATOM 127 HD13 ILE A 6 2.618 1.146 -4.424 1.00 1.45 H ATOM 128 N GLY A 7 4.813 3.901 -0.056 1.00 0.23 N ATOM 129 CA GLY A 7 4.655 5.074 0.806 1.00 0.23 C ATOM 130 C GLY A 7 3.340 5.828 0.575 1.00 0.23 C ATOM 131 O GLY A 7 2.415 5.699 1.371 1.00 0.27 O ATOM 132 H GLY A 7 5.720 3.707 -0.455 1.00 0.26 H ATOM 133 HA2 GLY A 7 4.680 4.744 1.845 1.00 0.26 H ATOM 134 HA3 GLY A 7 5.492 5.754 0.648 1.00 0.25 H ATOM 135 N PRO A 8 3.221 6.612 -0.505 1.00 0.23 N ATOM 136 CA PRO A 8 1.993 7.317 -0.855 1.00 0.27 C ATOM 137 C PRO A 8 1.012 6.407 -1.610 1.00 0.31 C ATOM 138 O PRO A 8 0.166 6.890 -2.359 1.00 0.55 O ATOM 139 CB PRO A 8 2.474 8.469 -1.743 1.00 0.31 C ATOM 140 CG PRO A 8 3.632 7.825 -2.504 1.00 0.30 C ATOM 141 CD PRO A 8 4.286 6.953 -1.431 1.00 0.25 C ATOM 142 HA PRO A 8 1.504 7.712 0.037 1.00 0.28 H ATOM 143 HB2 PRO A 8 1.701 8.845 -2.415 1.00 0.36 H ATOM 144 HB3 PRO A 8 2.853 9.276 -1.117 1.00 0.32 H ATOM 145 HG2 PRO A 8 3.242 7.195 -3.305 1.00 0.31 H ATOM 146 HG3 PRO A 8 4.322 8.570 -2.900 1.00 0.34 H ATOM 147 HD2 PRO A 8 4.718 6.064 -1.883 1.00 0.26 H ATOM 148 HD3 PRO A 8 5.052 7.525 -0.908 1.00 0.25 H ATOM 149 N GLY A 9 1.116 5.088 -1.447 1.00 0.21 N ATOM 150 CA GLY A 9 0.235 4.129 -2.082 1.00 0.25 C ATOM 151 C GLY A 9 -0.755 3.632 -1.037 1.00 0.21 C ATOM 152 O GLY A 9 -0.519 3.784 0.160 1.00 0.37 O ATOM 153 H GLY A 9 1.690 4.724 -0.699 1.00 0.33 H ATOM 154 HA2 GLY A 9 -0.297 4.587 -2.916 1.00 0.33 H ATOM 155 HA3 GLY A 9 0.830 3.291 -2.446 1.00 0.30 H ATOM 156 N ARG A 10 -1.858 3.015 -1.470 1.00 0.33 N ATOM 157 CA ARG A 10 -2.890 2.551 -0.540 1.00 0.31 C ATOM 158 C ARG A 10 -3.088 1.048 -0.532 1.00 0.24 C ATOM 159 O ARG A 10 -3.698 0.522 0.393 1.00 0.38 O ATOM 160 CB ARG A 10 -4.217 3.259 -0.777 1.00 0.61 C ATOM 161 CG ARG A 10 -5.044 2.733 -1.961 1.00 1.38 C ATOM 162 CD ARG A 10 -4.504 3.133 -3.340 1.00 1.50 C ATOM 163 NE ARG A 10 -4.059 2.006 -4.183 1.00 1.21 N ATOM 164 CZ ARG A 10 -3.848 2.101 -5.506 1.00 2.20 C ATOM 165 NH1 ARG A 10 -3.831 3.303 -6.088 1.00 3.02 N ATOM 166 NH2 ARG A 10 -3.669 1.016 -6.254 1.00 2.62 N ATOM 167 H ARG A 10 -2.013 2.951 -2.464 1.00 0.58 H ATOM 168 HA ARG A 10 -2.593 2.813 0.470 1.00 0.37 H ATOM 169 HB2 ARG A 10 -4.797 3.089 0.128 1.00 1.09 H ATOM 170 HB3 ARG A 10 -4.047 4.330 -0.876 1.00 0.41 H ATOM 171 HG2 ARG A 10 -5.162 1.655 -1.890 1.00 2.32 H ATOM 172 HG3 ARG A 10 -6.038 3.167 -1.861 1.00 2.60 H ATOM 173 HD2 ARG A 10 -5.324 3.620 -3.864 1.00 2.37 H ATOM 174 HD3 ARG A 10 -3.694 3.847 -3.219 1.00 2.42 H ATOM 175 HE ARG A 10 -4.004 1.078 -3.779 1.00 0.74 H ATOM 176 HH11 ARG A 10 -3.970 4.137 -5.542 1.00 2.91 H ATOM 177 HH12 ARG A 10 -3.685 3.399 -7.081 1.00 3.86 H ATOM 178 HH21 ARG A 10 -3.765 0.067 -5.875 1.00 2.01 H ATOM 179 HH22 ARG A 10 -3.577 1.024 -7.256 1.00 3.46 H ATOM 180 N ALA A 11 -2.636 0.394 -1.599 1.00 0.20 N ATOM 181 CA ALA A 11 -2.717 -1.033 -1.858 1.00 0.31 C ATOM 182 C ALA A 11 -2.280 -1.270 -3.296 1.00 0.48 C ATOM 183 O ALA A 11 -2.405 -0.363 -4.115 1.00 0.65 O ATOM 184 CB ALA A 11 -4.145 -1.518 -1.660 1.00 0.50 C ATOM 185 H ALA A 11 -2.208 0.942 -2.326 1.00 0.25 H ATOM 186 HA ALA A 11 -2.059 -1.584 -1.188 1.00 0.32 H ATOM 187 HB1 ALA A 11 -4.838 -0.811 -2.126 1.00 1.66 H ATOM 188 HB2 ALA A 11 -4.249 -2.503 -2.107 1.00 1.42 H ATOM 189 HB3 ALA A 11 -4.328 -1.605 -0.590 1.00 1.14 H ATOM 190 N PHE A 12 -1.794 -2.474 -3.598 1.00 0.60 N ATOM 191 CA PHE A 12 -1.386 -2.859 -4.947 1.00 0.81 C ATOM 192 C PHE A 12 -2.522 -3.414 -5.801 1.00 0.86 C ATOM 193 O PHE A 12 -2.315 -3.729 -6.970 1.00 1.11 O ATOM 194 CB PHE A 12 -0.259 -3.885 -4.860 1.00 1.05 C ATOM 195 CG PHE A 12 -0.444 -5.007 -3.853 1.00 1.17 C ATOM 196 CD1 PHE A 12 -1.533 -5.896 -3.948 1.00 1.73 C ATOM 197 CD2 PHE A 12 0.498 -5.177 -2.823 1.00 2.39 C ATOM 198 CE1 PHE A 12 -1.685 -6.930 -3.008 1.00 1.83 C ATOM 199 CE2 PHE A 12 0.362 -6.229 -1.905 1.00 2.67 C ATOM 200 CZ PHE A 12 -0.736 -7.099 -1.987 1.00 1.77 C ATOM 201 H PHE A 12 -1.693 -3.168 -2.870 1.00 0.62 H ATOM 202 HA PHE A 12 -1.020 -1.977 -5.468 1.00 0.92 H ATOM 203 HB2 PHE A 12 -0.134 -4.327 -5.844 1.00 1.08 H ATOM 204 HB3 PHE A 12 0.646 -3.336 -4.615 1.00 1.25 H ATOM 205 HD1 PHE A 12 -2.254 -5.809 -4.747 1.00 2.79 H ATOM 206 HD2 PHE A 12 1.342 -4.509 -2.729 1.00 3.46 H ATOM 207 HE1 PHE A 12 -2.523 -7.607 -3.087 1.00 2.79 H ATOM 208 HE2 PHE A 12 1.112 -6.366 -1.144 1.00 3.89 H ATOM 209 HZ PHE A 12 -0.840 -7.907 -1.278 1.00 2.06 H ATOM 210 N TYR A 13 -3.699 -3.564 -5.206 1.00 0.88 N ATOM 211 CA TYR A 13 -4.922 -3.789 -5.965 1.00 1.22 C ATOM 212 C TYR A 13 -5.085 -2.624 -6.942 1.00 2.15 C ATOM 213 O TYR A 13 -5.668 -2.858 -8.020 1.00 2.73 O ATOM 214 CB TYR A 13 -6.159 -3.863 -5.063 1.00 1.08 C ATOM 215 CG TYR A 13 -6.000 -4.669 -3.792 1.00 1.54 C ATOM 216 CD1 TYR A 13 -5.555 -6.000 -3.848 1.00 3.23 C ATOM 217 CD2 TYR A 13 -6.302 -4.078 -2.552 1.00 2.15 C ATOM 218 CE1 TYR A 13 -5.392 -6.738 -2.665 1.00 4.03 C ATOM 219 CE2 TYR A 13 -6.129 -4.804 -1.362 1.00 2.84 C ATOM 220 CZ TYR A 13 -5.673 -6.140 -1.411 1.00 3.41 C ATOM 221 OH TYR A 13 -5.515 -6.833 -0.249 1.00 4.41 O ATOM 222 OXT TYR A 13 -4.663 -1.505 -6.552 1.00 2.81 O ATOM 223 H TYR A 13 -3.727 -3.290 -4.247 1.00 0.90 H ATOM 224 HA TYR A 13 -4.825 -4.728 -6.510 1.00 1.77 H ATOM 225 HB2 TYR A 13 -6.451 -2.845 -4.802 1.00 1.30 H ATOM 226 HB3 TYR A 13 -6.976 -4.291 -5.646 1.00 1.37 H ATOM 227 HD1 TYR A 13 -5.341 -6.454 -4.804 1.00 4.30 H ATOM 228 HD2 TYR A 13 -6.661 -3.061 -2.512 1.00 3.15 H ATOM 229 HE1 TYR A 13 -5.052 -7.757 -2.746 1.00 5.53 H ATOM 230 HE2 TYR A 13 -6.351 -4.346 -0.412 1.00 3.80 H ATOM 231 HH TYR A 13 -5.235 -7.739 -0.381 1.00 5.34 H TER 232 TYR A 13 ENDMDL MODEL 20 ATOM 1 N ARG A 1 -4.460 -9.549 9.224 1.00 3.90 N ATOM 2 CA ARG A 1 -3.428 -9.096 8.271 1.00 3.35 C ATOM 3 C ARG A 1 -4.057 -7.992 7.426 1.00 2.20 C ATOM 4 O ARG A 1 -5.282 -7.948 7.350 1.00 2.73 O ATOM 5 CB ARG A 1 -2.915 -10.267 7.407 1.00 4.33 C ATOM 6 CG ARG A 1 -1.501 -10.742 7.801 1.00 5.32 C ATOM 7 CD ARG A 1 -1.438 -12.208 8.264 1.00 6.54 C ATOM 8 NE ARG A 1 -1.842 -12.384 9.670 1.00 7.60 N ATOM 9 CZ ARG A 1 -2.167 -13.559 10.236 1.00 8.89 C ATOM 10 NH1 ARG A 1 -2.189 -14.677 9.510 1.00 9.32 N ATOM 11 NH2 ARG A 1 -2.468 -13.613 11.534 1.00 10.07 N ATOM 12 H1 ARG A 1 -5.276 -9.836 8.697 1.00 4.14 H ATOM 13 H2 ARG A 1 -4.124 -10.315 9.789 1.00 4.68 H ATOM 14 H3 ARG A 1 -4.737 -8.773 9.809 1.00 3.67 H ATOM 15 HA ARG A 1 -2.593 -8.662 8.820 1.00 3.60 H ATOM 16 HB2 ARG A 1 -3.615 -11.102 7.458 1.00 4.85 H ATOM 17 HB3 ARG A 1 -2.876 -9.949 6.363 1.00 4.29 H ATOM 18 HG2 ARG A 1 -0.866 -10.653 6.919 1.00 5.60 H ATOM 19 HG3 ARG A 1 -1.077 -10.095 8.570 1.00 5.46 H ATOM 20 HD2 ARG A 1 -2.062 -12.815 7.606 1.00 6.84 H ATOM 21 HD3 ARG A 1 -0.406 -12.552 8.166 1.00 6.90 H ATOM 22 HE ARG A 1 -1.692 -11.590 10.273 1.00 7.61 H ATOM 23 HH11 ARG A 1 -1.923 -14.660 8.538 1.00 8.76 H ATOM 24 HH12 ARG A 1 -2.418 -15.575 9.912 1.00 10.40 H ATOM 25 HH21 ARG A 1 -2.433 -12.797 12.129 1.00 10.10 H ATOM 26 HH22 ARG A 1 -2.709 -14.487 11.980 1.00 11.13 H ATOM 27 N LYS A 2 -3.261 -7.107 6.825 1.00 1.40 N ATOM 28 CA LYS A 2 -3.752 -6.057 5.935 1.00 0.69 C ATOM 29 C LYS A 2 -2.950 -6.140 4.640 1.00 0.66 C ATOM 30 O LYS A 2 -1.996 -6.910 4.554 1.00 1.78 O ATOM 31 CB LYS A 2 -3.634 -4.671 6.599 1.00 1.77 C ATOM 32 CG LYS A 2 -4.804 -4.372 7.555 1.00 2.90 C ATOM 33 CD LYS A 2 -5.569 -3.116 7.112 1.00 4.22 C ATOM 34 CE LYS A 2 -6.780 -2.878 8.024 1.00 5.42 C ATOM 35 NZ LYS A 2 -7.678 -1.828 7.492 1.00 7.01 N ATOM 36 H LYS A 2 -2.255 -7.218 6.830 1.00 2.12 H ATOM 37 HA LYS A 2 -4.796 -6.249 5.683 1.00 1.25 H ATOM 38 HB2 LYS A 2 -2.690 -4.605 7.144 1.00 2.39 H ATOM 39 HB3 LYS A 2 -3.610 -3.902 5.827 1.00 2.79 H ATOM 40 HG2 LYS A 2 -5.496 -5.215 7.571 1.00 3.07 H ATOM 41 HG3 LYS A 2 -4.420 -4.224 8.565 1.00 3.60 H ATOM 42 HD2 LYS A 2 -4.904 -2.252 7.154 1.00 4.55 H ATOM 43 HD3 LYS A 2 -5.911 -3.255 6.086 1.00 4.61 H ATOM 44 HE2 LYS A 2 -7.337 -3.812 8.117 1.00 5.49 H ATOM 45 HE3 LYS A 2 -6.426 -2.590 9.016 1.00 5.60 H ATOM 46 HZ1 LYS A 2 -8.478 -1.717 8.102 1.00 7.74 H ATOM 47 HZ2 LYS A 2 -7.191 -0.944 7.433 1.00 7.54 H ATOM 48 HZ3 LYS A 2 -8.010 -2.084 6.572 1.00 7.34 H ATOM 49 N ARG A 3 -3.373 -5.384 3.625 1.00 0.63 N ATOM 50 CA ARG A 3 -2.671 -5.307 2.353 1.00 0.49 C ATOM 51 C ARG A 3 -1.358 -4.551 2.555 1.00 0.43 C ATOM 52 O ARG A 3 -1.124 -3.997 3.625 1.00 0.61 O ATOM 53 CB ARG A 3 -3.571 -4.625 1.312 1.00 0.71 C ATOM 54 CG ARG A 3 -4.804 -5.488 1.011 1.00 1.96 C ATOM 55 CD ARG A 3 -5.742 -4.761 0.045 1.00 2.72 C ATOM 56 NE ARG A 3 -6.840 -5.631 -0.398 1.00 4.21 N ATOM 57 CZ ARG A 3 -7.656 -5.374 -1.431 1.00 5.61 C ATOM 58 NH1 ARG A 3 -7.571 -4.212 -2.081 1.00 6.20 N ATOM 59 NH2 ARG A 3 -8.554 -6.285 -1.809 1.00 7.08 N ATOM 60 H ARG A 3 -4.121 -4.729 3.790 1.00 1.59 H ATOM 61 HA ARG A 3 -2.434 -6.321 2.026 1.00 0.44 H ATOM 62 HB2 ARG A 3 -3.885 -3.649 1.688 1.00 0.94 H ATOM 63 HB3 ARG A 3 -3.013 -4.479 0.386 1.00 1.50 H ATOM 64 HG2 ARG A 3 -4.477 -6.427 0.563 1.00 3.15 H ATOM 65 HG3 ARG A 3 -5.346 -5.705 1.933 1.00 2.71 H ATOM 66 HD2 ARG A 3 -6.153 -3.880 0.540 1.00 2.52 H ATOM 67 HD3 ARG A 3 -5.165 -4.452 -0.827 1.00 3.72 H ATOM 68 HE ARG A 3 -6.934 -6.506 0.099 1.00 4.75 H ATOM 69 HH11 ARG A 3 -6.915 -3.510 -1.781 1.00 5.68 H ATOM 70 HH12 ARG A 3 -8.143 -3.995 -2.886 1.00 7.57 H ATOM 71 HH21 ARG A 3 -8.626 -7.178 -1.344 1.00 7.45 H ATOM 72 HH22 ARG A 3 -9.164 -6.126 -2.597 1.00 8.19 H ATOM 73 N ILE A 4 -0.510 -4.517 1.524 1.00 0.34 N ATOM 74 CA ILE A 4 0.784 -3.857 1.577 1.00 0.30 C ATOM 75 C ILE A 4 0.845 -2.901 0.405 1.00 0.24 C ATOM 76 O ILE A 4 0.137 -3.088 -0.590 1.00 0.24 O ATOM 77 CB ILE A 4 1.971 -4.840 1.575 1.00 0.40 C ATOM 78 CG1 ILE A 4 1.761 -6.047 2.501 1.00 0.51 C ATOM 79 CG2 ILE A 4 3.243 -4.144 2.072 1.00 0.52 C ATOM 80 CD1 ILE A 4 0.885 -7.107 1.847 1.00 0.59 C ATOM 81 H ILE A 4 -0.769 -4.910 0.632 1.00 0.40 H ATOM 82 HA ILE A 4 0.827 -3.277 2.489 1.00 0.32 H ATOM 83 HB ILE A 4 2.152 -5.190 0.558 1.00 0.44 H ATOM 84 HG12 ILE A 4 2.726 -6.511 2.707 1.00 0.63 H ATOM 85 HG13 ILE A 4 1.318 -5.719 3.442 1.00 0.55 H ATOM 86 HG21 ILE A 4 4.065 -4.861 2.084 1.00 1.62 H ATOM 87 HG22 ILE A 4 3.529 -3.331 1.407 1.00 1.81 H ATOM 88 HG23 ILE A 4 3.087 -3.765 3.081 1.00 1.30 H ATOM 89 HD11 ILE A 4 1.062 -7.110 0.773 1.00 1.56 H ATOM 90 HD12 ILE A 4 1.131 -8.083 2.260 1.00 1.96 H ATOM 91 HD13 ILE A 4 -0.157 -6.891 2.053 1.00 1.76 H ATOM 92 N HIS A 5 1.608 -1.825 0.556 1.00 0.23 N ATOM 93 CA HIS A 5 1.703 -0.813 -0.459 1.00 0.17 C ATOM 94 C HIS A 5 2.979 -0.003 -0.270 1.00 0.20 C ATOM 95 O HIS A 5 3.756 -0.234 0.651 1.00 0.28 O ATOM 96 CB HIS A 5 0.463 0.077 -0.475 1.00 0.14 C ATOM 97 CG HIS A 5 -0.227 0.278 0.848 1.00 0.25 C ATOM 98 ND1 HIS A 5 -0.309 1.450 1.563 1.00 0.36 N ATOM 99 CD2 HIS A 5 -1.023 -0.643 1.469 1.00 0.31 C ATOM 100 CE1 HIS A 5 -1.155 1.234 2.585 1.00 0.48 C ATOM 101 NE2 HIS A 5 -1.596 -0.035 2.584 1.00 0.44 N ATOM 102 H HIS A 5 2.187 -1.666 1.370 1.00 0.28 H ATOM 103 HA HIS A 5 1.721 -1.329 -1.411 1.00 0.21 H ATOM 104 HB2 HIS A 5 0.706 1.042 -0.898 1.00 0.15 H ATOM 105 HB3 HIS A 5 -0.220 -0.391 -1.173 1.00 0.15 H ATOM 106 HD1 HIS A 5 0.116 2.345 1.326 1.00 0.37 H ATOM 107 HD2 HIS A 5 -1.219 -1.636 1.087 1.00 0.31 H ATOM 108 HE1 HIS A 5 -1.490 1.998 3.274 1.00 0.62 H ATOM 109 N ILE A 6 3.170 0.940 -1.186 1.00 0.18 N ATOM 110 CA ILE A 6 4.245 1.902 -1.234 1.00 0.22 C ATOM 111 C ILE A 6 3.859 3.056 -0.310 1.00 0.18 C ATOM 112 O ILE A 6 2.703 3.153 0.092 1.00 0.17 O ATOM 113 CB ILE A 6 4.421 2.345 -2.696 1.00 0.27 C ATOM 114 CG1 ILE A 6 4.578 1.096 -3.580 1.00 0.33 C ATOM 115 CG2 ILE A 6 5.676 3.208 -2.897 1.00 0.33 C ATOM 116 CD1 ILE A 6 3.255 0.443 -4.025 1.00 0.30 C ATOM 117 H ILE A 6 2.434 1.071 -1.857 1.00 0.17 H ATOM 118 HA ILE A 6 5.166 1.428 -0.900 1.00 0.27 H ATOM 119 HB ILE A 6 3.551 2.917 -3.024 1.00 0.25 H ATOM 120 HG12 ILE A 6 5.117 1.392 -4.471 1.00 0.40 H ATOM 121 HG13 ILE A 6 5.202 0.374 -3.054 1.00 0.35 H ATOM 122 HG21 ILE A 6 5.554 4.179 -2.429 1.00 1.36 H ATOM 123 HG22 ILE A 6 6.552 2.701 -2.491 1.00 1.33 H ATOM 124 HG23 ILE A 6 5.834 3.395 -3.960 1.00 1.55 H ATOM 125 HD11 ILE A 6 3.418 -0.098 -4.957 1.00 1.42 H ATOM 126 HD12 ILE A 6 2.888 -0.272 -3.289 1.00 1.40 H ATOM 127 HD13 ILE A 6 2.490 1.204 -4.185 1.00 1.48 H ATOM 128 N GLY A 7 4.814 3.942 -0.024 1.00 0.21 N ATOM 129 CA GLY A 7 4.657 5.123 0.829 1.00 0.21 C ATOM 130 C GLY A 7 3.317 5.849 0.645 1.00 0.21 C ATOM 131 O GLY A 7 2.453 5.760 1.510 1.00 0.23 O ATOM 132 H GLY A 7 5.718 3.744 -0.428 1.00 0.24 H ATOM 133 HA2 GLY A 7 4.728 4.805 1.870 1.00 0.24 H ATOM 134 HA3 GLY A 7 5.471 5.819 0.633 1.00 0.25 H ATOM 135 N PRO A 8 3.124 6.581 -0.464 1.00 0.26 N ATOM 136 CA PRO A 8 1.864 7.246 -0.777 1.00 0.31 C ATOM 137 C PRO A 8 0.860 6.299 -1.450 1.00 0.38 C ATOM 138 O PRO A 8 -0.189 6.738 -1.918 1.00 0.76 O ATOM 139 CB PRO A 8 2.266 8.373 -1.732 1.00 0.38 C ATOM 140 CG PRO A 8 3.419 7.748 -2.515 1.00 0.40 C ATOM 141 CD PRO A 8 4.128 6.891 -1.465 1.00 0.32 C ATOM 142 HA PRO A 8 1.412 7.666 0.124 1.00 0.31 H ATOM 143 HB2 PRO A 8 1.450 8.683 -2.386 1.00 0.45 H ATOM 144 HB3 PRO A 8 2.634 9.224 -1.157 1.00 0.37 H ATOM 145 HG2 PRO A 8 3.024 7.109 -3.306 1.00 0.43 H ATOM 146 HG3 PRO A 8 4.084 8.507 -2.931 1.00 0.44 H ATOM 147 HD2 PRO A 8 4.514 5.985 -1.925 1.00 0.35 H ATOM 148 HD3 PRO A 8 4.936 7.461 -1.007 1.00 0.33 H ATOM 149 N GLY A 9 1.174 5.007 -1.545 1.00 0.25 N ATOM 150 CA GLY A 9 0.273 4.013 -2.092 1.00 0.24 C ATOM 151 C GLY A 9 -0.720 3.592 -1.016 1.00 0.20 C ATOM 152 O GLY A 9 -0.513 3.863 0.165 1.00 0.35 O ATOM 153 H GLY A 9 1.964 4.660 -1.026 1.00 0.50 H ATOM 154 HA2 GLY A 9 -0.257 4.427 -2.951 1.00 0.30 H ATOM 155 HA3 GLY A 9 0.860 3.149 -2.407 1.00 0.28 H ATOM 156 N ARG A 10 -1.793 2.894 -1.403 1.00 0.29 N ATOM 157 CA ARG A 10 -2.844 2.510 -0.456 1.00 0.36 C ATOM 158 C ARG A 10 -3.096 1.017 -0.354 1.00 0.33 C ATOM 159 O ARG A 10 -3.796 0.572 0.547 1.00 0.40 O ATOM 160 CB ARG A 10 -4.145 3.237 -0.764 1.00 0.61 C ATOM 161 CG ARG A 10 -4.973 2.640 -1.910 1.00 1.40 C ATOM 162 CD ARG A 10 -4.419 2.905 -3.318 1.00 1.42 C ATOM 163 NE ARG A 10 -3.936 1.713 -4.049 1.00 1.15 N ATOM 164 CZ ARG A 10 -3.723 1.705 -5.380 1.00 2.18 C ATOM 165 NH1 ARG A 10 -3.898 2.825 -6.085 1.00 2.90 N ATOM 166 NH2 ARG A 10 -3.335 0.601 -6.023 1.00 2.73 N ATOM 167 H ARG A 10 -1.928 2.739 -2.390 1.00 0.49 H ATOM 168 HA ARG A 10 -2.552 2.828 0.542 1.00 0.41 H ATOM 169 HB2 ARG A 10 -4.736 3.154 0.144 1.00 1.11 H ATOM 170 HB3 ARG A 10 -3.940 4.291 -0.948 1.00 0.39 H ATOM 171 HG2 ARG A 10 -5.118 1.580 -1.744 1.00 2.41 H ATOM 172 HG3 ARG A 10 -5.957 3.106 -1.856 1.00 2.56 H ATOM 173 HD2 ARG A 10 -5.241 3.329 -3.891 1.00 2.24 H ATOM 174 HD3 ARG A 10 -3.621 3.641 -3.255 1.00 2.34 H ATOM 175 HE ARG A 10 -3.818 0.843 -3.540 1.00 0.73 H ATOM 176 HH11 ARG A 10 -4.174 3.679 -5.629 1.00 2.72 H ATOM 177 HH12 ARG A 10 -3.749 2.852 -7.083 1.00 3.74 H ATOM 178 HH21 ARG A 10 -3.086 -0.250 -5.524 1.00 2.35 H ATOM 179 HH22 ARG A 10 -3.210 0.559 -7.022 1.00 3.59 H ATOM 180 N ALA A 11 -2.611 0.273 -1.340 1.00 0.30 N ATOM 181 CA ALA A 11 -2.696 -1.173 -1.473 1.00 0.31 C ATOM 182 C ALA A 11 -2.221 -1.530 -2.864 1.00 0.43 C ATOM 183 O ALA A 11 -2.405 -0.718 -3.767 1.00 0.56 O ATOM 184 CB ALA A 11 -4.132 -1.629 -1.280 1.00 0.38 C ATOM 185 H ALA A 11 -2.116 0.763 -2.063 1.00 0.34 H ATOM 186 HA ALA A 11 -2.060 -1.674 -0.750 1.00 0.36 H ATOM 187 HB1 ALA A 11 -4.306 -1.725 -0.207 1.00 1.63 H ATOM 188 HB2 ALA A 11 -4.791 -0.880 -1.722 1.00 1.54 H ATOM 189 HB3 ALA A 11 -4.280 -2.592 -1.765 1.00 1.42 H ATOM 190 N PHE A 12 -1.656 -2.723 -3.049 1.00 0.55 N ATOM 191 CA PHE A 12 -1.284 -3.193 -4.375 1.00 0.68 C ATOM 192 C PHE A 12 -2.483 -3.164 -5.325 1.00 0.89 C ATOM 193 O PHE A 12 -2.432 -2.498 -6.357 1.00 1.74 O ATOM 194 CB PHE A 12 -0.537 -4.537 -4.290 1.00 0.71 C ATOM 195 CG PHE A 12 -1.201 -5.634 -3.472 1.00 0.78 C ATOM 196 CD1 PHE A 12 -2.136 -6.492 -4.073 1.00 1.99 C ATOM 197 CD2 PHE A 12 -0.853 -5.832 -2.122 1.00 1.71 C ATOM 198 CE1 PHE A 12 -2.760 -7.503 -3.325 1.00 2.26 C ATOM 199 CE2 PHE A 12 -1.470 -6.850 -1.371 1.00 1.77 C ATOM 200 CZ PHE A 12 -2.432 -7.680 -1.971 1.00 1.40 C ATOM 201 H PHE A 12 -1.436 -3.305 -2.250 1.00 0.63 H ATOM 202 HA PHE A 12 -0.605 -2.470 -4.783 1.00 0.94 H ATOM 203 HB2 PHE A 12 -0.363 -4.905 -5.303 1.00 0.75 H ATOM 204 HB3 PHE A 12 0.444 -4.342 -3.855 1.00 0.93 H ATOM 205 HD1 PHE A 12 -2.363 -6.392 -5.124 1.00 3.09 H ATOM 206 HD2 PHE A 12 -0.085 -5.224 -1.669 1.00 2.90 H ATOM 207 HE1 PHE A 12 -3.475 -8.156 -3.807 1.00 3.50 H ATOM 208 HE2 PHE A 12 -1.187 -7.021 -0.343 1.00 2.84 H ATOM 209 HZ PHE A 12 -2.897 -8.474 -1.404 1.00 1.70 H ATOM 210 N TYR A 13 -3.572 -3.769 -4.856 1.00 0.81 N ATOM 211 CA TYR A 13 -4.801 -4.156 -5.534 1.00 1.12 C ATOM 212 C TYR A 13 -4.570 -5.306 -6.507 1.00 2.60 C ATOM 213 O TYR A 13 -5.562 -6.033 -6.723 1.00 3.21 O ATOM 214 CB TYR A 13 -5.496 -2.979 -6.208 1.00 1.88 C ATOM 215 CG TYR A 13 -6.422 -2.182 -5.317 1.00 2.61 C ATOM 216 CD1 TYR A 13 -5.888 -1.268 -4.395 1.00 3.93 C ATOM 217 CD2 TYR A 13 -7.817 -2.330 -5.433 1.00 3.44 C ATOM 218 CE1 TYR A 13 -6.746 -0.479 -3.607 1.00 5.11 C ATOM 219 CE2 TYR A 13 -8.679 -1.557 -4.636 1.00 4.58 C ATOM 220 CZ TYR A 13 -8.146 -0.622 -3.724 1.00 5.15 C ATOM 221 OH TYR A 13 -8.986 0.127 -2.958 1.00 6.47 O ATOM 222 OXT TYR A 13 -3.424 -5.462 -6.977 1.00 3.76 O ATOM 223 H TYR A 13 -3.393 -4.217 -3.991 1.00 1.15 H ATOM 224 HA TYR A 13 -5.486 -4.549 -4.784 1.00 1.58 H ATOM 225 HB2 TYR A 13 -4.768 -2.316 -6.663 1.00 2.57 H ATOM 226 HB3 TYR A 13 -6.079 -3.403 -7.013 1.00 2.20 H ATOM 227 HD1 TYR A 13 -4.819 -1.176 -4.319 1.00 4.59 H ATOM 228 HD2 TYR A 13 -8.226 -3.024 -6.154 1.00 3.97 H ATOM 229 HE1 TYR A 13 -6.339 0.240 -2.920 1.00 6.41 H ATOM 230 HE2 TYR A 13 -9.750 -1.651 -4.737 1.00 5.56 H ATOM 231 HH TYR A 13 -8.548 0.778 -2.406 1.00 7.21 H TER 232 TYR A 13 ENDMDL MODEL 21 ATOM 1 N ARG A 1 -2.795 -4.177 10.478 1.00 5.65 N ATOM 2 CA ARG A 1 -2.262 -3.947 9.120 1.00 5.33 C ATOM 3 C ARG A 1 -2.874 -4.995 8.203 1.00 3.35 C ATOM 4 O ARG A 1 -3.067 -6.120 8.652 1.00 3.02 O ATOM 5 CB ARG A 1 -0.724 -4.026 9.108 1.00 6.59 C ATOM 6 CG ARG A 1 -0.100 -2.659 9.419 1.00 8.48 C ATOM 7 CD ARG A 1 1.423 -2.759 9.579 1.00 9.85 C ATOM 8 NE ARG A 1 2.048 -1.426 9.601 1.00 11.39 N ATOM 9 CZ ARG A 1 3.293 -1.146 10.013 1.00 12.83 C ATOM 10 NH1 ARG A 1 4.075 -2.108 10.504 1.00 13.11 N ATOM 11 NH2 ARG A 1 3.756 0.102 9.930 1.00 14.22 N ATOM 12 H1 ARG A 1 -2.590 -5.133 10.742 1.00 5.37 H ATOM 13 H2 ARG A 1 -2.382 -3.537 11.141 1.00 6.93 H ATOM 14 H3 ARG A 1 -3.799 -4.067 10.470 1.00 5.22 H ATOM 15 HA ARG A 1 -2.568 -2.961 8.770 1.00 6.02 H ATOM 16 HB2 ARG A 1 -0.386 -4.765 9.836 1.00 6.97 H ATOM 17 HB3 ARG A 1 -0.381 -4.339 8.120 1.00 6.20 H ATOM 18 HG2 ARG A 1 -0.332 -1.979 8.597 1.00 8.62 H ATOM 19 HG3 ARG A 1 -0.526 -2.257 10.339 1.00 9.06 H ATOM 20 HD2 ARG A 1 1.643 -3.287 10.509 1.00 10.32 H ATOM 21 HD3 ARG A 1 1.837 -3.327 8.744 1.00 9.50 H ATOM 22 HE ARG A 1 1.485 -0.677 9.226 1.00 11.52 H ATOM 23 HH11 ARG A 1 3.738 -3.055 10.562 1.00 12.30 H ATOM 24 HH12 ARG A 1 5.014 -1.925 10.827 1.00 14.31 H ATOM 25 HH21 ARG A 1 3.192 0.850 9.553 1.00 14.32 H ATOM 26 HH22 ARG A 1 4.690 0.342 10.230 1.00 15.35 H ATOM 27 N LYS A 2 -3.207 -4.638 6.961 1.00 2.81 N ATOM 28 CA LYS A 2 -3.669 -5.572 5.940 1.00 1.06 C ATOM 29 C LYS A 2 -3.155 -5.054 4.603 1.00 1.36 C ATOM 30 O LYS A 2 -2.993 -3.845 4.464 1.00 3.30 O ATOM 31 CB LYS A 2 -5.203 -5.649 5.890 1.00 2.16 C ATOM 32 CG LYS A 2 -5.821 -6.334 7.115 1.00 3.18 C ATOM 33 CD LYS A 2 -7.287 -6.682 6.827 1.00 5.05 C ATOM 34 CE LYS A 2 -7.940 -7.306 8.065 1.00 5.96 C ATOM 35 NZ LYS A 2 -9.320 -7.766 7.790 1.00 7.94 N ATOM 36 H LYS A 2 -3.005 -3.710 6.603 1.00 4.06 H ATOM 37 HA LYS A 2 -3.250 -6.561 6.134 1.00 1.33 H ATOM 38 HB2 LYS A 2 -5.617 -4.644 5.789 1.00 2.96 H ATOM 39 HB3 LYS A 2 -5.482 -6.220 5.003 1.00 3.04 H ATOM 40 HG2 LYS A 2 -5.275 -7.254 7.332 1.00 2.97 H ATOM 41 HG3 LYS A 2 -5.764 -5.668 7.976 1.00 3.74 H ATOM 42 HD2 LYS A 2 -7.825 -5.776 6.546 1.00 5.69 H ATOM 43 HD3 LYS A 2 -7.325 -7.392 5.999 1.00 5.68 H ATOM 44 HE2 LYS A 2 -7.334 -8.154 8.393 1.00 5.95 H ATOM 45 HE3 LYS A 2 -7.956 -6.563 8.865 1.00 5.73 H ATOM 46 HZ1 LYS A 2 -9.896 -6.992 7.489 1.00 8.32 H ATOM 47 HZ2 LYS A 2 -9.316 -8.473 7.067 1.00 8.62 H ATOM 48 HZ3 LYS A 2 -9.725 -8.165 8.627 1.00 8.70 H ATOM 49 N ARG A 3 -2.962 -5.957 3.634 1.00 0.68 N ATOM 50 CA ARG A 3 -2.346 -5.690 2.337 1.00 0.66 C ATOM 51 C ARG A 3 -0.970 -5.036 2.520 1.00 0.70 C ATOM 52 O ARG A 3 -0.490 -4.893 3.642 1.00 1.04 O ATOM 53 CB ARG A 3 -3.317 -4.872 1.468 1.00 0.76 C ATOM 54 CG ARG A 3 -4.629 -5.617 1.175 1.00 1.95 C ATOM 55 CD ARG A 3 -4.443 -6.680 0.087 1.00 3.61 C ATOM 56 NE ARG A 3 -5.552 -7.644 0.078 1.00 4.94 N ATOM 57 CZ ARG A 3 -5.620 -8.780 0.786 1.00 6.16 C ATOM 58 NH1 ARG A 3 -4.629 -9.119 1.613 1.00 6.53 N ATOM 59 NH2 ARG A 3 -6.682 -9.577 0.669 1.00 7.55 N ATOM 60 H ARG A 3 -3.159 -6.915 3.848 1.00 2.15 H ATOM 61 HA ARG A 3 -2.159 -6.642 1.847 1.00 0.65 H ATOM 62 HB2 ARG A 3 -3.556 -3.955 2.002 1.00 0.95 H ATOM 63 HB3 ARG A 3 -2.844 -4.609 0.523 1.00 1.51 H ATOM 64 HG2 ARG A 3 -5.005 -6.079 2.087 1.00 2.95 H ATOM 65 HG3 ARG A 3 -5.375 -4.900 0.831 1.00 2.57 H ATOM 66 HD2 ARG A 3 -4.401 -6.180 -0.883 1.00 4.04 H ATOM 67 HD3 ARG A 3 -3.499 -7.202 0.230 1.00 4.47 H ATOM 68 HE ARG A 3 -6.325 -7.397 -0.529 1.00 5.37 H ATOM 69 HH11 ARG A 3 -3.815 -8.531 1.675 1.00 6.03 H ATOM 70 HH12 ARG A 3 -4.640 -9.977 2.141 1.00 7.71 H ATOM 71 HH21 ARG A 3 -7.432 -9.337 0.037 1.00 7.91 H ATOM 72 HH22 ARG A 3 -6.756 -10.448 1.173 1.00 8.55 H ATOM 73 N ILE A 4 -0.288 -4.729 1.416 1.00 0.53 N ATOM 74 CA ILE A 4 1.002 -4.063 1.451 1.00 0.49 C ATOM 75 C ILE A 4 1.031 -3.103 0.284 1.00 0.40 C ATOM 76 O ILE A 4 0.349 -3.326 -0.719 1.00 0.37 O ATOM 77 CB ILE A 4 2.219 -5.004 1.405 1.00 0.58 C ATOM 78 CG1 ILE A 4 1.981 -6.387 2.009 1.00 0.88 C ATOM 79 CG2 ILE A 4 3.371 -4.387 2.201 1.00 0.56 C ATOM 80 CD1 ILE A 4 1.125 -7.228 1.074 1.00 0.96 C ATOM 81 H ILE A 4 -0.671 -4.858 0.490 1.00 0.47 H ATOM 82 HA ILE A 4 1.042 -3.499 2.369 1.00 0.52 H ATOM 83 HB ILE A 4 2.543 -5.119 0.370 1.00 0.59 H ATOM 84 HG12 ILE A 4 2.939 -6.891 2.132 1.00 1.04 H ATOM 85 HG13 ILE A 4 1.500 -6.289 2.980 1.00 0.96 H ATOM 86 HG21 ILE A 4 4.251 -5.022 2.102 1.00 1.79 H ATOM 87 HG22 ILE A 4 3.614 -3.397 1.823 1.00 1.52 H ATOM 88 HG23 ILE A 4 3.092 -4.325 3.253 1.00 1.27 H ATOM 89 HD11 ILE A 4 0.098 -7.206 1.418 1.00 1.08 H ATOM 90 HD12 ILE A 4 1.185 -6.805 0.073 1.00 1.83 H ATOM 91 HD13 ILE A 4 1.487 -8.253 1.069 1.00 1.68 H ATOM 92 N HIS A 5 1.741 -1.994 0.446 1.00 0.39 N ATOM 93 CA HIS A 5 1.775 -0.963 -0.554 1.00 0.30 C ATOM 94 C HIS A 5 3.006 -0.094 -0.334 1.00 0.29 C ATOM 95 O HIS A 5 3.789 -0.312 0.588 1.00 0.36 O ATOM 96 CB HIS A 5 0.489 -0.133 -0.552 1.00 0.26 C ATOM 97 CG HIS A 5 -0.220 -0.035 0.772 1.00 0.39 C ATOM 98 ND1 HIS A 5 -0.358 1.097 1.537 1.00 0.48 N ATOM 99 CD2 HIS A 5 -0.971 -1.023 1.348 1.00 0.47 C ATOM 100 CE1 HIS A 5 -1.221 0.810 2.523 1.00 0.59 C ATOM 101 NE2 HIS A 5 -1.580 -0.485 2.483 1.00 0.59 N ATOM 102 H HIS A 5 2.300 -1.810 1.267 1.00 0.43 H ATOM 103 HA HIS A 5 1.823 -1.456 -1.517 1.00 0.29 H ATOM 104 HB2 HIS A 5 0.694 0.867 -0.915 1.00 0.24 H ATOM 105 HB3 HIS A 5 -0.172 -0.578 -1.286 1.00 0.23 H ATOM 106 HD1 HIS A 5 0.038 2.015 1.351 1.00 0.48 H ATOM 107 HD2 HIS A 5 -1.113 -2.010 0.924 1.00 0.47 H ATOM 108 HE1 HIS A 5 -1.643 1.555 3.184 1.00 0.67 H ATOM 109 N ILE A 6 3.155 0.883 -1.218 1.00 0.23 N ATOM 110 CA ILE A 6 4.198 1.877 -1.236 1.00 0.24 C ATOM 111 C ILE A 6 3.800 2.978 -0.254 1.00 0.22 C ATOM 112 O ILE A 6 2.648 3.029 0.168 1.00 0.24 O ATOM 113 CB ILE A 6 4.338 2.376 -2.684 1.00 0.30 C ATOM 114 CG1 ILE A 6 4.559 1.168 -3.610 1.00 0.36 C ATOM 115 CG2 ILE A 6 5.537 3.317 -2.855 1.00 0.39 C ATOM 116 CD1 ILE A 6 3.272 0.451 -4.062 1.00 0.31 C ATOM 117 H ILE A 6 2.420 1.002 -1.894 1.00 0.21 H ATOM 118 HA ILE A 6 5.138 1.415 -0.935 1.00 0.30 H ATOM 119 HB ILE A 6 3.434 2.909 -2.986 1.00 0.31 H ATOM 120 HG12 ILE A 6 5.068 1.524 -4.498 1.00 0.47 H ATOM 121 HG13 ILE A 6 5.232 0.466 -3.116 1.00 0.40 H ATOM 122 HG21 ILE A 6 6.443 2.852 -2.467 1.00 1.35 H ATOM 123 HG22 ILE A 6 5.678 3.550 -3.911 1.00 1.71 H ATOM 124 HG23 ILE A 6 5.350 4.260 -2.354 1.00 1.69 H ATOM 125 HD11 ILE A 6 2.958 -0.306 -3.344 1.00 1.48 H ATOM 126 HD12 ILE A 6 2.462 1.169 -4.191 1.00 1.62 H ATOM 127 HD13 ILE A 6 3.457 -0.052 -5.012 1.00 1.58 H ATOM 128 N GLY A 7 4.740 3.866 0.072 1.00 0.23 N ATOM 129 CA GLY A 7 4.572 4.988 1.000 1.00 0.29 C ATOM 130 C GLY A 7 3.225 5.709 0.866 1.00 0.37 C ATOM 131 O GLY A 7 2.362 5.551 1.723 1.00 0.45 O ATOM 132 H GLY A 7 5.644 3.714 -0.352 1.00 0.24 H ATOM 133 HA2 GLY A 7 4.649 4.605 2.017 1.00 0.34 H ATOM 134 HA3 GLY A 7 5.378 5.704 0.848 1.00 0.29 H ATOM 135 N PRO A 8 3.020 6.511 -0.191 1.00 0.42 N ATOM 136 CA PRO A 8 1.755 7.188 -0.452 1.00 0.54 C ATOM 137 C PRO A 8 0.733 6.273 -1.145 1.00 0.61 C ATOM 138 O PRO A 8 -0.312 6.738 -1.591 1.00 1.02 O ATOM 139 CB PRO A 8 2.135 8.363 -1.357 1.00 0.60 C ATOM 140 CG PRO A 8 3.305 7.804 -2.167 1.00 0.54 C ATOM 141 CD PRO A 8 4.023 6.901 -1.165 1.00 0.42 C ATOM 142 HA PRO A 8 1.320 7.562 0.476 1.00 0.58 H ATOM 143 HB2 PRO A 8 1.315 8.686 -1.999 1.00 0.70 H ATOM 144 HB3 PRO A 8 2.483 9.194 -0.743 1.00 0.61 H ATOM 145 HG2 PRO A 8 2.925 7.206 -2.997 1.00 0.56 H ATOM 146 HG3 PRO A 8 3.957 8.598 -2.534 1.00 0.59 H ATOM 147 HD2 PRO A 8 4.430 6.033 -1.676 1.00 0.40 H ATOM 148 HD3 PRO A 8 4.818 7.458 -0.669 1.00 0.41 H ATOM 149 N GLY A 9 1.025 4.978 -1.270 1.00 0.31 N ATOM 150 CA GLY A 9 0.111 4.007 -1.839 1.00 0.37 C ATOM 151 C GLY A 9 -0.793 3.461 -0.744 1.00 0.40 C ATOM 152 O GLY A 9 -0.547 3.658 0.444 1.00 0.53 O ATOM 153 H GLY A 9 1.815 4.603 -0.771 1.00 0.36 H ATOM 154 HA2 GLY A 9 -0.504 4.467 -2.613 1.00 0.55 H ATOM 155 HA3 GLY A 9 0.693 3.192 -2.270 1.00 0.35 H ATOM 156 N ARG A 10 -1.846 2.746 -1.141 1.00 0.48 N ATOM 157 CA ARG A 10 -2.878 2.267 -0.235 1.00 0.60 C ATOM 158 C ARG A 10 -3.135 0.780 -0.369 1.00 0.43 C ATOM 159 O ARG A 10 -3.655 0.169 0.554 1.00 0.66 O ATOM 160 CB ARG A 10 -4.110 3.116 -0.499 1.00 0.83 C ATOM 161 CG ARG A 10 -5.426 2.600 0.086 1.00 2.97 C ATOM 162 CD ARG A 10 -6.139 1.488 -0.709 1.00 3.66 C ATOM 163 NE ARG A 10 -6.101 1.706 -2.164 1.00 2.55 N ATOM 164 CZ ARG A 10 -6.892 2.549 -2.844 1.00 3.26 C ATOM 165 NH1 ARG A 10 -7.812 3.269 -2.199 1.00 4.36 N ATOM 166 NH2 ARG A 10 -6.759 2.673 -4.165 1.00 3.48 N ATOM 167 H ARG A 10 -2.073 2.736 -2.120 1.00 0.65 H ATOM 168 HA ARG A 10 -2.570 2.440 0.796 1.00 0.73 H ATOM 169 HB2 ARG A 10 -3.874 4.058 -0.022 1.00 1.72 H ATOM 170 HB3 ARG A 10 -4.224 3.300 -1.566 1.00 1.24 H ATOM 171 HG2 ARG A 10 -5.233 2.260 1.101 1.00 4.14 H ATOM 172 HG3 ARG A 10 -6.092 3.459 0.133 1.00 3.70 H ATOM 173 HD2 ARG A 10 -5.690 0.521 -0.496 1.00 4.63 H ATOM 174 HD3 ARG A 10 -7.174 1.418 -0.370 1.00 5.02 H ATOM 175 HE ARG A 10 -5.402 1.169 -2.661 1.00 1.76 H ATOM 176 HH11 ARG A 10 -7.916 3.171 -1.201 1.00 4.84 H ATOM 177 HH12 ARG A 10 -8.424 3.914 -2.675 1.00 5.00 H ATOM 178 HH21 ARG A 10 -6.085 2.121 -4.681 1.00 3.21 H ATOM 179 HH22 ARG A 10 -7.336 3.305 -4.698 1.00 4.34 H ATOM 180 N ALA A 11 -2.815 0.208 -1.524 1.00 0.23 N ATOM 181 CA ALA A 11 -2.712 -1.223 -1.747 1.00 0.25 C ATOM 182 C ALA A 11 -2.235 -1.438 -3.177 1.00 0.39 C ATOM 183 O ALA A 11 -2.196 -0.495 -3.963 1.00 0.65 O ATOM 184 CB ALA A 11 -4.045 -1.916 -1.487 1.00 0.49 C ATOM 185 H ALA A 11 -2.469 0.789 -2.270 1.00 0.31 H ATOM 186 HA ALA A 11 -1.977 -1.653 -1.073 1.00 0.27 H ATOM 187 HB1 ALA A 11 -4.849 -1.314 -1.910 1.00 1.41 H ATOM 188 HB2 ALA A 11 -4.046 -2.915 -1.925 1.00 1.62 H ATOM 189 HB3 ALA A 11 -4.168 -2.023 -0.408 1.00 1.21 H ATOM 190 N PHE A 12 -1.879 -2.681 -3.489 1.00 0.46 N ATOM 191 CA PHE A 12 -1.435 -3.103 -4.811 1.00 0.64 C ATOM 192 C PHE A 12 -2.564 -3.383 -5.800 1.00 0.85 C ATOM 193 O PHE A 12 -2.299 -3.756 -6.938 1.00 1.09 O ATOM 194 CB PHE A 12 -0.580 -4.359 -4.645 1.00 0.70 C ATOM 195 CG PHE A 12 -1.229 -5.491 -3.864 1.00 0.84 C ATOM 196 CD1 PHE A 12 -2.315 -6.203 -4.408 1.00 2.19 C ATOM 197 CD2 PHE A 12 -0.743 -5.838 -2.589 1.00 1.56 C ATOM 198 CE1 PHE A 12 -2.922 -7.238 -3.677 1.00 2.48 C ATOM 199 CE2 PHE A 12 -1.341 -6.883 -1.863 1.00 1.63 C ATOM 200 CZ PHE A 12 -2.432 -7.584 -2.408 1.00 1.51 C ATOM 201 H PHE A 12 -1.875 -3.372 -2.755 1.00 0.53 H ATOM 202 HA PHE A 12 -0.847 -2.302 -5.244 1.00 0.76 H ATOM 203 HB2 PHE A 12 -0.327 -4.724 -5.637 1.00 0.79 H ATOM 204 HB3 PHE A 12 0.337 -4.060 -4.144 1.00 0.81 H ATOM 205 HD1 PHE A 12 -2.684 -5.974 -5.398 1.00 3.30 H ATOM 206 HD2 PHE A 12 0.109 -5.317 -2.176 1.00 2.72 H ATOM 207 HE1 PHE A 12 -3.754 -7.778 -4.106 1.00 3.73 H ATOM 208 HE2 PHE A 12 -0.947 -7.167 -0.900 1.00 2.65 H ATOM 209 HZ PHE A 12 -2.883 -8.400 -1.863 1.00 1.82 H ATOM 210 N TYR A 13 -3.801 -3.279 -5.329 1.00 1.02 N ATOM 211 CA TYR A 13 -5.007 -3.451 -6.126 1.00 1.38 C ATOM 212 C TYR A 13 -4.961 -2.588 -7.381 1.00 2.30 C ATOM 213 O TYR A 13 -5.339 -3.127 -8.443 1.00 2.80 O ATOM 214 CB TYR A 13 -6.238 -3.051 -5.309 1.00 1.15 C ATOM 215 CG TYR A 13 -6.600 -3.980 -4.170 1.00 1.18 C ATOM 216 CD1 TYR A 13 -6.869 -5.332 -4.433 1.00 2.39 C ATOM 217 CD2 TYR A 13 -6.756 -3.473 -2.868 1.00 1.83 C ATOM 218 CE1 TYR A 13 -7.325 -6.175 -3.405 1.00 3.01 C ATOM 219 CE2 TYR A 13 -7.212 -4.306 -1.831 1.00 2.26 C ATOM 220 CZ TYR A 13 -7.516 -5.660 -2.105 1.00 2.54 C ATOM 221 OH TYR A 13 -8.013 -6.470 -1.127 1.00 3.34 O ATOM 222 OXT TYR A 13 -4.631 -1.391 -7.227 1.00 2.95 O ATOM 223 H TYR A 13 -3.857 -3.034 -4.363 1.00 1.05 H ATOM 224 HA TYR A 13 -5.084 -4.491 -6.440 1.00 1.70 H ATOM 225 HB2 TYR A 13 -6.086 -2.039 -4.932 1.00 1.33 H ATOM 226 HB3 TYR A 13 -7.093 -3.014 -5.986 1.00 1.50 H ATOM 227 HD1 TYR A 13 -6.749 -5.706 -5.439 1.00 3.27 H ATOM 228 HD2 TYR A 13 -6.547 -2.431 -2.688 1.00 2.76 H ATOM 229 HE1 TYR A 13 -7.565 -7.206 -3.621 1.00 4.22 H ATOM 230 HE2 TYR A 13 -7.349 -3.901 -0.838 1.00 3.12 H ATOM 231 HH TYR A 13 -8.870 -6.147 -0.829 1.00 3.54 H TER 232 TYR A 13 ENDMDL MASTER 151 0 0 0 0 0 0 6 112 1 0 1 END