HEADER 12-JUL-22 SMS21100 TITLE SOLUTION STRUCTURE OF M-MYRTX-TB1A PEPTIDE (BICARINALIN) FROM ANT TITLE 2 PEPTIDE VENOM. COMPND MOL_ID: 1; COMPND 2 MOLECULE: M-MYRTX-TB1A; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: OTHER NAME: BICARINALIN SOURCE MOL_ID: 1 KEYWDS ALPHA-HELIX EXPDTA NMR NUMMDL 15 AUTHOR F.PAQUET,L.JOUVENSAL,K.LOTH JRNL AUTH S.ASCOET,F.PAQUET,L.JOUVENSAL,K.LOTH,M.TREILHOU JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : ARIA 2.3.1 REMARK 3 AUTHORS : LINGE, O'DONOGHUE AND NILGES REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 NULL COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON NULL. REMARK 100 THE BMRB ID CODE IS SMS21100. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 4.6 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H NOESY; 2D 1H-1H TOCSY; REMARK 210 2D 1H-15N HSQC; 2D 1H-13C HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 700 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CCPNMR 2.1, TOPSPIN 3.6.2 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1000 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 15 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 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 3 174.37 -42.35 REMARK 500 1 ILE A 4 176.72 60.81 REMARK 500 1 PRO A 5 40.17 -58.10 REMARK 500 2 ILE A 2 -70.40 -133.81 REMARK 500 2 LYS A 3 153.04 -44.63 REMARK 500 2 ILE A 4 164.10 65.81 REMARK 500 2 PRO A 5 48.36 -58.22 REMARK 500 3 ILE A 2 -60.62 -123.33 REMARK 500 3 LYS A 3 150.49 -42.88 REMARK 500 3 ILE A 4 163.61 67.98 REMARK 500 3 PRO A 5 48.65 -58.79 REMARK 500 4 ILE A 2 -64.96 -121.92 REMARK 500 4 LYS A 3 152.99 -45.66 REMARK 500 4 ILE A 4 165.90 66.81 REMARK 500 4 PRO A 5 46.16 -56.85 REMARK 500 5 ILE A 2 -65.53 -134.20 REMARK 500 5 LYS A 3 152.13 -45.27 REMARK 500 5 ILE A 4 164.12 67.16 REMARK 500 5 PRO A 5 45.70 -58.38 REMARK 500 6 ILE A 2 -169.98 -164.24 REMARK 500 6 LYS A 3 171.48 -40.64 REMARK 500 6 ILE A 4 162.19 66.24 REMARK 500 6 PRO A 5 48.15 -59.57 REMARK 500 6 LYS A 8 -72.01 -69.65 REMARK 500 7 ILE A 2 -68.51 -129.80 REMARK 500 7 LYS A 3 152.09 -46.55 REMARK 500 7 ILE A 4 164.46 66.02 REMARK 500 7 PRO A 5 48.63 -57.09 REMARK 500 8 ILE A 2 -64.08 -132.98 REMARK 500 8 LYS A 3 154.75 -47.20 REMARK 500 8 ILE A 4 165.01 66.89 REMARK 500 8 PRO A 5 47.09 -58.79 REMARK 500 9 ILE A 2 -73.61 -132.94 REMARK 500 9 LYS A 3 153.07 -46.26 REMARK 500 9 ILE A 4 165.03 65.62 REMARK 500 9 PRO A 5 47.14 -56.94 REMARK 500 10 ILE A 2 -70.65 -123.89 REMARK 500 10 LYS A 3 150.90 -45.23 REMARK 500 10 ILE A 4 165.88 65.99 REMARK 500 10 PRO A 5 46.37 -56.68 REMARK 500 11 ILE A 2 -88.86 74.15 REMARK 500 11 ILE A 4 165.29 65.85 REMARK 500 11 PRO A 5 47.93 -58.04 REMARK 500 12 ILE A 2 -66.78 -131.75 REMARK 500 12 LYS A 3 155.67 -47.95 REMARK 500 12 ILE A 4 166.09 66.18 REMARK 500 12 PRO A 5 48.49 -58.75 REMARK 500 13 LYS A 3 158.56 -48.96 REMARK 500 13 ILE A 4 165.20 66.84 REMARK 500 13 PRO A 5 49.46 -61.14 REMARK 500 REMARK 500 THIS ENTRY HAS 57 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: SMS21098 RELATED DB: BMRB REMARK 900 RELATED ID: SMS21099 RELATED DB: BMRB REMARK 900 RELATED ID: SMS21100 RELATED DB: BMRB REMARK 900 RELATED ID: SMS21101 RELATED DB: BMRB SEQRES 1 A 20 LYS ILE LYS ILE PRO TRP GLY LYS VAL LYS ASP PHE LEU SEQRES 2 A 20 VAL GLY GLY MET LYS ALA VAL HELIX 1 AA1 LYS A 3 PRO A 5 5 3 HELIX 2 AA2 TRP A 6 LYS A 18 1 13 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 LYS A 1 -3.878 4.032 0.241 1.00 1.55 N ATOM 2 CA LYS A 1 -4.872 4.928 -0.393 1.00 1.01 C ATOM 3 C LYS A 1 -6.170 4.947 0.406 1.00 0.98 C ATOM 4 O LYS A 1 -6.653 6.014 0.787 1.00 1.92 O ATOM 5 CB LYS A 1 -5.156 4.495 -1.837 1.00 0.98 C ATOM 6 CG LYS A 1 -3.918 4.453 -2.723 1.00 0.89 C ATOM 7 CD LYS A 1 -4.274 4.302 -4.199 1.00 1.56 C ATOM 8 CE LYS A 1 -5.099 3.052 -4.470 1.00 2.04 C ATOM 9 NZ LYS A 1 -5.387 2.878 -5.920 1.00 2.60 N ATOM 10 H1 LYS A 1 -4.182 3.083 0.191 1.00 2.00 H ATOM 11 H2 LYS A 1 -3.761 4.279 1.204 1.00 1.96 H ATOM 12 H3 LYS A 1 -2.995 4.120 -0.218 1.00 1.89 H ATOM 13 HA LYS A 1 -4.463 5.928 -0.402 1.00 1.36 H ATOM 14 HB2 LYS A 1 -5.595 3.510 -1.822 1.00 1.48 H ATOM 15 HB3 LYS A 1 -5.862 5.186 -2.275 1.00 1.44 H ATOM 16 HG2 LYS A 1 -3.364 5.370 -2.589 1.00 1.25 H ATOM 17 HG3 LYS A 1 -3.305 3.616 -2.423 1.00 1.20 H ATOM 18 HD2 LYS A 1 -4.841 5.165 -4.510 1.00 2.12 H ATOM 19 HD3 LYS A 1 -3.360 4.248 -4.771 1.00 2.15 H ATOM 20 HE2 LYS A 1 -4.555 2.191 -4.114 1.00 2.47 H ATOM 21 HE3 LYS A 1 -6.035 3.131 -3.935 1.00 2.49 H ATOM 22 HZ1 LYS A 1 -4.540 2.706 -6.424 1.00 2.97 H ATOM 23 HZ2 LYS A 1 -5.812 3.703 -6.289 1.00 2.96 H ATOM 24 HZ3 LYS A 1 -6.011 2.109 -6.063 1.00 2.93 H ATOM 25 N ILE A 2 -6.730 3.769 0.671 1.00 0.89 N ATOM 26 CA ILE A 2 -7.984 3.667 1.405 1.00 1.07 C ATOM 27 C ILE A 2 -8.236 2.202 1.786 1.00 0.72 C ATOM 28 O ILE A 2 -7.366 1.349 1.571 1.00 0.78 O ATOM 29 CB ILE A 2 -9.162 4.234 0.555 1.00 1.69 C ATOM 30 CG1 ILE A 2 -10.329 4.709 1.435 1.00 2.06 C ATOM 31 CG2 ILE A 2 -9.647 3.214 -0.466 1.00 2.45 C ATOM 32 CD1 ILE A 2 -9.948 5.789 2.428 1.00 2.60 C ATOM 33 H ILE A 2 -6.289 2.947 0.376 1.00 1.50 H ATOM 34 HA ILE A 2 -7.892 4.254 2.306 1.00 1.35 H ATOM 35 HB ILE A 2 -8.786 5.079 0.005 1.00 1.67 H ATOM 36 HG12 ILE A 2 -11.104 5.110 0.800 1.00 2.57 H ATOM 37 HG13 ILE A 2 -10.725 3.876 1.987 1.00 2.22 H ATOM 38 HG21 ILE A 2 -9.943 2.309 0.042 1.00 2.90 H ATOM 39 HG22 ILE A 2 -8.851 2.992 -1.161 1.00 2.80 H ATOM 40 HG23 ILE A 2 -10.491 3.617 -1.004 1.00 2.81 H ATOM 41 HD11 ILE A 2 -9.231 5.396 3.133 1.00 3.02 H ATOM 42 HD12 ILE A 2 -10.829 6.117 2.957 1.00 2.98 H ATOM 43 HD13 ILE A 2 -9.512 6.624 1.901 1.00 2.95 H ATOM 44 N LYS A 3 -9.405 1.929 2.361 1.00 0.49 N ATOM 45 CA LYS A 3 -9.843 0.578 2.717 1.00 0.34 C ATOM 46 C LYS A 3 -9.529 -0.463 1.634 1.00 0.24 C ATOM 47 O LYS A 3 -9.043 -0.132 0.543 1.00 0.31 O ATOM 48 CB LYS A 3 -11.348 0.608 3.013 1.00 0.53 C ATOM 49 CG LYS A 3 -12.187 1.308 1.944 1.00 1.27 C ATOM 50 CD LYS A 3 -12.530 0.382 0.789 1.00 1.81 C ATOM 51 CE LYS A 3 -13.466 1.053 -0.204 1.00 2.59 C ATOM 52 NZ LYS A 3 -13.897 0.124 -1.283 1.00 3.26 N ATOM 53 H LYS A 3 -9.997 2.673 2.577 1.00 0.60 H ATOM 54 HA LYS A 3 -9.326 0.297 3.620 1.00 0.43 H ATOM 55 HB2 LYS A 3 -11.702 -0.409 3.106 1.00 1.18 H ATOM 56 HB3 LYS A 3 -11.505 1.117 3.951 1.00 0.99 H ATOM 57 HG2 LYS A 3 -13.103 1.658 2.394 1.00 1.75 H ATOM 58 HG3 LYS A 3 -11.625 2.153 1.560 1.00 1.91 H ATOM 59 HD2 LYS A 3 -11.618 0.108 0.277 1.00 2.21 H ATOM 60 HD3 LYS A 3 -13.006 -0.502 1.179 1.00 2.20 H ATOM 61 HE2 LYS A 3 -14.339 1.404 0.326 1.00 3.04 H ATOM 62 HE3 LYS A 3 -12.954 1.894 -0.648 1.00 2.97 H ATOM 63 HZ1 LYS A 3 -14.394 -0.652 -0.892 1.00 3.57 H ATOM 64 HZ2 LYS A 3 -13.105 -0.221 -1.782 1.00 3.65 H ATOM 65 HZ3 LYS A 3 -14.496 0.601 -1.929 1.00 3.61 H ATOM 66 N ILE A 4 -9.796 -1.732 1.943 1.00 0.22 N ATOM 67 CA ILE A 4 -9.451 -2.821 1.037 1.00 0.21 C ATOM 68 C ILE A 4 -7.926 -2.823 0.828 1.00 0.14 C ATOM 69 O ILE A 4 -7.216 -1.995 1.417 1.00 0.13 O ATOM 70 CB ILE A 4 -10.249 -2.674 -0.306 1.00 0.30 C ATOM 71 CG1 ILE A 4 -11.136 -3.900 -0.541 1.00 0.60 C ATOM 72 CG2 ILE A 4 -9.345 -2.423 -1.510 1.00 0.25 C ATOM 73 CD1 ILE A 4 -11.913 -3.855 -1.840 1.00 0.77 C ATOM 74 H ILE A 4 -10.231 -1.938 2.798 1.00 0.28 H ATOM 75 HA ILE A 4 -9.739 -3.752 1.506 1.00 0.30 H ATOM 76 HB ILE A 4 -10.889 -1.810 -0.204 1.00 0.46 H ATOM 77 HG12 ILE A 4 -10.523 -4.786 -0.555 1.00 0.68 H ATOM 78 HG13 ILE A 4 -11.848 -3.975 0.264 1.00 0.74 H ATOM 79 HG21 ILE A 4 -9.937 -2.423 -2.412 1.00 1.06 H ATOM 80 HG22 ILE A 4 -8.594 -3.196 -1.569 1.00 1.06 H ATOM 81 HG23 ILE A 4 -8.857 -1.464 -1.400 1.00 1.05 H ATOM 82 HD11 ILE A 4 -12.578 -3.004 -1.833 1.00 1.29 H ATOM 83 HD12 ILE A 4 -12.489 -4.761 -1.946 1.00 1.31 H ATOM 84 HD13 ILE A 4 -11.225 -3.768 -2.668 1.00 1.30 H ATOM 85 N PRO A 5 -7.364 -3.777 0.084 1.00 0.18 N ATOM 86 CA PRO A 5 -5.981 -3.664 -0.379 1.00 0.19 C ATOM 87 C PRO A 5 -5.688 -2.405 -1.232 1.00 0.17 C ATOM 88 O PRO A 5 -4.947 -2.490 -2.205 1.00 0.32 O ATOM 89 CB PRO A 5 -5.780 -4.930 -1.216 1.00 0.31 C ATOM 90 CG PRO A 5 -6.784 -5.900 -0.699 1.00 0.46 C ATOM 91 CD PRO A 5 -7.964 -5.081 -0.263 1.00 0.29 C ATOM 92 HA PRO A 5 -5.299 -3.682 0.453 1.00 0.21 H ATOM 93 HB2 PRO A 5 -5.951 -4.702 -2.256 1.00 0.40 H ATOM 94 HB3 PRO A 5 -4.774 -5.296 -1.084 1.00 0.37 H ATOM 95 HG2 PRO A 5 -7.070 -6.584 -1.484 1.00 0.68 H ATOM 96 HG3 PRO A 5 -6.371 -6.441 0.139 1.00 0.67 H ATOM 97 HD2 PRO A 5 -8.673 -4.981 -1.068 1.00 0.31 H ATOM 98 HD3 PRO A 5 -8.434 -5.530 0.600 1.00 0.40 H ATOM 99 N TRP A 6 -6.240 -1.234 -0.878 1.00 0.14 N ATOM 100 CA TRP A 6 -5.793 0.002 -1.489 1.00 0.22 C ATOM 101 C TRP A 6 -4.856 0.664 -0.516 1.00 0.24 C ATOM 102 O TRP A 6 -3.936 1.383 -0.890 1.00 0.35 O ATOM 103 CB TRP A 6 -6.952 0.943 -1.830 1.00 0.27 C ATOM 104 CG TRP A 6 -7.863 0.418 -2.895 1.00 0.31 C ATOM 105 CD1 TRP A 6 -9.224 0.390 -2.857 1.00 0.35 C ATOM 106 CD2 TRP A 6 -7.482 -0.154 -4.152 1.00 0.38 C ATOM 107 NE1 TRP A 6 -9.716 -0.182 -4.005 1.00 0.41 N ATOM 108 CE2 TRP A 6 -8.666 -0.519 -4.819 1.00 0.44 C ATOM 109 CE3 TRP A 6 -6.254 -0.397 -4.778 1.00 0.43 C ATOM 110 CZ2 TRP A 6 -8.657 -1.114 -6.075 1.00 0.53 C ATOM 111 CZ3 TRP A 6 -6.248 -0.985 -6.025 1.00 0.53 C ATOM 112 CH2 TRP A 6 -7.443 -1.337 -6.663 1.00 0.57 C ATOM 113 H TRP A 6 -6.939 -1.195 -0.171 1.00 0.20 H ATOM 114 HA TRP A 6 -5.248 -0.246 -2.388 1.00 0.27 H ATOM 115 HB2 TRP A 6 -7.543 1.109 -0.942 1.00 0.25 H ATOM 116 HB3 TRP A 6 -6.552 1.886 -2.168 1.00 0.34 H ATOM 117 HD1 TRP A 6 -9.815 0.753 -2.030 1.00 0.35 H ATOM 118 HE1 TRP A 6 -10.667 -0.327 -4.208 1.00 0.46 H ATOM 119 HE3 TRP A 6 -5.323 -0.130 -4.303 1.00 0.41 H ATOM 120 HZ2 TRP A 6 -9.568 -1.391 -6.582 1.00 0.59 H ATOM 121 HZ3 TRP A 6 -5.307 -1.178 -6.522 1.00 0.58 H ATOM 122 HH2 TRP A 6 -7.390 -1.797 -7.637 1.00 0.66 H ATOM 123 N GLY A 7 -5.135 0.433 0.753 1.00 0.20 N ATOM 124 CA GLY A 7 -4.200 0.795 1.794 1.00 0.27 C ATOM 125 C GLY A 7 -3.125 -0.258 1.966 1.00 0.23 C ATOM 126 O GLY A 7 -1.946 0.068 2.106 1.00 0.31 O ATOM 127 H GLY A 7 -6.027 0.053 0.992 1.00 0.19 H ATOM 128 HA2 GLY A 7 -3.734 1.736 1.539 1.00 0.34 H ATOM 129 HA3 GLY A 7 -4.735 0.907 2.724 1.00 0.31 H ATOM 130 N LYS A 8 -3.533 -1.527 1.921 1.00 0.15 N ATOM 131 CA LYS A 8 -2.605 -2.642 2.122 1.00 0.18 C ATOM 132 C LYS A 8 -1.530 -2.663 1.040 1.00 0.16 C ATOM 133 O LYS A 8 -0.335 -2.710 1.341 1.00 0.22 O ATOM 134 CB LYS A 8 -3.351 -3.981 2.126 1.00 0.23 C ATOM 135 CG LYS A 8 -4.555 -4.014 3.054 1.00 1.19 C ATOM 136 CD LYS A 8 -5.245 -5.372 3.036 1.00 1.71 C ATOM 137 CE LYS A 8 -4.370 -6.472 3.622 1.00 2.35 C ATOM 138 NZ LYS A 8 -4.113 -6.276 5.073 1.00 2.94 N ATOM 139 H LYS A 8 -4.484 -1.716 1.764 1.00 0.14 H ATOM 140 HA LYS A 8 -2.129 -2.504 3.081 1.00 0.24 H ATOM 141 HB2 LYS A 8 -3.688 -4.195 1.124 1.00 0.89 H ATOM 142 HB3 LYS A 8 -2.666 -4.755 2.436 1.00 0.94 H ATOM 143 HG2 LYS A 8 -4.230 -3.801 4.060 1.00 1.93 H ATOM 144 HG3 LYS A 8 -5.260 -3.261 2.733 1.00 1.83 H ATOM 145 HD2 LYS A 8 -6.153 -5.306 3.615 1.00 2.15 H ATOM 146 HD3 LYS A 8 -5.488 -5.624 2.014 1.00 2.21 H ATOM 147 HE2 LYS A 8 -4.866 -7.419 3.481 1.00 2.75 H ATOM 148 HE3 LYS A 8 -3.427 -6.482 3.095 1.00 2.81 H ATOM 149 HZ1 LYS A 8 -3.567 -7.035 5.431 1.00 3.31 H ATOM 150 HZ2 LYS A 8 -4.977 -6.237 5.575 1.00 3.26 H ATOM 151 HZ3 LYS A 8 -3.618 -5.421 5.225 1.00 3.29 H ATOM 152 N VAL A 9 -1.957 -2.624 -0.218 1.00 0.13 N ATOM 153 CA VAL A 9 -1.024 -2.658 -1.335 1.00 0.16 C ATOM 154 C VAL A 9 -0.185 -1.388 -1.374 1.00 0.15 C ATOM 155 O VAL A 9 1.016 -1.445 -1.622 1.00 0.18 O ATOM 156 CB VAL A 9 -1.749 -2.853 -2.685 1.00 0.19 C ATOM 157 CG1 VAL A 9 -0.778 -2.751 -3.851 1.00 0.26 C ATOM 158 CG2 VAL A 9 -2.460 -4.196 -2.714 1.00 0.22 C ATOM 159 H VAL A 9 -2.917 -2.571 -0.398 1.00 0.13 H ATOM 160 HA VAL A 9 -0.364 -3.500 -1.182 1.00 0.20 H ATOM 161 HB VAL A 9 -2.490 -2.075 -2.790 1.00 0.19 H ATOM 162 HG11 VAL A 9 -0.319 -1.773 -3.852 1.00 1.05 H ATOM 163 HG12 VAL A 9 -1.312 -2.898 -4.778 1.00 1.04 H ATOM 164 HG13 VAL A 9 -0.013 -3.507 -3.753 1.00 1.05 H ATOM 165 HG21 VAL A 9 -3.170 -4.243 -1.902 1.00 1.03 H ATOM 166 HG22 VAL A 9 -1.736 -4.990 -2.607 1.00 1.06 H ATOM 167 HG23 VAL A 9 -2.981 -4.307 -3.653 1.00 1.04 H ATOM 168 N LYS A 10 -0.815 -0.248 -1.101 1.00 0.19 N ATOM 169 CA LYS A 10 -0.100 1.028 -1.075 1.00 0.26 C ATOM 170 C LYS A 10 1.050 0.979 -0.071 1.00 0.19 C ATOM 171 O LYS A 10 2.173 1.373 -0.384 1.00 0.18 O ATOM 172 CB LYS A 10 -1.046 2.172 -0.720 1.00 0.40 C ATOM 173 CG LYS A 10 -0.391 3.544 -0.763 1.00 0.53 C ATOM 174 CD LYS A 10 -0.005 3.941 -2.179 1.00 1.08 C ATOM 175 CE LYS A 10 0.624 5.324 -2.217 1.00 1.79 C ATOM 176 NZ LYS A 10 0.907 5.767 -3.607 1.00 2.56 N ATOM 177 H LYS A 10 -1.782 -0.263 -0.922 1.00 0.20 H ATOM 178 HA LYS A 10 0.306 1.198 -2.061 1.00 0.32 H ATOM 179 HB2 LYS A 10 -1.872 2.171 -1.415 1.00 0.48 H ATOM 180 HB3 LYS A 10 -1.428 2.012 0.277 1.00 0.43 H ATOM 181 HG2 LYS A 10 -1.082 4.273 -0.373 1.00 1.00 H ATOM 182 HG3 LYS A 10 0.499 3.526 -0.150 1.00 1.00 H ATOM 183 HD2 LYS A 10 0.705 3.224 -2.563 1.00 1.54 H ATOM 184 HD3 LYS A 10 -0.891 3.940 -2.796 1.00 1.45 H ATOM 185 HE2 LYS A 10 -0.052 6.026 -1.754 1.00 2.13 H ATOM 186 HE3 LYS A 10 1.550 5.297 -1.661 1.00 2.18 H ATOM 187 HZ1 LYS A 10 0.066 5.752 -4.151 1.00 2.94 H ATOM 188 HZ2 LYS A 10 1.576 5.162 -4.035 1.00 2.91 H ATOM 189 HZ3 LYS A 10 1.273 6.698 -3.603 1.00 2.98 H ATOM 190 N ASP A 11 0.758 0.483 1.128 1.00 0.21 N ATOM 191 CA ASP A 11 1.771 0.334 2.172 1.00 0.26 C ATOM 192 C ASP A 11 2.911 -0.561 1.703 1.00 0.19 C ATOM 193 O ASP A 11 4.083 -0.290 1.969 1.00 0.25 O ATOM 194 CB ASP A 11 1.145 -0.248 3.439 1.00 0.40 C ATOM 195 CG ASP A 11 2.178 -0.578 4.498 1.00 0.79 C ATOM 196 OD1 ASP A 11 2.455 -1.772 4.718 1.00 1.29 O ATOM 197 OD2 ASP A 11 2.722 0.362 5.115 1.00 0.82 O ATOM 198 H ASP A 11 -0.169 0.216 1.322 1.00 0.24 H ATOM 199 HA ASP A 11 2.167 1.315 2.392 1.00 0.33 H ATOM 200 HB2 ASP A 11 0.451 0.468 3.851 1.00 0.52 H ATOM 201 HB3 ASP A 11 0.613 -1.154 3.187 1.00 0.62 H ATOM 202 N PHE A 12 2.557 -1.623 0.998 1.00 0.17 N ATOM 203 CA PHE A 12 3.541 -2.559 0.475 1.00 0.23 C ATOM 204 C PHE A 12 4.378 -1.897 -0.617 1.00 0.20 C ATOM 205 O PHE A 12 5.586 -2.119 -0.710 1.00 0.31 O ATOM 206 CB PHE A 12 2.845 -3.808 -0.076 1.00 0.30 C ATOM 207 CG PHE A 12 3.798 -4.892 -0.494 1.00 0.44 C ATOM 208 CD1 PHE A 12 4.281 -5.801 0.435 1.00 0.60 C ATOM 209 CD2 PHE A 12 4.209 -5.005 -1.812 1.00 0.49 C ATOM 210 CE1 PHE A 12 5.157 -6.798 0.056 1.00 0.74 C ATOM 211 CE2 PHE A 12 5.086 -6.001 -2.195 1.00 0.64 C ATOM 212 CZ PHE A 12 5.560 -6.899 -1.261 1.00 0.75 C ATOM 213 H PHE A 12 1.604 -1.782 0.823 1.00 0.19 H ATOM 214 HA PHE A 12 4.191 -2.847 1.287 1.00 0.30 H ATOM 215 HB2 PHE A 12 2.194 -4.214 0.685 1.00 0.36 H ATOM 216 HB3 PHE A 12 2.256 -3.532 -0.937 1.00 0.27 H ATOM 217 HD1 PHE A 12 3.968 -5.724 1.465 1.00 0.66 H ATOM 218 HD2 PHE A 12 3.838 -4.301 -2.544 1.00 0.49 H ATOM 219 HE1 PHE A 12 5.528 -7.498 0.790 1.00 0.89 H ATOM 220 HE2 PHE A 12 5.399 -6.078 -3.225 1.00 0.72 H ATOM 221 HZ PHE A 12 6.244 -7.677 -1.558 1.00 0.88 H ATOM 222 N LEU A 13 3.727 -1.085 -1.440 1.00 0.14 N ATOM 223 CA LEU A 13 4.406 -0.371 -2.510 1.00 0.21 C ATOM 224 C LEU A 13 5.371 0.665 -1.943 1.00 0.23 C ATOM 225 O LEU A 13 6.578 0.580 -2.161 1.00 0.33 O ATOM 226 CB LEU A 13 3.390 0.308 -3.435 1.00 0.28 C ATOM 227 CG LEU A 13 2.453 -0.643 -4.188 1.00 0.36 C ATOM 228 CD1 LEU A 13 1.429 0.141 -4.994 1.00 0.47 C ATOM 229 CD2 LEU A 13 3.248 -1.569 -5.097 1.00 0.46 C ATOM 230 H LEU A 13 2.754 -0.969 -1.327 1.00 0.15 H ATOM 231 HA LEU A 13 4.973 -1.093 -3.080 1.00 0.29 H ATOM 232 HB2 LEU A 13 2.785 0.977 -2.839 1.00 0.28 H ATOM 233 HB3 LEU A 13 3.932 0.892 -4.161 1.00 0.35 H ATOM 234 HG LEU A 13 1.919 -1.253 -3.474 1.00 0.32 H ATOM 235 HD11 LEU A 13 1.937 0.772 -5.707 1.00 1.14 H ATOM 236 HD12 LEU A 13 0.839 0.754 -4.327 1.00 1.14 H ATOM 237 HD13 LEU A 13 0.780 -0.545 -5.519 1.00 1.12 H ATOM 238 HD21 LEU A 13 3.925 -2.163 -4.502 1.00 1.13 H ATOM 239 HD22 LEU A 13 3.812 -0.981 -5.805 1.00 1.12 H ATOM 240 HD23 LEU A 13 2.570 -2.219 -5.627 1.00 1.13 H ATOM 241 N VAL A 14 4.834 1.623 -1.193 1.00 0.25 N ATOM 242 CA VAL A 14 5.633 2.692 -0.611 1.00 0.37 C ATOM 243 C VAL A 14 6.742 2.128 0.272 1.00 0.45 C ATOM 244 O VAL A 14 7.914 2.479 0.119 1.00 0.52 O ATOM 245 CB VAL A 14 4.754 3.648 0.223 1.00 0.53 C ATOM 246 CG1 VAL A 14 5.591 4.750 0.844 1.00 1.22 C ATOM 247 CG2 VAL A 14 3.646 4.240 -0.632 1.00 1.19 C ATOM 248 H VAL A 14 3.867 1.611 -1.020 1.00 0.26 H ATOM 249 HA VAL A 14 6.079 3.255 -1.417 1.00 0.39 H ATOM 250 HB VAL A 14 4.298 3.080 1.021 1.00 1.03 H ATOM 251 HG11 VAL A 14 4.959 5.391 1.438 1.00 1.77 H ATOM 252 HG12 VAL A 14 6.058 5.328 0.060 1.00 1.79 H ATOM 253 HG13 VAL A 14 6.352 4.310 1.470 1.00 1.76 H ATOM 254 HG21 VAL A 14 3.023 3.444 -1.014 1.00 1.76 H ATOM 255 HG22 VAL A 14 4.079 4.786 -1.456 1.00 1.72 H ATOM 256 HG23 VAL A 14 3.047 4.908 -0.032 1.00 1.78 H ATOM 257 N GLY A 15 6.366 1.229 1.172 1.00 0.54 N ATOM 258 CA GLY A 15 7.327 0.636 2.081 1.00 0.72 C ATOM 259 C GLY A 15 8.378 -0.187 1.363 1.00 0.76 C ATOM 260 O GLY A 15 9.520 -0.273 1.813 1.00 0.91 O ATOM 261 H GLY A 15 5.419 0.965 1.222 1.00 0.53 H ATOM 262 HA2 GLY A 15 7.819 1.425 2.630 1.00 0.78 H ATOM 263 HA3 GLY A 15 6.803 0.000 2.778 1.00 0.85 H ATOM 264 N GLY A 16 7.992 -0.790 0.244 1.00 0.74 N ATOM 265 CA GLY A 16 8.916 -1.600 -0.527 1.00 0.92 C ATOM 266 C GLY A 16 9.899 -0.760 -1.315 1.00 0.95 C ATOM 267 O GLY A 16 11.087 -1.074 -1.370 1.00 1.20 O ATOM 268 H GLY A 16 7.065 -0.685 -0.061 1.00 0.67 H ATOM 269 HA2 GLY A 16 9.466 -2.240 0.147 1.00 1.10 H ATOM 270 HA3 GLY A 16 8.355 -2.215 -1.213 1.00 0.95 H ATOM 271 N MET A 17 9.407 0.318 -1.916 1.00 0.82 N ATOM 272 CA MET A 17 10.255 1.221 -2.691 1.00 0.98 C ATOM 273 C MET A 17 11.301 1.859 -1.796 1.00 1.04 C ATOM 274 O MET A 17 12.440 2.069 -2.201 1.00 1.22 O ATOM 275 CB MET A 17 9.421 2.320 -3.349 1.00 1.03 C ATOM 276 CG MET A 17 8.341 1.792 -4.264 1.00 1.22 C ATOM 277 SD MET A 17 7.349 3.107 -4.993 1.00 1.89 S ATOM 278 CE MET A 17 6.195 2.152 -5.973 1.00 2.61 C ATOM 279 H MET A 17 8.444 0.510 -1.840 1.00 0.72 H ATOM 280 HA MET A 17 10.750 0.643 -3.456 1.00 1.18 H ATOM 281 HB2 MET A 17 8.952 2.913 -2.576 1.00 1.50 H ATOM 282 HB3 MET A 17 10.077 2.954 -3.928 1.00 1.56 H ATOM 283 HG2 MET A 17 8.802 1.224 -5.055 1.00 1.64 H ATOM 284 HG3 MET A 17 7.693 1.148 -3.686 1.00 1.77 H ATOM 285 HE1 MET A 17 5.502 2.817 -6.463 1.00 3.04 H ATOM 286 HE2 MET A 17 5.652 1.476 -5.329 1.00 3.03 H ATOM 287 HE3 MET A 17 6.737 1.584 -6.714 1.00 3.03 H ATOM 288 N LYS A 18 10.898 2.163 -0.575 1.00 1.04 N ATOM 289 CA LYS A 18 11.797 2.778 0.390 1.00 1.24 C ATOM 290 C LYS A 18 12.681 1.731 1.067 1.00 1.56 C ATOM 291 O LYS A 18 13.598 2.066 1.819 1.00 2.01 O ATOM 292 CB LYS A 18 11.002 3.564 1.431 1.00 1.56 C ATOM 293 CG LYS A 18 10.194 4.702 0.833 1.00 2.04 C ATOM 294 CD LYS A 18 9.508 5.529 1.904 1.00 2.67 C ATOM 295 CE LYS A 18 8.660 6.635 1.296 1.00 3.27 C ATOM 296 NZ LYS A 18 9.465 7.567 0.461 1.00 3.89 N ATOM 297 H LYS A 18 9.964 1.978 -0.322 1.00 1.02 H ATOM 298 HA LYS A 18 12.432 3.463 -0.151 1.00 1.33 H ATOM 299 HB2 LYS A 18 10.321 2.891 1.931 1.00 2.01 H ATOM 300 HB3 LYS A 18 11.686 3.977 2.155 1.00 1.88 H ATOM 301 HG2 LYS A 18 10.854 5.342 0.269 1.00 2.29 H ATOM 302 HG3 LYS A 18 9.443 4.289 0.174 1.00 2.48 H ATOM 303 HD2 LYS A 18 8.872 4.885 2.492 1.00 3.05 H ATOM 304 HD3 LYS A 18 10.260 5.973 2.540 1.00 3.02 H ATOM 305 HE2 LYS A 18 7.896 6.187 0.679 1.00 3.60 H ATOM 306 HE3 LYS A 18 8.193 7.192 2.095 1.00 3.59 H ATOM 307 HZ1 LYS A 18 9.890 7.072 -0.297 1.00 4.24 H ATOM 308 HZ2 LYS A 18 10.183 7.993 1.011 1.00 4.15 H ATOM 309 HZ3 LYS A 18 8.875 8.286 0.090 1.00 4.19 H ATOM 310 N ALA A 19 12.408 0.464 0.792 1.00 1.66 N ATOM 311 CA ALA A 19 13.210 -0.624 1.329 1.00 2.22 C ATOM 312 C ALA A 19 14.375 -0.939 0.398 1.00 2.97 C ATOM 313 O ALA A 19 15.379 -1.525 0.811 1.00 3.52 O ATOM 314 CB ALA A 19 12.354 -1.860 1.548 1.00 2.40 C ATOM 315 H ALA A 19 11.645 0.254 0.211 1.00 1.57 H ATOM 316 HA ALA A 19 13.602 -0.309 2.286 1.00 2.48 H ATOM 317 HB1 ALA A 19 11.993 -2.221 0.597 1.00 2.69 H ATOM 318 HB2 ALA A 19 11.514 -1.609 2.179 1.00 2.74 H ATOM 319 HB3 ALA A 19 12.944 -2.628 2.024 1.00 2.70 H ATOM 320 N VAL A 20 14.236 -0.547 -0.860 1.00 3.41 N ATOM 321 CA VAL A 20 15.287 -0.755 -1.841 1.00 4.44 C ATOM 322 C VAL A 20 15.977 0.568 -2.177 1.00 5.14 C ATOM 323 O VAL A 20 15.381 1.411 -2.878 1.00 5.65 O ATOM 324 CB VAL A 20 14.759 -1.456 -3.122 1.00 4.95 C ATOM 325 CG1 VAL A 20 13.538 -0.748 -3.693 1.00 5.47 C ATOM 326 CG2 VAL A 20 15.858 -1.565 -4.172 1.00 5.14 C ATOM 327 OXT VAL A 20 17.116 0.767 -1.713 1.00 5.52 O ATOM 328 H VAL A 20 13.409 -0.097 -1.135 1.00 3.24 H ATOM 329 HA VAL A 20 16.021 -1.409 -1.386 1.00 4.72 H ATOM 330 HB VAL A 20 14.460 -2.458 -2.851 1.00 5.28 H ATOM 331 HG11 VAL A 20 13.799 0.268 -3.949 1.00 5.70 H ATOM 332 HG12 VAL A 20 12.748 -0.742 -2.956 1.00 5.79 H ATOM 333 HG13 VAL A 20 13.202 -1.267 -4.578 1.00 5.70 H ATOM 334 HG21 VAL A 20 15.465 -2.050 -5.053 1.00 5.35 H ATOM 335 HG22 VAL A 20 16.678 -2.145 -3.777 1.00 5.36 H ATOM 336 HG23 VAL A 20 16.207 -0.577 -4.430 1.00 5.32 H TER 337 VAL A 20 ENDMDL MODEL 2 ATOM 1 N LYS A 1 -6.011 6.533 0.514 1.00 1.55 N ATOM 2 CA LYS A 1 -6.587 5.181 0.354 1.00 1.01 C ATOM 3 C LYS A 1 -6.147 4.274 1.498 1.00 0.98 C ATOM 4 O LYS A 1 -4.961 4.193 1.822 1.00 1.92 O ATOM 5 CB LYS A 1 -6.163 4.578 -0.993 1.00 0.98 C ATOM 6 CG LYS A 1 -4.653 4.497 -1.187 1.00 0.89 C ATOM 7 CD LYS A 1 -4.280 3.882 -2.530 1.00 1.56 C ATOM 8 CE LYS A 1 -4.762 4.731 -3.695 1.00 2.04 C ATOM 9 NZ LYS A 1 -4.274 4.207 -4.998 1.00 2.60 N ATOM 10 H1 LYS A 1 -6.297 7.122 -0.242 1.00 2.00 H ATOM 11 H2 LYS A 1 -5.014 6.484 0.526 1.00 1.96 H ATOM 12 H3 LYS A 1 -6.321 6.936 1.375 1.00 1.89 H ATOM 13 HA LYS A 1 -7.663 5.269 0.377 1.00 1.36 H ATOM 14 HB2 LYS A 1 -6.567 3.580 -1.067 1.00 1.48 H ATOM 15 HB3 LYS A 1 -6.575 5.182 -1.787 1.00 1.44 H ATOM 16 HG2 LYS A 1 -4.240 5.494 -1.135 1.00 1.25 H ATOM 17 HG3 LYS A 1 -4.232 3.894 -0.396 1.00 1.20 H ATOM 18 HD2 LYS A 1 -3.206 3.791 -2.586 1.00 2.12 H ATOM 19 HD3 LYS A 1 -4.728 2.901 -2.601 1.00 2.15 H ATOM 20 HE2 LYS A 1 -5.841 4.735 -3.702 1.00 2.47 H ATOM 21 HE3 LYS A 1 -4.399 5.740 -3.564 1.00 2.49 H ATOM 22 HZ1 LYS A 1 -3.274 4.161 -4.998 1.00 2.97 H ATOM 23 HZ2 LYS A 1 -4.568 4.804 -5.741 1.00 2.96 H ATOM 24 HZ3 LYS A 1 -4.642 3.291 -5.159 1.00 2.93 H ATOM 25 N ILE A 2 -7.109 3.610 2.121 1.00 0.89 N ATOM 26 CA ILE A 2 -6.823 2.681 3.204 1.00 1.07 C ATOM 27 C ILE A 2 -7.602 1.383 2.999 1.00 0.72 C ATOM 28 O ILE A 2 -7.020 0.341 2.649 1.00 0.78 O ATOM 29 CB ILE A 2 -7.170 3.278 4.589 1.00 1.69 C ATOM 30 CG1 ILE A 2 -6.427 4.601 4.809 1.00 2.06 C ATOM 31 CG2 ILE A 2 -6.821 2.288 5.691 1.00 2.45 C ATOM 32 CD1 ILE A 2 -6.760 5.280 6.122 1.00 2.60 C ATOM 33 H ILE A 2 -8.043 3.739 1.838 1.00 1.50 H ATOM 34 HA ILE A 2 -5.766 2.465 3.184 1.00 1.35 H ATOM 35 HB ILE A 2 -8.234 3.459 4.623 1.00 1.67 H ATOM 36 HG12 ILE A 2 -5.365 4.416 4.796 1.00 2.57 H ATOM 37 HG13 ILE A 2 -6.678 5.283 4.010 1.00 2.22 H ATOM 38 HG21 ILE A 2 -7.037 2.729 6.653 1.00 2.90 H ATOM 39 HG22 ILE A 2 -5.771 2.044 5.635 1.00 2.80 H ATOM 40 HG23 ILE A 2 -7.407 1.390 5.567 1.00 2.81 H ATOM 41 HD11 ILE A 2 -6.497 4.627 6.941 1.00 3.02 H ATOM 42 HD12 ILE A 2 -7.817 5.493 6.158 1.00 2.98 H ATOM 43 HD13 ILE A 2 -6.203 6.202 6.203 1.00 2.95 H ATOM 44 N LYS A 3 -8.925 1.478 3.179 1.00 0.49 N ATOM 45 CA LYS A 3 -9.832 0.335 3.049 1.00 0.34 C ATOM 46 C LYS A 3 -9.507 -0.488 1.813 1.00 0.24 C ATOM 47 O LYS A 3 -8.942 0.038 0.836 1.00 0.31 O ATOM 48 CB LYS A 3 -11.285 0.810 2.981 1.00 0.53 C ATOM 49 CG LYS A 3 -11.771 1.498 4.248 1.00 1.27 C ATOM 50 CD LYS A 3 -11.792 0.546 5.433 1.00 1.81 C ATOM 51 CE LYS A 3 -12.336 1.224 6.680 1.00 2.59 C ATOM 52 NZ LYS A 3 -12.347 0.310 7.852 1.00 3.26 N ATOM 53 H LYS A 3 -9.304 2.353 3.403 1.00 0.60 H ATOM 54 HA LYS A 3 -9.708 -0.286 3.922 1.00 0.43 H ATOM 55 HB2 LYS A 3 -11.384 1.505 2.161 1.00 1.18 H ATOM 56 HB3 LYS A 3 -11.920 -0.043 2.796 1.00 0.99 H ATOM 57 HG2 LYS A 3 -11.109 2.321 4.473 1.00 1.75 H ATOM 58 HG3 LYS A 3 -12.770 1.873 4.080 1.00 1.91 H ATOM 59 HD2 LYS A 3 -12.420 -0.300 5.194 1.00 2.21 H ATOM 60 HD3 LYS A 3 -10.786 0.206 5.628 1.00 2.20 H ATOM 61 HE2 LYS A 3 -11.716 2.079 6.907 1.00 3.04 H ATOM 62 HE3 LYS A 3 -13.345 1.556 6.483 1.00 2.97 H ATOM 63 HZ1 LYS A 3 -12.701 0.787 8.657 1.00 3.57 H ATOM 64 HZ2 LYS A 3 -11.420 -0.009 8.048 1.00 3.65 H ATOM 65 HZ3 LYS A 3 -12.926 -0.485 7.664 1.00 3.61 H ATOM 66 N ILE A 4 -9.839 -1.783 1.865 1.00 0.22 N ATOM 67 CA ILE A 4 -9.489 -2.697 0.789 1.00 0.21 C ATOM 68 C ILE A 4 -7.962 -2.828 0.735 1.00 0.14 C ATOM 69 O ILE A 4 -7.242 -2.062 1.387 1.00 0.13 O ATOM 70 CB ILE A 4 -10.078 -2.156 -0.553 1.00 0.30 C ATOM 71 CG1 ILE A 4 -11.583 -2.440 -0.604 1.00 0.60 C ATOM 72 CG2 ILE A 4 -9.379 -2.714 -1.787 1.00 0.25 C ATOM 73 CD1 ILE A 4 -12.264 -1.919 -1.853 1.00 0.77 C ATOM 74 H ILE A 4 -10.323 -2.125 2.644 1.00 0.28 H ATOM 75 HA ILE A 4 -9.927 -3.662 1.002 1.00 0.30 H ATOM 76 HB ILE A 4 -9.937 -1.086 -0.560 1.00 0.46 H ATOM 77 HG12 ILE A 4 -11.742 -3.507 -0.563 1.00 0.68 H ATOM 78 HG13 ILE A 4 -12.057 -1.978 0.249 1.00 0.74 H ATOM 79 HG21 ILE A 4 -9.681 -3.737 -1.942 1.00 1.06 H ATOM 80 HG22 ILE A 4 -8.304 -2.671 -1.640 1.00 1.06 H ATOM 81 HG23 ILE A 4 -9.646 -2.123 -2.651 1.00 1.05 H ATOM 82 HD11 ILE A 4 -11.842 -2.401 -2.721 1.00 1.29 H ATOM 83 HD12 ILE A 4 -12.113 -0.852 -1.926 1.00 1.31 H ATOM 84 HD13 ILE A 4 -13.321 -2.131 -1.801 1.00 1.30 H ATOM 85 N PRO A 5 -7.413 -3.836 0.057 1.00 0.18 N ATOM 86 CA PRO A 5 -6.012 -3.794 -0.328 1.00 0.19 C ATOM 87 C PRO A 5 -5.667 -2.572 -1.201 1.00 0.17 C ATOM 88 O PRO A 5 -5.026 -2.711 -2.236 1.00 0.32 O ATOM 89 CB PRO A 5 -5.806 -5.092 -1.109 1.00 0.31 C ATOM 90 CG PRO A 5 -6.884 -6.006 -0.639 1.00 0.46 C ATOM 91 CD PRO A 5 -8.048 -5.130 -0.270 1.00 0.29 C ATOM 92 HA PRO A 5 -5.379 -3.793 0.540 1.00 0.21 H ATOM 93 HB2 PRO A 5 -5.889 -4.892 -2.166 1.00 0.40 H ATOM 94 HB3 PRO A 5 -4.827 -5.492 -0.889 1.00 0.37 H ATOM 95 HG2 PRO A 5 -7.162 -6.682 -1.434 1.00 0.68 H ATOM 96 HG3 PRO A 5 -6.546 -6.562 0.221 1.00 0.67 H ATOM 97 HD2 PRO A 5 -8.724 -5.033 -1.103 1.00 0.31 H ATOM 98 HD3 PRO A 5 -8.564 -5.532 0.590 1.00 0.40 H ATOM 99 N TRP A 6 -6.091 -1.374 -0.786 1.00 0.14 N ATOM 100 CA TRP A 6 -5.624 -0.157 -1.412 1.00 0.22 C ATOM 101 C TRP A 6 -4.629 0.451 -0.472 1.00 0.24 C ATOM 102 O TRP A 6 -3.522 0.807 -0.855 1.00 0.35 O ATOM 103 CB TRP A 6 -6.754 0.835 -1.689 1.00 0.27 C ATOM 104 CG TRP A 6 -7.697 0.406 -2.767 1.00 0.31 C ATOM 105 CD1 TRP A 6 -9.055 0.386 -2.692 1.00 0.35 C ATOM 106 CD2 TRP A 6 -7.357 -0.058 -4.081 1.00 0.38 C ATOM 107 NE1 TRP A 6 -9.587 -0.064 -3.875 1.00 0.41 N ATOM 108 CE2 TRP A 6 -8.564 -0.346 -4.744 1.00 0.44 C ATOM 109 CE3 TRP A 6 -6.151 -0.262 -4.760 1.00 0.43 C ATOM 110 CZ2 TRP A 6 -8.601 -0.822 -6.052 1.00 0.53 C ATOM 111 CZ3 TRP A 6 -6.188 -0.736 -6.057 1.00 0.53 C ATOM 112 CH2 TRP A 6 -7.407 -1.011 -6.692 1.00 0.57 C ATOM 113 H TRP A 6 -6.713 -1.306 -0.005 1.00 0.20 H ATOM 114 HA TRP A 6 -5.129 -0.417 -2.338 1.00 0.27 H ATOM 115 HB2 TRP A 6 -7.328 0.972 -0.785 1.00 0.25 H ATOM 116 HB3 TRP A 6 -6.325 1.781 -1.980 1.00 0.34 H ATOM 117 HD1 TRP A 6 -9.618 0.681 -1.820 1.00 0.35 H ATOM 118 HE1 TRP A 6 -10.546 -0.169 -4.065 1.00 0.46 H ATOM 119 HE3 TRP A 6 -5.201 -0.055 -4.289 1.00 0.41 H ATOM 120 HZ2 TRP A 6 -9.531 -1.040 -6.554 1.00 0.59 H ATOM 121 HZ3 TRP A 6 -5.267 -0.898 -6.597 1.00 0.58 H ATOM 122 HH2 TRP A 6 -7.389 -1.381 -7.705 1.00 0.66 H ATOM 123 N GLY A 7 -5.037 0.531 0.784 1.00 0.20 N ATOM 124 CA GLY A 7 -4.117 0.899 1.831 1.00 0.27 C ATOM 125 C GLY A 7 -3.087 -0.183 2.061 1.00 0.23 C ATOM 126 O GLY A 7 -1.931 0.108 2.366 1.00 0.31 O ATOM 127 H GLY A 7 -5.992 0.348 1.001 1.00 0.19 H ATOM 128 HA2 GLY A 7 -3.615 1.815 1.557 1.00 0.34 H ATOM 129 HA3 GLY A 7 -4.667 1.054 2.744 1.00 0.31 H ATOM 130 N LYS A 8 -3.500 -1.441 1.911 1.00 0.15 N ATOM 131 CA LYS A 8 -2.584 -2.558 2.121 1.00 0.18 C ATOM 132 C LYS A 8 -1.569 -2.644 0.988 1.00 0.16 C ATOM 133 O LYS A 8 -0.375 -2.817 1.231 1.00 0.22 O ATOM 134 CB LYS A 8 -3.341 -3.880 2.250 1.00 0.23 C ATOM 135 CG LYS A 8 -4.386 -3.883 3.353 1.00 1.19 C ATOM 136 CD LYS A 8 -3.755 -3.621 4.713 1.00 1.71 C ATOM 137 CE LYS A 8 -4.787 -3.658 5.828 1.00 2.35 C ATOM 138 NZ LYS A 8 -4.175 -3.393 7.157 1.00 2.94 N ATOM 139 H LYS A 8 -4.440 -1.619 1.662 1.00 0.14 H ATOM 140 HA LYS A 8 -2.051 -2.371 3.041 1.00 0.24 H ATOM 141 HB2 LYS A 8 -3.825 -4.098 1.316 1.00 0.89 H ATOM 142 HB3 LYS A 8 -2.629 -4.664 2.461 1.00 0.94 H ATOM 143 HG2 LYS A 8 -5.114 -3.113 3.148 1.00 1.93 H ATOM 144 HG3 LYS A 8 -4.873 -4.846 3.371 1.00 1.83 H ATOM 145 HD2 LYS A 8 -3.009 -4.376 4.903 1.00 2.15 H ATOM 146 HD3 LYS A 8 -3.288 -2.647 4.700 1.00 2.21 H ATOM 147 HE2 LYS A 8 -5.537 -2.908 5.634 1.00 2.75 H ATOM 148 HE3 LYS A 8 -5.249 -4.633 5.842 1.00 2.81 H ATOM 149 HZ1 LYS A 8 -4.879 -3.409 7.868 1.00 3.31 H ATOM 150 HZ2 LYS A 8 -3.734 -2.495 7.164 1.00 3.26 H ATOM 151 HZ3 LYS A 8 -3.488 -4.089 7.367 1.00 3.29 H ATOM 152 N VAL A 9 -2.041 -2.521 -0.248 1.00 0.13 N ATOM 153 CA VAL A 9 -1.147 -2.544 -1.396 1.00 0.16 C ATOM 154 C VAL A 9 -0.280 -1.292 -1.420 1.00 0.15 C ATOM 155 O VAL A 9 0.917 -1.372 -1.696 1.00 0.18 O ATOM 156 CB VAL A 9 -1.917 -2.696 -2.728 1.00 0.19 C ATOM 157 CG1 VAL A 9 -1.026 -2.385 -3.923 1.00 0.26 C ATOM 158 CG2 VAL A 9 -2.472 -4.107 -2.852 1.00 0.22 C ATOM 159 H VAL A 9 -3.005 -2.414 -0.392 1.00 0.13 H ATOM 160 HA VAL A 9 -0.499 -3.403 -1.283 1.00 0.20 H ATOM 161 HB VAL A 9 -2.745 -2.003 -2.728 1.00 0.19 H ATOM 162 HG11 VAL A 9 -0.183 -3.057 -3.928 1.00 1.05 H ATOM 163 HG12 VAL A 9 -0.674 -1.366 -3.855 1.00 1.04 H ATOM 164 HG13 VAL A 9 -1.592 -2.510 -4.834 1.00 1.05 H ATOM 165 HG21 VAL A 9 -1.663 -4.818 -2.799 1.00 1.03 H ATOM 166 HG22 VAL A 9 -2.980 -4.210 -3.798 1.00 1.06 H ATOM 167 HG23 VAL A 9 -3.168 -4.291 -2.047 1.00 1.04 H ATOM 168 N LYS A 10 -0.874 -0.139 -1.112 1.00 0.19 N ATOM 169 CA LYS A 10 -0.105 1.105 -1.032 1.00 0.26 C ATOM 170 C LYS A 10 1.046 0.975 -0.036 1.00 0.19 C ATOM 171 O LYS A 10 2.191 1.306 -0.352 1.00 0.18 O ATOM 172 CB LYS A 10 -0.984 2.286 -0.618 1.00 0.40 C ATOM 173 CG LYS A 10 -0.194 3.567 -0.409 1.00 0.53 C ATOM 174 CD LYS A 10 -1.011 4.634 0.292 1.00 1.08 C ATOM 175 CE LYS A 10 -0.136 5.815 0.682 1.00 1.79 C ATOM 176 NZ LYS A 10 0.415 6.523 -0.505 1.00 2.56 N ATOM 177 H LYS A 10 -1.853 -0.122 -0.954 1.00 0.20 H ATOM 178 HA LYS A 10 0.307 1.302 -2.012 1.00 0.32 H ATOM 179 HB2 LYS A 10 -1.722 2.461 -1.387 1.00 0.48 H ATOM 180 HB3 LYS A 10 -1.487 2.042 0.307 1.00 0.43 H ATOM 181 HG2 LYS A 10 0.676 3.345 0.189 1.00 1.00 H ATOM 182 HG3 LYS A 10 0.118 3.942 -1.373 1.00 1.00 H ATOM 183 HD2 LYS A 10 -1.793 4.974 -0.370 1.00 1.54 H ATOM 184 HD3 LYS A 10 -1.449 4.211 1.185 1.00 1.45 H ATOM 185 HE2 LYS A 10 -0.724 6.508 1.262 1.00 2.13 H ATOM 186 HE3 LYS A 10 0.686 5.449 1.283 1.00 2.18 H ATOM 187 HZ1 LYS A 10 1.061 7.232 -0.215 1.00 2.94 H ATOM 188 HZ2 LYS A 10 -0.322 6.957 -1.021 1.00 2.91 H ATOM 189 HZ3 LYS A 10 0.890 5.879 -1.105 1.00 2.98 H ATOM 190 N ASP A 11 0.733 0.490 1.163 1.00 0.21 N ATOM 191 CA ASP A 11 1.731 0.338 2.219 1.00 0.26 C ATOM 192 C ASP A 11 2.852 -0.585 1.766 1.00 0.19 C ATOM 193 O ASP A 11 4.012 -0.382 2.111 1.00 0.25 O ATOM 194 CB ASP A 11 1.089 -0.218 3.492 1.00 0.40 C ATOM 195 CG ASP A 11 2.076 -0.349 4.638 1.00 0.79 C ATOM 196 OD1 ASP A 11 2.723 -1.409 4.749 1.00 1.29 O ATOM 197 OD2 ASP A 11 2.221 0.610 5.426 1.00 0.82 O ATOM 198 H ASP A 11 -0.198 0.233 1.346 1.00 0.24 H ATOM 199 HA ASP A 11 2.144 1.314 2.426 1.00 0.33 H ATOM 200 HB2 ASP A 11 0.294 0.442 3.803 1.00 0.52 H ATOM 201 HB3 ASP A 11 0.678 -1.194 3.281 1.00 0.62 H ATOM 202 N PHE A 12 2.488 -1.588 0.982 1.00 0.17 N ATOM 203 CA PHE A 12 3.448 -2.544 0.455 1.00 0.23 C ATOM 204 C PHE A 12 4.337 -1.882 -0.599 1.00 0.20 C ATOM 205 O PHE A 12 5.556 -2.056 -0.599 1.00 0.31 O ATOM 206 CB PHE A 12 2.699 -3.739 -0.142 1.00 0.30 C ATOM 207 CG PHE A 12 3.579 -4.896 -0.521 1.00 0.44 C ATOM 208 CD1 PHE A 12 3.943 -5.840 0.424 1.00 0.60 C ATOM 209 CD2 PHE A 12 4.032 -5.044 -1.822 1.00 0.49 C ATOM 210 CE1 PHE A 12 4.743 -6.912 0.079 1.00 0.74 C ATOM 211 CE2 PHE A 12 4.833 -6.111 -2.172 1.00 0.64 C ATOM 212 CZ PHE A 12 5.189 -7.047 -1.221 1.00 0.75 C ATOM 213 H PHE A 12 1.539 -1.692 0.755 1.00 0.19 H ATOM 214 HA PHE A 12 4.066 -2.885 1.273 1.00 0.30 H ATOM 215 HB2 PHE A 12 1.979 -4.097 0.578 1.00 0.36 H ATOM 216 HB3 PHE A 12 2.177 -3.414 -1.030 1.00 0.27 H ATOM 217 HD1 PHE A 12 3.597 -5.734 1.441 1.00 0.66 H ATOM 218 HD2 PHE A 12 3.753 -4.312 -2.566 1.00 0.49 H ATOM 219 HE1 PHE A 12 5.021 -7.642 0.823 1.00 0.89 H ATOM 220 HE2 PHE A 12 5.180 -6.215 -3.189 1.00 0.72 H ATOM 221 HZ PHE A 12 5.815 -7.885 -1.493 1.00 0.88 H ATOM 222 N LEU A 13 3.718 -1.112 -1.489 1.00 0.14 N ATOM 223 CA LEU A 13 4.441 -0.425 -2.557 1.00 0.21 C ATOM 224 C LEU A 13 5.398 0.620 -1.993 1.00 0.23 C ATOM 225 O LEU A 13 6.605 0.575 -2.241 1.00 0.33 O ATOM 226 CB LEU A 13 3.457 0.248 -3.520 1.00 0.28 C ATOM 227 CG LEU A 13 2.509 -0.698 -4.259 1.00 0.36 C ATOM 228 CD1 LEU A 13 1.518 0.092 -5.100 1.00 0.47 C ATOM 229 CD2 LEU A 13 3.294 -1.670 -5.128 1.00 0.46 C ATOM 230 H LEU A 13 2.741 -1.005 -1.428 1.00 0.15 H ATOM 231 HA LEU A 13 5.012 -1.164 -3.099 1.00 0.29 H ATOM 232 HB2 LEU A 13 2.861 0.950 -2.955 1.00 0.28 H ATOM 233 HB3 LEU A 13 4.026 0.797 -4.254 1.00 0.35 H ATOM 234 HG LEU A 13 1.949 -1.273 -3.536 1.00 0.32 H ATOM 235 HD11 LEU A 13 0.841 -0.589 -5.597 1.00 1.14 H ATOM 236 HD12 LEU A 13 2.051 0.670 -5.840 1.00 1.14 H ATOM 237 HD13 LEU A 13 0.953 0.757 -4.462 1.00 1.12 H ATOM 238 HD21 LEU A 13 2.609 -2.316 -5.657 1.00 1.13 H ATOM 239 HD22 LEU A 13 3.942 -2.269 -4.505 1.00 1.12 H ATOM 240 HD23 LEU A 13 3.890 -1.118 -5.840 1.00 1.13 H ATOM 241 N VAL A 14 4.854 1.561 -1.233 1.00 0.25 N ATOM 242 CA VAL A 14 5.645 2.637 -0.660 1.00 0.37 C ATOM 243 C VAL A 14 6.602 2.089 0.390 1.00 0.45 C ATOM 244 O VAL A 14 7.742 2.539 0.511 1.00 0.52 O ATOM 245 CB VAL A 14 4.748 3.715 -0.022 1.00 0.53 C ATOM 246 CG1 VAL A 14 5.574 4.912 0.412 1.00 1.22 C ATOM 247 CG2 VAL A 14 3.648 4.142 -0.983 1.00 1.19 C ATOM 248 H VAL A 14 3.889 1.530 -1.049 1.00 0.26 H ATOM 249 HA VAL A 14 6.217 3.093 -1.455 1.00 0.39 H ATOM 250 HB VAL A 14 4.282 3.291 0.856 1.00 1.03 H ATOM 251 HG11 VAL A 14 6.319 4.593 1.125 1.00 1.77 H ATOM 252 HG12 VAL A 14 4.930 5.648 0.867 1.00 1.79 H ATOM 253 HG13 VAL A 14 6.061 5.341 -0.450 1.00 1.76 H ATOM 254 HG21 VAL A 14 4.090 4.506 -1.899 1.00 1.76 H ATOM 255 HG22 VAL A 14 3.060 4.926 -0.531 1.00 1.72 H ATOM 256 HG23 VAL A 14 3.012 3.295 -1.200 1.00 1.78 H ATOM 257 N GLY A 15 6.133 1.099 1.136 1.00 0.54 N ATOM 258 CA GLY A 15 6.950 0.473 2.155 1.00 0.72 C ATOM 259 C GLY A 15 8.212 -0.143 1.593 1.00 0.76 C ATOM 260 O GLY A 15 9.289 0.012 2.162 1.00 0.91 O ATOM 261 H GLY A 15 5.208 0.796 0.999 1.00 0.53 H ATOM 262 HA2 GLY A 15 7.221 1.215 2.888 1.00 0.78 H ATOM 263 HA3 GLY A 15 6.371 -0.300 2.638 1.00 0.85 H ATOM 264 N GLY A 16 8.081 -0.823 0.462 1.00 0.74 N ATOM 265 CA GLY A 16 9.223 -1.476 -0.151 1.00 0.92 C ATOM 266 C GLY A 16 10.297 -0.497 -0.580 1.00 0.95 C ATOM 267 O GLY A 16 11.488 -0.762 -0.416 1.00 1.20 O ATOM 268 H GLY A 16 7.197 -0.888 0.038 1.00 0.67 H ATOM 269 HA2 GLY A 16 9.649 -2.170 0.558 1.00 1.10 H ATOM 270 HA3 GLY A 16 8.887 -2.024 -1.017 1.00 0.95 H ATOM 271 N MET A 17 9.883 0.643 -1.115 1.00 0.82 N ATOM 272 CA MET A 17 10.831 1.629 -1.624 1.00 0.98 C ATOM 273 C MET A 17 11.482 2.413 -0.482 1.00 1.04 C ATOM 274 O MET A 17 12.651 2.789 -0.570 1.00 1.22 O ATOM 275 CB MET A 17 10.150 2.584 -2.616 1.00 1.03 C ATOM 276 CG MET A 17 9.095 3.485 -1.995 1.00 1.22 C ATOM 277 SD MET A 17 8.260 4.531 -3.203 1.00 1.89 S ATOM 278 CE MET A 17 9.634 5.497 -3.827 1.00 2.61 C ATOM 279 H MET A 17 8.920 0.821 -1.177 1.00 0.72 H ATOM 280 HA MET A 17 11.606 1.087 -2.146 1.00 1.18 H ATOM 281 HB2 MET A 17 10.903 3.211 -3.065 1.00 1.50 H ATOM 282 HB3 MET A 17 9.678 1.997 -3.391 1.00 1.56 H ATOM 283 HG2 MET A 17 8.357 2.867 -1.507 1.00 1.64 H ATOM 284 HG3 MET A 17 9.572 4.117 -1.260 1.00 1.77 H ATOM 285 HE1 MET A 17 10.360 4.840 -4.280 1.00 3.04 H ATOM 286 HE2 MET A 17 10.095 6.036 -3.012 1.00 3.03 H ATOM 287 HE3 MET A 17 9.273 6.198 -4.564 1.00 3.03 H ATOM 288 N LYS A 18 10.740 2.638 0.598 1.00 1.04 N ATOM 289 CA LYS A 18 11.265 3.409 1.721 1.00 1.24 C ATOM 290 C LYS A 18 12.057 2.512 2.670 1.00 1.56 C ATOM 291 O LYS A 18 12.736 2.996 3.578 1.00 2.01 O ATOM 292 CB LYS A 18 10.135 4.115 2.480 1.00 1.56 C ATOM 293 CG LYS A 18 9.260 3.185 3.306 1.00 2.04 C ATOM 294 CD LYS A 18 8.217 3.967 4.088 1.00 2.67 C ATOM 295 CE LYS A 18 7.420 3.069 5.019 1.00 3.27 C ATOM 296 NZ LYS A 18 6.432 3.838 5.821 1.00 3.89 N ATOM 297 H LYS A 18 9.826 2.283 0.640 1.00 1.02 H ATOM 298 HA LYS A 18 11.933 4.157 1.320 1.00 1.33 H ATOM 299 HB2 LYS A 18 10.567 4.845 3.145 1.00 2.01 H ATOM 300 HB3 LYS A 18 9.503 4.625 1.766 1.00 1.88 H ATOM 301 HG2 LYS A 18 8.759 2.495 2.645 1.00 2.29 H ATOM 302 HG3 LYS A 18 9.883 2.639 3.999 1.00 2.48 H ATOM 303 HD2 LYS A 18 8.718 4.722 4.675 1.00 3.05 H ATOM 304 HD3 LYS A 18 7.542 4.441 3.392 1.00 3.02 H ATOM 305 HE2 LYS A 18 6.894 2.336 4.428 1.00 3.60 H ATOM 306 HE3 LYS A 18 8.104 2.568 5.686 1.00 3.59 H ATOM 307 HZ1 LYS A 18 5.908 3.218 6.406 1.00 4.24 H ATOM 308 HZ2 LYS A 18 5.801 4.322 5.221 1.00 4.15 H ATOM 309 HZ3 LYS A 18 6.903 4.508 6.399 1.00 4.19 H ATOM 310 N ALA A 19 11.974 1.204 2.446 1.00 1.66 N ATOM 311 CA ALA A 19 12.689 0.234 3.270 1.00 2.22 C ATOM 312 C ALA A 19 14.143 0.112 2.832 1.00 2.97 C ATOM 313 O ALA A 19 14.895 -0.715 3.353 1.00 3.52 O ATOM 314 CB ALA A 19 12.005 -1.122 3.206 1.00 2.40 C ATOM 315 H ALA A 19 11.411 0.882 1.714 1.00 1.57 H ATOM 316 HA ALA A 19 12.660 0.579 4.292 1.00 2.48 H ATOM 317 HB1 ALA A 19 12.040 -1.496 2.194 1.00 2.69 H ATOM 318 HB2 ALA A 19 10.976 -1.020 3.516 1.00 2.74 H ATOM 319 HB3 ALA A 19 12.512 -1.813 3.863 1.00 2.70 H ATOM 320 N VAL A 20 14.528 0.925 1.864 1.00 3.41 N ATOM 321 CA VAL A 20 15.901 0.961 1.398 1.00 4.44 C ATOM 322 C VAL A 20 16.692 1.976 2.211 1.00 5.14 C ATOM 323 O VAL A 20 17.464 1.560 3.101 1.00 5.65 O ATOM 324 CB VAL A 20 15.981 1.321 -0.100 1.00 4.95 C ATOM 325 CG1 VAL A 20 17.423 1.314 -0.581 1.00 5.47 C ATOM 326 CG2 VAL A 20 15.135 0.364 -0.924 1.00 5.14 C ATOM 327 OXT VAL A 20 16.507 3.188 1.987 1.00 5.52 O ATOM 328 H VAL A 20 13.872 1.524 1.456 1.00 3.24 H ATOM 329 HA VAL A 20 16.331 -0.021 1.539 1.00 4.72 H ATOM 330 HB VAL A 20 15.588 2.318 -0.231 1.00 5.28 H ATOM 331 HG11 VAL A 20 17.452 1.544 -1.635 1.00 5.70 H ATOM 332 HG12 VAL A 20 17.851 0.337 -0.413 1.00 5.79 H ATOM 333 HG13 VAL A 20 17.989 2.053 -0.034 1.00 5.70 H ATOM 334 HG21 VAL A 20 15.184 0.648 -1.965 1.00 5.35 H ATOM 335 HG22 VAL A 20 14.110 0.409 -0.586 1.00 5.36 H ATOM 336 HG23 VAL A 20 15.511 -0.641 -0.806 1.00 5.32 H TER 337 VAL A 20 ENDMDL MODEL 3 ATOM 1 N LYS A 1 -5.937 6.694 0.782 1.00 1.55 N ATOM 2 CA LYS A 1 -6.602 5.404 0.495 1.00 1.01 C ATOM 3 C LYS A 1 -6.103 4.318 1.444 1.00 0.98 C ATOM 4 O LYS A 1 -4.909 4.008 1.486 1.00 1.92 O ATOM 5 CB LYS A 1 -6.375 4.998 -0.973 1.00 0.98 C ATOM 6 CG LYS A 1 -4.911 4.930 -1.392 1.00 0.89 C ATOM 7 CD LYS A 1 -4.768 4.569 -2.863 1.00 1.56 C ATOM 8 CE LYS A 1 -3.306 4.449 -3.273 1.00 2.04 C ATOM 9 NZ LYS A 1 -3.154 4.158 -4.724 1.00 2.60 N ATOM 10 H1 LYS A 1 -6.288 7.405 0.175 1.00 2.00 H ATOM 11 H2 LYS A 1 -4.952 6.612 0.647 1.00 1.96 H ATOM 12 H3 LYS A 1 -6.108 6.964 1.731 1.00 1.89 H ATOM 13 HA LYS A 1 -7.661 5.535 0.659 1.00 1.36 H ATOM 14 HB2 LYS A 1 -6.812 4.024 -1.132 1.00 1.48 H ATOM 15 HB3 LYS A 1 -6.874 5.712 -1.611 1.00 1.44 H ATOM 16 HG2 LYS A 1 -4.452 5.892 -1.220 1.00 1.25 H ATOM 17 HG3 LYS A 1 -4.412 4.180 -0.796 1.00 1.20 H ATOM 18 HD2 LYS A 1 -5.257 3.623 -3.040 1.00 2.12 H ATOM 19 HD3 LYS A 1 -5.239 5.337 -3.460 1.00 2.15 H ATOM 20 HE2 LYS A 1 -2.805 5.379 -3.048 1.00 2.47 H ATOM 21 HE3 LYS A 1 -2.853 3.652 -2.706 1.00 2.49 H ATOM 22 HZ1 LYS A 1 -3.641 3.315 -4.962 1.00 2.97 H ATOM 23 HZ2 LYS A 1 -2.188 4.047 -4.956 1.00 2.96 H ATOM 24 HZ3 LYS A 1 -3.529 4.909 -5.269 1.00 2.93 H ATOM 25 N ILE A 2 -7.022 3.764 2.226 1.00 0.89 N ATOM 26 CA ILE A 2 -6.696 2.701 3.167 1.00 1.07 C ATOM 27 C ILE A 2 -7.551 1.471 2.898 1.00 0.72 C ATOM 28 O ILE A 2 -7.025 0.396 2.562 1.00 0.78 O ATOM 29 CB ILE A 2 -6.899 3.153 4.633 1.00 1.69 C ATOM 30 CG1 ILE A 2 -5.875 4.224 5.009 1.00 2.06 C ATOM 31 CG2 ILE A 2 -6.801 1.970 5.590 1.00 2.45 C ATOM 32 CD1 ILE A 2 -4.441 3.742 4.939 1.00 2.60 C ATOM 33 H ILE A 2 -7.948 4.080 2.166 1.00 1.50 H ATOM 34 HA ILE A 2 -5.658 2.445 3.031 1.00 1.35 H ATOM 35 HB ILE A 2 -7.891 3.571 4.721 1.00 1.67 H ATOM 36 HG12 ILE A 2 -5.975 5.060 4.335 1.00 2.57 H ATOM 37 HG13 ILE A 2 -6.065 4.556 6.019 1.00 2.22 H ATOM 38 HG21 ILE A 2 -6.958 2.311 6.602 1.00 2.90 H ATOM 39 HG22 ILE A 2 -5.822 1.524 5.509 1.00 2.80 H ATOM 40 HG23 ILE A 2 -7.552 1.238 5.335 1.00 2.81 H ATOM 41 HD11 ILE A 2 -4.327 2.863 5.556 1.00 3.02 H ATOM 42 HD12 ILE A 2 -3.786 4.519 5.299 1.00 2.98 H ATOM 43 HD13 ILE A 2 -4.188 3.504 3.917 1.00 2.95 H ATOM 44 N LYS A 3 -8.870 1.663 3.015 1.00 0.49 N ATOM 45 CA LYS A 3 -9.855 0.590 2.862 1.00 0.34 C ATOM 46 C LYS A 3 -9.512 -0.300 1.681 1.00 0.24 C ATOM 47 O LYS A 3 -8.884 0.163 0.711 1.00 0.31 O ATOM 48 CB LYS A 3 -11.253 1.181 2.669 1.00 0.53 C ATOM 49 CG LYS A 3 -11.721 2.046 3.827 1.00 1.27 C ATOM 50 CD LYS A 3 -13.016 2.763 3.488 1.00 1.81 C ATOM 51 CE LYS A 3 -13.475 3.648 4.631 1.00 2.59 C ATOM 52 NZ LYS A 3 -14.659 4.464 4.259 1.00 3.26 N ATOM 53 H LYS A 3 -9.192 2.566 3.210 1.00 0.60 H ATOM 54 HA LYS A 3 -9.844 -0.004 3.763 1.00 0.43 H ATOM 55 HB2 LYS A 3 -11.254 1.785 1.774 1.00 1.18 H ATOM 56 HB3 LYS A 3 -11.958 0.372 2.546 1.00 0.99 H ATOM 57 HG2 LYS A 3 -11.884 1.419 4.690 1.00 1.75 H ATOM 58 HG3 LYS A 3 -10.961 2.780 4.050 1.00 1.91 H ATOM 59 HD2 LYS A 3 -12.860 3.374 2.612 1.00 2.21 H ATOM 60 HD3 LYS A 3 -13.781 2.027 3.284 1.00 2.20 H ATOM 61 HE2 LYS A 3 -13.732 3.023 5.472 1.00 3.04 H ATOM 62 HE3 LYS A 3 -12.666 4.307 4.907 1.00 2.97 H ATOM 63 HZ1 LYS A 3 -14.927 5.049 5.026 1.00 3.57 H ATOM 64 HZ2 LYS A 3 -15.429 3.873 4.025 1.00 3.65 H ATOM 65 HZ3 LYS A 3 -14.446 5.042 3.472 1.00 3.61 H ATOM 66 N ILE A 4 -9.898 -1.577 1.768 1.00 0.22 N ATOM 67 CA ILE A 4 -9.548 -2.539 0.735 1.00 0.21 C ATOM 68 C ILE A 4 -8.032 -2.771 0.774 1.00 0.14 C ATOM 69 O ILE A 4 -7.296 -2.026 1.431 1.00 0.13 O ATOM 70 CB ILE A 4 -10.003 -1.979 -0.648 1.00 0.30 C ATOM 71 CG1 ILE A 4 -11.531 -1.990 -0.742 1.00 0.60 C ATOM 72 CG2 ILE A 4 -9.384 -2.725 -1.823 1.00 0.25 C ATOM 73 CD1 ILE A 4 -12.073 -1.221 -1.926 1.00 0.77 C ATOM 74 H ILE A 4 -10.425 -1.869 2.540 1.00 0.28 H ATOM 75 HA ILE A 4 -10.065 -3.466 0.932 1.00 0.30 H ATOM 76 HB ILE A 4 -9.668 -0.955 -0.706 1.00 0.46 H ATOM 77 HG12 ILE A 4 -11.871 -3.011 -0.829 1.00 0.68 H ATOM 78 HG13 ILE A 4 -11.944 -1.554 0.156 1.00 0.74 H ATOM 79 HG21 ILE A 4 -9.787 -3.723 -1.870 1.00 1.06 H ATOM 80 HG22 ILE A 4 -8.308 -2.771 -1.689 1.00 1.06 H ATOM 81 HG23 ILE A 4 -9.605 -2.198 -2.740 1.00 1.05 H ATOM 82 HD11 ILE A 4 -11.781 -0.184 -1.847 1.00 1.29 H ATOM 83 HD12 ILE A 4 -13.150 -1.291 -1.938 1.00 1.31 H ATOM 84 HD13 ILE A 4 -11.676 -1.637 -2.840 1.00 1.30 H ATOM 85 N PRO A 5 -7.518 -3.836 0.159 1.00 0.18 N ATOM 86 CA PRO A 5 -6.104 -3.880 -0.178 1.00 0.19 C ATOM 87 C PRO A 5 -5.683 -2.719 -1.101 1.00 0.17 C ATOM 88 O PRO A 5 -5.032 -2.938 -2.117 1.00 0.32 O ATOM 89 CB PRO A 5 -5.943 -5.228 -0.882 1.00 0.31 C ATOM 90 CG PRO A 5 -7.057 -6.062 -0.352 1.00 0.46 C ATOM 91 CD PRO A 5 -8.201 -5.112 -0.140 1.00 0.29 C ATOM 92 HA PRO A 5 -5.497 -3.863 0.712 1.00 0.21 H ATOM 93 HB2 PRO A 5 -6.024 -5.090 -1.950 1.00 0.40 H ATOM 94 HB3 PRO A 5 -4.982 -5.651 -0.636 1.00 0.37 H ATOM 95 HG2 PRO A 5 -7.325 -6.820 -1.073 1.00 0.68 H ATOM 96 HG3 PRO A 5 -6.767 -6.514 0.584 1.00 0.67 H ATOM 97 HD2 PRO A 5 -8.792 -5.035 -1.036 1.00 0.31 H ATOM 98 HD3 PRO A 5 -8.810 -5.430 0.694 1.00 0.40 H ATOM 99 N TRP A 6 -6.067 -1.485 -0.751 1.00 0.14 N ATOM 100 CA TRP A 6 -5.541 -0.311 -1.416 1.00 0.22 C ATOM 101 C TRP A 6 -4.570 0.328 -0.475 1.00 0.24 C ATOM 102 O TRP A 6 -3.474 0.701 -0.859 1.00 0.35 O ATOM 103 CB TRP A 6 -6.629 0.691 -1.797 1.00 0.27 C ATOM 104 CG TRP A 6 -7.458 0.261 -2.960 1.00 0.31 C ATOM 105 CD1 TRP A 6 -8.815 0.203 -3.013 1.00 0.35 C ATOM 106 CD2 TRP A 6 -6.985 -0.174 -4.240 1.00 0.38 C ATOM 107 NE1 TRP A 6 -9.221 -0.251 -4.243 1.00 0.41 N ATOM 108 CE2 TRP A 6 -8.116 -0.486 -5.015 1.00 0.44 C ATOM 109 CE3 TRP A 6 -5.716 -0.332 -4.807 1.00 0.43 C ATOM 110 CZ2 TRP A 6 -8.018 -0.946 -6.321 1.00 0.53 C ATOM 111 CZ3 TRP A 6 -5.620 -0.789 -6.107 1.00 0.53 C ATOM 112 CH2 TRP A 6 -6.766 -1.091 -6.851 1.00 0.57 C ATOM 113 H TRP A 6 -6.705 -1.360 0.009 1.00 0.20 H ATOM 114 HA TRP A 6 -5.015 -0.634 -2.304 1.00 0.27 H ATOM 115 HB2 TRP A 6 -7.288 0.830 -0.954 1.00 0.25 H ATOM 116 HB3 TRP A 6 -6.166 1.635 -2.046 1.00 0.34 H ATOM 117 HD1 TRP A 6 -9.464 0.468 -2.192 1.00 0.35 H ATOM 118 HE1 TRP A 6 -10.153 -0.385 -4.523 1.00 0.46 H ATOM 119 HE3 TRP A 6 -4.821 -0.103 -4.248 1.00 0.41 H ATOM 120 HZ2 TRP A 6 -8.892 -1.185 -6.908 1.00 0.59 H ATOM 121 HZ3 TRP A 6 -4.650 -0.918 -6.563 1.00 0.58 H ATOM 122 HH2 TRP A 6 -6.645 -1.445 -7.865 1.00 0.66 H ATOM 123 N GLY A 7 -4.992 0.436 0.775 1.00 0.20 N ATOM 124 CA GLY A 7 -4.079 0.810 1.827 1.00 0.27 C ATOM 125 C GLY A 7 -3.048 -0.268 2.055 1.00 0.23 C ATOM 126 O GLY A 7 -1.885 0.022 2.333 1.00 0.31 O ATOM 127 H GLY A 7 -5.952 0.270 0.983 1.00 0.19 H ATOM 128 HA2 GLY A 7 -3.581 1.729 1.557 1.00 0.34 H ATOM 129 HA3 GLY A 7 -4.634 0.960 2.738 1.00 0.31 H ATOM 130 N LYS A 8 -3.477 -1.523 1.923 1.00 0.15 N ATOM 131 CA LYS A 8 -2.567 -2.654 2.086 1.00 0.18 C ATOM 132 C LYS A 8 -1.511 -2.650 0.986 1.00 0.16 C ATOM 133 O LYS A 8 -0.312 -2.716 1.263 1.00 0.22 O ATOM 134 CB LYS A 8 -3.333 -3.980 2.071 1.00 0.23 C ATOM 135 CG LYS A 8 -4.496 -4.032 3.054 1.00 1.19 C ATOM 136 CD LYS A 8 -4.036 -3.843 4.494 1.00 1.71 C ATOM 137 CE LYS A 8 -3.169 -4.996 4.970 1.00 2.35 C ATOM 138 NZ LYS A 8 -2.691 -4.794 6.362 1.00 2.94 N ATOM 139 H LYS A 8 -4.432 -1.691 1.720 1.00 0.14 H ATOM 140 HA LYS A 8 -2.074 -2.545 3.039 1.00 0.24 H ATOM 141 HB2 LYS A 8 -3.719 -4.145 1.077 1.00 0.89 H ATOM 142 HB3 LYS A 8 -2.648 -4.776 2.316 1.00 0.94 H ATOM 143 HG2 LYS A 8 -5.199 -3.250 2.807 1.00 1.93 H ATOM 144 HG3 LYS A 8 -4.982 -4.993 2.966 1.00 1.83 H ATOM 145 HD2 LYS A 8 -3.467 -2.929 4.561 1.00 2.15 H ATOM 146 HD3 LYS A 8 -4.906 -3.772 5.131 1.00 2.21 H ATOM 147 HE2 LYS A 8 -3.747 -5.906 4.926 1.00 2.75 H ATOM 148 HE3 LYS A 8 -2.315 -5.080 4.314 1.00 2.81 H ATOM 149 HZ1 LYS A 8 -2.148 -5.581 6.658 1.00 3.31 H ATOM 150 HZ2 LYS A 8 -3.467 -4.689 6.983 1.00 3.26 H ATOM 151 HZ3 LYS A 8 -2.125 -3.970 6.415 1.00 3.29 H ATOM 152 N VAL A 9 -1.959 -2.553 -0.263 1.00 0.13 N ATOM 153 CA VAL A 9 -1.041 -2.526 -1.394 1.00 0.16 C ATOM 154 C VAL A 9 -0.242 -1.227 -1.409 1.00 0.15 C ATOM 155 O VAL A 9 0.954 -1.241 -1.686 1.00 0.18 O ATOM 156 CB VAL A 9 -1.775 -2.716 -2.742 1.00 0.19 C ATOM 157 CG1 VAL A 9 -0.826 -2.529 -3.917 1.00 0.26 C ATOM 158 CG2 VAL A 9 -2.412 -4.096 -2.802 1.00 0.22 C ATOM 159 H VAL A 9 -2.923 -2.501 -0.428 1.00 0.13 H ATOM 160 HA VAL A 9 -0.351 -3.349 -1.270 1.00 0.20 H ATOM 161 HB VAL A 9 -2.558 -1.978 -2.814 1.00 0.19 H ATOM 162 HG11 VAL A 9 -0.024 -3.252 -3.852 1.00 1.05 H ATOM 163 HG12 VAL A 9 -0.413 -1.531 -3.893 1.00 1.04 H ATOM 164 HG13 VAL A 9 -1.364 -2.673 -4.843 1.00 1.05 H ATOM 165 HG21 VAL A 9 -2.909 -4.222 -3.752 1.00 1.03 H ATOM 166 HG22 VAL A 9 -3.133 -4.196 -2.004 1.00 1.06 H ATOM 167 HG23 VAL A 9 -1.648 -4.851 -2.693 1.00 1.04 H ATOM 168 N LYS A 10 -0.897 -0.110 -1.093 1.00 0.19 N ATOM 169 CA LYS A 10 -0.199 1.177 -0.992 1.00 0.26 C ATOM 170 C LYS A 10 0.993 1.064 -0.047 1.00 0.19 C ATOM 171 O LYS A 10 2.110 1.457 -0.391 1.00 0.18 O ATOM 172 CB LYS A 10 -1.133 2.275 -0.478 1.00 0.40 C ATOM 173 CG LYS A 10 -0.481 3.648 -0.409 1.00 0.53 C ATOM 174 CD LYS A 10 -1.291 4.614 0.441 1.00 1.08 C ATOM 175 CE LYS A 10 -1.298 4.194 1.903 1.00 1.79 C ATOM 176 NZ LYS A 10 -2.019 5.166 2.767 1.00 2.56 N ATOM 177 H LYS A 10 -1.877 -0.147 -0.942 1.00 0.20 H ATOM 178 HA LYS A 10 0.157 1.444 -1.976 1.00 0.32 H ATOM 179 HB2 LYS A 10 -1.987 2.338 -1.135 1.00 0.48 H ATOM 180 HB3 LYS A 10 -1.469 2.008 0.511 1.00 0.43 H ATOM 181 HG2 LYS A 10 0.503 3.546 0.022 1.00 1.00 H ATOM 182 HG3 LYS A 10 -0.398 4.047 -1.410 1.00 1.00 H ATOM 183 HD2 LYS A 10 -0.856 5.599 0.362 1.00 1.54 H ATOM 184 HD3 LYS A 10 -2.306 4.635 0.075 1.00 1.45 H ATOM 185 HE2 LYS A 10 -1.780 3.232 1.987 1.00 2.13 H ATOM 186 HE3 LYS A 10 -0.276 4.113 2.245 1.00 2.18 H ATOM 187 HZ1 LYS A 10 -1.984 4.869 3.723 1.00 2.94 H ATOM 188 HZ2 LYS A 10 -2.975 5.238 2.487 1.00 2.91 H ATOM 189 HZ3 LYS A 10 -1.596 6.068 2.694 1.00 2.98 H ATOM 190 N ASP A 11 0.737 0.522 1.141 1.00 0.21 N ATOM 191 CA ASP A 11 1.775 0.339 2.151 1.00 0.26 C ATOM 192 C ASP A 11 2.877 -0.578 1.638 1.00 0.19 C ATOM 193 O ASP A 11 4.061 -0.317 1.848 1.00 0.25 O ATOM 194 CB ASP A 11 1.172 -0.237 3.433 1.00 0.40 C ATOM 195 CG ASP A 11 2.219 -0.527 4.491 1.00 0.79 C ATOM 196 OD1 ASP A 11 2.668 -1.690 4.591 1.00 1.29 O ATOM 197 OD2 ASP A 11 2.610 0.412 5.215 1.00 0.82 O ATOM 198 H ASP A 11 -0.182 0.238 1.347 1.00 0.24 H ATOM 199 HA ASP A 11 2.200 1.308 2.367 1.00 0.33 H ATOM 200 HB2 ASP A 11 0.465 0.471 3.841 1.00 0.52 H ATOM 201 HB3 ASP A 11 0.658 -1.158 3.198 1.00 0.62 H ATOM 202 N PHE A 12 2.482 -1.646 0.958 1.00 0.17 N ATOM 203 CA PHE A 12 3.437 -2.579 0.371 1.00 0.23 C ATOM 204 C PHE A 12 4.317 -1.872 -0.656 1.00 0.20 C ATOM 205 O PHE A 12 5.531 -2.069 -0.690 1.00 0.31 O ATOM 206 CB PHE A 12 2.700 -3.751 -0.287 1.00 0.30 C ATOM 207 CG PHE A 12 3.610 -4.698 -1.020 1.00 0.44 C ATOM 208 CD1 PHE A 12 4.429 -5.573 -0.324 1.00 0.60 C ATOM 209 CD2 PHE A 12 3.637 -4.718 -2.405 1.00 0.49 C ATOM 210 CE1 PHE A 12 5.259 -6.449 -0.996 1.00 0.74 C ATOM 211 CE2 PHE A 12 4.466 -5.591 -3.082 1.00 0.64 C ATOM 212 CZ PHE A 12 5.303 -6.436 -2.373 1.00 0.75 C ATOM 213 H PHE A 12 1.520 -1.816 0.852 1.00 0.19 H ATOM 214 HA PHE A 12 4.062 -2.958 1.166 1.00 0.30 H ATOM 215 HB2 PHE A 12 2.180 -4.313 0.474 1.00 0.36 H ATOM 216 HB3 PHE A 12 1.982 -3.363 -0.994 1.00 0.27 H ATOM 217 HD1 PHE A 12 4.416 -5.566 0.755 1.00 0.66 H ATOM 218 HD2 PHE A 12 3.002 -4.040 -2.957 1.00 0.49 H ATOM 219 HE1 PHE A 12 5.892 -7.127 -0.443 1.00 0.89 H ATOM 220 HE2 PHE A 12 4.479 -5.597 -4.161 1.00 0.72 H ATOM 221 HZ PHE A 12 5.960 -7.112 -2.899 1.00 0.88 H ATOM 222 N LEU A 13 3.692 -1.046 -1.485 1.00 0.14 N ATOM 223 CA LEU A 13 4.399 -0.314 -2.525 1.00 0.21 C ATOM 224 C LEU A 13 5.379 0.689 -1.926 1.00 0.23 C ATOM 225 O LEU A 13 6.576 0.645 -2.213 1.00 0.33 O ATOM 226 CB LEU A 13 3.403 0.420 -3.427 1.00 0.28 C ATOM 227 CG LEU A 13 2.443 -0.473 -4.216 1.00 0.36 C ATOM 228 CD1 LEU A 13 1.493 0.374 -5.048 1.00 0.47 C ATOM 229 CD2 LEU A 13 3.209 -1.440 -5.106 1.00 0.46 C ATOM 230 H LEU A 13 2.718 -0.932 -1.397 1.00 0.15 H ATOM 231 HA LEU A 13 4.949 -1.027 -3.119 1.00 0.29 H ATOM 232 HB2 LEU A 13 2.814 1.080 -2.806 1.00 0.28 H ATOM 233 HB3 LEU A 13 3.961 1.020 -4.127 1.00 0.35 H ATOM 234 HG LEU A 13 1.851 -1.053 -3.523 1.00 0.32 H ATOM 235 HD11 LEU A 13 0.830 -0.272 -5.603 1.00 1.14 H ATOM 236 HD12 LEU A 13 2.060 0.985 -5.734 1.00 1.14 H ATOM 237 HD13 LEU A 13 0.913 1.009 -4.395 1.00 1.12 H ATOM 238 HD21 LEU A 13 3.833 -0.884 -5.789 1.00 1.13 H ATOM 239 HD22 LEU A 13 2.510 -2.043 -5.667 1.00 1.12 H ATOM 240 HD23 LEU A 13 3.827 -2.081 -4.494 1.00 1.13 H ATOM 241 N VAL A 14 4.866 1.583 -1.089 1.00 0.25 N ATOM 242 CA VAL A 14 5.675 2.643 -0.514 1.00 0.37 C ATOM 243 C VAL A 14 6.738 2.079 0.426 1.00 0.45 C ATOM 244 O VAL A 14 7.895 2.487 0.385 1.00 0.52 O ATOM 245 CB VAL A 14 4.798 3.683 0.213 1.00 0.53 C ATOM 246 CG1 VAL A 14 4.198 3.127 1.486 1.00 1.22 C ATOM 247 CG2 VAL A 14 5.584 4.950 0.485 1.00 1.19 C ATOM 248 H VAL A 14 3.915 1.529 -0.854 1.00 0.26 H ATOM 249 HA VAL A 14 6.171 3.143 -1.324 1.00 0.39 H ATOM 250 HB VAL A 14 3.984 3.930 -0.441 1.00 1.03 H ATOM 251 HG11 VAL A 14 4.993 2.833 2.153 1.00 1.77 H ATOM 252 HG12 VAL A 14 3.593 2.267 1.247 1.00 1.79 H ATOM 253 HG13 VAL A 14 3.588 3.881 1.958 1.00 1.76 H ATOM 254 HG21 VAL A 14 5.925 5.368 -0.450 1.00 1.76 H ATOM 255 HG22 VAL A 14 6.435 4.717 1.107 1.00 1.72 H ATOM 256 HG23 VAL A 14 4.953 5.663 0.990 1.00 1.78 H ATOM 257 N GLY A 15 6.339 1.125 1.247 1.00 0.54 N ATOM 258 CA GLY A 15 7.270 0.481 2.151 1.00 0.72 C ATOM 259 C GLY A 15 8.333 -0.302 1.411 1.00 0.76 C ATOM 260 O GLY A 15 9.517 -0.231 1.748 1.00 0.91 O ATOM 261 H GLY A 15 5.389 0.872 1.251 1.00 0.53 H ATOM 262 HA2 GLY A 15 7.749 1.236 2.758 1.00 0.78 H ATOM 263 HA3 GLY A 15 6.725 -0.192 2.796 1.00 0.85 H ATOM 264 N GLY A 16 7.912 -1.033 0.388 1.00 0.74 N ATOM 265 CA GLY A 16 8.837 -1.829 -0.389 1.00 0.92 C ATOM 266 C GLY A 16 9.841 -0.983 -1.140 1.00 0.95 C ATOM 267 O GLY A 16 11.033 -1.278 -1.137 1.00 1.20 O ATOM 268 H GLY A 16 6.958 -1.034 0.157 1.00 0.67 H ATOM 269 HA2 GLY A 16 9.369 -2.493 0.275 1.00 1.10 H ATOM 270 HA3 GLY A 16 8.277 -2.420 -1.099 1.00 0.95 H ATOM 271 N MET A 17 9.365 0.089 -1.764 1.00 0.82 N ATOM 272 CA MET A 17 10.230 0.962 -2.554 1.00 0.98 C ATOM 273 C MET A 17 11.214 1.713 -1.660 1.00 1.04 C ATOM 274 O MET A 17 12.212 2.252 -2.138 1.00 1.22 O ATOM 275 CB MET A 17 9.396 1.954 -3.373 1.00 1.03 C ATOM 276 CG MET A 17 8.738 3.044 -2.540 1.00 1.22 C ATOM 277 SD MET A 17 7.539 4.019 -3.472 1.00 1.89 S ATOM 278 CE MET A 17 8.562 4.643 -4.805 1.00 2.61 C ATOM 279 H MET A 17 8.406 0.293 -1.701 1.00 0.72 H ATOM 280 HA MET A 17 10.792 0.337 -3.232 1.00 1.18 H ATOM 281 HB2 MET A 17 10.037 2.427 -4.100 1.00 1.50 H ATOM 282 HB3 MET A 17 8.620 1.410 -3.890 1.00 1.56 H ATOM 283 HG2 MET A 17 8.233 2.582 -1.705 1.00 1.64 H ATOM 284 HG3 MET A 17 9.508 3.706 -2.169 1.00 1.77 H ATOM 285 HE1 MET A 17 9.382 5.213 -4.393 1.00 3.04 H ATOM 286 HE2 MET A 17 7.968 5.277 -5.445 1.00 3.03 H ATOM 287 HE3 MET A 17 8.950 3.816 -5.380 1.00 3.03 H ATOM 288 N LYS A 18 10.930 1.749 -0.361 1.00 1.04 N ATOM 289 CA LYS A 18 11.830 2.382 0.595 1.00 1.24 C ATOM 290 C LYS A 18 12.681 1.331 1.304 1.00 1.56 C ATOM 291 O LYS A 18 13.488 1.654 2.178 1.00 2.01 O ATOM 292 CB LYS A 18 11.047 3.202 1.628 1.00 1.56 C ATOM 293 CG LYS A 18 10.216 4.331 1.032 1.00 2.04 C ATOM 294 CD LYS A 18 11.067 5.303 0.228 1.00 2.67 C ATOM 295 CE LYS A 18 10.239 6.457 -0.316 1.00 3.27 C ATOM 296 NZ LYS A 18 9.702 7.322 0.769 1.00 3.89 N ATOM 297 H LYS A 18 10.096 1.340 -0.040 1.00 1.02 H ATOM 298 HA LYS A 18 12.483 3.043 0.045 1.00 1.33 H ATOM 299 HB2 LYS A 18 10.380 2.540 2.161 1.00 2.01 H ATOM 300 HB3 LYS A 18 11.745 3.633 2.332 1.00 1.88 H ATOM 301 HG2 LYS A 18 9.467 3.906 0.381 1.00 2.29 H ATOM 302 HG3 LYS A 18 9.733 4.869 1.834 1.00 2.48 H ATOM 303 HD2 LYS A 18 11.841 5.700 0.866 1.00 3.05 H ATOM 304 HD3 LYS A 18 11.518 4.774 -0.599 1.00 3.02 H ATOM 305 HE2 LYS A 18 10.860 7.054 -0.965 1.00 3.60 H ATOM 306 HE3 LYS A 18 9.413 6.052 -0.884 1.00 3.59 H ATOM 307 HZ1 LYS A 18 9.147 8.058 0.378 1.00 4.24 H ATOM 308 HZ2 LYS A 18 10.452 7.732 1.289 1.00 4.15 H ATOM 309 HZ3 LYS A 18 9.135 6.785 1.394 1.00 4.19 H ATOM 310 N ALA A 19 12.490 0.072 0.929 1.00 1.66 N ATOM 311 CA ALA A 19 13.249 -1.025 1.512 1.00 2.22 C ATOM 312 C ALA A 19 14.187 -1.653 0.487 1.00 2.97 C ATOM 313 O ALA A 19 14.859 -2.647 0.771 1.00 3.52 O ATOM 314 CB ALA A 19 12.307 -2.074 2.079 1.00 2.40 C ATOM 315 H ALA A 19 11.810 -0.128 0.248 1.00 1.57 H ATOM 316 HA ALA A 19 13.837 -0.626 2.325 1.00 2.48 H ATOM 317 HB1 ALA A 19 11.646 -1.614 2.797 1.00 2.69 H ATOM 318 HB2 ALA A 19 12.881 -2.849 2.562 1.00 2.74 H ATOM 319 HB3 ALA A 19 11.725 -2.503 1.277 1.00 2.70 H ATOM 320 N VAL A 20 14.222 -1.073 -0.706 1.00 3.41 N ATOM 321 CA VAL A 20 15.094 -1.560 -1.766 1.00 4.44 C ATOM 322 C VAL A 20 16.237 -0.582 -1.988 1.00 5.14 C ATOM 323 O VAL A 20 16.024 0.443 -2.673 1.00 5.65 O ATOM 324 CB VAL A 20 14.335 -1.779 -3.096 1.00 4.95 C ATOM 325 CG1 VAL A 20 15.273 -2.306 -4.174 1.00 5.47 C ATOM 326 CG2 VAL A 20 13.170 -2.734 -2.899 1.00 5.14 C ATOM 327 OXT VAL A 20 17.339 -0.826 -1.458 1.00 5.52 O ATOM 328 H VAL A 20 13.658 -0.293 -0.874 1.00 3.24 H ATOM 329 HA VAL A 20 15.504 -2.509 -1.448 1.00 4.72 H ATOM 330 HB VAL A 20 13.942 -0.828 -3.426 1.00 5.28 H ATOM 331 HG11 VAL A 20 14.728 -2.433 -5.096 1.00 5.70 H ATOM 332 HG12 VAL A 20 15.678 -3.257 -3.863 1.00 5.79 H ATOM 333 HG13 VAL A 20 16.078 -1.605 -4.325 1.00 5.70 H ATOM 334 HG21 VAL A 20 12.636 -2.851 -3.831 1.00 5.35 H ATOM 335 HG22 VAL A 20 12.502 -2.338 -2.149 1.00 5.36 H ATOM 336 HG23 VAL A 20 13.544 -3.694 -2.577 1.00 5.32 H TER 337 VAL A 20 ENDMDL MODEL 4 ATOM 1 N LYS A 1 -5.782 6.411 0.047 1.00 1.55 N ATOM 2 CA LYS A 1 -6.548 5.146 0.002 1.00 1.01 C ATOM 3 C LYS A 1 -6.078 4.198 1.100 1.00 0.98 C ATOM 4 O LYS A 1 -4.886 3.905 1.211 1.00 1.92 O ATOM 5 CB LYS A 1 -6.429 4.466 -1.376 1.00 0.98 C ATOM 6 CG LYS A 1 -5.002 4.190 -1.847 1.00 0.89 C ATOM 7 CD LYS A 1 -4.399 5.388 -2.567 1.00 1.56 C ATOM 8 CE LYS A 1 -2.993 5.094 -3.074 1.00 2.04 C ATOM 9 NZ LYS A 1 -2.984 4.029 -4.112 1.00 2.60 N ATOM 10 H1 LYS A 1 -6.050 7.004 -0.709 1.00 2.00 H ATOM 11 H2 LYS A 1 -4.804 6.226 -0.016 1.00 1.96 H ATOM 12 H3 LYS A 1 -5.961 6.887 0.910 1.00 1.89 H ATOM 13 HA LYS A 1 -7.586 5.384 0.184 1.00 1.36 H ATOM 14 HB2 LYS A 1 -6.953 3.525 -1.338 1.00 1.48 H ATOM 15 HB3 LYS A 1 -6.907 5.096 -2.111 1.00 1.44 H ATOM 16 HG2 LYS A 1 -4.389 3.957 -0.988 1.00 1.25 H ATOM 17 HG3 LYS A 1 -5.014 3.346 -2.521 1.00 1.20 H ATOM 18 HD2 LYS A 1 -5.026 5.641 -3.409 1.00 2.12 H ATOM 19 HD3 LYS A 1 -4.360 6.224 -1.885 1.00 2.15 H ATOM 20 HE2 LYS A 1 -2.582 5.997 -3.497 1.00 2.47 H ATOM 21 HE3 LYS A 1 -2.383 4.778 -2.241 1.00 2.49 H ATOM 22 HZ1 LYS A 1 -3.538 4.308 -4.896 1.00 2.97 H ATOM 23 HZ2 LYS A 1 -3.354 3.180 -3.744 1.00 2.96 H ATOM 24 HZ3 LYS A 1 -2.048 3.859 -4.424 1.00 2.93 H ATOM 25 N ILE A 2 -7.017 3.739 1.923 1.00 0.89 N ATOM 26 CA ILE A 2 -6.707 2.808 3.000 1.00 1.07 C ATOM 27 C ILE A 2 -7.527 1.528 2.841 1.00 0.72 C ATOM 28 O ILE A 2 -6.974 0.447 2.572 1.00 0.78 O ATOM 29 CB ILE A 2 -6.975 3.410 4.407 1.00 1.69 C ATOM 30 CG1 ILE A 2 -6.082 4.627 4.679 1.00 2.06 C ATOM 31 CG2 ILE A 2 -6.758 2.360 5.488 1.00 2.45 C ATOM 32 CD1 ILE A 2 -6.589 5.918 4.072 1.00 2.60 C ATOM 33 H ILE A 2 -7.946 4.031 1.798 1.00 1.50 H ATOM 34 HA ILE A 2 -5.659 2.562 2.932 1.00 1.35 H ATOM 35 HB ILE A 2 -8.011 3.718 4.448 1.00 1.67 H ATOM 36 HG12 ILE A 2 -6.004 4.776 5.745 1.00 2.57 H ATOM 37 HG13 ILE A 2 -5.098 4.436 4.276 1.00 2.22 H ATOM 38 HG21 ILE A 2 -5.736 2.012 5.449 1.00 2.90 H ATOM 39 HG22 ILE A 2 -7.427 1.528 5.322 1.00 2.80 H ATOM 40 HG23 ILE A 2 -6.954 2.792 6.458 1.00 2.81 H ATOM 41 HD11 ILE A 2 -7.567 6.143 4.470 1.00 3.02 H ATOM 42 HD12 ILE A 2 -6.652 5.809 2.999 1.00 2.98 H ATOM 43 HD13 ILE A 2 -5.908 6.721 4.314 1.00 2.95 H ATOM 44 N LYS A 3 -8.852 1.677 2.967 1.00 0.49 N ATOM 45 CA LYS A 3 -9.792 0.553 2.896 1.00 0.34 C ATOM 46 C LYS A 3 -9.461 -0.354 1.724 1.00 0.24 C ATOM 47 O LYS A 3 -8.870 0.103 0.729 1.00 0.31 O ATOM 48 CB LYS A 3 -11.226 1.060 2.741 1.00 0.53 C ATOM 49 CG LYS A 3 -11.655 2.046 3.811 1.00 1.27 C ATOM 50 CD LYS A 3 -13.070 2.537 3.566 1.00 1.81 C ATOM 51 CE LYS A 3 -13.428 3.685 4.491 1.00 2.59 C ATOM 52 NZ LYS A 3 -12.521 4.847 4.302 1.00 3.26 N ATOM 53 H LYS A 3 -9.210 2.578 3.109 1.00 0.60 H ATOM 54 HA LYS A 3 -9.712 -0.010 3.813 1.00 0.43 H ATOM 55 HB2 LYS A 3 -11.323 1.543 1.780 1.00 1.18 H ATOM 56 HB3 LYS A 3 -11.898 0.214 2.774 1.00 0.99 H ATOM 57 HG2 LYS A 3 -11.616 1.559 4.773 1.00 1.75 H ATOM 58 HG3 LYS A 3 -10.983 2.890 3.803 1.00 1.91 H ATOM 59 HD2 LYS A 3 -13.153 2.872 2.543 1.00 2.21 H ATOM 60 HD3 LYS A 3 -13.758 1.721 3.735 1.00 2.20 H ATOM 61 HE2 LYS A 3 -14.443 3.994 4.286 1.00 3.04 H ATOM 62 HE3 LYS A 3 -13.356 3.343 5.512 1.00 2.97 H ATOM 63 HZ1 LYS A 3 -11.575 4.581 4.493 1.00 3.57 H ATOM 64 HZ2 LYS A 3 -12.777 5.586 4.924 1.00 3.65 H ATOM 65 HZ3 LYS A 3 -12.581 5.182 3.362 1.00 3.61 H ATOM 66 N ILE A 4 -9.824 -1.635 1.843 1.00 0.22 N ATOM 67 CA ILE A 4 -9.494 -2.605 0.813 1.00 0.21 C ATOM 68 C ILE A 4 -7.971 -2.789 0.786 1.00 0.14 C ATOM 69 O ILE A 4 -7.235 -2.042 1.443 1.00 0.13 O ATOM 70 CB ILE A 4 -10.048 -2.091 -0.555 1.00 0.30 C ATOM 71 CG1 ILE A 4 -11.565 -2.298 -0.612 1.00 0.60 C ATOM 72 CG2 ILE A 4 -9.368 -2.727 -1.761 1.00 0.25 C ATOM 73 CD1 ILE A 4 -12.215 -1.700 -1.839 1.00 0.77 C ATOM 74 H ILE A 4 -10.317 -1.926 2.637 1.00 0.28 H ATOM 75 HA ILE A 4 -9.969 -3.543 1.057 1.00 0.30 H ATOM 76 HB ILE A 4 -9.853 -1.030 -0.601 1.00 0.46 H ATOM 77 HG12 ILE A 4 -11.776 -3.356 -0.610 1.00 0.68 H ATOM 78 HG13 ILE A 4 -12.017 -1.844 0.259 1.00 0.74 H ATOM 79 HG21 ILE A 4 -9.720 -3.736 -1.883 1.00 1.06 H ATOM 80 HG22 ILE A 4 -8.293 -2.733 -1.604 1.00 1.06 H ATOM 81 HG23 ILE A 4 -9.596 -2.153 -2.648 1.00 1.05 H ATOM 82 HD11 ILE A 4 -13.279 -1.880 -1.806 1.00 1.29 H ATOM 83 HD12 ILE A 4 -11.801 -2.158 -2.724 1.00 1.31 H ATOM 84 HD13 ILE A 4 -12.030 -0.637 -1.863 1.00 1.30 H ATOM 85 N PRO A 5 -7.449 -3.825 0.128 1.00 0.18 N ATOM 86 CA PRO A 5 -6.052 -3.820 -0.276 1.00 0.19 C ATOM 87 C PRO A 5 -5.690 -2.610 -1.158 1.00 0.17 C ATOM 88 O PRO A 5 -5.034 -2.764 -2.182 1.00 0.32 O ATOM 89 CB PRO A 5 -5.895 -5.118 -1.064 1.00 0.31 C ATOM 90 CG PRO A 5 -6.974 -6.012 -0.562 1.00 0.46 C ATOM 91 CD PRO A 5 -8.111 -5.116 -0.156 1.00 0.29 C ATOM 92 HA PRO A 5 -5.402 -3.839 0.582 1.00 0.21 H ATOM 93 HB2 PRO A 5 -6.007 -4.916 -2.120 1.00 0.40 H ATOM 94 HB3 PRO A 5 -4.917 -5.533 -0.873 1.00 0.37 H ATOM 95 HG2 PRO A 5 -7.289 -6.681 -1.348 1.00 0.68 H ATOM 96 HG3 PRO A 5 -6.618 -6.574 0.288 1.00 0.67 H ATOM 97 HD2 PRO A 5 -8.816 -5.020 -0.963 1.00 0.31 H ATOM 98 HD3 PRO A 5 -8.598 -5.501 0.728 1.00 0.40 H ATOM 99 N TRP A 6 -6.118 -1.407 -0.764 1.00 0.14 N ATOM 100 CA TRP A 6 -5.657 -0.201 -1.409 1.00 0.22 C ATOM 101 C TRP A 6 -4.624 0.399 -0.510 1.00 0.24 C ATOM 102 O TRP A 6 -3.525 0.720 -0.936 1.00 0.35 O ATOM 103 CB TRP A 6 -6.779 0.807 -1.645 1.00 0.27 C ATOM 104 CG TRP A 6 -7.698 0.444 -2.762 1.00 0.31 C ATOM 105 CD1 TRP A 6 -9.056 0.384 -2.709 1.00 0.35 C ATOM 106 CD2 TRP A 6 -7.328 0.093 -4.099 1.00 0.38 C ATOM 107 NE1 TRP A 6 -9.558 0.011 -3.929 1.00 0.41 N ATOM 108 CE2 TRP A 6 -8.517 -0.172 -4.801 1.00 0.44 C ATOM 109 CE3 TRP A 6 -6.107 -0.022 -4.773 1.00 0.43 C ATOM 110 CZ2 TRP A 6 -8.523 -0.547 -6.140 1.00 0.53 C ATOM 111 CZ3 TRP A 6 -6.113 -0.394 -6.102 1.00 0.53 C ATOM 112 CH2 TRP A 6 -7.315 -0.652 -6.773 1.00 0.57 C ATOM 113 H TRP A 6 -6.733 -1.328 0.020 1.00 0.20 H ATOM 114 HA TRP A 6 -5.201 -0.471 -2.350 1.00 0.27 H ATOM 115 HB2 TRP A 6 -7.369 0.895 -0.746 1.00 0.25 H ATOM 116 HB3 TRP A 6 -6.342 1.767 -1.875 1.00 0.34 H ATOM 117 HD1 TRP A 6 -9.638 0.595 -1.825 1.00 0.35 H ATOM 118 HE1 TRP A 6 -10.510 -0.104 -4.143 1.00 0.46 H ATOM 119 HE3 TRP A 6 -5.172 0.174 -4.271 1.00 0.41 H ATOM 120 HZ2 TRP A 6 -9.440 -0.751 -6.671 1.00 0.59 H ATOM 121 HZ3 TRP A 6 -5.179 -0.489 -6.638 1.00 0.58 H ATOM 122 HH2 TRP A 6 -7.275 -0.940 -7.812 1.00 0.66 H ATOM 123 N GLY A 7 -4.994 0.511 0.755 1.00 0.20 N ATOM 124 CA GLY A 7 -4.044 0.895 1.769 1.00 0.27 C ATOM 125 C GLY A 7 -3.017 -0.186 1.998 1.00 0.23 C ATOM 126 O GLY A 7 -1.848 0.104 2.240 1.00 0.31 O ATOM 127 H GLY A 7 -5.943 0.337 1.004 1.00 0.19 H ATOM 128 HA2 GLY A 7 -3.543 1.801 1.462 1.00 0.34 H ATOM 129 HA3 GLY A 7 -4.569 1.075 2.693 1.00 0.31 H ATOM 130 N LYS A 8 -3.447 -1.444 1.898 1.00 0.15 N ATOM 131 CA LYS A 8 -2.541 -2.561 2.129 1.00 0.18 C ATOM 132 C LYS A 8 -1.527 -2.678 0.995 1.00 0.16 C ATOM 133 O LYS A 8 -0.328 -2.821 1.238 1.00 0.22 O ATOM 134 CB LYS A 8 -3.317 -3.870 2.297 1.00 0.23 C ATOM 135 CG LYS A 8 -4.411 -3.800 3.357 1.00 1.19 C ATOM 136 CD LYS A 8 -3.885 -3.290 4.695 1.00 1.71 C ATOM 137 CE LYS A 8 -2.905 -4.260 5.339 1.00 2.35 C ATOM 138 NZ LYS A 8 -3.574 -5.503 5.800 1.00 2.94 N ATOM 139 H LYS A 8 -4.395 -1.621 1.669 1.00 0.14 H ATOM 140 HA LYS A 8 -2.004 -2.357 3.044 1.00 0.24 H ATOM 141 HB2 LYS A 8 -3.773 -4.127 1.354 1.00 0.89 H ATOM 142 HB3 LYS A 8 -2.627 -4.650 2.576 1.00 0.94 H ATOM 143 HG2 LYS A 8 -5.187 -3.135 3.011 1.00 1.93 H ATOM 144 HG3 LYS A 8 -4.822 -4.789 3.497 1.00 1.83 H ATOM 145 HD2 LYS A 8 -3.385 -2.347 4.536 1.00 2.15 H ATOM 146 HD3 LYS A 8 -4.721 -3.142 5.364 1.00 2.21 H ATOM 147 HE2 LYS A 8 -2.147 -4.518 4.617 1.00 2.75 H ATOM 148 HE3 LYS A 8 -2.443 -3.775 6.186 1.00 2.81 H ATOM 149 HZ1 LYS A 8 -4.298 -5.282 6.456 1.00 3.31 H ATOM 150 HZ2 LYS A 8 -2.913 -6.107 6.244 1.00 3.26 H ATOM 151 HZ3 LYS A 8 -3.978 -5.988 5.024 1.00 3.29 H ATOM 152 N VAL A 9 -2.001 -2.600 -0.246 1.00 0.13 N ATOM 153 CA VAL A 9 -1.103 -2.630 -1.393 1.00 0.16 C ATOM 154 C VAL A 9 -0.267 -1.355 -1.441 1.00 0.15 C ATOM 155 O VAL A 9 0.923 -1.400 -1.743 1.00 0.18 O ATOM 156 CB VAL A 9 -1.869 -2.826 -2.722 1.00 0.19 C ATOM 157 CG1 VAL A 9 -0.953 -2.623 -3.922 1.00 0.26 C ATOM 158 CG2 VAL A 9 -2.487 -4.217 -2.768 1.00 0.22 C ATOM 159 H VAL A 9 -2.967 -2.520 -0.392 1.00 0.13 H ATOM 160 HA VAL A 9 -0.436 -3.472 -1.261 1.00 0.20 H ATOM 161 HB VAL A 9 -2.665 -2.099 -2.771 1.00 0.19 H ATOM 162 HG11 VAL A 9 -0.157 -3.351 -3.897 1.00 1.05 H ATOM 163 HG12 VAL A 9 -0.531 -1.629 -3.889 1.00 1.04 H ATOM 164 HG13 VAL A 9 -1.521 -2.743 -4.833 1.00 1.05 H ATOM 165 HG21 VAL A 9 -3.014 -4.345 -3.701 1.00 1.03 H ATOM 166 HG22 VAL A 9 -3.177 -4.331 -1.944 1.00 1.06 H ATOM 167 HG23 VAL A 9 -1.707 -4.959 -2.689 1.00 1.04 H ATOM 168 N LYS A 10 -0.887 -0.222 -1.116 1.00 0.19 N ATOM 169 CA LYS A 10 -0.164 1.048 -1.037 1.00 0.26 C ATOM 170 C LYS A 10 1.010 0.942 -0.073 1.00 0.19 C ATOM 171 O LYS A 10 2.129 1.323 -0.401 1.00 0.18 O ATOM 172 CB LYS A 10 -1.087 2.172 -0.567 1.00 0.40 C ATOM 173 CG LYS A 10 -0.393 3.517 -0.417 1.00 0.53 C ATOM 174 CD LYS A 10 -1.259 4.507 0.343 1.00 1.08 C ATOM 175 CE LYS A 10 -1.401 4.123 1.811 1.00 1.79 C ATOM 176 NZ LYS A 10 -0.105 4.197 2.537 1.00 2.56 N ATOM 177 H LYS A 10 -1.861 -0.239 -0.940 1.00 0.20 H ATOM 178 HA LYS A 10 0.208 1.283 -2.022 1.00 0.32 H ATOM 179 HB2 LYS A 10 -1.889 2.285 -1.282 1.00 0.48 H ATOM 180 HB3 LYS A 10 -1.506 1.899 0.388 1.00 0.43 H ATOM 181 HG2 LYS A 10 0.533 3.374 0.121 1.00 1.00 H ATOM 182 HG3 LYS A 10 -0.184 3.914 -1.399 1.00 1.00 H ATOM 183 HD2 LYS A 10 -0.807 5.486 0.281 1.00 1.54 H ATOM 184 HD3 LYS A 10 -2.241 4.531 -0.109 1.00 1.45 H ATOM 185 HE2 LYS A 10 -2.102 4.797 2.277 1.00 2.13 H ATOM 186 HE3 LYS A 10 -1.780 3.115 1.871 1.00 2.18 H ATOM 187 HZ1 LYS A 10 -0.231 3.923 3.491 1.00 2.94 H ATOM 188 HZ2 LYS A 10 0.249 5.129 2.516 1.00 2.91 H ATOM 189 HZ3 LYS A 10 0.568 3.589 2.113 1.00 2.98 H ATOM 190 N ASP A 11 0.746 0.418 1.117 1.00 0.21 N ATOM 191 CA ASP A 11 1.770 0.304 2.149 1.00 0.26 C ATOM 192 C ASP A 11 2.861 -0.668 1.713 1.00 0.19 C ATOM 193 O ASP A 11 4.031 -0.503 2.059 1.00 0.25 O ATOM 194 CB ASP A 11 1.148 -0.155 3.470 1.00 0.40 C ATOM 195 CG ASP A 11 2.116 -0.071 4.631 1.00 0.79 C ATOM 196 OD1 ASP A 11 2.679 -1.116 5.023 1.00 1.29 O ATOM 197 OD2 ASP A 11 2.309 1.040 5.169 1.00 0.82 O ATOM 198 H ASP A 11 -0.164 0.098 1.309 1.00 0.24 H ATOM 199 HA ASP A 11 2.210 1.281 2.284 1.00 0.33 H ATOM 200 HB2 ASP A 11 0.294 0.467 3.693 1.00 0.52 H ATOM 201 HB3 ASP A 11 0.822 -1.180 3.370 1.00 0.62 H ATOM 202 N PHE A 12 2.470 -1.673 0.941 1.00 0.17 N ATOM 203 CA PHE A 12 3.421 -2.621 0.379 1.00 0.23 C ATOM 204 C PHE A 12 4.327 -1.928 -0.637 1.00 0.20 C ATOM 205 O PHE A 12 5.525 -2.203 -0.707 1.00 0.31 O ATOM 206 CB PHE A 12 2.680 -3.788 -0.281 1.00 0.30 C ATOM 207 CG PHE A 12 3.590 -4.805 -0.915 1.00 0.44 C ATOM 208 CD1 PHE A 12 4.323 -5.680 -0.133 1.00 0.60 C ATOM 209 CD2 PHE A 12 3.705 -4.884 -2.294 1.00 0.49 C ATOM 210 CE1 PHE A 12 5.158 -6.616 -0.714 1.00 0.74 C ATOM 211 CE2 PHE A 12 4.537 -5.819 -2.880 1.00 0.64 C ATOM 212 CZ PHE A 12 5.265 -6.686 -2.088 1.00 0.75 C ATOM 213 H PHE A 12 1.514 -1.784 0.749 1.00 0.19 H ATOM 214 HA PHE A 12 4.028 -3.001 1.186 1.00 0.30 H ATOM 215 HB2 PHE A 12 2.088 -4.296 0.466 1.00 0.36 H ATOM 216 HB3 PHE A 12 2.027 -3.400 -1.048 1.00 0.27 H ATOM 217 HD1 PHE A 12 4.241 -5.627 0.942 1.00 0.66 H ATOM 218 HD2 PHE A 12 3.137 -4.207 -2.914 1.00 0.49 H ATOM 219 HE1 PHE A 12 5.727 -7.292 -0.093 1.00 0.89 H ATOM 220 HE2 PHE A 12 4.619 -5.872 -3.955 1.00 0.72 H ATOM 221 HZ PHE A 12 5.916 -7.416 -2.542 1.00 0.88 H ATOM 222 N LEU A 13 3.742 -1.023 -1.413 1.00 0.14 N ATOM 223 CA LEU A 13 4.477 -0.291 -2.435 1.00 0.21 C ATOM 224 C LEU A 13 5.323 0.815 -1.813 1.00 0.23 C ATOM 225 O LEU A 13 6.553 0.787 -1.888 1.00 0.33 O ATOM 226 CB LEU A 13 3.509 0.318 -3.456 1.00 0.28 C ATOM 227 CG LEU A 13 2.602 -0.681 -4.177 1.00 0.36 C ATOM 228 CD1 LEU A 13 1.645 0.045 -5.111 1.00 0.47 C ATOM 229 CD2 LEU A 13 3.432 -1.696 -4.947 1.00 0.46 C ATOM 230 H LEU A 13 2.781 -0.848 -1.299 1.00 0.15 H ATOM 231 HA LEU A 13 5.129 -0.986 -2.940 1.00 0.29 H ATOM 232 HB2 LEU A 13 2.883 1.033 -2.943 1.00 0.28 H ATOM 233 HB3 LEU A 13 4.088 0.843 -4.200 1.00 0.35 H ATOM 234 HG LEU A 13 2.012 -1.215 -3.446 1.00 0.32 H ATOM 235 HD11 LEU A 13 0.997 -0.672 -5.592 1.00 1.14 H ATOM 236 HD12 LEU A 13 2.211 0.579 -5.861 1.00 1.14 H ATOM 237 HD13 LEU A 13 1.049 0.745 -4.544 1.00 1.12 H ATOM 238 HD21 LEU A 13 2.776 -2.377 -5.466 1.00 1.13 H ATOM 239 HD22 LEU A 13 4.054 -2.248 -4.260 1.00 1.12 H ATOM 240 HD23 LEU A 13 4.055 -1.182 -5.664 1.00 1.13 H ATOM 241 N VAL A 14 4.656 1.777 -1.189 1.00 0.25 N ATOM 242 CA VAL A 14 5.319 2.942 -0.627 1.00 0.37 C ATOM 243 C VAL A 14 6.248 2.540 0.511 1.00 0.45 C ATOM 244 O VAL A 14 7.453 2.786 0.455 1.00 0.52 O ATOM 245 CB VAL A 14 4.295 3.966 -0.104 1.00 0.53 C ATOM 246 CG1 VAL A 14 4.991 5.241 0.334 1.00 1.22 C ATOM 247 CG2 VAL A 14 3.239 4.261 -1.155 1.00 1.19 C ATOM 248 H VAL A 14 3.681 1.698 -1.092 1.00 0.26 H ATOM 249 HA VAL A 14 5.901 3.408 -1.410 1.00 0.39 H ATOM 250 HB VAL A 14 3.804 3.540 0.757 1.00 1.03 H ATOM 251 HG11 VAL A 14 5.688 5.015 1.126 1.00 1.77 H ATOM 252 HG12 VAL A 14 4.257 5.946 0.689 1.00 1.79 H ATOM 253 HG13 VAL A 14 5.524 5.663 -0.505 1.00 1.76 H ATOM 254 HG21 VAL A 14 2.555 5.007 -0.778 1.00 1.76 H ATOM 255 HG22 VAL A 14 2.693 3.355 -1.379 1.00 1.72 H ATOM 256 HG23 VAL A 14 3.714 4.628 -2.053 1.00 1.78 H ATOM 257 N GLY A 15 5.681 1.907 1.532 1.00 0.54 N ATOM 258 CA GLY A 15 6.472 1.450 2.657 1.00 0.72 C ATOM 259 C GLY A 15 7.556 0.483 2.230 1.00 0.76 C ATOM 260 O GLY A 15 8.631 0.443 2.819 1.00 0.91 O ATOM 261 H GLY A 15 4.712 1.750 1.523 1.00 0.53 H ATOM 262 HA2 GLY A 15 6.931 2.303 3.135 1.00 0.78 H ATOM 263 HA3 GLY A 15 5.823 0.958 3.367 1.00 0.85 H ATOM 264 N GLY A 16 7.274 -0.281 1.183 1.00 0.74 N ATOM 265 CA GLY A 16 8.235 -1.241 0.683 1.00 0.92 C ATOM 266 C GLY A 16 9.450 -0.584 0.063 1.00 0.95 C ATOM 267 O GLY A 16 10.584 -0.933 0.392 1.00 1.20 O ATOM 268 H GLY A 16 6.402 -0.193 0.746 1.00 0.67 H ATOM 269 HA2 GLY A 16 8.557 -1.868 1.499 1.00 1.10 H ATOM 270 HA3 GLY A 16 7.754 -1.857 -0.063 1.00 0.95 H ATOM 271 N MET A 17 9.220 0.378 -0.823 1.00 0.82 N ATOM 272 CA MET A 17 10.316 1.027 -1.534 1.00 0.98 C ATOM 273 C MET A 17 11.169 1.872 -0.591 1.00 1.04 C ATOM 274 O MET A 17 12.383 1.968 -0.769 1.00 1.22 O ATOM 275 CB MET A 17 9.794 1.888 -2.693 1.00 1.03 C ATOM 276 CG MET A 17 8.942 3.071 -2.259 1.00 1.22 C ATOM 277 SD MET A 17 8.311 4.029 -3.652 1.00 1.89 S ATOM 278 CE MET A 17 9.837 4.602 -4.399 1.00 2.61 C ATOM 279 H MET A 17 8.294 0.650 -1.009 1.00 0.72 H ATOM 280 HA MET A 17 10.940 0.246 -1.943 1.00 1.18 H ATOM 281 HB2 MET A 17 10.638 2.269 -3.247 1.00 1.50 H ATOM 282 HB3 MET A 17 9.200 1.266 -3.345 1.00 1.56 H ATOM 283 HG2 MET A 17 8.104 2.703 -1.686 1.00 1.64 H ATOM 284 HG3 MET A 17 9.542 3.719 -1.637 1.00 1.77 H ATOM 285 HE1 MET A 17 10.417 3.754 -4.735 1.00 3.04 H ATOM 286 HE2 MET A 17 10.406 5.160 -3.671 1.00 3.03 H ATOM 287 HE3 MET A 17 9.608 5.238 -5.241 1.00 3.03 H ATOM 288 N LYS A 18 10.548 2.462 0.425 1.00 1.04 N ATOM 289 CA LYS A 18 11.288 3.305 1.358 1.00 1.24 C ATOM 290 C LYS A 18 11.968 2.463 2.432 1.00 1.56 C ATOM 291 O LYS A 18 12.725 2.982 3.248 1.00 2.01 O ATOM 292 CB LYS A 18 10.381 4.383 1.985 1.00 1.56 C ATOM 293 CG LYS A 18 9.196 3.863 2.798 1.00 2.04 C ATOM 294 CD LYS A 18 9.586 3.323 4.177 1.00 2.67 C ATOM 295 CE LYS A 18 9.983 4.421 5.164 1.00 3.27 C ATOM 296 NZ LYS A 18 11.305 5.036 4.853 1.00 3.89 N ATOM 297 H LYS A 18 9.582 2.333 0.547 1.00 1.02 H ATOM 298 HA LYS A 18 12.060 3.801 0.789 1.00 1.33 H ATOM 299 HB2 LYS A 18 10.982 4.995 2.633 1.00 2.01 H ATOM 300 HB3 LYS A 18 9.993 5.004 1.190 1.00 1.88 H ATOM 301 HG2 LYS A 18 8.494 4.672 2.936 1.00 2.29 H ATOM 302 HG3 LYS A 18 8.717 3.072 2.239 1.00 2.48 H ATOM 303 HD2 LYS A 18 8.747 2.783 4.586 1.00 3.05 H ATOM 304 HD3 LYS A 18 10.420 2.646 4.057 1.00 3.02 H ATOM 305 HE2 LYS A 18 9.228 5.192 5.141 1.00 3.60 H ATOM 306 HE3 LYS A 18 10.022 3.993 6.155 1.00 3.59 H ATOM 307 HZ1 LYS A 18 11.227 5.650 4.066 1.00 4.24 H ATOM 308 HZ2 LYS A 18 11.975 4.325 4.641 1.00 4.15 H ATOM 309 HZ3 LYS A 18 11.633 5.560 5.639 1.00 4.19 H ATOM 310 N ALA A 19 11.682 1.167 2.433 1.00 1.66 N ATOM 311 CA ALA A 19 12.302 0.247 3.377 1.00 2.22 C ATOM 312 C ALA A 19 13.609 -0.286 2.815 1.00 2.97 C ATOM 313 O ALA A 19 14.365 -0.973 3.503 1.00 3.52 O ATOM 314 CB ALA A 19 11.359 -0.900 3.703 1.00 2.40 C ATOM 315 H ALA A 19 11.033 0.819 1.785 1.00 1.57 H ATOM 316 HA ALA A 19 12.505 0.789 4.289 1.00 2.48 H ATOM 317 HB1 ALA A 19 10.442 -0.505 4.117 1.00 2.69 H ATOM 318 HB2 ALA A 19 11.825 -1.557 4.423 1.00 2.74 H ATOM 319 HB3 ALA A 19 11.137 -1.451 2.802 1.00 2.70 H ATOM 320 N VAL A 20 13.862 0.027 1.555 1.00 3.41 N ATOM 321 CA VAL A 20 15.081 -0.396 0.890 1.00 4.44 C ATOM 322 C VAL A 20 16.166 0.657 1.075 1.00 5.14 C ATOM 323 O VAL A 20 16.118 1.690 0.376 1.00 5.65 O ATOM 324 CB VAL A 20 14.850 -0.638 -0.619 1.00 4.95 C ATOM 325 CG1 VAL A 20 16.118 -1.152 -1.283 1.00 5.47 C ATOM 326 CG2 VAL A 20 13.701 -1.610 -0.838 1.00 5.14 C ATOM 327 OXT VAL A 20 17.052 0.454 1.928 1.00 5.52 O ATOM 328 H VAL A 20 13.215 0.570 1.060 1.00 3.24 H ATOM 329 HA VAL A 20 15.407 -1.323 1.340 1.00 4.72 H ATOM 330 HB VAL A 20 14.588 0.304 -1.077 1.00 5.28 H ATOM 331 HG11 VAL A 20 15.933 -1.311 -2.335 1.00 5.70 H ATOM 332 HG12 VAL A 20 16.412 -2.085 -0.825 1.00 5.79 H ATOM 333 HG13 VAL A 20 16.909 -0.427 -1.162 1.00 5.70 H ATOM 334 HG21 VAL A 20 13.933 -2.553 -0.363 1.00 5.35 H ATOM 335 HG22 VAL A 20 13.558 -1.766 -1.897 1.00 5.36 H ATOM 336 HG23 VAL A 20 12.797 -1.204 -0.408 1.00 5.32 H TER 337 VAL A 20 ENDMDL MODEL 5 ATOM 1 N LYS A 1 -5.890 6.612 0.564 1.00 1.55 N ATOM 2 CA LYS A 1 -6.407 5.256 0.285 1.00 1.01 C ATOM 3 C LYS A 1 -5.981 4.294 1.387 1.00 0.98 C ATOM 4 O LYS A 1 -4.791 4.134 1.670 1.00 1.92 O ATOM 5 CB LYS A 1 -5.922 4.771 -1.089 1.00 0.98 C ATOM 6 CG LYS A 1 -4.408 4.749 -1.247 1.00 0.89 C ATOM 7 CD LYS A 1 -3.995 4.527 -2.694 1.00 1.56 C ATOM 8 CE LYS A 1 -4.470 3.183 -3.223 1.00 2.04 C ATOM 9 NZ LYS A 1 -4.091 2.977 -4.645 1.00 2.60 N ATOM 10 H1 LYS A 1 -6.287 6.961 1.410 1.00 2.00 H ATOM 11 H2 LYS A 1 -6.124 7.232 -0.181 1.00 1.96 H ATOM 12 H3 LYS A 1 -4.894 6.587 0.661 1.00 1.89 H ATOM 13 HA LYS A 1 -7.486 5.306 0.278 1.00 1.36 H ATOM 14 HB2 LYS A 1 -6.291 3.769 -1.252 1.00 1.48 H ATOM 15 HB3 LYS A 1 -6.330 5.420 -1.849 1.00 1.44 H ATOM 16 HG2 LYS A 1 -4.007 5.692 -0.910 1.00 1.25 H ATOM 17 HG3 LYS A 1 -4.006 3.949 -0.641 1.00 1.20 H ATOM 18 HD2 LYS A 1 -4.421 5.310 -3.302 1.00 2.12 H ATOM 19 HD3 LYS A 1 -2.917 4.568 -2.759 1.00 2.15 H ATOM 20 HE2 LYS A 1 -4.030 2.398 -2.627 1.00 2.47 H ATOM 21 HE3 LYS A 1 -5.545 3.138 -3.138 1.00 2.49 H ATOM 22 HZ1 LYS A 1 -4.570 3.634 -5.231 1.00 2.97 H ATOM 23 HZ2 LYS A 1 -4.333 2.053 -4.937 1.00 2.96 H ATOM 24 HZ3 LYS A 1 -3.106 3.099 -4.760 1.00 2.93 H ATOM 25 N ILE A 2 -6.960 3.675 2.027 1.00 0.89 N ATOM 26 CA ILE A 2 -6.701 2.743 3.114 1.00 1.07 C ATOM 27 C ILE A 2 -7.546 1.491 2.922 1.00 0.72 C ATOM 28 O ILE A 2 -7.022 0.397 2.648 1.00 0.78 O ATOM 29 CB ILE A 2 -7.034 3.357 4.494 1.00 1.69 C ATOM 30 CG1 ILE A 2 -6.428 4.757 4.631 1.00 2.06 C ATOM 31 CG2 ILE A 2 -6.521 2.451 5.605 1.00 2.45 C ATOM 32 CD1 ILE A 2 -6.861 5.487 5.885 1.00 2.60 C ATOM 33 H ILE A 2 -7.891 3.839 1.751 1.00 1.50 H ATOM 34 HA ILE A 2 -5.656 2.480 3.095 1.00 1.35 H ATOM 35 HB ILE A 2 -8.108 3.424 4.586 1.00 1.67 H ATOM 36 HG12 ILE A 2 -5.351 4.674 4.652 1.00 2.57 H ATOM 37 HG13 ILE A 2 -6.721 5.353 3.780 1.00 2.22 H ATOM 38 HG21 ILE A 2 -7.014 1.493 5.545 1.00 2.90 H ATOM 39 HG22 ILE A 2 -6.726 2.903 6.564 1.00 2.80 H ATOM 40 HG23 ILE A 2 -5.454 2.315 5.492 1.00 2.81 H ATOM 41 HD11 ILE A 2 -6.372 6.448 5.929 1.00 3.02 H ATOM 42 HD12 ILE A 2 -6.591 4.904 6.753 1.00 2.98 H ATOM 43 HD13 ILE A 2 -7.931 5.629 5.866 1.00 2.95 H ATOM 44 N LYS A 3 -8.863 1.693 3.020 1.00 0.49 N ATOM 45 CA LYS A 3 -9.856 0.629 2.893 1.00 0.34 C ATOM 46 C LYS A 3 -9.537 -0.262 1.706 1.00 0.24 C ATOM 47 O LYS A 3 -8.902 0.194 0.739 1.00 0.31 O ATOM 48 CB LYS A 3 -11.246 1.242 2.716 1.00 0.53 C ATOM 49 CG LYS A 3 -11.670 2.145 3.864 1.00 1.27 C ATOM 50 CD LYS A 3 -12.881 2.988 3.493 1.00 1.81 C ATOM 51 CE LYS A 3 -14.126 2.142 3.278 1.00 2.59 C ATOM 52 NZ LYS A 3 -14.607 1.527 4.542 1.00 3.26 N ATOM 53 H LYS A 3 -9.182 2.609 3.169 1.00 0.60 H ATOM 54 HA LYS A 3 -9.838 0.039 3.798 1.00 0.43 H ATOM 55 HB2 LYS A 3 -11.255 1.824 1.807 1.00 1.18 H ATOM 56 HB3 LYS A 3 -11.968 0.445 2.628 1.00 0.99 H ATOM 57 HG2 LYS A 3 -11.918 1.534 4.718 1.00 1.75 H ATOM 58 HG3 LYS A 3 -10.851 2.801 4.116 1.00 1.91 H ATOM 59 HD2 LYS A 3 -13.073 3.691 4.288 1.00 2.21 H ATOM 60 HD3 LYS A 3 -12.664 3.527 2.582 1.00 2.20 H ATOM 61 HE2 LYS A 3 -14.906 2.768 2.874 1.00 3.04 H ATOM 62 HE3 LYS A 3 -13.894 1.358 2.572 1.00 2.97 H ATOM 63 HZ1 LYS A 3 -15.425 0.978 4.367 1.00 3.57 H ATOM 64 HZ2 LYS A 3 -14.838 2.238 5.207 1.00 3.65 H ATOM 65 HZ3 LYS A 3 -13.899 0.939 4.933 1.00 3.61 H ATOM 66 N ILE A 4 -9.953 -1.530 1.781 1.00 0.22 N ATOM 67 CA ILE A 4 -9.612 -2.493 0.747 1.00 0.21 C ATOM 68 C ILE A 4 -8.099 -2.741 0.793 1.00 0.14 C ATOM 69 O ILE A 4 -7.361 -2.010 1.468 1.00 0.13 O ATOM 70 CB ILE A 4 -10.061 -1.936 -0.643 1.00 0.30 C ATOM 71 CG1 ILE A 4 -11.588 -1.973 -0.757 1.00 0.60 C ATOM 72 CG2 ILE A 4 -9.417 -2.661 -1.816 1.00 0.25 C ATOM 73 CD1 ILE A 4 -12.120 -1.401 -2.054 1.00 0.77 C ATOM 74 H ILE A 4 -10.489 -1.817 2.546 1.00 0.28 H ATOM 75 HA ILE A 4 -10.138 -3.416 0.945 1.00 0.30 H ATOM 76 HB ILE A 4 -9.745 -0.907 -0.693 1.00 0.46 H ATOM 77 HG12 ILE A 4 -11.922 -2.995 -0.690 1.00 0.68 H ATOM 78 HG13 ILE A 4 -12.016 -1.405 0.056 1.00 0.74 H ATOM 79 HG21 ILE A 4 -9.816 -3.659 -1.887 1.00 1.06 H ATOM 80 HG22 ILE A 4 -8.343 -2.708 -1.661 1.00 1.06 H ATOM 81 HG23 ILE A 4 -9.622 -2.123 -2.729 1.00 1.05 H ATOM 82 HD11 ILE A 4 -11.847 -0.359 -2.127 1.00 1.29 H ATOM 83 HD12 ILE A 4 -13.196 -1.493 -2.073 1.00 1.31 H ATOM 84 HD13 ILE A 4 -11.698 -1.942 -2.886 1.00 1.30 H ATOM 85 N PRO A 5 -7.585 -3.802 0.172 1.00 0.18 N ATOM 86 CA PRO A 5 -6.168 -3.855 -0.149 1.00 0.19 C ATOM 87 C PRO A 5 -5.719 -2.683 -1.046 1.00 0.17 C ATOM 88 O PRO A 5 -5.002 -2.887 -2.019 1.00 0.32 O ATOM 89 CB PRO A 5 -6.014 -5.192 -0.876 1.00 0.31 C ATOM 90 CG PRO A 5 -7.140 -6.023 -0.369 1.00 0.46 C ATOM 91 CD PRO A 5 -8.276 -5.069 -0.146 1.00 0.29 C ATOM 92 HA PRO A 5 -5.573 -3.862 0.750 1.00 0.21 H ATOM 93 HB2 PRO A 5 -6.085 -5.034 -1.943 1.00 0.40 H ATOM 94 HB3 PRO A 5 -5.058 -5.629 -0.633 1.00 0.37 H ATOM 95 HG2 PRO A 5 -7.410 -6.766 -1.105 1.00 0.68 H ATOM 96 HG3 PRO A 5 -6.861 -6.497 0.561 1.00 0.67 H ATOM 97 HD2 PRO A 5 -8.863 -4.975 -1.044 1.00 0.31 H ATOM 98 HD3 PRO A 5 -8.888 -5.393 0.681 1.00 0.40 H ATOM 99 N TRP A 6 -6.138 -1.454 -0.720 1.00 0.14 N ATOM 100 CA TRP A 6 -5.623 -0.280 -1.392 1.00 0.22 C ATOM 101 C TRP A 6 -4.616 0.338 -0.469 1.00 0.24 C ATOM 102 O TRP A 6 -3.505 0.669 -0.864 1.00 0.35 O ATOM 103 CB TRP A 6 -6.716 0.739 -1.721 1.00 0.27 C ATOM 104 CG TRP A 6 -7.594 0.356 -2.871 1.00 0.31 C ATOM 105 CD1 TRP A 6 -8.953 0.344 -2.881 1.00 0.35 C ATOM 106 CD2 TRP A 6 -7.180 -0.058 -4.180 1.00 0.38 C ATOM 107 NE1 TRP A 6 -9.416 -0.062 -4.109 1.00 0.41 N ATOM 108 CE2 TRP A 6 -8.348 -0.312 -4.924 1.00 0.44 C ATOM 109 CE3 TRP A 6 -5.938 -0.241 -4.795 1.00 0.43 C ATOM 110 CZ2 TRP A 6 -8.309 -0.740 -6.248 1.00 0.53 C ATOM 111 CZ3 TRP A 6 -5.903 -0.664 -6.110 1.00 0.53 C ATOM 112 CH2 TRP A 6 -7.082 -0.910 -6.824 1.00 0.57 C ATOM 113 H TRP A 6 -6.785 -1.331 0.036 1.00 0.20 H ATOM 114 HA TRP A 6 -5.130 -0.596 -2.300 1.00 0.27 H ATOM 115 HB2 TRP A 6 -7.348 0.863 -0.854 1.00 0.25 H ATOM 116 HB3 TRP A 6 -6.254 1.685 -1.955 1.00 0.34 H ATOM 117 HD1 TRP A 6 -9.564 0.607 -2.031 1.00 0.35 H ATOM 118 HE1 TRP A 6 -10.363 -0.156 -4.360 1.00 0.46 H ATOM 119 HE3 TRP A 6 -5.020 -0.058 -4.263 1.00 0.41 H ATOM 120 HZ2 TRP A 6 -9.211 -0.933 -6.810 1.00 0.59 H ATOM 121 HZ3 TRP A 6 -4.953 -0.812 -6.601 1.00 0.58 H ATOM 122 HH2 TRP A 6 -7.005 -1.241 -7.849 1.00 0.66 H ATOM 123 N GLY A 7 -5.021 0.461 0.785 1.00 0.20 N ATOM 124 CA GLY A 7 -4.089 0.828 1.822 1.00 0.27 C ATOM 125 C GLY A 7 -3.075 -0.266 2.053 1.00 0.23 C ATOM 126 O GLY A 7 -1.909 0.010 2.332 1.00 0.31 O ATOM 127 H GLY A 7 -5.979 0.312 1.007 1.00 0.19 H ATOM 128 HA2 GLY A 7 -3.576 1.736 1.536 1.00 0.34 H ATOM 129 HA3 GLY A 7 -4.628 0.999 2.740 1.00 0.31 H ATOM 130 N LYS A 8 -3.521 -1.516 1.925 1.00 0.15 N ATOM 131 CA LYS A 8 -2.633 -2.666 2.100 1.00 0.18 C ATOM 132 C LYS A 8 -1.547 -2.683 1.027 1.00 0.16 C ATOM 133 O LYS A 8 -0.353 -2.741 1.335 1.00 0.22 O ATOM 134 CB LYS A 8 -3.420 -3.975 2.037 1.00 0.23 C ATOM 135 CG LYS A 8 -4.579 -4.052 3.023 1.00 1.19 C ATOM 136 CD LYS A 8 -4.098 -4.118 4.467 1.00 1.71 C ATOM 137 CE LYS A 8 -3.287 -5.378 4.737 1.00 2.35 C ATOM 138 NZ LYS A 8 -4.049 -6.615 4.416 1.00 2.94 N ATOM 139 H LYS A 8 -4.478 -1.668 1.719 1.00 0.14 H ATOM 140 HA LYS A 8 -2.165 -2.580 3.069 1.00 0.24 H ATOM 141 HB2 LYS A 8 -3.809 -4.096 1.039 1.00 0.89 H ATOM 142 HB3 LYS A 8 -2.747 -4.792 2.246 1.00 0.94 H ATOM 143 HG2 LYS A 8 -5.199 -3.177 2.901 1.00 1.93 H ATOM 144 HG3 LYS A 8 -5.161 -4.937 2.807 1.00 1.83 H ATOM 145 HD2 LYS A 8 -3.479 -3.257 4.667 1.00 2.15 H ATOM 146 HD3 LYS A 8 -4.957 -4.105 5.122 1.00 2.21 H ATOM 147 HE2 LYS A 8 -2.394 -5.350 4.134 1.00 2.75 H ATOM 148 HE3 LYS A 8 -3.012 -5.396 5.782 1.00 2.81 H ATOM 149 HZ1 LYS A 8 -4.925 -6.617 4.899 1.00 3.31 H ATOM 150 HZ2 LYS A 8 -3.530 -7.422 4.697 1.00 3.26 H ATOM 151 HZ3 LYS A 8 -4.220 -6.672 3.431 1.00 3.29 H ATOM 152 N VAL A 9 -1.968 -2.624 -0.233 1.00 0.13 N ATOM 153 CA VAL A 9 -1.035 -2.667 -1.352 1.00 0.16 C ATOM 154 C VAL A 9 -0.214 -1.386 -1.425 1.00 0.15 C ATOM 155 O VAL A 9 0.985 -1.433 -1.699 1.00 0.18 O ATOM 156 CB VAL A 9 -1.756 -2.914 -2.698 1.00 0.19 C ATOM 157 CG1 VAL A 9 -0.789 -2.800 -3.868 1.00 0.26 C ATOM 158 CG2 VAL A 9 -2.419 -4.283 -2.695 1.00 0.22 C ATOM 159 H VAL A 9 -2.926 -2.548 -0.414 1.00 0.13 H ATOM 160 HA VAL A 9 -0.359 -3.496 -1.180 1.00 0.20 H ATOM 161 HB VAL A 9 -2.525 -2.165 -2.816 1.00 0.19 H ATOM 162 HG11 VAL A 9 -1.317 -2.988 -4.791 1.00 1.05 H ATOM 163 HG12 VAL A 9 0.003 -3.525 -3.753 1.00 1.04 H ATOM 164 HG13 VAL A 9 -0.366 -1.806 -3.892 1.00 1.05 H ATOM 165 HG21 VAL A 9 -3.174 -4.317 -1.923 1.00 1.03 H ATOM 166 HG22 VAL A 9 -1.675 -5.042 -2.503 1.00 1.06 H ATOM 167 HG23 VAL A 9 -2.877 -4.463 -3.655 1.00 1.04 H ATOM 168 N LYS A 10 -0.849 -0.240 -1.168 1.00 0.19 N ATOM 169 CA LYS A 10 -0.106 1.023 -1.121 1.00 0.26 C ATOM 170 C LYS A 10 1.035 0.929 -0.117 1.00 0.19 C ATOM 171 O LYS A 10 2.165 1.315 -0.410 1.00 0.18 O ATOM 172 CB LYS A 10 -0.992 2.209 -0.738 1.00 0.40 C ATOM 173 CG LYS A 10 -0.211 3.511 -0.678 1.00 0.53 C ATOM 174 CD LYS A 10 -0.989 4.630 -0.015 1.00 1.08 C ATOM 175 CE LYS A 10 -0.129 5.876 0.122 1.00 1.79 C ATOM 176 NZ LYS A 10 0.226 6.459 -1.200 1.00 2.56 N ATOM 177 H LYS A 10 -1.831 -0.242 -1.030 1.00 0.20 H ATOM 178 HA LYS A 10 0.309 1.196 -2.102 1.00 0.32 H ATOM 179 HB2 LYS A 10 -1.781 2.313 -1.469 1.00 0.48 H ATOM 180 HB3 LYS A 10 -1.427 2.026 0.233 1.00 0.43 H ATOM 181 HG2 LYS A 10 0.697 3.346 -0.119 1.00 1.00 H ATOM 182 HG3 LYS A 10 0.039 3.811 -1.684 1.00 1.00 H ATOM 183 HD2 LYS A 10 -1.856 4.862 -0.617 1.00 1.54 H ATOM 184 HD3 LYS A 10 -1.304 4.308 0.967 1.00 1.45 H ATOM 185 HE2 LYS A 10 -0.667 6.611 0.698 1.00 2.13 H ATOM 186 HE3 LYS A 10 0.781 5.607 0.642 1.00 2.18 H ATOM 187 HZ1 LYS A 10 0.716 5.787 -1.757 1.00 2.94 H ATOM 188 HZ2 LYS A 10 0.813 7.259 -1.082 1.00 2.91 H ATOM 189 HZ3 LYS A 10 -0.601 6.740 -1.687 1.00 2.98 H ATOM 190 N ASP A 11 0.725 0.412 1.070 1.00 0.21 N ATOM 191 CA ASP A 11 1.722 0.239 2.123 1.00 0.26 C ATOM 192 C ASP A 11 2.874 -0.620 1.632 1.00 0.19 C ATOM 193 O ASP A 11 4.035 -0.342 1.921 1.00 0.25 O ATOM 194 CB ASP A 11 1.093 -0.405 3.360 1.00 0.40 C ATOM 195 CG ASP A 11 2.111 -0.697 4.442 1.00 0.79 C ATOM 196 OD1 ASP A 11 2.542 -1.863 4.561 1.00 1.29 O ATOM 197 OD2 ASP A 11 2.497 0.243 5.170 1.00 0.82 O ATOM 198 H ASP A 11 -0.203 0.138 1.244 1.00 0.24 H ATOM 199 HA ASP A 11 2.101 1.214 2.388 1.00 0.33 H ATOM 200 HB2 ASP A 11 0.348 0.262 3.765 1.00 0.52 H ATOM 201 HB3 ASP A 11 0.619 -1.334 3.075 1.00 0.62 H ATOM 202 N PHE A 12 2.544 -1.653 0.871 1.00 0.17 N ATOM 203 CA PHE A 12 3.548 -2.549 0.323 1.00 0.23 C ATOM 204 C PHE A 12 4.455 -1.804 -0.655 1.00 0.20 C ATOM 205 O PHE A 12 5.672 -1.984 -0.644 1.00 0.31 O ATOM 206 CB PHE A 12 2.877 -3.736 -0.374 1.00 0.30 C ATOM 207 CG PHE A 12 3.846 -4.752 -0.908 1.00 0.44 C ATOM 208 CD1 PHE A 12 4.367 -5.732 -0.079 1.00 0.60 C ATOM 209 CD2 PHE A 12 4.236 -4.726 -2.236 1.00 0.49 C ATOM 210 CE1 PHE A 12 5.258 -6.666 -0.565 1.00 0.74 C ATOM 211 CE2 PHE A 12 5.129 -5.659 -2.727 1.00 0.64 C ATOM 212 CZ PHE A 12 5.640 -6.630 -1.890 1.00 0.75 C ATOM 213 H PHE A 12 1.598 -1.811 0.668 1.00 0.19 H ATOM 214 HA PHE A 12 4.146 -2.915 1.142 1.00 0.30 H ATOM 215 HB2 PHE A 12 2.227 -4.235 0.328 1.00 0.36 H ATOM 216 HB3 PHE A 12 2.288 -3.371 -1.203 1.00 0.27 H ATOM 217 HD1 PHE A 12 4.068 -5.761 0.958 1.00 0.66 H ATOM 218 HD2 PHE A 12 3.836 -3.966 -2.890 1.00 0.49 H ATOM 219 HE1 PHE A 12 5.657 -7.425 0.093 1.00 0.89 H ATOM 220 HE2 PHE A 12 5.426 -5.627 -3.765 1.00 0.72 H ATOM 221 HZ PHE A 12 6.338 -7.361 -2.271 1.00 0.88 H ATOM 222 N LEU A 13 3.854 -0.958 -1.479 1.00 0.14 N ATOM 223 CA LEU A 13 4.593 -0.193 -2.477 1.00 0.21 C ATOM 224 C LEU A 13 5.440 0.897 -1.822 1.00 0.23 C ATOM 225 O LEU A 13 6.662 0.928 -1.980 1.00 0.33 O ATOM 226 CB LEU A 13 3.624 0.438 -3.480 1.00 0.28 C ATOM 227 CG LEU A 13 2.776 -0.552 -4.283 1.00 0.36 C ATOM 228 CD1 LEU A 13 1.794 0.191 -5.176 1.00 0.47 C ATOM 229 CD2 LEU A 13 3.662 -1.468 -5.115 1.00 0.46 C ATOM 230 H LEU A 13 2.879 -0.846 -1.420 1.00 0.15 H ATOM 231 HA LEU A 13 5.246 -0.873 -3.001 1.00 0.29 H ATOM 232 HB2 LEU A 13 2.958 1.094 -2.939 1.00 0.28 H ATOM 233 HB3 LEU A 13 4.198 1.033 -4.176 1.00 0.35 H ATOM 234 HG LEU A 13 2.205 -1.165 -3.600 1.00 0.32 H ATOM 235 HD11 LEU A 13 1.184 -0.521 -5.711 1.00 1.14 H ATOM 236 HD12 LEU A 13 2.340 0.799 -5.882 1.00 1.14 H ATOM 237 HD13 LEU A 13 1.163 0.823 -4.570 1.00 1.12 H ATOM 238 HD21 LEU A 13 4.298 -2.046 -4.460 1.00 1.13 H ATOM 239 HD22 LEU A 13 4.273 -0.872 -5.778 1.00 1.12 H ATOM 240 HD23 LEU A 13 3.044 -2.134 -5.697 1.00 1.13 H ATOM 241 N VAL A 14 4.786 1.780 -1.078 1.00 0.25 N ATOM 242 CA VAL A 14 5.462 2.898 -0.434 1.00 0.37 C ATOM 243 C VAL A 14 6.465 2.397 0.605 1.00 0.45 C ATOM 244 O VAL A 14 7.518 3.000 0.823 1.00 0.52 O ATOM 245 CB VAL A 14 4.450 3.850 0.236 1.00 0.53 C ATOM 246 CG1 VAL A 14 5.147 5.084 0.772 1.00 1.22 C ATOM 247 CG2 VAL A 14 3.354 4.243 -0.740 1.00 1.19 C ATOM 248 H VAL A 14 3.816 1.680 -0.958 1.00 0.26 H ATOM 249 HA VAL A 14 5.994 3.449 -1.197 1.00 0.39 H ATOM 250 HB VAL A 14 3.993 3.331 1.066 1.00 1.03 H ATOM 251 HG11 VAL A 14 5.891 4.790 1.495 1.00 1.77 H ATOM 252 HG12 VAL A 14 4.422 5.731 1.243 1.00 1.79 H ATOM 253 HG13 VAL A 14 5.624 5.608 -0.042 1.00 1.76 H ATOM 254 HG21 VAL A 14 2.667 4.920 -0.256 1.00 1.76 H ATOM 255 HG22 VAL A 14 2.822 3.359 -1.061 1.00 1.72 H ATOM 256 HG23 VAL A 14 3.793 4.729 -1.598 1.00 1.78 H ATOM 257 N GLY A 15 6.129 1.295 1.250 1.00 0.54 N ATOM 258 CA GLY A 15 7.055 0.666 2.168 1.00 0.72 C ATOM 259 C GLY A 15 8.220 0.029 1.440 1.00 0.76 C ATOM 260 O GLY A 15 9.371 0.174 1.848 1.00 0.91 O ATOM 261 H GLY A 15 5.236 0.906 1.111 1.00 0.53 H ATOM 262 HA2 GLY A 15 7.432 1.411 2.854 1.00 0.78 H ATOM 263 HA3 GLY A 15 6.533 -0.095 2.726 1.00 0.85 H ATOM 264 N GLY A 16 7.917 -0.647 0.338 1.00 0.74 N ATOM 265 CA GLY A 16 8.935 -1.336 -0.432 1.00 0.92 C ATOM 266 C GLY A 16 9.926 -0.388 -1.078 1.00 0.95 C ATOM 267 O GLY A 16 11.100 -0.725 -1.232 1.00 1.20 O ATOM 268 H GLY A 16 6.982 -0.683 0.040 1.00 0.67 H ATOM 269 HA2 GLY A 16 9.471 -2.008 0.222 1.00 1.10 H ATOM 270 HA3 GLY A 16 8.453 -1.916 -1.206 1.00 0.95 H ATOM 271 N MET A 17 9.462 0.797 -1.460 1.00 0.82 N ATOM 272 CA MET A 17 10.342 1.796 -2.060 1.00 0.98 C ATOM 273 C MET A 17 11.270 2.394 -1.007 1.00 1.04 C ATOM 274 O MET A 17 12.320 2.944 -1.329 1.00 1.22 O ATOM 275 CB MET A 17 9.539 2.909 -2.744 1.00 1.03 C ATOM 276 CG MET A 17 8.812 3.825 -1.776 1.00 1.22 C ATOM 277 SD MET A 17 7.917 5.156 -2.597 1.00 1.89 S ATOM 278 CE MET A 17 9.262 6.064 -3.354 1.00 2.61 C ATOM 279 H MET A 17 8.504 0.997 -1.351 1.00 0.72 H ATOM 280 HA MET A 17 10.945 1.294 -2.804 1.00 1.18 H ATOM 281 HB2 MET A 17 10.213 3.511 -3.335 1.00 1.50 H ATOM 282 HB3 MET A 17 8.807 2.458 -3.397 1.00 1.56 H ATOM 283 HG2 MET A 17 8.108 3.237 -1.208 1.00 1.64 H ATOM 284 HG3 MET A 17 9.538 4.260 -1.102 1.00 1.77 H ATOM 285 HE1 MET A 17 9.954 6.384 -2.591 1.00 3.04 H ATOM 286 HE2 MET A 17 8.868 6.929 -3.867 1.00 3.03 H ATOM 287 HE3 MET A 17 9.773 5.428 -4.060 1.00 3.03 H ATOM 288 N LYS A 18 10.877 2.285 0.256 1.00 1.04 N ATOM 289 CA LYS A 18 11.710 2.765 1.348 1.00 1.24 C ATOM 290 C LYS A 18 12.530 1.622 1.933 1.00 1.56 C ATOM 291 O LYS A 18 13.282 1.805 2.888 1.00 2.01 O ATOM 292 CB LYS A 18 10.857 3.410 2.443 1.00 1.56 C ATOM 293 CG LYS A 18 10.050 4.607 1.966 1.00 2.04 C ATOM 294 CD LYS A 18 9.523 5.432 3.132 1.00 2.67 C ATOM 295 CE LYS A 18 8.598 4.630 4.037 1.00 3.27 C ATOM 296 NZ LYS A 18 7.338 4.244 3.351 1.00 3.89 N ATOM 297 H LYS A 18 10.010 1.871 0.459 1.00 1.02 H ATOM 298 HA LYS A 18 12.386 3.507 0.948 1.00 1.33 H ATOM 299 HB2 LYS A 18 10.170 2.670 2.825 1.00 2.01 H ATOM 300 HB3 LYS A 18 11.504 3.735 3.243 1.00 1.88 H ATOM 301 HG2 LYS A 18 10.681 5.232 1.354 1.00 2.29 H ATOM 302 HG3 LYS A 18 9.214 4.253 1.381 1.00 2.48 H ATOM 303 HD2 LYS A 18 10.361 5.780 3.717 1.00 3.05 H ATOM 304 HD3 LYS A 18 8.982 6.281 2.740 1.00 3.02 H ATOM 305 HE2 LYS A 18 9.112 3.737 4.354 1.00 3.60 H ATOM 306 HE3 LYS A 18 8.357 5.230 4.902 1.00 3.59 H ATOM 307 HZ1 LYS A 18 7.540 3.699 2.535 1.00 4.24 H ATOM 308 HZ2 LYS A 18 6.831 5.059 3.077 1.00 4.15 H ATOM 309 HZ3 LYS A 18 6.764 3.702 3.969 1.00 4.19 H ATOM 310 N ALA A 19 12.376 0.442 1.347 1.00 1.66 N ATOM 311 CA ALA A 19 13.093 -0.739 1.799 1.00 2.22 C ATOM 312 C ALA A 19 13.811 -1.407 0.632 1.00 2.97 C ATOM 313 O ALA A 19 13.862 -2.636 0.533 1.00 3.52 O ATOM 314 CB ALA A 19 12.136 -1.712 2.467 1.00 2.40 C ATOM 315 H ALA A 19 11.760 0.362 0.591 1.00 1.57 H ATOM 316 HA ALA A 19 13.826 -0.428 2.530 1.00 2.48 H ATOM 317 HB1 ALA A 19 11.629 -1.217 3.281 1.00 2.69 H ATOM 318 HB2 ALA A 19 12.691 -2.556 2.848 1.00 2.74 H ATOM 319 HB3 ALA A 19 11.409 -2.055 1.745 1.00 2.70 H ATOM 320 N VAL A 20 14.354 -0.589 -0.255 1.00 3.41 N ATOM 321 CA VAL A 20 15.087 -1.083 -1.407 1.00 4.44 C ATOM 322 C VAL A 20 16.435 -0.379 -1.519 1.00 5.14 C ATOM 323 O VAL A 20 16.459 0.869 -1.607 1.00 5.65 O ATOM 324 CB VAL A 20 14.279 -0.932 -2.723 1.00 4.95 C ATOM 325 CG1 VAL A 20 13.807 0.501 -2.930 1.00 5.47 C ATOM 326 CG2 VAL A 20 15.101 -1.401 -3.915 1.00 5.14 C ATOM 327 OXT VAL A 20 17.471 -1.073 -1.501 1.00 5.52 O ATOM 328 H VAL A 20 14.269 0.380 -0.125 1.00 3.24 H ATOM 329 HA VAL A 20 15.268 -2.138 -1.246 1.00 4.72 H ATOM 330 HB VAL A 20 13.405 -1.563 -2.652 1.00 5.28 H ATOM 331 HG11 VAL A 20 13.237 0.562 -3.845 1.00 5.70 H ATOM 332 HG12 VAL A 20 14.662 1.155 -2.993 1.00 5.79 H ATOM 333 HG13 VAL A 20 13.186 0.800 -2.098 1.00 5.70 H ATOM 334 HG21 VAL A 20 15.394 -2.430 -3.769 1.00 5.35 H ATOM 335 HG22 VAL A 20 15.983 -0.785 -4.010 1.00 5.36 H ATOM 336 HG23 VAL A 20 14.508 -1.321 -4.815 1.00 5.32 H TER 337 VAL A 20 ENDMDL MODEL 6 ATOM 1 N LYS A 1 -3.557 3.621 1.994 1.00 1.55 N ATOM 2 CA LYS A 1 -4.615 4.617 1.702 1.00 1.01 C ATOM 3 C LYS A 1 -5.816 4.423 2.616 1.00 0.98 C ATOM 4 O LYS A 1 -6.092 5.259 3.477 1.00 1.92 O ATOM 5 CB LYS A 1 -5.065 4.524 0.236 1.00 0.98 C ATOM 6 CG LYS A 1 -3.981 4.886 -0.767 1.00 0.89 C ATOM 7 CD LYS A 1 -4.532 4.952 -2.182 1.00 1.56 C ATOM 8 CE LYS A 1 -3.491 5.448 -3.172 1.00 2.04 C ATOM 9 NZ LYS A 1 -4.080 5.700 -4.512 1.00 2.60 N ATOM 10 H1 LYS A 1 -3.354 3.617 2.976 1.00 2.00 H ATOM 11 H2 LYS A 1 -2.722 3.855 1.504 1.00 1.96 H ATOM 12 H3 LYS A 1 -3.850 2.712 1.717 1.00 1.89 H ATOM 13 HA LYS A 1 -4.209 5.600 1.880 1.00 1.36 H ATOM 14 HB2 LYS A 1 -5.393 3.513 0.032 1.00 1.48 H ATOM 15 HB3 LYS A 1 -5.899 5.196 0.088 1.00 1.44 H ATOM 16 HG2 LYS A 1 -3.569 5.851 -0.507 1.00 1.25 H ATOM 17 HG3 LYS A 1 -3.203 4.138 -0.728 1.00 1.20 H ATOM 18 HD2 LYS A 1 -4.851 3.963 -2.479 1.00 2.12 H ATOM 19 HD3 LYS A 1 -5.378 5.622 -2.198 1.00 2.15 H ATOM 20 HE2 LYS A 1 -3.065 6.368 -2.797 1.00 2.47 H ATOM 21 HE3 LYS A 1 -2.715 4.704 -3.262 1.00 2.49 H ATOM 22 HZ1 LYS A 1 -3.378 6.030 -5.142 1.00 2.97 H ATOM 23 HZ2 LYS A 1 -4.801 6.388 -4.448 1.00 2.96 H ATOM 24 HZ3 LYS A 1 -4.474 4.857 -4.878 1.00 2.93 H ATOM 25 N ILE A 2 -6.522 3.319 2.435 1.00 0.89 N ATOM 26 CA ILE A 2 -7.743 3.072 3.178 1.00 1.07 C ATOM 27 C ILE A 2 -8.114 1.588 3.058 1.00 0.72 C ATOM 28 O ILE A 2 -7.295 0.783 2.578 1.00 0.78 O ATOM 29 CB ILE A 2 -8.880 3.994 2.639 1.00 1.69 C ATOM 30 CG1 ILE A 2 -9.980 4.229 3.685 1.00 2.06 C ATOM 31 CG2 ILE A 2 -9.477 3.445 1.346 1.00 2.45 C ATOM 32 CD1 ILE A 2 -9.489 4.907 4.949 1.00 2.60 C ATOM 33 H ILE A 2 -6.220 2.650 1.786 1.00 1.50 H ATOM 34 HA ILE A 2 -7.561 3.311 4.216 1.00 1.35 H ATOM 35 HB ILE A 2 -8.435 4.946 2.400 1.00 1.67 H ATOM 36 HG12 ILE A 2 -10.745 4.859 3.254 1.00 2.57 H ATOM 37 HG13 ILE A 2 -10.419 3.288 3.963 1.00 2.22 H ATOM 38 HG21 ILE A 2 -10.261 4.104 1.002 1.00 2.90 H ATOM 39 HG22 ILE A 2 -9.888 2.462 1.527 1.00 2.80 H ATOM 40 HG23 ILE A 2 -8.706 3.378 0.594 1.00 2.81 H ATOM 41 HD11 ILE A 2 -8.771 4.274 5.444 1.00 3.02 H ATOM 42 HD12 ILE A 2 -10.326 5.087 5.608 1.00 2.98 H ATOM 43 HD13 ILE A 2 -9.024 5.848 4.695 1.00 2.95 H ATOM 44 N LYS A 3 -9.319 1.232 3.510 1.00 0.49 N ATOM 45 CA LYS A 3 -9.877 -0.112 3.346 1.00 0.34 C ATOM 46 C LYS A 3 -9.583 -0.699 1.962 1.00 0.24 C ATOM 47 O LYS A 3 -9.062 -0.010 1.070 1.00 0.31 O ATOM 48 CB LYS A 3 -11.389 -0.074 3.616 1.00 0.53 C ATOM 49 CG LYS A 3 -12.132 1.061 2.916 1.00 1.27 C ATOM 50 CD LYS A 3 -12.424 0.749 1.456 1.00 1.81 C ATOM 51 CE LYS A 3 -13.260 1.840 0.809 1.00 2.59 C ATOM 52 NZ LYS A 3 -14.561 2.035 1.507 1.00 3.26 N ATOM 53 H LYS A 3 -9.844 1.891 3.997 1.00 0.60 H ATOM 54 HA LYS A 3 -9.416 -0.747 4.086 1.00 0.43 H ATOM 55 HB2 LYS A 3 -11.822 -1.007 3.289 1.00 1.18 H ATOM 56 HB3 LYS A 3 -11.547 0.026 4.680 1.00 0.99 H ATOM 57 HG2 LYS A 3 -13.068 1.232 3.427 1.00 1.75 H ATOM 58 HG3 LYS A 3 -11.525 1.957 2.965 1.00 1.91 H ATOM 59 HD2 LYS A 3 -11.489 0.660 0.922 1.00 2.21 H ATOM 60 HD3 LYS A 3 -12.962 -0.187 1.400 1.00 2.20 H ATOM 61 HE2 LYS A 3 -12.705 2.766 0.839 1.00 3.04 H ATOM 62 HE3 LYS A 3 -13.451 1.570 -0.220 1.00 2.97 H ATOM 63 HZ1 LYS A 3 -15.135 2.674 0.994 1.00 3.57 H ATOM 64 HZ2 LYS A 3 -14.410 2.405 2.424 1.00 3.65 H ATOM 65 HZ3 LYS A 3 -15.044 1.161 1.590 1.00 3.61 H ATOM 66 N ILE A 4 -9.898 -1.983 1.781 1.00 0.22 N ATOM 67 CA ILE A 4 -9.503 -2.672 0.565 1.00 0.21 C ATOM 68 C ILE A 4 -7.968 -2.766 0.554 1.00 0.14 C ATOM 69 O ILE A 4 -7.286 -2.104 1.353 1.00 0.13 O ATOM 70 CB ILE A 4 -10.050 -1.893 -0.679 1.00 0.30 C ATOM 71 CG1 ILE A 4 -11.574 -2.038 -0.759 1.00 0.60 C ATOM 72 CG2 ILE A 4 -9.406 -2.329 -1.986 1.00 0.25 C ATOM 73 CD1 ILE A 4 -12.206 -1.253 -1.891 1.00 0.77 C ATOM 74 H ILE A 4 -10.399 -2.465 2.470 1.00 0.28 H ATOM 75 HA ILE A 4 -9.928 -3.666 0.578 1.00 0.30 H ATOM 76 HB ILE A 4 -9.816 -0.849 -0.537 1.00 0.46 H ATOM 77 HG12 ILE A 4 -11.823 -3.079 -0.901 1.00 0.68 H ATOM 78 HG13 ILE A 4 -12.010 -1.693 0.168 1.00 0.74 H ATOM 79 HG21 ILE A 4 -9.779 -3.302 -2.261 1.00 1.06 H ATOM 80 HG22 ILE A 4 -8.331 -2.378 -1.857 1.00 1.06 H ATOM 81 HG23 ILE A 4 -9.643 -1.616 -2.761 1.00 1.05 H ATOM 82 HD11 ILE A 4 -11.799 -1.591 -2.833 1.00 1.29 H ATOM 83 HD12 ILE A 4 -11.992 -0.202 -1.763 1.00 1.31 H ATOM 84 HD13 ILE A 4 -13.275 -1.407 -1.885 1.00 1.30 H ATOM 85 N PRO A 5 -7.374 -3.646 -0.250 1.00 0.18 N ATOM 86 CA PRO A 5 -5.948 -3.565 -0.517 1.00 0.19 C ATOM 87 C PRO A 5 -5.516 -2.229 -1.162 1.00 0.17 C ATOM 88 O PRO A 5 -4.779 -2.227 -2.148 1.00 0.32 O ATOM 89 CB PRO A 5 -5.690 -4.742 -1.463 1.00 0.31 C ATOM 90 CG PRO A 5 -6.799 -5.698 -1.195 1.00 0.46 C ATOM 91 CD PRO A 5 -7.986 -4.850 -0.848 1.00 0.29 C ATOM 92 HA PRO A 5 -5.386 -3.709 0.390 1.00 0.21 H ATOM 93 HB2 PRO A 5 -5.704 -4.395 -2.483 1.00 0.40 H ATOM 94 HB3 PRO A 5 -4.730 -5.184 -1.241 1.00 0.37 H ATOM 95 HG2 PRO A 5 -7.000 -6.286 -2.078 1.00 0.68 H ATOM 96 HG3 PRO A 5 -6.541 -6.339 -0.365 1.00 0.67 H ATOM 97 HD2 PRO A 5 -8.542 -4.603 -1.738 1.00 0.31 H ATOM 98 HD3 PRO A 5 -8.619 -5.356 -0.134 1.00 0.40 H ATOM 99 N TRP A 6 -5.964 -1.091 -0.602 1.00 0.14 N ATOM 100 CA TRP A 6 -5.409 0.199 -0.964 1.00 0.22 C ATOM 101 C TRP A 6 -4.578 0.648 0.203 1.00 0.24 C ATOM 102 O TRP A 6 -3.529 1.268 0.052 1.00 0.35 O ATOM 103 CB TRP A 6 -6.486 1.239 -1.262 1.00 0.27 C ATOM 104 CG TRP A 6 -7.323 0.922 -2.457 1.00 0.31 C ATOM 105 CD1 TRP A 6 -8.681 0.952 -2.520 1.00 0.35 C ATOM 106 CD2 TRP A 6 -6.865 0.524 -3.755 1.00 0.38 C ATOM 107 NE1 TRP A 6 -9.100 0.611 -3.779 1.00 0.41 N ATOM 108 CE2 TRP A 6 -8.007 0.338 -4.555 1.00 0.44 C ATOM 109 CE3 TRP A 6 -5.605 0.309 -4.323 1.00 0.43 C ATOM 110 CZ2 TRP A 6 -7.925 -0.053 -5.889 1.00 0.53 C ATOM 111 CZ3 TRP A 6 -5.527 -0.080 -5.645 1.00 0.53 C ATOM 112 CH2 TRP A 6 -6.681 -0.256 -6.416 1.00 0.57 C ATOM 113 H TRP A 6 -6.674 -1.123 0.101 1.00 0.20 H ATOM 114 HA TRP A 6 -4.773 0.070 -1.826 1.00 0.27 H ATOM 115 HB2 TRP A 6 -7.144 1.321 -0.409 1.00 0.25 H ATOM 116 HB3 TRP A 6 -6.012 2.194 -1.433 1.00 0.34 H ATOM 117 HD1 TRP A 6 -9.319 1.214 -1.692 1.00 0.35 H ATOM 118 HE1 TRP A 6 -10.033 0.566 -4.072 1.00 0.46 H ATOM 119 HE3 TRP A 6 -4.702 0.441 -3.746 1.00 0.41 H ATOM 120 HZ2 TRP A 6 -8.806 -0.192 -6.498 1.00 0.59 H ATOM 121 HZ3 TRP A 6 -4.564 -0.250 -6.099 1.00 0.58 H ATOM 122 HH2 TRP A 6 -6.573 -0.560 -7.445 1.00 0.66 H ATOM 123 N GLY A 7 -5.085 0.345 1.384 1.00 0.20 N ATOM 124 CA GLY A 7 -4.262 0.413 2.568 1.00 0.27 C ATOM 125 C GLY A 7 -3.153 -0.607 2.500 1.00 0.23 C ATOM 126 O GLY A 7 -2.002 -0.311 2.812 1.00 0.31 O ATOM 127 H GLY A 7 -6.054 0.101 1.460 1.00 0.19 H ATOM 128 HA2 GLY A 7 -3.836 1.401 2.651 1.00 0.34 H ATOM 129 HA3 GLY A 7 -4.871 0.214 3.436 1.00 0.31 H ATOM 130 N LYS A 8 -3.502 -1.804 2.046 1.00 0.15 N ATOM 131 CA LYS A 8 -2.533 -2.888 1.952 1.00 0.18 C ATOM 132 C LYS A 8 -1.501 -2.629 0.855 1.00 0.16 C ATOM 133 O LYS A 8 -0.353 -2.308 1.147 1.00 0.22 O ATOM 134 CB LYS A 8 -3.236 -4.223 1.700 1.00 0.23 C ATOM 135 CG LYS A 8 -4.297 -4.554 2.734 1.00 1.19 C ATOM 136 CD LYS A 8 -4.883 -5.937 2.510 1.00 1.71 C ATOM 137 CE LYS A 8 -5.882 -6.296 3.598 1.00 2.35 C ATOM 138 NZ LYS A 8 -6.401 -7.680 3.449 1.00 2.94 N ATOM 139 H LYS A 8 -4.439 -1.962 1.778 1.00 0.14 H ATOM 140 HA LYS A 8 -2.018 -2.943 2.898 1.00 0.24 H ATOM 141 HB2 LYS A 8 -3.702 -4.194 0.727 1.00 0.89 H ATOM 142 HB3 LYS A 8 -2.496 -5.011 1.710 1.00 0.94 H ATOM 143 HG2 LYS A 8 -3.850 -4.518 3.716 1.00 1.93 H ATOM 144 HG3 LYS A 8 -5.089 -3.822 2.669 1.00 1.83 H ATOM 145 HD2 LYS A 8 -5.384 -5.955 1.554 1.00 2.15 H ATOM 146 HD3 LYS A 8 -4.082 -6.662 2.513 1.00 2.21 H ATOM 147 HE2 LYS A 8 -5.395 -6.207 4.557 1.00 2.75 H ATOM 148 HE3 LYS A 8 -6.709 -5.603 3.551 1.00 2.81 H ATOM 149 HZ1 LYS A 8 -7.037 -7.891 4.194 1.00 3.31 H ATOM 150 HZ2 LYS A 8 -5.649 -8.337 3.480 1.00 3.26 H ATOM 151 HZ3 LYS A 8 -6.880 -7.779 2.577 1.00 3.29 H ATOM 152 N VAL A 9 -1.929 -2.738 -0.403 1.00 0.13 N ATOM 153 CA VAL A 9 -1.013 -2.699 -1.542 1.00 0.16 C ATOM 154 C VAL A 9 -0.211 -1.403 -1.608 1.00 0.15 C ATOM 155 O VAL A 9 1.015 -1.446 -1.691 1.00 0.18 O ATOM 156 CB VAL A 9 -1.759 -2.911 -2.878 1.00 0.19 C ATOM 157 CG1 VAL A 9 -0.813 -2.760 -4.061 1.00 0.26 C ATOM 158 CG2 VAL A 9 -2.411 -4.281 -2.905 1.00 0.22 C ATOM 159 H VAL A 9 -2.887 -2.850 -0.570 1.00 0.13 H ATOM 160 HA VAL A 9 -0.320 -3.520 -1.422 1.00 0.20 H ATOM 161 HB VAL A 9 -2.534 -2.163 -2.962 1.00 0.19 H ATOM 162 HG11 VAL A 9 -0.014 -3.482 -3.977 1.00 1.05 H ATOM 163 HG12 VAL A 9 -0.398 -1.764 -4.065 1.00 1.04 H ATOM 164 HG13 VAL A 9 -1.356 -2.928 -4.979 1.00 1.05 H ATOM 165 HG21 VAL A 9 -3.109 -4.362 -2.085 1.00 1.03 H ATOM 166 HG22 VAL A 9 -1.653 -5.044 -2.808 1.00 1.06 H ATOM 167 HG23 VAL A 9 -2.936 -4.411 -3.838 1.00 1.04 H ATOM 168 N LYS A 10 -0.887 -0.257 -1.557 1.00 0.19 N ATOM 169 CA LYS A 10 -0.199 1.029 -1.683 1.00 0.26 C ATOM 170 C LYS A 10 0.922 1.164 -0.655 1.00 0.19 C ATOM 171 O LYS A 10 2.061 1.485 -1.005 1.00 0.18 O ATOM 172 CB LYS A 10 -1.190 2.200 -1.562 1.00 0.40 C ATOM 173 CG LYS A 10 -0.530 3.575 -1.466 1.00 0.53 C ATOM 174 CD LYS A 10 -0.290 3.983 -0.019 1.00 1.08 C ATOM 175 CE LYS A 10 0.623 5.194 0.090 1.00 1.79 C ATOM 176 NZ LYS A 10 0.826 5.604 1.505 1.00 2.56 N ATOM 177 H LYS A 10 -1.862 -0.277 -1.438 1.00 0.20 H ATOM 178 HA LYS A 10 0.245 1.058 -2.669 1.00 0.32 H ATOM 179 HB2 LYS A 10 -1.837 2.197 -2.426 1.00 0.48 H ATOM 180 HB3 LYS A 10 -1.791 2.052 -0.675 1.00 0.43 H ATOM 181 HG2 LYS A 10 0.418 3.543 -1.982 1.00 1.00 H ATOM 182 HG3 LYS A 10 -1.172 4.306 -1.936 1.00 1.00 H ATOM 183 HD2 LYS A 10 -1.239 4.222 0.437 1.00 1.54 H ATOM 184 HD3 LYS A 10 0.162 3.154 0.506 1.00 1.45 H ATOM 185 HE2 LYS A 10 1.580 4.947 -0.345 1.00 2.13 H ATOM 186 HE3 LYS A 10 0.179 6.015 -0.456 1.00 2.18 H ATOM 187 HZ1 LYS A 10 1.602 6.231 1.573 1.00 2.94 H ATOM 188 HZ2 LYS A 10 1.006 4.802 2.081 1.00 2.91 H ATOM 189 HZ3 LYS A 10 0.009 6.067 1.849 1.00 2.98 H ATOM 190 N ASP A 11 0.608 0.904 0.607 1.00 0.21 N ATOM 191 CA ASP A 11 1.578 1.074 1.670 1.00 0.26 C ATOM 192 C ASP A 11 2.582 -0.067 1.684 1.00 0.19 C ATOM 193 O ASP A 11 3.658 0.050 2.266 1.00 0.25 O ATOM 194 CB ASP A 11 0.873 1.202 3.012 1.00 0.40 C ATOM 195 CG ASP A 11 0.184 2.543 3.161 1.00 0.79 C ATOM 196 OD1 ASP A 11 -1.066 2.588 3.132 1.00 1.29 O ATOM 197 OD2 ASP A 11 0.889 3.568 3.291 1.00 0.82 O ATOM 198 H ASP A 11 -0.291 0.588 0.833 1.00 0.24 H ATOM 199 HA ASP A 11 2.110 1.991 1.473 1.00 0.33 H ATOM 200 HB2 ASP A 11 0.130 0.423 3.100 1.00 0.52 H ATOM 201 HB3 ASP A 11 1.595 1.097 3.800 1.00 0.62 H ATOM 202 N PHE A 12 2.232 -1.163 1.030 1.00 0.17 N ATOM 203 CA PHE A 12 3.151 -2.278 0.854 1.00 0.23 C ATOM 204 C PHE A 12 4.204 -1.928 -0.194 1.00 0.20 C ATOM 205 O PHE A 12 5.385 -2.230 -0.029 1.00 0.31 O ATOM 206 CB PHE A 12 2.384 -3.539 0.441 1.00 0.30 C ATOM 207 CG PHE A 12 3.262 -4.706 0.087 1.00 0.44 C ATOM 208 CD1 PHE A 12 3.925 -5.419 1.074 1.00 0.60 C ATOM 209 CD2 PHE A 12 3.416 -5.095 -1.234 1.00 0.49 C ATOM 210 CE1 PHE A 12 4.727 -6.495 0.747 1.00 0.74 C ATOM 211 CE2 PHE A 12 4.217 -6.169 -1.566 1.00 0.64 C ATOM 212 CZ PHE A 12 4.873 -6.871 -0.573 1.00 0.75 C ATOM 213 H PHE A 12 1.325 -1.228 0.657 1.00 0.19 H ATOM 214 HA PHE A 12 3.644 -2.456 1.799 1.00 0.30 H ATOM 215 HB2 PHE A 12 1.744 -3.843 1.255 1.00 0.36 H ATOM 216 HB3 PHE A 12 1.773 -3.311 -0.420 1.00 0.27 H ATOM 217 HD1 PHE A 12 3.812 -5.125 2.107 1.00 0.66 H ATOM 218 HD2 PHE A 12 2.904 -4.547 -2.011 1.00 0.49 H ATOM 219 HE1 PHE A 12 5.239 -7.044 1.522 1.00 0.89 H ATOM 220 HE2 PHE A 12 4.331 -6.461 -2.599 1.00 0.72 H ATOM 221 HZ PHE A 12 5.498 -7.712 -0.830 1.00 0.88 H ATOM 222 N LEU A 13 3.763 -1.283 -1.269 1.00 0.14 N ATOM 223 CA LEU A 13 4.659 -0.872 -2.343 1.00 0.21 C ATOM 224 C LEU A 13 5.654 0.167 -1.843 1.00 0.23 C ATOM 225 O LEU A 13 6.865 -0.067 -1.846 1.00 0.33 O ATOM 226 CB LEU A 13 3.865 -0.301 -3.521 1.00 0.28 C ATOM 227 CG LEU A 13 2.862 -1.261 -4.167 1.00 0.36 C ATOM 228 CD1 LEU A 13 2.118 -0.566 -5.296 1.00 0.47 C ATOM 229 CD2 LEU A 13 3.566 -2.511 -4.678 1.00 0.46 C ATOM 230 H LEU A 13 2.801 -1.085 -1.347 1.00 0.15 H ATOM 231 HA LEU A 13 5.204 -1.744 -2.673 1.00 0.29 H ATOM 232 HB2 LEU A 13 3.324 0.567 -3.173 1.00 0.28 H ATOM 233 HB3 LEU A 13 4.565 0.014 -4.280 1.00 0.35 H ATOM 234 HG LEU A 13 2.136 -1.564 -3.426 1.00 0.32 H ATOM 235 HD11 LEU A 13 1.605 0.302 -4.908 1.00 1.14 H ATOM 236 HD12 LEU A 13 1.399 -1.247 -5.725 1.00 1.14 H ATOM 237 HD13 LEU A 13 2.822 -0.259 -6.055 1.00 1.12 H ATOM 238 HD21 LEU A 13 4.037 -3.023 -3.851 1.00 1.13 H ATOM 239 HD22 LEU A 13 4.318 -2.230 -5.401 1.00 1.12 H ATOM 240 HD23 LEU A 13 2.846 -3.165 -5.142 1.00 1.13 H ATOM 241 N VAL A 14 5.136 1.307 -1.395 1.00 0.25 N ATOM 242 CA VAL A 14 5.977 2.394 -0.919 1.00 0.37 C ATOM 243 C VAL A 14 6.755 1.971 0.317 1.00 0.45 C ATOM 244 O VAL A 14 7.935 2.288 0.465 1.00 0.52 O ATOM 245 CB VAL A 14 5.141 3.655 -0.625 1.00 0.53 C ATOM 246 CG1 VAL A 14 4.223 3.448 0.559 1.00 1.22 C ATOM 247 CG2 VAL A 14 6.038 4.862 -0.418 1.00 1.19 C ATOM 248 H VAL A 14 4.161 1.420 -1.386 1.00 0.26 H ATOM 249 HA VAL A 14 6.674 2.633 -1.696 1.00 0.39 H ATOM 250 HB VAL A 14 4.523 3.840 -1.483 1.00 1.03 H ATOM 251 HG11 VAL A 14 3.577 2.610 0.358 1.00 1.77 H ATOM 252 HG12 VAL A 14 3.630 4.335 0.716 1.00 1.79 H ATOM 253 HG13 VAL A 14 4.815 3.245 1.437 1.00 1.76 H ATOM 254 HG21 VAL A 14 6.703 4.676 0.410 1.00 1.76 H ATOM 255 HG22 VAL A 14 5.431 5.728 -0.208 1.00 1.72 H ATOM 256 HG23 VAL A 14 6.616 5.035 -1.313 1.00 1.78 H ATOM 257 N GLY A 15 6.082 1.230 1.181 1.00 0.54 N ATOM 258 CA GLY A 15 6.708 0.701 2.374 1.00 0.72 C ATOM 259 C GLY A 15 7.906 -0.161 2.052 1.00 0.76 C ATOM 260 O GLY A 15 8.966 0.001 2.642 1.00 0.91 O ATOM 261 H GLY A 15 5.132 1.053 1.007 1.00 0.53 H ATOM 262 HA2 GLY A 15 7.025 1.522 2.999 1.00 0.78 H ATOM 263 HA3 GLY A 15 5.986 0.107 2.914 1.00 0.85 H ATOM 264 N GLY A 16 7.738 -1.061 1.092 1.00 0.74 N ATOM 265 CA GLY A 16 8.822 -1.935 0.690 1.00 0.92 C ATOM 266 C GLY A 16 9.999 -1.181 0.101 1.00 0.95 C ATOM 267 O GLY A 16 11.152 -1.571 0.294 1.00 1.20 O ATOM 268 H GLY A 16 6.861 -1.144 0.659 1.00 0.67 H ATOM 269 HA2 GLY A 16 9.160 -2.488 1.554 1.00 1.10 H ATOM 270 HA3 GLY A 16 8.451 -2.632 -0.046 1.00 0.95 H ATOM 271 N MET A 17 9.716 -0.091 -0.608 1.00 0.82 N ATOM 272 CA MET A 17 10.767 0.699 -1.245 1.00 0.98 C ATOM 273 C MET A 17 11.597 1.424 -0.199 1.00 1.04 C ATOM 274 O MET A 17 12.823 1.466 -0.286 1.00 1.22 O ATOM 275 CB MET A 17 10.183 1.720 -2.226 1.00 1.03 C ATOM 276 CG MET A 17 9.326 1.101 -3.313 1.00 1.22 C ATOM 277 SD MET A 17 8.950 2.242 -4.665 1.00 1.89 S ATOM 278 CE MET A 17 8.034 3.521 -3.812 1.00 2.61 C ATOM 279 H MET A 17 8.780 0.190 -0.699 1.00 0.72 H ATOM 280 HA MET A 17 11.408 0.019 -1.786 1.00 1.18 H ATOM 281 HB2 MET A 17 9.579 2.425 -1.676 1.00 1.50 H ATOM 282 HB3 MET A 17 10.997 2.251 -2.697 1.00 1.56 H ATOM 283 HG2 MET A 17 9.844 0.247 -3.718 1.00 1.64 H ATOM 284 HG3 MET A 17 8.397 0.777 -2.867 1.00 1.77 H ATOM 285 HE1 MET A 17 7.868 4.352 -4.483 1.00 3.04 H ATOM 286 HE2 MET A 17 8.596 3.856 -2.954 1.00 3.03 H ATOM 287 HE3 MET A 17 7.084 3.127 -3.490 1.00 3.03 H ATOM 288 N LYS A 18 10.922 1.985 0.792 1.00 1.04 N ATOM 289 CA LYS A 18 11.598 2.735 1.845 1.00 1.24 C ATOM 290 C LYS A 18 12.092 1.811 2.959 1.00 1.56 C ATOM 291 O LYS A 18 12.739 2.259 3.906 1.00 2.01 O ATOM 292 CB LYS A 18 10.672 3.814 2.425 1.00 1.56 C ATOM 293 CG LYS A 18 9.389 3.271 3.037 1.00 2.04 C ATOM 294 CD LYS A 18 8.537 4.383 3.629 1.00 2.67 C ATOM 295 CE LYS A 18 7.276 3.839 4.283 1.00 3.27 C ATOM 296 NZ LYS A 18 6.530 4.893 5.018 1.00 3.89 N ATOM 297 H LYS A 18 9.941 1.901 0.808 1.00 1.02 H ATOM 298 HA LYS A 18 12.453 3.220 1.398 1.00 1.33 H ATOM 299 HB2 LYS A 18 11.209 4.351 3.191 1.00 2.01 H ATOM 300 HB3 LYS A 18 10.405 4.501 1.636 1.00 1.88 H ATOM 301 HG2 LYS A 18 8.822 2.767 2.269 1.00 2.29 H ATOM 302 HG3 LYS A 18 9.643 2.569 3.818 1.00 2.48 H ATOM 303 HD2 LYS A 18 9.116 4.908 4.373 1.00 3.05 H ATOM 304 HD3 LYS A 18 8.256 5.066 2.841 1.00 3.02 H ATOM 305 HE2 LYS A 18 6.635 3.431 3.516 1.00 3.60 H ATOM 306 HE3 LYS A 18 7.552 3.058 4.973 1.00 3.59 H ATOM 307 HZ1 LYS A 18 6.221 5.602 4.386 1.00 4.24 H ATOM 308 HZ2 LYS A 18 7.120 5.314 5.707 1.00 4.15 H ATOM 309 HZ3 LYS A 18 5.734 4.497 5.477 1.00 4.19 H ATOM 310 N ALA A 19 11.786 0.522 2.839 1.00 1.66 N ATOM 311 CA ALA A 19 12.195 -0.459 3.839 1.00 2.22 C ATOM 312 C ALA A 19 13.621 -0.935 3.592 1.00 2.97 C ATOM 313 O ALA A 19 14.331 -1.323 4.523 1.00 3.52 O ATOM 314 CB ALA A 19 11.243 -1.644 3.847 1.00 2.40 C ATOM 315 H ALA A 19 11.261 0.228 2.066 1.00 1.57 H ATOM 316 HA ALA A 19 12.147 0.015 4.806 1.00 2.48 H ATOM 317 HB1 ALA A 19 11.529 -2.331 4.629 1.00 2.69 H ATOM 318 HB2 ALA A 19 11.286 -2.147 2.892 1.00 2.74 H ATOM 319 HB3 ALA A 19 10.237 -1.295 4.026 1.00 2.70 H ATOM 320 N VAL A 20 14.038 -0.906 2.336 1.00 3.41 N ATOM 321 CA VAL A 20 15.376 -1.341 1.972 1.00 4.44 C ATOM 322 C VAL A 20 16.302 -0.144 1.774 1.00 5.14 C ATOM 323 O VAL A 20 17.034 0.201 2.728 1.00 5.65 O ATOM 324 CB VAL A 20 15.369 -2.243 0.714 1.00 4.95 C ATOM 325 CG1 VAL A 20 14.879 -3.635 1.072 1.00 5.47 C ATOM 326 CG2 VAL A 20 14.496 -1.654 -0.386 1.00 5.14 C ATOM 327 OXT VAL A 20 16.276 0.474 0.692 1.00 5.52 O ATOM 328 H VAL A 20 13.436 -0.574 1.638 1.00 3.24 H ATOM 329 HA VAL A 20 15.755 -1.928 2.797 1.00 4.72 H ATOM 330 HB VAL A 20 16.382 -2.322 0.342 1.00 5.28 H ATOM 331 HG11 VAL A 20 15.542 -4.073 1.804 1.00 5.70 H ATOM 332 HG12 VAL A 20 14.865 -4.251 0.184 1.00 5.79 H ATOM 333 HG13 VAL A 20 13.882 -3.571 1.482 1.00 5.70 H ATOM 334 HG21 VAL A 20 13.480 -1.567 -0.032 1.00 5.35 H ATOM 335 HG22 VAL A 20 14.520 -2.302 -1.251 1.00 5.36 H ATOM 336 HG23 VAL A 20 14.868 -0.679 -0.657 1.00 5.32 H TER 337 VAL A 20 ENDMDL MODEL 7 ATOM 1 N LYS A 1 -5.888 6.453 -0.189 1.00 1.55 N ATOM 2 CA LYS A 1 -6.473 5.095 -0.283 1.00 1.01 C ATOM 3 C LYS A 1 -6.056 4.247 0.912 1.00 0.98 C ATOM 4 O LYS A 1 -4.865 4.094 1.195 1.00 1.92 O ATOM 5 CB LYS A 1 -6.059 4.411 -1.594 1.00 0.98 C ATOM 6 CG LYS A 1 -4.563 4.447 -1.878 1.00 0.89 C ATOM 7 CD LYS A 1 -4.219 3.683 -3.148 1.00 1.56 C ATOM 8 CE LYS A 1 -2.764 3.881 -3.554 1.00 2.04 C ATOM 9 NZ LYS A 1 -2.511 5.246 -4.094 1.00 2.60 N ATOM 10 H1 LYS A 1 -4.890 6.398 -0.170 1.00 2.00 H ATOM 11 H2 LYS A 1 -6.196 6.901 0.649 1.00 1.96 H ATOM 12 H3 LYS A 1 -6.169 7.008 -0.970 1.00 1.89 H ATOM 13 HA LYS A 1 -7.549 5.197 -0.267 1.00 1.36 H ATOM 14 HB2 LYS A 1 -6.368 3.378 -1.555 1.00 1.48 H ATOM 15 HB3 LYS A 1 -6.569 4.894 -2.414 1.00 1.44 H ATOM 16 HG2 LYS A 1 -4.254 5.473 -1.992 1.00 1.25 H ATOM 17 HG3 LYS A 1 -4.039 4.001 -1.046 1.00 1.20 H ATOM 18 HD2 LYS A 1 -4.392 2.631 -2.982 1.00 2.12 H ATOM 19 HD3 LYS A 1 -4.855 4.032 -3.949 1.00 2.15 H ATOM 20 HE2 LYS A 1 -2.139 3.727 -2.688 1.00 2.47 H ATOM 21 HE3 LYS A 1 -2.514 3.152 -4.309 1.00 2.49 H ATOM 22 HZ1 LYS A 1 -3.047 5.391 -4.929 1.00 2.97 H ATOM 23 HZ2 LYS A 1 -1.543 5.356 -4.314 1.00 2.96 H ATOM 24 HZ3 LYS A 1 -2.766 5.940 -3.421 1.00 2.93 H ATOM 25 N ILE A 2 -7.042 3.711 1.616 1.00 0.89 N ATOM 26 CA ILE A 2 -6.794 2.878 2.783 1.00 1.07 C ATOM 27 C ILE A 2 -7.583 1.579 2.670 1.00 0.72 C ATOM 28 O ILE A 2 -7.014 0.498 2.456 1.00 0.78 O ATOM 29 CB ILE A 2 -7.208 3.585 4.093 1.00 1.69 C ATOM 30 CG1 ILE A 2 -6.584 4.978 4.185 1.00 2.06 C ATOM 31 CG2 ILE A 2 -6.803 2.742 5.296 1.00 2.45 C ATOM 32 CD1 ILE A 2 -7.069 5.779 5.372 1.00 2.60 C ATOM 33 H ILE A 2 -7.971 3.873 1.339 1.00 1.50 H ATOM 34 HA ILE A 2 -5.740 2.658 2.826 1.00 1.35 H ATOM 35 HB ILE A 2 -8.284 3.679 4.099 1.00 1.67 H ATOM 36 HG12 ILE A 2 -5.511 4.880 4.267 1.00 2.57 H ATOM 37 HG13 ILE A 2 -6.823 5.532 3.289 1.00 2.22 H ATOM 38 HG21 ILE A 2 -5.736 2.581 5.280 1.00 2.90 H ATOM 39 HG22 ILE A 2 -7.311 1.792 5.257 1.00 2.80 H ATOM 40 HG23 ILE A 2 -7.074 3.259 6.205 1.00 2.81 H ATOM 41 HD11 ILE A 2 -8.139 5.908 5.305 1.00 3.02 H ATOM 42 HD12 ILE A 2 -6.588 6.746 5.374 1.00 2.98 H ATOM 43 HD13 ILE A 2 -6.827 5.254 6.284 1.00 2.95 H ATOM 44 N LYS A 3 -8.906 1.723 2.768 1.00 0.49 N ATOM 45 CA LYS A 3 -9.837 0.596 2.751 1.00 0.34 C ATOM 46 C LYS A 3 -9.496 -0.365 1.624 1.00 0.24 C ATOM 47 O LYS A 3 -8.907 0.046 0.610 1.00 0.31 O ATOM 48 CB LYS A 3 -11.269 1.104 2.584 1.00 0.53 C ATOM 49 CG LYS A 3 -11.695 2.097 3.655 1.00 1.27 C ATOM 50 CD LYS A 3 -13.071 2.676 3.369 1.00 1.81 C ATOM 51 CE LYS A 3 -13.108 3.409 2.033 1.00 2.59 C ATOM 52 NZ LYS A 3 -14.432 4.029 1.774 1.00 3.26 N ATOM 53 H LYS A 3 -9.272 2.630 2.842 1.00 0.60 H ATOM 54 HA LYS A 3 -9.753 0.078 3.694 1.00 0.43 H ATOM 55 HB2 LYS A 3 -11.353 1.586 1.623 1.00 1.18 H ATOM 56 HB3 LYS A 3 -11.944 0.261 2.615 1.00 0.99 H ATOM 57 HG2 LYS A 3 -11.721 1.591 4.608 1.00 1.75 H ATOM 58 HG3 LYS A 3 -10.977 2.902 3.695 1.00 1.91 H ATOM 59 HD2 LYS A 3 -13.789 1.871 3.345 1.00 2.21 H ATOM 60 HD3 LYS A 3 -13.329 3.368 4.157 1.00 2.20 H ATOM 61 HE2 LYS A 3 -12.356 4.181 2.041 1.00 3.04 H ATOM 62 HE3 LYS A 3 -12.892 2.705 1.245 1.00 2.97 H ATOM 63 HZ1 LYS A 3 -14.435 4.466 0.871 1.00 3.57 H ATOM 64 HZ2 LYS A 3 -14.630 4.722 2.464 1.00 3.65 H ATOM 65 HZ3 LYS A 3 -15.150 3.334 1.799 1.00 3.61 H ATOM 66 N ILE A 4 -9.833 -1.647 1.807 1.00 0.22 N ATOM 67 CA ILE A 4 -9.475 -2.662 0.829 1.00 0.21 C ATOM 68 C ILE A 4 -7.947 -2.801 0.805 1.00 0.14 C ATOM 69 O ILE A 4 -7.231 -1.984 1.400 1.00 0.13 O ATOM 70 CB ILE A 4 -10.045 -2.252 -0.569 1.00 0.30 C ATOM 71 CG1 ILE A 4 -11.552 -2.521 -0.615 1.00 0.60 C ATOM 72 CG2 ILE A 4 -9.338 -2.936 -1.734 1.00 0.25 C ATOM 73 CD1 ILE A 4 -12.202 -2.118 -1.920 1.00 0.77 C ATOM 74 H ILE A 4 -10.318 -1.906 2.617 1.00 0.28 H ATOM 75 HA ILE A 4 -9.920 -3.600 1.129 1.00 0.30 H ATOM 76 HB ILE A 4 -9.891 -1.190 -0.680 1.00 0.46 H ATOM 77 HG12 ILE A 4 -11.728 -3.576 -0.470 1.00 0.68 H ATOM 78 HG13 ILE A 4 -12.032 -1.968 0.180 1.00 0.74 H ATOM 79 HG21 ILE A 4 -9.608 -2.446 -2.656 1.00 1.06 H ATOM 80 HG22 ILE A 4 -9.634 -3.970 -1.778 1.00 1.06 H ATOM 81 HG23 ILE A 4 -8.264 -2.868 -1.590 1.00 1.05 H ATOM 82 HD11 ILE A 4 -11.732 -2.649 -2.734 1.00 1.29 H ATOM 83 HD12 ILE A 4 -12.085 -1.055 -2.067 1.00 1.31 H ATOM 84 HD13 ILE A 4 -13.253 -2.364 -1.888 1.00 1.30 H ATOM 85 N PRO A 5 -7.395 -3.866 0.229 1.00 0.18 N ATOM 86 CA PRO A 5 -5.995 -3.856 -0.163 1.00 0.19 C ATOM 87 C PRO A 5 -5.650 -2.709 -1.132 1.00 0.17 C ATOM 88 O PRO A 5 -5.019 -2.930 -2.156 1.00 0.32 O ATOM 89 CB PRO A 5 -5.798 -5.216 -0.829 1.00 0.31 C ATOM 90 CG PRO A 5 -6.839 -6.086 -0.213 1.00 0.46 C ATOM 91 CD PRO A 5 -8.019 -5.190 0.034 1.00 0.29 C ATOM 92 HA PRO A 5 -5.359 -3.786 0.699 1.00 0.21 H ATOM 93 HB2 PRO A 5 -5.940 -5.123 -1.896 1.00 0.40 H ATOM 94 HB3 PRO A 5 -4.804 -5.582 -0.620 1.00 0.37 H ATOM 95 HG2 PRO A 5 -7.106 -6.879 -0.892 1.00 0.68 H ATOM 96 HG3 PRO A 5 -6.475 -6.492 0.720 1.00 0.67 H ATOM 97 HD2 PRO A 5 -8.673 -5.192 -0.821 1.00 0.31 H ATOM 98 HD3 PRO A 5 -8.551 -5.500 0.921 1.00 0.40 H ATOM 99 N TRP A 6 -6.067 -1.480 -0.809 1.00 0.14 N ATOM 100 CA TRP A 6 -5.602 -0.313 -1.526 1.00 0.22 C ATOM 101 C TRP A 6 -4.641 0.397 -0.616 1.00 0.24 C ATOM 102 O TRP A 6 -3.574 0.837 -1.029 1.00 0.35 O ATOM 103 CB TRP A 6 -6.739 0.632 -1.913 1.00 0.27 C ATOM 104 CG TRP A 6 -7.641 0.107 -2.985 1.00 0.31 C ATOM 105 CD1 TRP A 6 -9.000 0.045 -2.939 1.00 0.35 C ATOM 106 CD2 TRP A 6 -7.254 -0.420 -4.259 1.00 0.38 C ATOM 107 NE1 TRP A 6 -9.487 -0.491 -4.105 1.00 0.41 N ATOM 108 CE2 TRP A 6 -8.435 -0.785 -4.932 1.00 0.44 C ATOM 109 CE3 TRP A 6 -6.027 -0.619 -4.899 1.00 0.43 C ATOM 110 CZ2 TRP A 6 -8.424 -1.337 -6.210 1.00 0.53 C ATOM 111 CZ3 TRP A 6 -6.017 -1.167 -6.166 1.00 0.53 C ATOM 112 CH2 TRP A 6 -7.209 -1.521 -6.810 1.00 0.57 C ATOM 113 H TRP A 6 -6.686 -1.353 -0.033 1.00 0.20 H ATOM 114 HA TRP A 6 -5.079 -0.645 -2.413 1.00 0.27 H ATOM 115 HB2 TRP A 6 -7.345 0.829 -1.042 1.00 0.25 H ATOM 116 HB3 TRP A 6 -6.316 1.559 -2.265 1.00 0.34 H ATOM 117 HD1 TRP A 6 -9.592 0.368 -2.098 1.00 0.35 H ATOM 118 HE1 TRP A 6 -10.436 -0.640 -4.311 1.00 0.46 H ATOM 119 HE3 TRP A 6 -5.096 -0.353 -4.419 1.00 0.41 H ATOM 120 HZ2 TRP A 6 -9.334 -1.613 -6.722 1.00 0.59 H ATOM 121 HZ3 TRP A 6 -5.078 -1.329 -6.675 1.00 0.58 H ATOM 122 HH2 TRP A 6 -7.155 -1.947 -7.799 1.00 0.66 H ATOM 123 N GLY A 7 -5.040 0.485 0.644 1.00 0.20 N ATOM 124 CA GLY A 7 -4.143 0.955 1.674 1.00 0.27 C ATOM 125 C GLY A 7 -3.071 -0.062 1.980 1.00 0.23 C ATOM 126 O GLY A 7 -1.922 0.299 2.238 1.00 0.31 O ATOM 127 H GLY A 7 -5.977 0.243 0.877 1.00 0.19 H ATOM 128 HA2 GLY A 7 -3.678 1.873 1.348 1.00 0.34 H ATOM 129 HA3 GLY A 7 -4.709 1.144 2.572 1.00 0.31 H ATOM 130 N LYS A 8 -3.434 -1.344 1.936 1.00 0.15 N ATOM 131 CA LYS A 8 -2.481 -2.397 2.198 1.00 0.18 C ATOM 132 C LYS A 8 -1.499 -2.539 1.036 1.00 0.16 C ATOM 133 O LYS A 8 -0.293 -2.664 1.251 1.00 0.22 O ATOM 134 CB LYS A 8 -3.218 -3.704 2.465 1.00 0.23 C ATOM 135 CG LYS A 8 -2.326 -4.920 2.469 1.00 1.19 C ATOM 136 CD LYS A 8 -1.293 -4.867 3.583 1.00 1.71 C ATOM 137 CE LYS A 8 -0.407 -6.104 3.579 1.00 2.35 C ATOM 138 NZ LYS A 8 0.375 -6.232 2.319 1.00 2.94 N ATOM 139 H LYS A 8 -4.366 -1.588 1.726 1.00 0.14 H ATOM 140 HA LYS A 8 -1.926 -2.123 3.083 1.00 0.24 H ATOM 141 HB2 LYS A 8 -3.704 -3.642 3.427 1.00 0.89 H ATOM 142 HB3 LYS A 8 -3.963 -3.840 1.707 1.00 0.94 H ATOM 143 HG2 LYS A 8 -2.938 -5.796 2.595 1.00 1.93 H ATOM 144 HG3 LYS A 8 -1.820 -4.962 1.520 1.00 1.83 H ATOM 145 HD2 LYS A 8 -0.673 -3.993 3.446 1.00 2.15 H ATOM 146 HD3 LYS A 8 -1.804 -4.804 4.533 1.00 2.21 H ATOM 147 HE2 LYS A 8 0.278 -6.043 4.410 1.00 2.75 H ATOM 148 HE3 LYS A 8 -1.033 -6.976 3.693 1.00 2.81 H ATOM 149 HZ1 LYS A 8 0.881 -7.096 2.317 1.00 3.31 H ATOM 150 HZ2 LYS A 8 1.027 -5.481 2.238 1.00 3.26 H ATOM 151 HZ3 LYS A 8 -0.236 -6.215 1.529 1.00 3.29 H ATOM 152 N VAL A 9 -2.003 -2.507 -0.198 1.00 0.13 N ATOM 153 CA VAL A 9 -1.123 -2.522 -1.359 1.00 0.16 C ATOM 154 C VAL A 9 -0.303 -1.237 -1.403 1.00 0.15 C ATOM 155 O VAL A 9 0.875 -1.258 -1.754 1.00 0.18 O ATOM 156 CB VAL A 9 -1.898 -2.724 -2.683 1.00 0.19 C ATOM 157 CG1 VAL A 9 -1.022 -2.419 -3.890 1.00 0.26 C ATOM 158 CG2 VAL A 9 -2.417 -4.150 -2.769 1.00 0.22 C ATOM 159 H VAL A 9 -2.975 -2.476 -0.329 1.00 0.13 H ATOM 160 HA VAL A 9 -0.443 -3.354 -1.238 1.00 0.20 H ATOM 161 HB VAL A 9 -2.744 -2.053 -2.693 1.00 0.19 H ATOM 162 HG11 VAL A 9 -0.696 -1.391 -3.846 1.00 1.05 H ATOM 163 HG12 VAL A 9 -1.589 -2.579 -4.794 1.00 1.04 H ATOM 164 HG13 VAL A 9 -0.162 -3.072 -3.883 1.00 1.05 H ATOM 165 HG21 VAL A 9 -3.080 -4.343 -1.939 1.00 1.03 H ATOM 166 HG22 VAL A 9 -1.586 -4.838 -2.735 1.00 1.06 H ATOM 167 HG23 VAL A 9 -2.955 -4.280 -3.696 1.00 1.04 H ATOM 168 N LYS A 10 -0.921 -0.123 -1.017 1.00 0.19 N ATOM 169 CA LYS A 10 -0.187 1.136 -0.871 1.00 0.26 C ATOM 170 C LYS A 10 1.007 0.948 0.060 1.00 0.19 C ATOM 171 O LYS A 10 2.131 1.314 -0.278 1.00 0.18 O ATOM 172 CB LYS A 10 -1.089 2.239 -0.312 1.00 0.40 C ATOM 173 CG LYS A 10 -0.394 3.587 -0.176 1.00 0.53 C ATOM 174 CD LYS A 10 -1.248 4.585 0.592 1.00 1.08 C ATOM 175 CE LYS A 10 -1.418 4.175 2.047 1.00 1.79 C ATOM 176 NZ LYS A 10 -2.255 5.143 2.799 1.00 2.56 N ATOM 177 H LYS A 10 -1.897 -0.144 -0.851 1.00 0.20 H ATOM 178 HA LYS A 10 0.170 1.430 -1.846 1.00 0.32 H ATOM 179 HB2 LYS A 10 -1.938 2.361 -0.969 1.00 0.48 H ATOM 180 HB3 LYS A 10 -1.440 1.938 0.663 1.00 0.43 H ATOM 181 HG2 LYS A 10 0.538 3.447 0.351 1.00 1.00 H ATOM 182 HG3 LYS A 10 -0.196 3.980 -1.162 1.00 1.00 H ATOM 183 HD2 LYS A 10 -0.772 5.555 0.556 1.00 1.54 H ATOM 184 HD3 LYS A 10 -2.221 4.643 0.127 1.00 1.45 H ATOM 185 HE2 LYS A 10 -1.888 3.205 2.082 1.00 2.13 H ATOM 186 HE3 LYS A 10 -0.442 4.118 2.508 1.00 2.18 H ATOM 187 HZ1 LYS A 10 -2.344 4.850 3.753 1.00 2.94 H ATOM 188 HZ2 LYS A 10 -3.166 5.199 2.396 1.00 2.91 H ATOM 189 HZ3 LYS A 10 -1.836 6.050 2.779 1.00 2.98 H ATOM 190 N ASP A 11 0.748 0.364 1.230 1.00 0.21 N ATOM 191 CA ASP A 11 1.790 0.104 2.221 1.00 0.26 C ATOM 192 C ASP A 11 2.879 -0.785 1.640 1.00 0.19 C ATOM 193 O ASP A 11 4.066 -0.585 1.896 1.00 0.25 O ATOM 194 CB ASP A 11 1.187 -0.562 3.461 1.00 0.40 C ATOM 195 CG ASP A 11 2.219 -0.849 4.537 1.00 0.79 C ATOM 196 OD1 ASP A 11 2.676 -2.007 4.635 1.00 1.29 O ATOM 197 OD2 ASP A 11 2.600 0.089 5.273 1.00 0.82 O ATOM 198 H ASP A 11 -0.176 0.101 1.433 1.00 0.24 H ATOM 199 HA ASP A 11 2.225 1.049 2.506 1.00 0.33 H ATOM 200 HB2 ASP A 11 0.434 0.088 3.879 1.00 0.52 H ATOM 201 HB3 ASP A 11 0.728 -1.496 3.171 1.00 0.62 H ATOM 202 N PHE A 12 2.465 -1.757 0.840 1.00 0.17 N ATOM 203 CA PHE A 12 3.387 -2.689 0.208 1.00 0.23 C ATOM 204 C PHE A 12 4.291 -1.948 -0.771 1.00 0.20 C ATOM 205 O PHE A 12 5.491 -2.201 -0.848 1.00 0.31 O ATOM 206 CB PHE A 12 2.594 -3.783 -0.518 1.00 0.30 C ATOM 207 CG PHE A 12 3.442 -4.882 -1.095 1.00 0.44 C ATOM 208 CD1 PHE A 12 3.797 -5.973 -0.320 1.00 0.60 C ATOM 209 CD2 PHE A 12 3.871 -4.831 -2.412 1.00 0.49 C ATOM 210 CE1 PHE A 12 4.567 -6.991 -0.846 1.00 0.74 C ATOM 211 CE2 PHE A 12 4.643 -5.845 -2.942 1.00 0.64 C ATOM 212 CZ PHE A 12 4.990 -6.928 -2.158 1.00 0.75 C ATOM 213 H PHE A 12 1.504 -1.849 0.663 1.00 0.19 H ATOM 214 HA PHE A 12 3.993 -3.139 0.978 1.00 0.30 H ATOM 215 HB2 PHE A 12 1.903 -4.234 0.177 1.00 0.36 H ATOM 216 HB3 PHE A 12 2.038 -3.334 -1.328 1.00 0.27 H ATOM 217 HD1 PHE A 12 3.469 -6.023 0.707 1.00 0.66 H ATOM 218 HD2 PHE A 12 3.598 -3.984 -3.026 1.00 0.49 H ATOM 219 HE1 PHE A 12 4.836 -7.836 -0.231 1.00 0.89 H ATOM 220 HE2 PHE A 12 4.974 -5.793 -3.969 1.00 0.72 H ATOM 221 HZ PHE A 12 5.592 -7.724 -2.571 1.00 0.88 H ATOM 222 N LEU A 13 3.698 -1.018 -1.502 1.00 0.14 N ATOM 223 CA LEU A 13 4.420 -0.237 -2.493 1.00 0.21 C ATOM 224 C LEU A 13 5.340 0.785 -1.831 1.00 0.23 C ATOM 225 O LEU A 13 6.557 0.755 -2.024 1.00 0.33 O ATOM 226 CB LEU A 13 3.427 0.473 -3.412 1.00 0.28 C ATOM 227 CG LEU A 13 2.516 -0.451 -4.222 1.00 0.36 C ATOM 228 CD1 LEU A 13 1.472 0.356 -4.972 1.00 0.47 C ATOM 229 CD2 LEU A 13 3.331 -1.295 -5.188 1.00 0.46 C ATOM 230 H LEU A 13 2.737 -0.856 -1.377 1.00 0.15 H ATOM 231 HA LEU A 13 5.018 -0.917 -3.080 1.00 0.29 H ATOM 232 HB2 LEU A 13 2.805 1.116 -2.807 1.00 0.28 H ATOM 233 HB3 LEU A 13 3.983 1.084 -4.101 1.00 0.35 H ATOM 234 HG LEU A 13 1.999 -1.119 -3.547 1.00 0.32 H ATOM 235 HD11 LEU A 13 0.866 -0.307 -5.573 1.00 1.14 H ATOM 236 HD12 LEU A 13 1.965 1.071 -5.612 1.00 1.14 H ATOM 237 HD13 LEU A 13 0.843 0.877 -4.265 1.00 1.12 H ATOM 238 HD21 LEU A 13 2.668 -1.920 -5.767 1.00 1.13 H ATOM 239 HD22 LEU A 13 4.018 -1.918 -4.633 1.00 1.12 H ATOM 240 HD23 LEU A 13 3.886 -0.649 -5.850 1.00 1.13 H ATOM 241 N VAL A 14 4.754 1.675 -1.041 1.00 0.25 N ATOM 242 CA VAL A 14 5.496 2.758 -0.411 1.00 0.37 C ATOM 243 C VAL A 14 6.517 2.214 0.586 1.00 0.45 C ATOM 244 O VAL A 14 7.637 2.723 0.699 1.00 0.52 O ATOM 245 CB VAL A 14 4.536 3.747 0.284 1.00 0.53 C ATOM 246 CG1 VAL A 14 3.955 3.166 1.556 1.00 1.22 C ATOM 247 CG2 VAL A 14 5.224 5.071 0.553 1.00 1.19 C ATOM 248 H VAL A 14 3.787 1.604 -0.873 1.00 0.26 H ATOM 249 HA VAL A 14 6.018 3.291 -1.182 1.00 0.39 H ATOM 250 HB VAL A 14 3.718 3.926 -0.387 1.00 1.03 H ATOM 251 HG11 VAL A 14 3.310 3.892 2.024 1.00 1.77 H ATOM 252 HG12 VAL A 14 4.759 2.909 2.226 1.00 1.79 H ATOM 253 HG13 VAL A 14 3.391 2.280 1.316 1.00 1.76 H ATOM 254 HG21 VAL A 14 5.544 5.504 -0.382 1.00 1.76 H ATOM 255 HG22 VAL A 14 6.082 4.907 1.187 1.00 1.72 H ATOM 256 HG23 VAL A 14 4.535 5.741 1.044 1.00 1.78 H ATOM 257 N GLY A 15 6.125 1.170 1.291 1.00 0.54 N ATOM 258 CA GLY A 15 7.018 0.523 2.230 1.00 0.72 C ATOM 259 C GLY A 15 8.105 -0.262 1.528 1.00 0.76 C ATOM 260 O GLY A 15 9.278 -0.155 1.877 1.00 0.91 O ATOM 261 H GLY A 15 5.200 0.847 1.184 1.00 0.53 H ATOM 262 HA2 GLY A 15 7.475 1.275 2.854 1.00 0.78 H ATOM 263 HA3 GLY A 15 6.446 -0.151 2.851 1.00 0.85 H ATOM 264 N GLY A 16 7.719 -1.023 0.513 1.00 0.74 N ATOM 265 CA GLY A 16 8.666 -1.861 -0.196 1.00 0.92 C ATOM 266 C GLY A 16 9.732 -1.070 -0.931 1.00 0.95 C ATOM 267 O GLY A 16 10.841 -1.560 -1.136 1.00 1.20 O ATOM 268 H GLY A 16 6.774 -1.023 0.244 1.00 0.67 H ATOM 269 HA2 GLY A 16 9.149 -2.515 0.513 1.00 1.10 H ATOM 270 HA3 GLY A 16 8.127 -2.464 -0.911 1.00 0.95 H ATOM 271 N MET A 17 9.407 0.156 -1.331 1.00 0.82 N ATOM 272 CA MET A 17 10.353 0.972 -2.084 1.00 0.98 C ATOM 273 C MET A 17 11.372 1.634 -1.162 1.00 1.04 C ATOM 274 O MET A 17 12.473 1.972 -1.594 1.00 1.22 O ATOM 275 CB MET A 17 9.633 2.033 -2.924 1.00 1.03 C ATOM 276 CG MET A 17 8.960 3.128 -2.112 1.00 1.22 C ATOM 277 SD MET A 17 8.179 4.382 -3.149 1.00 1.89 S ATOM 278 CE MET A 17 9.603 5.045 -4.016 1.00 2.61 C ATOM 279 H MET A 17 8.514 0.509 -1.126 1.00 0.72 H ATOM 280 HA MET A 17 10.884 0.309 -2.751 1.00 1.18 H ATOM 281 HB2 MET A 17 10.351 2.498 -3.581 1.00 1.50 H ATOM 282 HB3 MET A 17 8.877 1.546 -3.521 1.00 1.56 H ATOM 283 HG2 MET A 17 8.205 2.679 -1.485 1.00 1.64 H ATOM 284 HG3 MET A 17 9.703 3.606 -1.492 1.00 1.77 H ATOM 285 HE1 MET A 17 10.065 4.265 -4.600 1.00 3.04 H ATOM 286 HE2 MET A 17 10.315 5.428 -3.301 1.00 3.03 H ATOM 287 HE3 MET A 17 9.285 5.844 -4.670 1.00 3.03 H ATOM 288 N LYS A 18 11.015 1.830 0.102 1.00 1.04 N ATOM 289 CA LYS A 18 11.950 2.417 1.055 1.00 1.24 C ATOM 290 C LYS A 18 12.697 1.327 1.816 1.00 1.56 C ATOM 291 O LYS A 18 13.846 1.510 2.215 1.00 2.01 O ATOM 292 CB LYS A 18 11.240 3.360 2.033 1.00 1.56 C ATOM 293 CG LYS A 18 10.145 2.699 2.856 1.00 2.04 C ATOM 294 CD LYS A 18 9.698 3.584 4.011 1.00 2.67 C ATOM 295 CE LYS A 18 9.162 4.922 3.530 1.00 3.27 C ATOM 296 NZ LYS A 18 7.945 4.768 2.689 1.00 3.89 N ATOM 297 H LYS A 18 10.113 1.577 0.397 1.00 1.02 H ATOM 298 HA LYS A 18 12.671 2.988 0.487 1.00 1.33 H ATOM 299 HB2 LYS A 18 11.971 3.766 2.714 1.00 2.01 H ATOM 300 HB3 LYS A 18 10.797 4.169 1.472 1.00 1.88 H ATOM 301 HG2 LYS A 18 9.297 2.505 2.217 1.00 2.29 H ATOM 302 HG3 LYS A 18 10.520 1.767 3.252 1.00 2.48 H ATOM 303 HD2 LYS A 18 8.920 3.076 4.560 1.00 3.05 H ATOM 304 HD3 LYS A 18 10.543 3.759 4.663 1.00 3.02 H ATOM 305 HE2 LYS A 18 8.918 5.528 4.390 1.00 3.60 H ATOM 306 HE3 LYS A 18 9.928 5.415 2.950 1.00 3.59 H ATOM 307 HZ1 LYS A 18 7.238 4.272 3.193 1.00 4.24 H ATOM 308 HZ2 LYS A 18 8.161 4.263 1.853 1.00 4.15 H ATOM 309 HZ3 LYS A 18 7.590 5.669 2.435 1.00 4.19 H ATOM 310 N ALA A 19 12.049 0.185 2.002 1.00 1.66 N ATOM 311 CA ALA A 19 12.664 -0.938 2.696 1.00 2.22 C ATOM 312 C ALA A 19 13.490 -1.780 1.730 1.00 2.97 C ATOM 313 O ALA A 19 13.277 -2.983 1.592 1.00 3.52 O ATOM 314 CB ALA A 19 11.603 -1.788 3.379 1.00 2.40 C ATOM 315 H ALA A 19 11.128 0.094 1.669 1.00 1.57 H ATOM 316 HA ALA A 19 13.319 -0.538 3.458 1.00 2.48 H ATOM 317 HB1 ALA A 19 10.938 -2.202 2.634 1.00 2.69 H ATOM 318 HB2 ALA A 19 11.037 -1.177 4.065 1.00 2.74 H ATOM 319 HB3 ALA A 19 12.080 -2.591 3.920 1.00 2.70 H ATOM 320 N VAL A 20 14.427 -1.137 1.059 1.00 3.41 N ATOM 321 CA VAL A 20 15.300 -1.821 0.121 1.00 4.44 C ATOM 322 C VAL A 20 16.697 -1.980 0.709 1.00 5.14 C ATOM 323 O VAL A 20 17.501 -1.030 0.622 1.00 5.65 O ATOM 324 CB VAL A 20 15.368 -1.088 -1.240 1.00 4.95 C ATOM 325 CG1 VAL A 20 14.159 -1.443 -2.092 1.00 5.47 C ATOM 326 CG2 VAL A 20 15.443 0.422 -1.045 1.00 5.14 C ATOM 327 OXT VAL A 20 16.974 -3.044 1.296 1.00 5.52 O ATOM 328 H VAL A 20 14.545 -0.174 1.206 1.00 3.24 H ATOM 329 HA VAL A 20 14.887 -2.806 -0.049 1.00 4.72 H ATOM 330 HB VAL A 20 16.257 -1.410 -1.760 1.00 5.28 H ATOM 331 HG11 VAL A 20 14.225 -0.933 -3.040 1.00 5.70 H ATOM 332 HG12 VAL A 20 13.256 -1.139 -1.581 1.00 5.79 H ATOM 333 HG13 VAL A 20 14.137 -2.509 -2.258 1.00 5.70 H ATOM 334 HG21 VAL A 20 14.544 0.769 -0.556 1.00 5.35 H ATOM 335 HG22 VAL A 20 15.539 0.905 -2.006 1.00 5.36 H ATOM 336 HG23 VAL A 20 16.300 0.664 -0.435 1.00 5.32 H TER 337 VAL A 20 ENDMDL MODEL 8 ATOM 1 N LYS A 1 -6.291 6.609 0.443 1.00 1.55 N ATOM 2 CA LYS A 1 -6.770 5.221 0.261 1.00 1.01 C ATOM 3 C LYS A 1 -6.227 4.306 1.357 1.00 0.98 C ATOM 4 O LYS A 1 -5.015 4.220 1.574 1.00 1.92 O ATOM 5 CB LYS A 1 -6.394 4.673 -1.133 1.00 0.98 C ATOM 6 CG LYS A 1 -4.900 4.676 -1.457 1.00 0.89 C ATOM 7 CD LYS A 1 -4.421 6.044 -1.921 1.00 1.56 C ATOM 8 CE LYS A 1 -2.939 6.039 -2.259 1.00 2.04 C ATOM 9 NZ LYS A 1 -2.462 7.384 -2.675 1.00 2.60 N ATOM 10 H1 LYS A 1 -6.657 6.987 1.295 1.00 2.00 H ATOM 11 H2 LYS A 1 -6.591 7.183 -0.316 1.00 1.96 H ATOM 12 H3 LYS A 1 -5.293 6.625 0.488 1.00 1.89 H ATOM 13 HA LYS A 1 -7.847 5.236 0.344 1.00 1.36 H ATOM 14 HB2 LYS A 1 -6.747 3.657 -1.206 1.00 1.48 H ATOM 15 HB3 LYS A 1 -6.900 5.267 -1.879 1.00 1.44 H ATOM 16 HG2 LYS A 1 -4.351 4.398 -0.571 1.00 1.25 H ATOM 17 HG3 LYS A 1 -4.714 3.955 -2.239 1.00 1.20 H ATOM 18 HD2 LYS A 1 -4.977 6.328 -2.802 1.00 2.12 H ATOM 19 HD3 LYS A 1 -4.599 6.763 -1.136 1.00 2.15 H ATOM 20 HE2 LYS A 1 -2.385 5.724 -1.388 1.00 2.47 H ATOM 21 HE3 LYS A 1 -2.767 5.341 -3.065 1.00 2.49 H ATOM 22 HZ1 LYS A 1 -1.483 7.356 -2.876 1.00 2.97 H ATOM 23 HZ2 LYS A 1 -2.617 8.049 -1.944 1.00 2.96 H ATOM 24 HZ3 LYS A 1 -2.952 7.687 -3.493 1.00 2.93 H ATOM 25 N ILE A 2 -7.140 3.641 2.052 1.00 0.89 N ATOM 26 CA ILE A 2 -6.795 2.701 3.109 1.00 1.07 C ATOM 27 C ILE A 2 -7.594 1.416 2.926 1.00 0.72 C ATOM 28 O ILE A 2 -7.028 0.348 2.634 1.00 0.78 O ATOM 29 CB ILE A 2 -7.082 3.283 4.515 1.00 1.69 C ATOM 30 CG1 ILE A 2 -6.232 4.528 4.775 1.00 2.06 C ATOM 31 CG2 ILE A 2 -6.830 2.235 5.594 1.00 2.45 C ATOM 32 CD1 ILE A 2 -4.744 4.253 4.823 1.00 2.60 C ATOM 33 H ILE A 2 -8.089 3.774 1.834 1.00 1.50 H ATOM 34 HA ILE A 2 -5.741 2.481 3.034 1.00 1.35 H ATOM 35 HB ILE A 2 -8.126 3.555 4.556 1.00 1.67 H ATOM 36 HG12 ILE A 2 -6.409 5.246 3.986 1.00 2.57 H ATOM 37 HG13 ILE A 2 -6.521 4.962 5.720 1.00 2.22 H ATOM 38 HG21 ILE A 2 -7.475 1.384 5.426 1.00 2.90 H ATOM 39 HG22 ILE A 2 -7.040 2.659 6.564 1.00 2.80 H ATOM 40 HG23 ILE A 2 -5.798 1.918 5.553 1.00 2.81 H ATOM 41 HD11 ILE A 2 -4.212 5.177 4.990 1.00 3.02 H ATOM 42 HD12 ILE A 2 -4.426 3.821 3.885 1.00 2.98 H ATOM 43 HD13 ILE A 2 -4.531 3.565 5.627 1.00 2.95 H ATOM 44 N LYS A 3 -8.919 1.552 3.050 1.00 0.49 N ATOM 45 CA LYS A 3 -9.849 0.429 2.941 1.00 0.34 C ATOM 46 C LYS A 3 -9.525 -0.414 1.721 1.00 0.24 C ATOM 47 O LYS A 3 -8.916 0.088 0.760 1.00 0.31 O ATOM 48 CB LYS A 3 -11.290 0.937 2.848 1.00 0.53 C ATOM 49 CG LYS A 3 -11.717 1.774 4.042 1.00 1.27 C ATOM 50 CD LYS A 3 -13.113 2.342 3.852 1.00 1.81 C ATOM 51 CE LYS A 3 -13.491 3.270 4.996 1.00 2.59 C ATOM 52 NZ LYS A 3 -14.846 3.855 4.821 1.00 3.26 N ATOM 53 H LYS A 3 -9.285 2.449 3.205 1.00 0.60 H ATOM 54 HA LYS A 3 -9.745 -0.180 3.825 1.00 0.43 H ATOM 55 HB2 LYS A 3 -11.391 1.541 1.958 1.00 1.18 H ATOM 56 HB3 LYS A 3 -11.953 0.089 2.773 1.00 0.99 H ATOM 57 HG2 LYS A 3 -11.711 1.153 4.924 1.00 1.75 H ATOM 58 HG3 LYS A 3 -11.020 2.588 4.167 1.00 1.91 H ATOM 59 HD2 LYS A 3 -13.144 2.896 2.927 1.00 2.21 H ATOM 60 HD3 LYS A 3 -13.821 1.528 3.813 1.00 2.20 H ATOM 61 HE2 LYS A 3 -13.468 2.709 5.918 1.00 3.04 H ATOM 62 HE3 LYS A 3 -12.766 4.070 5.047 1.00 2.97 H ATOM 63 HZ1 LYS A 3 -15.041 4.499 5.563 1.00 3.57 H ATOM 64 HZ2 LYS A 3 -15.537 3.134 4.835 1.00 3.65 H ATOM 65 HZ3 LYS A 3 -14.905 4.338 3.948 1.00 3.61 H ATOM 66 N ILE A 4 -9.905 -1.694 1.763 1.00 0.22 N ATOM 67 CA ILE A 4 -9.550 -2.616 0.698 1.00 0.21 C ATOM 68 C ILE A 4 -8.028 -2.815 0.720 1.00 0.14 C ATOM 69 O ILE A 4 -7.308 -2.093 1.425 1.00 0.13 O ATOM 70 CB ILE A 4 -10.042 -2.029 -0.663 1.00 0.30 C ATOM 71 CG1 ILE A 4 -11.568 -2.117 -0.748 1.00 0.60 C ATOM 72 CG2 ILE A 4 -9.393 -2.693 -1.872 1.00 0.25 C ATOM 73 CD1 ILE A 4 -12.149 -1.486 -1.993 1.00 0.77 C ATOM 74 H ILE A 4 -10.432 -2.017 2.521 1.00 0.28 H ATOM 75 HA ILE A 4 -10.042 -3.560 0.877 1.00 0.30 H ATOM 76 HB ILE A 4 -9.763 -0.987 -0.683 1.00 0.46 H ATOM 77 HG12 ILE A 4 -11.863 -3.154 -0.737 1.00 0.68 H ATOM 78 HG13 ILE A 4 -11.998 -1.618 0.110 1.00 0.74 H ATOM 79 HG21 ILE A 4 -9.781 -3.691 -1.987 1.00 1.06 H ATOM 80 HG22 ILE A 4 -8.318 -2.736 -1.722 1.00 1.06 H ATOM 81 HG23 ILE A 4 -9.607 -2.114 -2.758 1.00 1.05 H ATOM 82 HD11 ILE A 4 -13.225 -1.577 -1.977 1.00 1.29 H ATOM 83 HD12 ILE A 4 -11.758 -1.986 -2.867 1.00 1.31 H ATOM 84 HD13 ILE A 4 -11.877 -0.441 -2.026 1.00 1.30 H ATOM 85 N PRO A 5 -7.490 -3.830 0.049 1.00 0.18 N ATOM 86 CA PRO A 5 -6.079 -3.819 -0.295 1.00 0.19 C ATOM 87 C PRO A 5 -5.694 -2.602 -1.156 1.00 0.17 C ATOM 88 O PRO A 5 -5.013 -2.747 -2.164 1.00 0.32 O ATOM 89 CB PRO A 5 -5.882 -5.118 -1.075 1.00 0.31 C ATOM 90 CG PRO A 5 -6.984 -6.009 -0.618 1.00 0.46 C ATOM 91 CD PRO A 5 -8.144 -5.106 -0.310 1.00 0.29 C ATOM 92 HA PRO A 5 -5.469 -3.833 0.591 1.00 0.21 H ATOM 93 HB2 PRO A 5 -5.946 -4.919 -2.135 1.00 0.40 H ATOM 94 HB3 PRO A 5 -4.914 -5.534 -0.839 1.00 0.37 H ATOM 95 HG2 PRO A 5 -7.247 -6.702 -1.403 1.00 0.68 H ATOM 96 HG3 PRO A 5 -6.681 -6.545 0.269 1.00 0.67 H ATOM 97 HD2 PRO A 5 -8.770 -4.990 -1.179 1.00 0.31 H ATOM 98 HD3 PRO A 5 -8.715 -5.492 0.520 1.00 0.40 H ATOM 99 N TRP A 6 -6.134 -1.399 -0.760 1.00 0.14 N ATOM 100 CA TRP A 6 -5.657 -0.183 -1.382 1.00 0.22 C ATOM 101 C TRP A 6 -4.643 0.402 -0.451 1.00 0.24 C ATOM 102 O TRP A 6 -3.539 0.742 -0.850 1.00 0.35 O ATOM 103 CB TRP A 6 -6.772 0.836 -1.629 1.00 0.27 C ATOM 104 CG TRP A 6 -7.672 0.501 -2.774 1.00 0.31 C ATOM 105 CD1 TRP A 6 -9.031 0.446 -2.748 1.00 0.35 C ATOM 106 CD2 TRP A 6 -7.281 0.185 -4.116 1.00 0.38 C ATOM 107 NE1 TRP A 6 -9.514 0.104 -3.986 1.00 0.41 N ATOM 108 CE2 TRP A 6 -8.461 -0.059 -4.844 1.00 0.44 C ATOM 109 CE3 TRP A 6 -6.050 0.081 -4.773 1.00 0.43 C ATOM 110 CZ2 TRP A 6 -8.445 -0.397 -6.193 1.00 0.53 C ATOM 111 CZ3 TRP A 6 -6.037 -0.254 -6.111 1.00 0.53 C ATOM 112 CH2 TRP A 6 -7.229 -0.491 -6.809 1.00 0.57 C ATOM 113 H TRP A 6 -6.764 -1.329 0.012 1.00 0.20 H ATOM 114 HA TRP A 6 -5.181 -0.442 -2.316 1.00 0.27 H ATOM 115 HB2 TRP A 6 -7.381 0.910 -0.742 1.00 0.25 H ATOM 116 HB3 TRP A 6 -6.325 1.799 -1.830 1.00 0.34 H ATOM 117 HD1 TRP A 6 -9.628 0.636 -1.869 1.00 0.35 H ATOM 118 HE1 TRP A 6 -10.464 -0.002 -4.219 1.00 0.46 H ATOM 119 HE3 TRP A 6 -5.122 0.261 -4.251 1.00 0.41 H ATOM 120 HZ2 TRP A 6 -9.356 -0.583 -6.745 1.00 0.59 H ATOM 121 HZ3 TRP A 6 -5.096 -0.340 -6.636 1.00 0.58 H ATOM 122 HH2 TRP A 6 -7.172 -0.753 -7.854 1.00 0.66 H ATOM 123 N GLY A 7 -5.032 0.485 0.812 1.00 0.20 N ATOM 124 CA GLY A 7 -4.098 0.851 1.848 1.00 0.27 C ATOM 125 C GLY A 7 -3.059 -0.224 2.054 1.00 0.23 C ATOM 126 O GLY A 7 -1.888 0.074 2.294 1.00 0.31 O ATOM 127 H GLY A 7 -5.984 0.302 1.042 1.00 0.19 H ATOM 128 HA2 GLY A 7 -3.606 1.772 1.573 1.00 0.34 H ATOM 129 HA3 GLY A 7 -4.634 0.998 2.772 1.00 0.31 H ATOM 130 N LYS A 8 -3.482 -1.485 1.940 1.00 0.15 N ATOM 131 CA LYS A 8 -2.561 -2.601 2.126 1.00 0.18 C ATOM 132 C LYS A 8 -1.523 -2.641 1.010 1.00 0.16 C ATOM 133 O LYS A 8 -0.322 -2.707 1.276 1.00 0.22 O ATOM 134 CB LYS A 8 -3.312 -3.932 2.195 1.00 0.23 C ATOM 135 CG LYS A 8 -4.317 -4.007 3.334 1.00 1.19 C ATOM 136 CD LYS A 8 -3.650 -3.772 4.681 1.00 1.71 C ATOM 137 CE LYS A 8 -4.640 -3.878 5.827 1.00 2.35 C ATOM 138 NZ LYS A 8 -4.005 -3.585 7.139 1.00 2.94 N ATOM 139 H LYS A 8 -4.435 -1.664 1.733 1.00 0.14 H ATOM 140 HA LYS A 8 -2.048 -2.444 3.062 1.00 0.24 H ATOM 141 HB2 LYS A 8 -3.834 -4.085 1.265 1.00 0.89 H ATOM 142 HB3 LYS A 8 -2.593 -4.728 2.327 1.00 0.94 H ATOM 143 HG2 LYS A 8 -5.076 -3.255 3.182 1.00 1.93 H ATOM 144 HG3 LYS A 8 -4.773 -4.987 3.334 1.00 1.83 H ATOM 145 HD2 LYS A 8 -2.872 -4.508 4.821 1.00 2.15 H ATOM 146 HD3 LYS A 8 -3.216 -2.783 4.685 1.00 2.21 H ATOM 147 HE2 LYS A 8 -5.441 -3.175 5.660 1.00 2.75 H ATOM 148 HE3 LYS A 8 -5.041 -4.881 5.846 1.00 2.81 H ATOM 149 HZ1 LYS A 8 -3.668 -2.643 7.157 1.00 3.31 H ATOM 150 HZ2 LYS A 8 -3.236 -4.203 7.295 1.00 3.26 H ATOM 151 HZ3 LYS A 8 -4.668 -3.707 7.877 1.00 3.29 H ATOM 152 N VAL A 9 -1.980 -2.585 -0.237 1.00 0.13 N ATOM 153 CA VAL A 9 -1.068 -2.583 -1.371 1.00 0.16 C ATOM 154 C VAL A 9 -0.252 -1.294 -1.393 1.00 0.15 C ATOM 155 O VAL A 9 0.942 -1.320 -1.687 1.00 0.18 O ATOM 156 CB VAL A 9 -1.811 -2.776 -2.715 1.00 0.19 C ATOM 157 CG1 VAL A 9 -0.874 -2.569 -3.896 1.00 0.26 C ATOM 158 CG2 VAL A 9 -2.425 -4.167 -2.776 1.00 0.22 C ATOM 159 H VAL A 9 -2.946 -2.539 -0.396 1.00 0.13 H ATOM 160 HA VAL A 9 -0.387 -3.414 -1.242 1.00 0.20 H ATOM 161 HB VAL A 9 -2.606 -2.049 -2.777 1.00 0.19 H ATOM 162 HG11 VAL A 9 -0.484 -1.562 -3.875 1.00 1.05 H ATOM 163 HG12 VAL A 9 -1.417 -2.726 -4.817 1.00 1.04 H ATOM 164 HG13 VAL A 9 -0.057 -3.273 -3.836 1.00 1.05 H ATOM 165 HG21 VAL A 9 -3.127 -4.286 -1.964 1.00 1.03 H ATOM 166 HG22 VAL A 9 -1.646 -4.908 -2.690 1.00 1.06 H ATOM 167 HG23 VAL A 9 -2.939 -4.291 -3.718 1.00 1.04 H ATOM 168 N LYS A 10 -0.893 -0.176 -1.054 1.00 0.19 N ATOM 169 CA LYS A 10 -0.192 1.107 -0.937 1.00 0.26 C ATOM 170 C LYS A 10 1.037 0.979 -0.042 1.00 0.19 C ATOM 171 O LYS A 10 2.154 1.263 -0.468 1.00 0.18 O ATOM 172 CB LYS A 10 -1.109 2.183 -0.356 1.00 0.40 C ATOM 173 CG LYS A 10 -0.432 3.534 -0.177 1.00 0.53 C ATOM 174 CD LYS A 10 -1.261 4.469 0.687 1.00 1.08 C ATOM 175 CE LYS A 10 -1.351 3.977 2.123 1.00 1.79 C ATOM 176 NZ LYS A 10 -2.112 4.919 2.985 1.00 2.56 N ATOM 177 H LYS A 10 -1.871 -0.210 -0.896 1.00 0.20 H ATOM 178 HA LYS A 10 0.123 1.407 -1.925 1.00 0.32 H ATOM 179 HB2 LYS A 10 -1.955 2.313 -1.013 1.00 0.48 H ATOM 180 HB3 LYS A 10 -1.463 1.852 0.609 1.00 0.43 H ATOM 181 HG2 LYS A 10 0.528 3.384 0.294 1.00 1.00 H ATOM 182 HG3 LYS A 10 -0.291 3.985 -1.149 1.00 1.00 H ATOM 183 HD2 LYS A 10 -0.805 5.446 0.682 1.00 1.54 H ATOM 184 HD3 LYS A 10 -2.257 4.532 0.276 1.00 1.45 H ATOM 185 HE2 LYS A 10 -1.843 3.017 2.134 1.00 2.13 H ATOM 186 HE3 LYS A 10 -0.350 3.871 2.516 1.00 2.18 H ATOM 187 HZ1 LYS A 10 -3.038 5.043 2.626 1.00 2.94 H ATOM 188 HZ2 LYS A 10 -1.658 5.809 3.013 1.00 2.91 H ATOM 189 HZ3 LYS A 10 -2.171 4.560 3.918 1.00 2.98 H ATOM 190 N ASP A 11 0.822 0.537 1.194 1.00 0.21 N ATOM 191 CA ASP A 11 1.902 0.422 2.174 1.00 0.26 C ATOM 192 C ASP A 11 2.974 -0.548 1.694 1.00 0.19 C ATOM 193 O ASP A 11 4.163 -0.363 1.958 1.00 0.25 O ATOM 194 CB ASP A 11 1.349 -0.041 3.521 1.00 0.40 C ATOM 195 CG ASP A 11 2.413 -0.080 4.603 1.00 0.79 C ATOM 196 OD1 ASP A 11 2.922 -1.181 4.904 1.00 1.29 O ATOM 197 OD2 ASP A 11 2.751 0.991 5.153 1.00 0.82 O ATOM 198 H ASP A 11 -0.092 0.283 1.458 1.00 0.24 H ATOM 199 HA ASP A 11 2.346 1.398 2.293 1.00 0.33 H ATOM 200 HB2 ASP A 11 0.570 0.633 3.834 1.00 0.52 H ATOM 201 HB3 ASP A 11 0.938 -1.034 3.413 1.00 0.62 H ATOM 202 N PHE A 12 2.547 -1.571 0.970 1.00 0.17 N ATOM 203 CA PHE A 12 3.464 -2.565 0.435 1.00 0.23 C ATOM 204 C PHE A 12 4.334 -1.946 -0.656 1.00 0.20 C ATOM 205 O PHE A 12 5.530 -2.222 -0.749 1.00 0.31 O ATOM 206 CB PHE A 12 2.680 -3.762 -0.116 1.00 0.30 C ATOM 207 CG PHE A 12 3.551 -4.890 -0.593 1.00 0.44 C ATOM 208 CD1 PHE A 12 4.201 -5.713 0.313 1.00 0.60 C ATOM 209 CD2 PHE A 12 3.714 -5.130 -1.947 1.00 0.49 C ATOM 210 CE1 PHE A 12 5.000 -6.752 -0.125 1.00 0.74 C ATOM 211 CE2 PHE A 12 4.512 -6.167 -2.390 1.00 0.64 C ATOM 212 CZ PHE A 12 5.171 -6.970 -1.469 1.00 0.75 C ATOM 213 H PHE A 12 1.588 -1.654 0.781 1.00 0.19 H ATOM 214 HA PHE A 12 4.099 -2.899 1.241 1.00 0.30 H ATOM 215 HB2 PHE A 12 2.036 -4.148 0.658 1.00 0.36 H ATOM 216 HB3 PHE A 12 2.075 -3.432 -0.949 1.00 0.27 H ATOM 217 HD1 PHE A 12 4.083 -5.536 1.372 1.00 0.66 H ATOM 218 HD2 PHE A 12 3.211 -4.494 -2.661 1.00 0.49 H ATOM 219 HE1 PHE A 12 5.502 -7.385 0.590 1.00 0.89 H ATOM 220 HE2 PHE A 12 4.630 -6.343 -3.448 1.00 0.72 H ATOM 221 HZ PHE A 12 5.799 -7.778 -1.810 1.00 0.88 H ATOM 222 N LEU A 13 3.728 -1.090 -1.468 1.00 0.14 N ATOM 223 CA LEU A 13 4.437 -0.415 -2.544 1.00 0.21 C ATOM 224 C LEU A 13 5.332 0.692 -1.999 1.00 0.23 C ATOM 225 O LEU A 13 6.537 0.707 -2.252 1.00 0.33 O ATOM 226 CB LEU A 13 3.445 0.170 -3.551 1.00 0.28 C ATOM 227 CG LEU A 13 2.586 -0.850 -4.300 1.00 0.36 C ATOM 228 CD1 LEU A 13 1.630 -0.139 -5.243 1.00 0.47 C ATOM 229 CD2 LEU A 13 3.461 -1.833 -5.066 1.00 0.46 C ATOM 230 H LEU A 13 2.768 -0.909 -1.341 1.00 0.15 H ATOM 231 HA LEU A 13 5.054 -1.146 -3.044 1.00 0.29 H ATOM 232 HB2 LEU A 13 2.786 0.844 -3.022 1.00 0.28 H ATOM 233 HB3 LEU A 13 4.000 0.740 -4.276 1.00 0.35 H ATOM 234 HG LEU A 13 1.997 -1.407 -3.587 1.00 0.32 H ATOM 235 HD11 LEU A 13 1.052 -0.870 -5.789 1.00 1.14 H ATOM 236 HD12 LEU A 13 2.193 0.466 -5.939 1.00 1.14 H ATOM 237 HD13 LEU A 13 0.965 0.493 -4.673 1.00 1.12 H ATOM 238 HD21 LEU A 13 4.080 -2.381 -4.371 1.00 1.13 H ATOM 239 HD22 LEU A 13 4.089 -1.294 -5.760 1.00 1.12 H ATOM 240 HD23 LEU A 13 2.834 -2.524 -5.610 1.00 1.13 H ATOM 241 N VAL A 14 4.738 1.607 -1.239 1.00 0.25 N ATOM 242 CA VAL A 14 5.455 2.749 -0.694 1.00 0.37 C ATOM 243 C VAL A 14 6.558 2.300 0.257 1.00 0.45 C ATOM 244 O VAL A 14 7.697 2.759 0.165 1.00 0.52 O ATOM 245 CB VAL A 14 4.499 3.707 0.046 1.00 0.53 C ATOM 246 CG1 VAL A 14 5.249 4.920 0.567 1.00 1.22 C ATOM 247 CG2 VAL A 14 3.358 4.137 -0.864 1.00 1.19 C ATOM 248 H VAL A 14 3.780 1.510 -1.034 1.00 0.26 H ATOM 249 HA VAL A 14 5.901 3.287 -1.519 1.00 0.39 H ATOM 250 HB VAL A 14 4.078 3.183 0.892 1.00 1.03 H ATOM 251 HG11 VAL A 14 4.563 5.578 1.073 1.00 1.77 H ATOM 252 HG12 VAL A 14 5.705 5.441 -0.263 1.00 1.79 H ATOM 253 HG13 VAL A 14 6.016 4.597 1.254 1.00 1.76 H ATOM 254 HG21 VAL A 14 2.711 4.818 -0.333 1.00 1.76 H ATOM 255 HG22 VAL A 14 2.795 3.267 -1.169 1.00 1.72 H ATOM 256 HG23 VAL A 14 3.762 4.628 -1.737 1.00 1.78 H ATOM 257 N GLY A 15 6.218 1.394 1.163 1.00 0.54 N ATOM 258 CA GLY A 15 7.199 0.877 2.092 1.00 0.72 C ATOM 259 C GLY A 15 8.303 0.123 1.384 1.00 0.76 C ATOM 260 O GLY A 15 9.481 0.304 1.687 1.00 0.91 O ATOM 261 H GLY A 15 5.292 1.069 1.199 1.00 0.53 H ATOM 262 HA2 GLY A 15 7.631 1.700 2.640 1.00 0.78 H ATOM 263 HA3 GLY A 15 6.709 0.211 2.785 1.00 0.85 H ATOM 264 N GLY A 16 7.920 -0.693 0.413 1.00 0.74 N ATOM 265 CA GLY A 16 8.880 -1.509 -0.297 1.00 0.92 C ATOM 266 C GLY A 16 9.824 -0.698 -1.160 1.00 0.95 C ATOM 267 O GLY A 16 11.009 -1.015 -1.254 1.00 1.20 O ATOM 268 H GLY A 16 6.970 -0.745 0.177 1.00 0.67 H ATOM 269 HA2 GLY A 16 9.461 -2.065 0.425 1.00 1.10 H ATOM 270 HA3 GLY A 16 8.346 -2.207 -0.923 1.00 0.95 H ATOM 271 N MET A 17 9.311 0.365 -1.778 1.00 0.82 N ATOM 272 CA MET A 17 10.112 1.170 -2.701 1.00 0.98 C ATOM 273 C MET A 17 11.184 1.966 -1.961 1.00 1.04 C ATOM 274 O MET A 17 12.157 2.412 -2.564 1.00 1.22 O ATOM 275 CB MET A 17 9.229 2.121 -3.521 1.00 1.03 C ATOM 276 CG MET A 17 8.669 3.291 -2.725 1.00 1.22 C ATOM 277 SD MET A 17 7.596 4.362 -3.705 1.00 1.89 S ATOM 278 CE MET A 17 8.735 4.921 -4.972 1.00 2.61 C ATOM 279 H MET A 17 8.372 0.606 -1.619 1.00 0.72 H ATOM 280 HA MET A 17 10.605 0.487 -3.379 1.00 1.18 H ATOM 281 HB2 MET A 17 9.815 2.517 -4.337 1.00 1.50 H ATOM 282 HB3 MET A 17 8.400 1.561 -3.927 1.00 1.56 H ATOM 283 HG2 MET A 17 8.099 2.902 -1.895 1.00 1.64 H ATOM 284 HG3 MET A 17 9.493 3.878 -2.348 1.00 1.77 H ATOM 285 HE1 MET A 17 9.561 5.439 -4.510 1.00 3.04 H ATOM 286 HE2 MET A 17 8.223 5.589 -5.649 1.00 3.03 H ATOM 287 HE3 MET A 17 9.108 4.069 -5.523 1.00 3.03 H ATOM 288 N LYS A 18 11.007 2.147 -0.659 1.00 1.04 N ATOM 289 CA LYS A 18 11.994 2.859 0.138 1.00 1.24 C ATOM 290 C LYS A 18 12.740 1.895 1.048 1.00 1.56 C ATOM 291 O LYS A 18 13.546 2.306 1.882 1.00 2.01 O ATOM 292 CB LYS A 18 11.335 3.976 0.951 1.00 1.56 C ATOM 293 CG LYS A 18 10.290 3.496 1.942 1.00 2.04 C ATOM 294 CD LYS A 18 9.649 4.669 2.666 1.00 2.67 C ATOM 295 CE LYS A 18 8.585 4.214 3.651 1.00 3.27 C ATOM 296 NZ LYS A 18 9.155 3.383 4.742 1.00 3.89 N ATOM 297 H LYS A 18 10.198 1.795 -0.227 1.00 1.02 H ATOM 298 HA LYS A 18 12.704 3.301 -0.545 1.00 1.33 H ATOM 299 HB2 LYS A 18 12.101 4.501 1.501 1.00 2.01 H ATOM 300 HB3 LYS A 18 10.861 4.665 0.268 1.00 1.88 H ATOM 301 HG2 LYS A 18 9.525 2.949 1.410 1.00 2.29 H ATOM 302 HG3 LYS A 18 10.763 2.851 2.667 1.00 2.48 H ATOM 303 HD2 LYS A 18 10.414 5.208 3.205 1.00 3.05 H ATOM 304 HD3 LYS A 18 9.194 5.324 1.936 1.00 3.02 H ATOM 305 HE2 LYS A 18 8.119 5.088 4.083 1.00 3.60 H ATOM 306 HE3 LYS A 18 7.842 3.638 3.119 1.00 3.59 H ATOM 307 HZ1 LYS A 18 9.845 3.904 5.246 1.00 4.24 H ATOM 308 HZ2 LYS A 18 9.584 2.562 4.369 1.00 4.15 H ATOM 309 HZ3 LYS A 18 8.432 3.107 5.377 1.00 4.19 H ATOM 310 N ALA A 19 12.465 0.611 0.877 1.00 1.66 N ATOM 311 CA ALA A 19 13.134 -0.430 1.648 1.00 2.22 C ATOM 312 C ALA A 19 14.103 -1.218 0.771 1.00 2.97 C ATOM 313 O ALA A 19 14.659 -2.234 1.195 1.00 3.52 O ATOM 314 CB ALA A 19 12.112 -1.365 2.274 1.00 2.40 C ATOM 315 H ALA A 19 11.786 0.355 0.216 1.00 1.57 H ATOM 316 HA ALA A 19 13.688 0.048 2.442 1.00 2.48 H ATOM 317 HB1 ALA A 19 11.547 -1.853 1.494 1.00 2.69 H ATOM 318 HB2 ALA A 19 11.442 -0.796 2.903 1.00 2.74 H ATOM 319 HB3 ALA A 19 12.621 -2.107 2.868 1.00 2.70 H ATOM 320 N VAL A 20 14.294 -0.751 -0.454 1.00 3.41 N ATOM 321 CA VAL A 20 15.197 -1.409 -1.388 1.00 4.44 C ATOM 322 C VAL A 20 16.591 -0.795 -1.315 1.00 5.14 C ATOM 323 O VAL A 20 17.553 -1.538 -1.026 1.00 5.65 O ATOM 324 CB VAL A 20 14.672 -1.368 -2.844 1.00 4.95 C ATOM 325 CG1 VAL A 20 13.490 -2.309 -3.010 1.00 5.47 C ATOM 326 CG2 VAL A 20 14.282 0.045 -3.252 1.00 5.14 C ATOM 327 OXT VAL A 20 16.718 0.434 -1.506 1.00 5.52 O ATOM 328 H VAL A 20 13.824 0.060 -0.735 1.00 3.24 H ATOM 329 HA VAL A 20 15.269 -2.446 -1.089 1.00 4.72 H ATOM 330 HB VAL A 20 15.463 -1.703 -3.499 1.00 5.28 H ATOM 331 HG11 VAL A 20 12.695 -2.008 -2.343 1.00 5.70 H ATOM 332 HG12 VAL A 20 13.795 -3.317 -2.773 1.00 5.79 H ATOM 333 HG13 VAL A 20 13.140 -2.269 -4.030 1.00 5.70 H ATOM 334 HG21 VAL A 20 13.491 0.400 -2.605 1.00 5.35 H ATOM 335 HG22 VAL A 20 13.937 0.044 -4.275 1.00 5.36 H ATOM 336 HG23 VAL A 20 15.138 0.696 -3.160 1.00 5.32 H TER 337 VAL A 20 ENDMDL MODEL 9 ATOM 1 N LYS A 1 -5.612 6.470 0.152 1.00 1.55 N ATOM 2 CA LYS A 1 -6.254 5.153 -0.052 1.00 1.01 C ATOM 3 C LYS A 1 -5.996 4.248 1.152 1.00 0.98 C ATOM 4 O LYS A 1 -4.854 4.098 1.593 1.00 1.92 O ATOM 5 CB LYS A 1 -5.741 4.511 -1.354 1.00 0.98 C ATOM 6 CG LYS A 1 -4.230 4.293 -1.409 1.00 0.89 C ATOM 7 CD LYS A 1 -3.747 4.022 -2.829 1.00 1.56 C ATOM 8 CE LYS A 1 -4.436 2.818 -3.452 1.00 2.04 C ATOM 9 NZ LYS A 1 -3.949 2.553 -4.830 1.00 2.60 N ATOM 10 H1 LYS A 1 -5.741 7.045 -0.657 1.00 2.00 H ATOM 11 H2 LYS A 1 -4.634 6.355 0.312 1.00 1.96 H ATOM 12 H3 LYS A 1 -6.016 6.929 0.943 1.00 1.89 H ATOM 13 HA LYS A 1 -7.319 5.312 -0.137 1.00 1.36 H ATOM 14 HB2 LYS A 1 -6.222 3.553 -1.478 1.00 1.48 H ATOM 15 HB3 LYS A 1 -6.017 5.147 -2.182 1.00 1.44 H ATOM 16 HG2 LYS A 1 -3.731 5.176 -1.036 1.00 1.25 H ATOM 17 HG3 LYS A 1 -3.977 3.448 -0.786 1.00 1.20 H ATOM 18 HD2 LYS A 1 -3.949 4.889 -3.438 1.00 2.12 H ATOM 19 HD3 LYS A 1 -2.683 3.841 -2.805 1.00 2.15 H ATOM 20 HE2 LYS A 1 -4.242 1.951 -2.838 1.00 2.47 H ATOM 21 HE3 LYS A 1 -5.498 3.004 -3.484 1.00 2.49 H ATOM 22 HZ1 LYS A 1 -4.479 1.814 -5.248 1.00 2.97 H ATOM 23 HZ2 LYS A 1 -2.986 2.286 -4.813 1.00 2.96 H ATOM 24 HZ3 LYS A 1 -4.044 3.374 -5.391 1.00 2.93 H ATOM 25 N ILE A 2 -7.062 3.670 1.702 1.00 0.89 N ATOM 26 CA ILE A 2 -6.947 2.813 2.879 1.00 1.07 C ATOM 27 C ILE A 2 -7.736 1.521 2.680 1.00 0.72 C ATOM 28 O ILE A 2 -7.154 0.456 2.428 1.00 0.78 O ATOM 29 CB ILE A 2 -7.456 3.518 4.161 1.00 1.69 C ATOM 30 CG1 ILE A 2 -6.689 4.819 4.402 1.00 2.06 C ATOM 31 CG2 ILE A 2 -7.320 2.595 5.367 1.00 2.45 C ATOM 32 CD1 ILE A 2 -7.224 5.637 5.560 1.00 2.60 C ATOM 33 H ILE A 2 -7.948 3.814 1.299 1.00 1.50 H ATOM 34 HA ILE A 2 -5.905 2.571 3.016 1.00 1.35 H ATOM 35 HB ILE A 2 -8.503 3.743 4.030 1.00 1.67 H ATOM 36 HG12 ILE A 2 -5.657 4.585 4.613 1.00 2.57 H ATOM 37 HG13 ILE A 2 -6.741 5.429 3.513 1.00 2.22 H ATOM 38 HG21 ILE A 2 -7.884 1.690 5.195 1.00 2.90 H ATOM 39 HG22 ILE A 2 -7.701 3.093 6.246 1.00 2.80 H ATOM 40 HG23 ILE A 2 -6.280 2.349 5.516 1.00 2.81 H ATOM 41 HD11 ILE A 2 -7.178 5.050 6.466 1.00 3.02 H ATOM 42 HD12 ILE A 2 -8.249 5.913 5.362 1.00 2.98 H ATOM 43 HD13 ILE A 2 -6.628 6.527 5.677 1.00 2.95 H ATOM 44 N LYS A 3 -9.064 1.645 2.753 1.00 0.49 N ATOM 45 CA LYS A 3 -9.974 0.504 2.670 1.00 0.34 C ATOM 46 C LYS A 3 -9.597 -0.418 1.523 1.00 0.24 C ATOM 47 O LYS A 3 -8.977 0.025 0.539 1.00 0.31 O ATOM 48 CB LYS A 3 -11.413 0.990 2.496 1.00 0.53 C ATOM 49 CG LYS A 3 -11.930 1.790 3.684 1.00 1.27 C ATOM 50 CD LYS A 3 -13.359 2.268 3.467 1.00 1.81 C ATOM 51 CE LYS A 3 -14.329 1.103 3.312 1.00 2.59 C ATOM 52 NZ LYS A 3 -14.394 0.255 4.533 1.00 3.26 N ATOM 53 H LYS A 3 -9.446 2.542 2.859 1.00 0.60 H ATOM 54 HA LYS A 3 -9.900 -0.046 3.596 1.00 0.43 H ATOM 55 HB2 LYS A 3 -11.467 1.616 1.617 1.00 1.18 H ATOM 56 HB3 LYS A 3 -12.054 0.134 2.358 1.00 0.99 H ATOM 57 HG2 LYS A 3 -11.903 1.167 4.562 1.00 1.75 H ATOM 58 HG3 LYS A 3 -11.293 2.649 3.832 1.00 1.91 H ATOM 59 HD2 LYS A 3 -13.661 2.863 4.316 1.00 2.21 H ATOM 60 HD3 LYS A 3 -13.392 2.873 2.573 1.00 2.20 H ATOM 61 HE2 LYS A 3 -15.314 1.498 3.107 1.00 3.04 H ATOM 62 HE3 LYS A 3 -14.010 0.495 2.480 1.00 2.97 H ATOM 63 HZ1 LYS A 3 -14.728 0.789 5.310 1.00 3.57 H ATOM 64 HZ2 LYS A 3 -13.489 -0.105 4.756 1.00 3.65 H ATOM 65 HZ3 LYS A 3 -15.015 -0.516 4.381 1.00 3.61 H ATOM 66 N ILE A 4 -9.944 -1.704 1.657 1.00 0.22 N ATOM 67 CA ILE A 4 -9.536 -2.699 0.677 1.00 0.21 C ATOM 68 C ILE A 4 -8.007 -2.837 0.722 1.00 0.14 C ATOM 69 O ILE A 4 -7.318 -2.037 1.371 1.00 0.13 O ATOM 70 CB ILE A 4 -10.049 -2.263 -0.735 1.00 0.30 C ATOM 71 CG1 ILE A 4 -11.549 -2.556 -0.859 1.00 0.60 C ATOM 72 CG2 ILE A 4 -9.279 -2.906 -1.882 1.00 0.25 C ATOM 73 CD1 ILE A 4 -12.150 -2.121 -2.177 1.00 0.77 C ATOM 74 H ILE A 4 -10.483 -1.980 2.428 1.00 0.28 H ATOM 75 HA ILE A 4 -9.990 -3.644 0.938 1.00 0.30 H ATOM 76 HB ILE A 4 -9.908 -1.196 -0.813 1.00 0.46 H ATOM 77 HG12 ILE A 4 -11.709 -3.619 -0.760 1.00 0.68 H ATOM 78 HG13 ILE A 4 -12.074 -2.042 -0.067 1.00 0.74 H ATOM 79 HG21 ILE A 4 -8.214 -2.833 -1.687 1.00 1.06 H ATOM 80 HG22 ILE A 4 -9.507 -2.386 -2.802 1.00 1.06 H ATOM 81 HG23 ILE A 4 -9.563 -3.940 -1.974 1.00 1.05 H ATOM 82 HD11 ILE A 4 -13.205 -2.354 -2.187 1.00 1.29 H ATOM 83 HD12 ILE A 4 -11.659 -2.641 -2.987 1.00 1.31 H ATOM 84 HD13 ILE A 4 -12.016 -1.056 -2.301 1.00 1.30 H ATOM 85 N PRO A 5 -7.428 -3.888 0.139 1.00 0.18 N ATOM 86 CA PRO A 5 -6.013 -3.869 -0.194 1.00 0.19 C ATOM 87 C PRO A 5 -5.627 -2.694 -1.113 1.00 0.17 C ATOM 88 O PRO A 5 -4.929 -2.882 -2.103 1.00 0.32 O ATOM 89 CB PRO A 5 -5.794 -5.203 -0.908 1.00 0.31 C ATOM 90 CG PRO A 5 -6.860 -6.096 -0.375 1.00 0.46 C ATOM 91 CD PRO A 5 -8.043 -5.209 -0.112 1.00 0.29 C ATOM 92 HA PRO A 5 -5.411 -3.835 0.696 1.00 0.21 H ATOM 93 HB2 PRO A 5 -5.888 -5.063 -1.975 1.00 0.40 H ATOM 94 HB3 PRO A 5 -4.810 -5.578 -0.673 1.00 0.37 H ATOM 95 HG2 PRO A 5 -7.110 -6.848 -1.109 1.00 0.68 H ATOM 96 HG3 PRO A 5 -6.529 -6.560 0.542 1.00 0.67 H ATOM 97 HD2 PRO A 5 -8.686 -5.179 -0.976 1.00 0.31 H ATOM 98 HD3 PRO A 5 -8.587 -5.552 0.754 1.00 0.40 H ATOM 99 N TRP A 6 -6.081 -1.480 -0.788 1.00 0.14 N ATOM 100 CA TRP A 6 -5.607 -0.295 -1.465 1.00 0.22 C ATOM 101 C TRP A 6 -4.663 0.394 -0.528 1.00 0.24 C ATOM 102 O TRP A 6 -3.582 0.814 -0.912 1.00 0.35 O ATOM 103 CB TRP A 6 -6.743 0.653 -1.847 1.00 0.27 C ATOM 104 CG TRP A 6 -7.583 0.166 -2.982 1.00 0.31 C ATOM 105 CD1 TRP A 6 -8.939 0.089 -3.009 1.00 0.35 C ATOM 106 CD2 TRP A 6 -7.124 -0.307 -4.255 1.00 0.38 C ATOM 107 NE1 TRP A 6 -9.360 -0.413 -4.216 1.00 0.41 N ATOM 108 CE2 TRP A 6 -8.265 -0.660 -5.000 1.00 0.44 C ATOM 109 CE3 TRP A 6 -5.864 -0.466 -4.840 1.00 0.43 C ATOM 110 CZ2 TRP A 6 -8.180 -1.164 -6.296 1.00 0.53 C ATOM 111 CZ3 TRP A 6 -5.782 -0.965 -6.124 1.00 0.53 C ATOM 112 CH2 TRP A 6 -6.935 -1.308 -6.840 1.00 0.57 C ATOM 113 H TRP A 6 -6.734 -1.376 -0.038 1.00 0.20 H ATOM 114 HA TRP A 6 -5.071 -0.600 -2.351 1.00 0.27 H ATOM 115 HB2 TRP A 6 -7.388 0.789 -0.993 1.00 0.25 H ATOM 116 HB3 TRP A 6 -6.323 1.607 -2.127 1.00 0.34 H ATOM 117 HD1 TRP A 6 -9.576 0.372 -2.185 1.00 0.35 H ATOM 118 HE1 TRP A 6 -10.294 -0.567 -4.474 1.00 0.46 H ATOM 119 HE3 TRP A 6 -4.963 -0.205 -4.304 1.00 0.41 H ATOM 120 HZ2 TRP A 6 -9.058 -1.434 -6.862 1.00 0.59 H ATOM 121 HZ3 TRP A 6 -4.816 -1.094 -6.589 1.00 0.58 H ATOM 122 HH2 TRP A 6 -6.823 -1.695 -7.842 1.00 0.66 H ATOM 123 N GLY A 7 -5.093 0.485 0.720 1.00 0.20 N ATOM 124 CA GLY A 7 -4.215 0.939 1.773 1.00 0.27 C ATOM 125 C GLY A 7 -3.151 -0.088 2.084 1.00 0.23 C ATOM 126 O GLY A 7 -2.009 0.264 2.393 1.00 0.31 O ATOM 127 H GLY A 7 -6.040 0.253 0.929 1.00 0.19 H ATOM 128 HA2 GLY A 7 -3.740 1.860 1.468 1.00 0.34 H ATOM 129 HA3 GLY A 7 -4.796 1.118 2.663 1.00 0.31 H ATOM 130 N LYS A 8 -3.517 -1.367 1.986 1.00 0.15 N ATOM 131 CA LYS A 8 -2.585 -2.436 2.250 1.00 0.18 C ATOM 132 C LYS A 8 -1.519 -2.504 1.157 1.00 0.16 C ATOM 133 O LYS A 8 -0.325 -2.564 1.447 1.00 0.22 O ATOM 134 CB LYS A 8 -3.348 -3.748 2.343 1.00 0.23 C ATOM 135 CG LYS A 8 -2.491 -4.927 2.718 1.00 1.19 C ATOM 136 CD LYS A 8 -1.823 -4.735 4.070 1.00 1.71 C ATOM 137 CE LYS A 8 -1.100 -5.991 4.526 1.00 2.35 C ATOM 138 NZ LYS A 8 -2.040 -7.116 4.775 1.00 2.94 N ATOM 139 H LYS A 8 -4.444 -1.602 1.743 1.00 0.14 H ATOM 140 HA LYS A 8 -2.106 -2.237 3.196 1.00 0.24 H ATOM 141 HB2 LYS A 8 -4.130 -3.649 3.079 1.00 0.89 H ATOM 142 HB3 LYS A 8 -3.791 -3.953 1.384 1.00 0.94 H ATOM 143 HG2 LYS A 8 -3.113 -5.802 2.751 1.00 1.93 H ATOM 144 HG3 LYS A 8 -1.736 -5.043 1.962 1.00 1.83 H ATOM 145 HD2 LYS A 8 -1.107 -3.930 3.996 1.00 2.15 H ATOM 146 HD3 LYS A 8 -2.577 -4.481 4.798 1.00 2.21 H ATOM 147 HE2 LYS A 8 -0.398 -6.286 3.760 1.00 2.75 H ATOM 148 HE3 LYS A 8 -0.565 -5.772 5.437 1.00 2.81 H ATOM 149 HZ1 LYS A 8 -1.536 -7.924 5.080 1.00 3.31 H ATOM 150 HZ2 LYS A 8 -2.535 -7.347 3.937 1.00 3.26 H ATOM 151 HZ3 LYS A 8 -2.703 -6.862 5.481 1.00 3.29 H ATOM 152 N VAL A 9 -1.952 -2.483 -0.103 1.00 0.13 N ATOM 153 CA VAL A 9 -1.014 -2.501 -1.218 1.00 0.16 C ATOM 154 C VAL A 9 -0.257 -1.177 -1.298 1.00 0.15 C ATOM 155 O VAL A 9 0.902 -1.144 -1.702 1.00 0.18 O ATOM 156 CB VAL A 9 -1.716 -2.811 -2.562 1.00 0.19 C ATOM 157 CG1 VAL A 9 -0.754 -2.674 -3.735 1.00 0.26 C ATOM 158 CG2 VAL A 9 -2.302 -4.212 -2.531 1.00 0.22 C ATOM 159 H VAL A 9 -2.915 -2.456 -0.285 1.00 0.13 H ATOM 160 HA VAL A 9 -0.300 -3.291 -1.026 1.00 0.20 H ATOM 161 HB VAL A 9 -2.523 -2.107 -2.699 1.00 0.19 H ATOM 162 HG11 VAL A 9 -0.366 -1.667 -3.768 1.00 1.05 H ATOM 163 HG12 VAL A 9 -1.277 -2.889 -4.655 1.00 1.04 H ATOM 164 HG13 VAL A 9 0.063 -3.370 -3.613 1.00 1.05 H ATOM 165 HG21 VAL A 9 -3.040 -4.276 -1.745 1.00 1.03 H ATOM 166 HG22 VAL A 9 -1.516 -4.928 -2.344 1.00 1.06 H ATOM 167 HG23 VAL A 9 -2.769 -4.429 -3.481 1.00 1.04 H ATOM 168 N LYS A 10 -0.912 -0.089 -0.896 1.00 0.19 N ATOM 169 CA LYS A 10 -0.233 1.205 -0.757 1.00 0.26 C ATOM 170 C LYS A 10 1.019 1.060 0.104 1.00 0.19 C ATOM 171 O LYS A 10 2.107 1.487 -0.288 1.00 0.18 O ATOM 172 CB LYS A 10 -1.177 2.244 -0.133 1.00 0.40 C ATOM 173 CG LYS A 10 -0.524 3.567 0.271 1.00 0.53 C ATOM 174 CD LYS A 10 -0.365 4.539 -0.895 1.00 1.08 C ATOM 175 CE LYS A 10 0.780 4.151 -1.823 1.00 1.79 C ATOM 176 NZ LYS A 10 1.128 5.248 -2.765 1.00 2.56 N ATOM 177 H LYS A 10 -1.883 -0.152 -0.710 1.00 0.20 H ATOM 178 HA LYS A 10 0.058 1.533 -1.744 1.00 0.32 H ATOM 179 HB2 LYS A 10 -1.960 2.465 -0.842 1.00 0.48 H ATOM 180 HB3 LYS A 10 -1.624 1.811 0.749 1.00 0.43 H ATOM 181 HG2 LYS A 10 -1.135 4.037 1.026 1.00 1.00 H ATOM 182 HG3 LYS A 10 0.453 3.356 0.684 1.00 1.00 H ATOM 183 HD2 LYS A 10 -1.285 4.554 -1.462 1.00 1.54 H ATOM 184 HD3 LYS A 10 -0.174 5.526 -0.499 1.00 1.45 H ATOM 185 HE2 LYS A 10 1.647 3.915 -1.226 1.00 2.13 H ATOM 186 HE3 LYS A 10 0.487 3.282 -2.392 1.00 2.18 H ATOM 187 HZ1 LYS A 10 1.886 4.966 -3.353 1.00 2.94 H ATOM 188 HZ2 LYS A 10 1.400 6.065 -2.260 1.00 2.91 H ATOM 189 HZ3 LYS A 10 0.339 5.473 -3.340 1.00 2.98 H ATOM 190 N ASP A 11 0.856 0.439 1.270 1.00 0.21 N ATOM 191 CA ASP A 11 1.972 0.208 2.183 1.00 0.26 C ATOM 192 C ASP A 11 3.011 -0.704 1.542 1.00 0.19 C ATOM 193 O ASP A 11 4.214 -0.470 1.653 1.00 0.25 O ATOM 194 CB ASP A 11 1.471 -0.413 3.486 1.00 0.40 C ATOM 195 CG ASP A 11 2.582 -0.612 4.500 1.00 0.79 C ATOM 196 OD1 ASP A 11 3.105 -1.745 4.603 1.00 1.29 O ATOM 197 OD2 ASP A 11 2.957 0.367 5.177 1.00 0.82 O ATOM 198 H ASP A 11 -0.042 0.130 1.524 1.00 0.24 H ATOM 199 HA ASP A 11 2.428 1.161 2.400 1.00 0.33 H ATOM 200 HB2 ASP A 11 0.723 0.232 3.920 1.00 0.52 H ATOM 201 HB3 ASP A 11 1.029 -1.375 3.270 1.00 0.62 H ATOM 202 N PHE A 12 2.529 -1.738 0.864 1.00 0.17 N ATOM 203 CA PHE A 12 3.391 -2.683 0.165 1.00 0.23 C ATOM 204 C PHE A 12 4.269 -1.962 -0.857 1.00 0.20 C ATOM 205 O PHE A 12 5.467 -2.230 -0.963 1.00 0.31 O ATOM 206 CB PHE A 12 2.529 -3.750 -0.525 1.00 0.30 C ATOM 207 CG PHE A 12 3.304 -4.744 -1.345 1.00 0.44 C ATOM 208 CD1 PHE A 12 3.943 -5.813 -0.741 1.00 0.60 C ATOM 209 CD2 PHE A 12 3.386 -4.610 -2.722 1.00 0.49 C ATOM 210 CE1 PHE A 12 4.650 -6.732 -1.495 1.00 0.74 C ATOM 211 CE2 PHE A 12 4.091 -5.523 -3.481 1.00 0.64 C ATOM 212 CZ PHE A 12 4.725 -6.585 -2.867 1.00 0.75 C ATOM 213 H PHE A 12 1.557 -1.873 0.836 1.00 0.19 H ATOM 214 HA PHE A 12 4.026 -3.161 0.896 1.00 0.30 H ATOM 215 HB2 PHE A 12 1.984 -4.299 0.226 1.00 0.36 H ATOM 216 HB3 PHE A 12 1.825 -3.256 -1.180 1.00 0.27 H ATOM 217 HD1 PHE A 12 3.886 -5.928 0.330 1.00 0.66 H ATOM 218 HD2 PHE A 12 2.890 -3.780 -3.204 1.00 0.49 H ATOM 219 HE1 PHE A 12 5.143 -7.561 -1.012 1.00 0.89 H ATOM 220 HE2 PHE A 12 4.149 -5.406 -4.553 1.00 0.72 H ATOM 221 HZ PHE A 12 5.277 -7.301 -3.458 1.00 0.88 H ATOM 222 N LEU A 13 3.665 -1.042 -1.597 1.00 0.14 N ATOM 223 CA LEU A 13 4.374 -0.290 -2.622 1.00 0.21 C ATOM 224 C LEU A 13 5.402 0.649 -2.003 1.00 0.23 C ATOM 225 O LEU A 13 6.598 0.548 -2.285 1.00 0.33 O ATOM 226 CB LEU A 13 3.388 0.519 -3.466 1.00 0.28 C ATOM 227 CG LEU A 13 2.341 -0.304 -4.219 1.00 0.36 C ATOM 228 CD1 LEU A 13 1.410 0.608 -5.000 1.00 0.47 C ATOM 229 CD2 LEU A 13 3.013 -1.305 -5.147 1.00 0.46 C ATOM 230 H LEU A 13 2.707 -0.866 -1.451 1.00 0.15 H ATOM 231 HA LEU A 13 4.884 -0.995 -3.257 1.00 0.29 H ATOM 232 HB2 LEU A 13 2.871 1.207 -2.814 1.00 0.28 H ATOM 233 HB3 LEU A 13 3.951 1.090 -4.186 1.00 0.35 H ATOM 234 HG LEU A 13 1.744 -0.853 -3.504 1.00 0.32 H ATOM 235 HD11 LEU A 13 0.676 0.012 -5.523 1.00 1.14 H ATOM 236 HD12 LEU A 13 1.983 1.182 -5.714 1.00 1.14 H ATOM 237 HD13 LEU A 13 0.908 1.279 -4.319 1.00 1.12 H ATOM 238 HD21 LEU A 13 3.610 -1.991 -4.565 1.00 1.13 H ATOM 239 HD22 LEU A 13 3.644 -0.780 -5.846 1.00 1.12 H ATOM 240 HD23 LEU A 13 2.259 -1.856 -5.687 1.00 1.13 H ATOM 241 N VAL A 14 4.933 1.553 -1.150 1.00 0.25 N ATOM 242 CA VAL A 14 5.794 2.564 -0.556 1.00 0.37 C ATOM 243 C VAL A 14 6.889 1.928 0.295 1.00 0.45 C ATOM 244 O VAL A 14 8.043 2.357 0.271 1.00 0.52 O ATOM 245 CB VAL A 14 4.974 3.564 0.280 1.00 0.53 C ATOM 246 CG1 VAL A 14 4.429 2.928 1.540 1.00 1.22 C ATOM 247 CG2 VAL A 14 5.796 4.796 0.600 1.00 1.19 C ATOM 248 H VAL A 14 3.979 1.542 -0.915 1.00 0.26 H ATOM 249 HA VAL A 14 6.256 3.109 -1.357 1.00 0.39 H ATOM 250 HB VAL A 14 4.134 3.868 -0.313 1.00 1.03 H ATOM 251 HG11 VAL A 14 5.252 2.591 2.151 1.00 1.77 H ATOM 252 HG12 VAL A 14 3.813 2.085 1.271 1.00 1.79 H ATOM 253 HG13 VAL A 14 3.843 3.649 2.086 1.00 1.76 H ATOM 254 HG21 VAL A 14 6.156 5.234 -0.318 1.00 1.76 H ATOM 255 HG22 VAL A 14 6.636 4.516 1.218 1.00 1.72 H ATOM 256 HG23 VAL A 14 5.184 5.512 1.125 1.00 1.78 H ATOM 257 N GLY A 15 6.518 0.889 1.020 1.00 0.54 N ATOM 258 CA GLY A 15 7.471 0.163 1.836 1.00 0.72 C ATOM 259 C GLY A 15 8.521 -0.536 1.005 1.00 0.76 C ATOM 260 O GLY A 15 9.682 -0.626 1.407 1.00 0.91 O ATOM 261 H GLY A 15 5.571 0.624 1.015 1.00 0.53 H ATOM 262 HA2 GLY A 15 7.960 0.855 2.504 1.00 0.78 H ATOM 263 HA3 GLY A 15 6.942 -0.573 2.420 1.00 0.85 H ATOM 264 N GLY A 16 8.120 -1.019 -0.161 1.00 0.74 N ATOM 265 CA GLY A 16 9.039 -1.727 -1.026 1.00 0.92 C ATOM 266 C GLY A 16 10.039 -0.807 -1.690 1.00 0.95 C ATOM 267 O GLY A 16 11.227 -1.122 -1.761 1.00 1.20 O ATOM 268 H GLY A 16 7.187 -0.893 -0.439 1.00 0.67 H ATOM 269 HA2 GLY A 16 9.574 -2.459 -0.440 1.00 1.10 H ATOM 270 HA3 GLY A 16 8.474 -2.237 -1.792 1.00 0.95 H ATOM 271 N MET A 17 9.565 0.340 -2.161 1.00 0.82 N ATOM 272 CA MET A 17 10.418 1.274 -2.889 1.00 0.98 C ATOM 273 C MET A 17 11.464 1.914 -1.977 1.00 1.04 C ATOM 274 O MET A 17 12.576 2.197 -2.412 1.00 1.22 O ATOM 275 CB MET A 17 9.582 2.358 -3.585 1.00 1.03 C ATOM 276 CG MET A 17 8.778 3.231 -2.635 1.00 1.22 C ATOM 277 SD MET A 17 7.813 4.497 -3.487 1.00 1.89 S ATOM 278 CE MET A 17 6.778 3.487 -4.544 1.00 2.61 C ATOM 279 H MET A 17 8.616 0.557 -2.027 1.00 0.72 H ATOM 280 HA MET A 17 10.937 0.707 -3.645 1.00 1.18 H ATOM 281 HB2 MET A 17 10.244 2.997 -4.149 1.00 1.50 H ATOM 282 HB3 MET A 17 8.895 1.879 -4.267 1.00 1.56 H ATOM 283 HG2 MET A 17 8.103 2.600 -2.077 1.00 1.64 H ATOM 284 HG3 MET A 17 9.460 3.717 -1.952 1.00 1.77 H ATOM 285 HE1 MET A 17 6.094 4.121 -5.090 1.00 3.04 H ATOM 286 HE2 MET A 17 6.218 2.789 -3.939 1.00 3.03 H ATOM 287 HE3 MET A 17 7.397 2.944 -5.241 1.00 3.03 H ATOM 288 N LYS A 18 11.122 2.130 -0.709 1.00 1.04 N ATOM 289 CA LYS A 18 12.067 2.745 0.221 1.00 1.24 C ATOM 290 C LYS A 18 12.956 1.691 0.875 1.00 1.56 C ATOM 291 O LYS A 18 13.893 2.021 1.605 1.00 2.01 O ATOM 292 CB LYS A 18 11.344 3.573 1.288 1.00 1.56 C ATOM 293 CG LYS A 18 10.387 2.780 2.163 1.00 2.04 C ATOM 294 CD LYS A 18 9.731 3.671 3.207 1.00 2.67 C ATOM 295 CE LYS A 18 8.667 2.924 3.995 1.00 3.27 C ATOM 296 NZ LYS A 18 8.097 3.756 5.085 1.00 3.89 N ATOM 297 H LYS A 18 10.226 1.879 -0.396 1.00 1.02 H ATOM 298 HA LYS A 18 12.699 3.404 -0.356 1.00 1.33 H ATOM 299 HB2 LYS A 18 12.082 4.029 1.931 1.00 2.01 H ATOM 300 HB3 LYS A 18 10.781 4.352 0.796 1.00 1.88 H ATOM 301 HG2 LYS A 18 9.620 2.345 1.539 1.00 2.29 H ATOM 302 HG3 LYS A 18 10.936 1.995 2.663 1.00 2.48 H ATOM 303 HD2 LYS A 18 10.487 4.023 3.892 1.00 3.05 H ATOM 304 HD3 LYS A 18 9.273 4.514 2.709 1.00 3.02 H ATOM 305 HE2 LYS A 18 7.872 2.642 3.321 1.00 3.60 H ATOM 306 HE3 LYS A 18 9.109 2.037 4.421 1.00 3.59 H ATOM 307 HZ1 LYS A 18 7.382 3.248 5.567 1.00 4.24 H ATOM 308 HZ2 LYS A 18 7.699 4.591 4.715 1.00 4.15 H ATOM 309 HZ3 LYS A 18 8.813 4.004 5.739 1.00 4.19 H ATOM 310 N ALA A 19 12.664 0.425 0.607 1.00 1.66 N ATOM 311 CA ALA A 19 13.479 -0.665 1.120 1.00 2.22 C ATOM 312 C ALA A 19 14.672 -0.913 0.209 1.00 2.97 C ATOM 313 O ALA A 19 15.685 -1.478 0.629 1.00 3.52 O ATOM 314 CB ALA A 19 12.648 -1.931 1.264 1.00 2.40 C ATOM 315 H ALA A 19 11.884 0.220 0.051 1.00 1.57 H ATOM 316 HA ALA A 19 13.837 -0.383 2.100 1.00 2.48 H ATOM 317 HB1 ALA A 19 11.816 -1.743 1.926 1.00 2.69 H ATOM 318 HB2 ALA A 19 13.262 -2.720 1.672 1.00 2.74 H ATOM 319 HB3 ALA A 19 12.276 -2.229 0.294 1.00 2.70 H ATOM 320 N VAL A 20 14.550 -0.481 -1.039 1.00 3.41 N ATOM 321 CA VAL A 20 15.611 -0.657 -2.012 1.00 4.44 C ATOM 322 C VAL A 20 15.954 0.676 -2.681 1.00 5.14 C ATOM 323 O VAL A 20 16.967 1.287 -2.286 1.00 5.65 O ATOM 324 CB VAL A 20 15.250 -1.742 -3.064 1.00 4.95 C ATOM 325 CG1 VAL A 20 13.894 -1.478 -3.708 1.00 5.47 C ATOM 326 CG2 VAL A 20 16.338 -1.851 -4.124 1.00 5.14 C ATOM 327 OXT VAL A 20 15.206 1.126 -3.574 1.00 5.52 O ATOM 328 H VAL A 20 13.729 -0.019 -1.308 1.00 3.24 H ATOM 329 HA VAL A 20 16.483 -0.995 -1.473 1.00 4.72 H ATOM 330 HB VAL A 20 15.192 -2.693 -2.553 1.00 5.28 H ATOM 331 HG11 VAL A 20 13.128 -1.478 -2.948 1.00 5.70 H ATOM 332 HG12 VAL A 20 13.684 -2.252 -4.434 1.00 5.79 H ATOM 333 HG13 VAL A 20 13.913 -0.518 -4.203 1.00 5.70 H ATOM 334 HG21 VAL A 20 16.066 -2.609 -4.843 1.00 5.35 H ATOM 335 HG22 VAL A 20 17.273 -2.116 -3.656 1.00 5.36 H ATOM 336 HG23 VAL A 20 16.446 -0.901 -4.627 1.00 5.32 H TER 337 VAL A 20 ENDMDL MODEL 10 ATOM 1 N LYS A 1 -5.211 6.441 0.102 1.00 1.55 N ATOM 2 CA LYS A 1 -6.056 5.235 -0.054 1.00 1.01 C ATOM 3 C LYS A 1 -5.844 4.278 1.112 1.00 0.98 C ATOM 4 O LYS A 1 -4.709 3.953 1.463 1.00 1.92 O ATOM 5 CB LYS A 1 -5.760 4.532 -1.387 1.00 0.98 C ATOM 6 CG LYS A 1 -4.280 4.296 -1.659 1.00 0.89 C ATOM 7 CD LYS A 1 -4.066 3.558 -2.972 1.00 1.56 C ATOM 8 CE LYS A 1 -2.587 3.415 -3.308 1.00 2.04 C ATOM 9 NZ LYS A 1 -1.943 4.728 -3.576 1.00 2.60 N ATOM 10 H1 LYS A 1 -5.331 7.051 -0.680 1.00 2.00 H ATOM 11 H2 LYS A 1 -4.248 6.183 0.167 1.00 1.96 H ATOM 12 H3 LYS A 1 -5.467 6.932 0.937 1.00 1.89 H ATOM 13 HA LYS A 1 -7.089 5.552 -0.048 1.00 1.36 H ATOM 14 HB2 LYS A 1 -6.258 3.575 -1.391 1.00 1.48 H ATOM 15 HB3 LYS A 1 -6.157 5.134 -2.191 1.00 1.44 H ATOM 16 HG2 LYS A 1 -3.777 5.249 -1.710 1.00 1.25 H ATOM 17 HG3 LYS A 1 -3.863 3.709 -0.853 1.00 1.20 H ATOM 18 HD2 LYS A 1 -4.499 2.573 -2.893 1.00 2.12 H ATOM 19 HD3 LYS A 1 -4.554 4.105 -3.764 1.00 2.15 H ATOM 20 HE2 LYS A 1 -2.086 2.944 -2.478 1.00 2.47 H ATOM 21 HE3 LYS A 1 -2.491 2.792 -4.186 1.00 2.49 H ATOM 22 HZ1 LYS A 1 -2.409 5.194 -4.331 1.00 2.97 H ATOM 23 HZ2 LYS A 1 -0.985 4.596 -3.827 1.00 2.96 H ATOM 24 HZ3 LYS A 1 -1.982 5.309 -2.764 1.00 2.93 H ATOM 25 N ILE A 2 -6.942 3.843 1.720 1.00 0.89 N ATOM 26 CA ILE A 2 -6.886 2.931 2.854 1.00 1.07 C ATOM 27 C ILE A 2 -7.705 1.672 2.576 1.00 0.72 C ATOM 28 O ILE A 2 -7.145 0.590 2.340 1.00 0.78 O ATOM 29 CB ILE A 2 -7.418 3.599 4.146 1.00 1.69 C ATOM 30 CG1 ILE A 2 -6.613 4.861 4.481 1.00 2.06 C ATOM 31 CG2 ILE A 2 -7.377 2.620 5.312 1.00 2.45 C ATOM 32 CD1 ILE A 2 -5.164 4.591 4.822 1.00 2.60 C ATOM 33 H ILE A 2 -7.819 4.144 1.396 1.00 1.50 H ATOM 34 HA ILE A 2 -5.856 2.655 3.012 1.00 1.35 H ATOM 35 HB ILE A 2 -8.449 3.874 3.980 1.00 1.67 H ATOM 36 HG12 ILE A 2 -6.632 5.526 3.631 1.00 2.57 H ATOM 37 HG13 ILE A 2 -7.067 5.355 5.327 1.00 2.22 H ATOM 38 HG21 ILE A 2 -7.976 1.753 5.075 1.00 2.90 H ATOM 39 HG22 ILE A 2 -7.769 3.097 6.196 1.00 2.80 H ATOM 40 HG23 ILE A 2 -6.356 2.315 5.491 1.00 2.81 H ATOM 41 HD11 ILE A 2 -5.112 3.928 5.671 1.00 3.02 H ATOM 42 HD12 ILE A 2 -4.672 5.521 5.061 1.00 2.98 H ATOM 43 HD13 ILE A 2 -4.674 4.132 3.977 1.00 2.95 H ATOM 44 N LYS A 3 -9.031 1.850 2.560 1.00 0.49 N ATOM 45 CA LYS A 3 -9.988 0.749 2.446 1.00 0.34 C ATOM 46 C LYS A 3 -9.575 -0.236 1.366 1.00 0.24 C ATOM 47 O LYS A 3 -8.898 0.146 0.397 1.00 0.31 O ATOM 48 CB LYS A 3 -11.387 1.292 2.139 1.00 0.53 C ATOM 49 CG LYS A 3 -11.931 2.230 3.209 1.00 1.27 C ATOM 50 CD LYS A 3 -13.303 2.777 2.839 1.00 1.81 C ATOM 51 CE LYS A 3 -14.352 1.678 2.764 1.00 2.59 C ATOM 52 NZ LYS A 3 -15.682 2.209 2.371 1.00 3.26 N ATOM 53 H LYS A 3 -9.378 2.764 2.613 1.00 0.60 H ATOM 54 HA LYS A 3 -10.014 0.233 3.394 1.00 0.43 H ATOM 55 HB2 LYS A 3 -11.354 1.832 1.204 1.00 1.18 H ATOM 56 HB3 LYS A 3 -12.068 0.461 2.039 1.00 0.99 H ATOM 57 HG2 LYS A 3 -12.012 1.688 4.139 1.00 1.75 H ATOM 58 HG3 LYS A 3 -11.245 3.055 3.332 1.00 1.91 H ATOM 59 HD2 LYS A 3 -13.605 3.494 3.587 1.00 2.21 H ATOM 60 HD3 LYS A 3 -13.236 3.265 1.878 1.00 2.20 H ATOM 61 HE2 LYS A 3 -14.038 0.945 2.036 1.00 3.04 H ATOM 62 HE3 LYS A 3 -14.433 1.208 3.734 1.00 2.97 H ATOM 63 HZ1 LYS A 3 -16.352 1.467 2.327 1.00 3.57 H ATOM 64 HZ2 LYS A 3 -15.628 2.642 1.473 1.00 3.65 H ATOM 65 HZ3 LYS A 3 -15.993 2.889 3.036 1.00 3.61 H ATOM 66 N ILE A 4 -9.960 -1.505 1.546 1.00 0.22 N ATOM 67 CA ILE A 4 -9.560 -2.549 0.617 1.00 0.21 C ATOM 68 C ILE A 4 -8.038 -2.732 0.706 1.00 0.14 C ATOM 69 O ILE A 4 -7.344 -1.933 1.349 1.00 0.13 O ATOM 70 CB ILE A 4 -10.013 -2.141 -0.822 1.00 0.30 C ATOM 71 CG1 ILE A 4 -11.532 -2.305 -0.957 1.00 0.60 C ATOM 72 CG2 ILE A 4 -9.289 -2.900 -1.924 1.00 0.25 C ATOM 73 CD1 ILE A 4 -12.083 -1.823 -2.283 1.00 0.77 C ATOM 74 H ILE A 4 -10.523 -1.733 2.313 1.00 0.28 H ATOM 75 HA ILE A 4 -10.054 -3.469 0.896 1.00 0.30 H ATOM 76 HB ILE A 4 -9.777 -1.095 -0.946 1.00 0.46 H ATOM 77 HG12 ILE A 4 -11.783 -3.350 -0.857 1.00 0.68 H ATOM 78 HG13 ILE A 4 -12.019 -1.746 -0.171 1.00 0.74 H ATOM 79 HG21 ILE A 4 -9.642 -3.917 -1.953 1.00 1.06 H ATOM 80 HG22 ILE A 4 -8.222 -2.891 -1.724 1.00 1.06 H ATOM 81 HG23 ILE A 4 -9.478 -2.423 -2.873 1.00 1.05 H ATOM 82 HD11 ILE A 4 -13.152 -1.980 -2.305 1.00 1.29 H ATOM 83 HD12 ILE A 4 -11.621 -2.376 -3.088 1.00 1.31 H ATOM 84 HD13 ILE A 4 -11.872 -0.771 -2.401 1.00 1.30 H ATOM 85 N PRO A 5 -7.474 -3.813 0.165 1.00 0.18 N ATOM 86 CA PRO A 5 -6.054 -3.833 -0.153 1.00 0.19 C ATOM 87 C PRO A 5 -5.636 -2.691 -1.103 1.00 0.17 C ATOM 88 O PRO A 5 -4.918 -2.920 -2.071 1.00 0.32 O ATOM 89 CB PRO A 5 -5.856 -5.194 -0.820 1.00 0.31 C ATOM 90 CG PRO A 5 -6.937 -6.047 -0.257 1.00 0.46 C ATOM 91 CD PRO A 5 -8.111 -5.132 -0.043 1.00 0.29 C ATOM 92 HA PRO A 5 -5.460 -3.781 0.742 1.00 0.21 H ATOM 93 HB2 PRO A 5 -5.950 -5.090 -1.891 1.00 0.40 H ATOM 94 HB3 PRO A 5 -4.879 -5.580 -0.573 1.00 0.37 H ATOM 95 HG2 PRO A 5 -7.191 -6.829 -0.957 1.00 0.68 H ATOM 96 HG3 PRO A 5 -6.618 -6.472 0.684 1.00 0.67 H ATOM 97 HD2 PRO A 5 -8.742 -5.125 -0.916 1.00 0.31 H ATOM 98 HD3 PRO A 5 -8.671 -5.432 0.829 1.00 0.40 H ATOM 99 N TRP A 6 -6.083 -1.461 -0.826 1.00 0.14 N ATOM 100 CA TRP A 6 -5.582 -0.298 -1.527 1.00 0.22 C ATOM 101 C TRP A 6 -4.620 0.378 -0.596 1.00 0.24 C ATOM 102 O TRP A 6 -3.536 0.791 -0.987 1.00 0.35 O ATOM 103 CB TRP A 6 -6.693 0.680 -1.918 1.00 0.27 C ATOM 104 CG TRP A 6 -7.551 0.220 -3.056 1.00 0.31 C ATOM 105 CD1 TRP A 6 -8.910 0.150 -3.067 1.00 0.35 C ATOM 106 CD2 TRP A 6 -7.113 -0.216 -4.348 1.00 0.38 C ATOM 107 NE1 TRP A 6 -9.349 -0.315 -4.282 1.00 0.41 N ATOM 108 CE2 TRP A 6 -8.266 -0.544 -5.086 1.00 0.44 C ATOM 109 CE3 TRP A 6 -5.862 -0.364 -4.954 1.00 0.43 C ATOM 110 CZ2 TRP A 6 -8.204 -1.008 -6.397 1.00 0.53 C ATOM 111 CZ3 TRP A 6 -5.803 -0.825 -6.255 1.00 0.53 C ATOM 112 CH2 TRP A 6 -6.967 -1.143 -6.964 1.00 0.57 C ATOM 113 H TRP A 6 -6.746 -1.326 -0.089 1.00 0.20 H ATOM 114 HA TRP A 6 -5.054 -0.632 -2.409 1.00 0.27 H ATOM 115 HB2 TRP A 6 -7.334 0.838 -1.066 1.00 0.25 H ATOM 116 HB3 TRP A 6 -6.245 1.621 -2.200 1.00 0.34 H ATOM 117 HD1 TRP A 6 -9.539 0.416 -2.230 1.00 0.35 H ATOM 118 HE1 TRP A 6 -10.290 -0.456 -4.532 1.00 0.46 H ATOM 119 HE3 TRP A 6 -4.952 -0.124 -4.424 1.00 0.41 H ATOM 120 HZ2 TRP A 6 -9.093 -1.258 -6.957 1.00 0.59 H ATOM 121 HZ3 TRP A 6 -4.845 -0.946 -6.738 1.00 0.58 H ATOM 122 HH2 TRP A 6 -6.871 -1.500 -7.978 1.00 0.66 H ATOM 123 N GLY A 7 -5.040 0.467 0.659 1.00 0.20 N ATOM 124 CA GLY A 7 -4.150 0.896 1.713 1.00 0.27 C ATOM 125 C GLY A 7 -3.149 -0.183 2.071 1.00 0.23 C ATOM 126 O GLY A 7 -1.993 0.112 2.377 1.00 0.31 O ATOM 127 H GLY A 7 -5.990 0.256 0.868 1.00 0.19 H ATOM 128 HA2 GLY A 7 -3.619 1.778 1.389 1.00 0.34 H ATOM 129 HA3 GLY A 7 -4.731 1.136 2.589 1.00 0.31 H ATOM 130 N LYS A 8 -3.585 -1.441 2.021 1.00 0.15 N ATOM 131 CA LYS A 8 -2.685 -2.555 2.316 1.00 0.18 C ATOM 132 C LYS A 8 -1.582 -2.644 1.269 1.00 0.16 C ATOM 133 O LYS A 8 -0.398 -2.708 1.604 1.00 0.22 O ATOM 134 CB LYS A 8 -3.441 -3.880 2.374 1.00 0.23 C ATOM 135 CG LYS A 8 -4.603 -3.894 3.354 1.00 1.19 C ATOM 136 CD LYS A 8 -4.138 -3.657 4.782 1.00 1.71 C ATOM 137 CE LYS A 8 -5.254 -3.911 5.782 1.00 2.35 C ATOM 138 NZ LYS A 8 -5.695 -5.330 5.767 1.00 2.94 N ATOM 139 H LYS A 8 -4.531 -1.620 1.795 1.00 0.14 H ATOM 140 HA LYS A 8 -2.233 -2.366 3.279 1.00 0.24 H ATOM 141 HB2 LYS A 8 -3.821 -4.105 1.391 1.00 0.89 H ATOM 142 HB3 LYS A 8 -2.750 -4.658 2.663 1.00 0.94 H ATOM 143 HG2 LYS A 8 -5.300 -3.116 3.081 1.00 1.93 H ATOM 144 HG3 LYS A 8 -5.095 -4.854 3.300 1.00 1.83 H ATOM 145 HD2 LYS A 8 -3.316 -4.322 4.998 1.00 2.15 H ATOM 146 HD3 LYS A 8 -3.809 -2.632 4.876 1.00 2.21 H ATOM 147 HE2 LYS A 8 -4.899 -3.664 6.770 1.00 2.75 H ATOM 148 HE3 LYS A 8 -6.093 -3.280 5.533 1.00 2.81 H ATOM 149 HZ1 LYS A 8 -4.927 -5.932 5.988 1.00 3.31 H ATOM 150 HZ2 LYS A 8 -6.042 -5.576 4.863 1.00 3.26 H ATOM 151 HZ3 LYS A 8 -6.423 -5.473 6.439 1.00 3.29 H ATOM 152 N VAL A 9 -1.975 -2.640 -0.003 1.00 0.13 N ATOM 153 CA VAL A 9 -1.012 -2.683 -1.094 1.00 0.16 C ATOM 154 C VAL A 9 -0.247 -1.364 -1.170 1.00 0.15 C ATOM 155 O VAL A 9 0.912 -1.339 -1.570 1.00 0.18 O ATOM 156 CB VAL A 9 -1.701 -2.996 -2.444 1.00 0.19 C ATOM 157 CG1 VAL A 9 -0.723 -2.890 -3.606 1.00 0.26 C ATOM 158 CG2 VAL A 9 -2.314 -4.388 -2.404 1.00 0.22 C ATOM 159 H VAL A 9 -2.931 -2.610 -0.211 1.00 0.13 H ATOM 160 HA VAL A 9 -0.309 -3.477 -0.880 1.00 0.20 H ATOM 161 HB VAL A 9 -2.494 -2.280 -2.598 1.00 0.19 H ATOM 162 HG11 VAL A 9 0.081 -3.596 -3.466 1.00 1.05 H ATOM 163 HG12 VAL A 9 -0.321 -1.889 -3.647 1.00 1.04 H ATOM 164 HG13 VAL A 9 -1.236 -3.108 -4.530 1.00 1.05 H ATOM 165 HG21 VAL A 9 -1.539 -5.118 -2.232 1.00 1.03 H ATOM 166 HG22 VAL A 9 -2.801 -4.593 -3.345 1.00 1.06 H ATOM 167 HG23 VAL A 9 -3.041 -4.439 -1.605 1.00 1.04 H ATOM 168 N LYS A 10 -0.898 -0.277 -0.762 1.00 0.19 N ATOM 169 CA LYS A 10 -0.228 1.024 -0.653 1.00 0.26 C ATOM 170 C LYS A 10 1.067 0.905 0.143 1.00 0.19 C ATOM 171 O LYS A 10 2.124 1.332 -0.312 1.00 0.18 O ATOM 172 CB LYS A 10 -1.135 2.044 0.036 1.00 0.40 C ATOM 173 CG LYS A 10 -0.487 3.403 0.247 1.00 0.53 C ATOM 174 CD LYS A 10 -1.278 4.254 1.229 1.00 1.08 C ATOM 175 CE LYS A 10 -1.313 3.620 2.613 1.00 1.79 C ATOM 176 NZ LYS A 10 -2.032 4.464 3.601 1.00 2.56 N ATOM 177 H LYS A 10 -1.861 -0.344 -0.553 1.00 0.20 H ATOM 178 HA LYS A 10 0.001 1.368 -1.651 1.00 0.32 H ATOM 179 HB2 LYS A 10 -2.021 2.180 -0.564 1.00 0.48 H ATOM 180 HB3 LYS A 10 -1.420 1.652 0.998 1.00 0.43 H ATOM 181 HG2 LYS A 10 0.511 3.261 0.632 1.00 1.00 H ATOM 182 HG3 LYS A 10 -0.437 3.918 -0.702 1.00 1.00 H ATOM 183 HD2 LYS A 10 -0.817 5.227 1.302 1.00 1.54 H ATOM 184 HD3 LYS A 10 -2.291 4.360 0.866 1.00 1.45 H ATOM 185 HE2 LYS A 10 -1.810 2.666 2.546 1.00 2.13 H ATOM 186 HE3 LYS A 10 -0.299 3.472 2.950 1.00 2.18 H ATOM 187 HZ1 LYS A 10 -2.094 3.983 4.477 1.00 2.94 H ATOM 188 HZ2 LYS A 10 -2.955 4.663 3.276 1.00 2.91 H ATOM 189 HZ3 LYS A 10 -1.544 5.325 3.737 1.00 2.98 H ATOM 190 N ASP A 11 0.975 0.316 1.331 1.00 0.21 N ATOM 191 CA ASP A 11 2.136 0.168 2.204 1.00 0.26 C ATOM 192 C ASP A 11 3.180 -0.741 1.563 1.00 0.19 C ATOM 193 O ASP A 11 4.382 -0.520 1.702 1.00 0.25 O ATOM 194 CB ASP A 11 1.716 -0.391 3.567 1.00 0.40 C ATOM 195 CG ASP A 11 2.881 -0.514 4.528 1.00 0.79 C ATOM 196 OD1 ASP A 11 3.339 -1.651 4.770 1.00 1.29 O ATOM 197 OD2 ASP A 11 3.357 0.525 5.037 1.00 0.82 O ATOM 198 H ASP A 11 0.104 -0.024 1.630 1.00 0.24 H ATOM 199 HA ASP A 11 2.569 1.148 2.342 1.00 0.33 H ATOM 200 HB2 ASP A 11 0.980 0.266 4.005 1.00 0.52 H ATOM 201 HB3 ASP A 11 1.281 -1.369 3.430 1.00 0.62 H ATOM 202 N PHE A 12 2.706 -1.755 0.850 1.00 0.17 N ATOM 203 CA PHE A 12 3.579 -2.657 0.106 1.00 0.23 C ATOM 204 C PHE A 12 4.346 -1.878 -0.962 1.00 0.20 C ATOM 205 O PHE A 12 5.533 -2.110 -1.193 1.00 0.31 O ATOM 206 CB PHE A 12 2.742 -3.770 -0.539 1.00 0.30 C ATOM 207 CG PHE A 12 3.534 -4.760 -1.349 1.00 0.44 C ATOM 208 CD1 PHE A 12 4.117 -5.860 -0.745 1.00 0.60 C ATOM 209 CD2 PHE A 12 3.686 -4.593 -2.718 1.00 0.49 C ATOM 210 CE1 PHE A 12 4.838 -6.775 -1.488 1.00 0.74 C ATOM 211 CE2 PHE A 12 4.408 -5.504 -3.465 1.00 0.64 C ATOM 212 CZ PHE A 12 4.984 -6.596 -2.850 1.00 0.75 C ATOM 213 H PHE A 12 1.738 -1.903 0.823 1.00 0.19 H ATOM 214 HA PHE A 12 4.283 -3.094 0.799 1.00 0.30 H ATOM 215 HB2 PHE A 12 2.232 -4.318 0.239 1.00 0.36 H ATOM 216 HB3 PHE A 12 2.007 -3.321 -1.192 1.00 0.27 H ATOM 217 HD1 PHE A 12 4.005 -6.001 0.319 1.00 0.66 H ATOM 218 HD2 PHE A 12 3.235 -3.738 -3.201 1.00 0.49 H ATOM 219 HE1 PHE A 12 5.289 -7.630 -1.004 1.00 0.89 H ATOM 220 HE2 PHE A 12 4.521 -5.360 -4.529 1.00 0.72 H ATOM 221 HZ PHE A 12 5.548 -7.310 -3.431 1.00 0.88 H ATOM 222 N LEU A 13 3.653 -0.948 -1.600 1.00 0.14 N ATOM 223 CA LEU A 13 4.250 -0.118 -2.631 1.00 0.21 C ATOM 224 C LEU A 13 5.160 0.941 -2.019 1.00 0.23 C ATOM 225 O LEU A 13 6.382 0.876 -2.157 1.00 0.33 O ATOM 226 CB LEU A 13 3.162 0.563 -3.465 1.00 0.28 C ATOM 227 CG LEU A 13 2.176 -0.378 -4.155 1.00 0.36 C ATOM 228 CD1 LEU A 13 1.092 0.416 -4.864 1.00 0.47 C ATOM 229 CD2 LEU A 13 2.899 -1.290 -5.133 1.00 0.46 C ATOM 230 H LEU A 13 2.705 -0.821 -1.374 1.00 0.15 H ATOM 231 HA LEU A 13 4.836 -0.757 -3.272 1.00 0.29 H ATOM 232 HB2 LEU A 13 2.602 1.222 -2.816 1.00 0.28 H ATOM 233 HB3 LEU A 13 3.643 1.162 -4.223 1.00 0.35 H ATOM 234 HG LEU A 13 1.700 -0.996 -3.408 1.00 0.32 H ATOM 235 HD11 LEU A 13 0.416 -0.263 -5.362 1.00 1.14 H ATOM 236 HD12 LEU A 13 1.545 1.073 -5.591 1.00 1.14 H ATOM 237 HD13 LEU A 13 0.544 1.002 -4.142 1.00 1.12 H ATOM 238 HD21 LEU A 13 3.422 -0.691 -5.864 1.00 1.13 H ATOM 239 HD22 LEU A 13 2.181 -1.922 -5.635 1.00 1.12 H ATOM 240 HD23 LEU A 13 3.608 -1.905 -4.597 1.00 1.13 H ATOM 241 N VAL A 14 4.549 1.892 -1.320 1.00 0.25 N ATOM 242 CA VAL A 14 5.250 3.049 -0.784 1.00 0.37 C ATOM 243 C VAL A 14 6.320 2.636 0.218 1.00 0.45 C ATOM 244 O VAL A 14 7.496 2.963 0.054 1.00 0.52 O ATOM 245 CB VAL A 14 4.267 4.018 -0.096 1.00 0.53 C ATOM 246 CG1 VAL A 14 4.977 5.290 0.330 1.00 1.22 C ATOM 247 CG2 VAL A 14 3.091 4.334 -1.009 1.00 1.19 C ATOM 248 H VAL A 14 3.585 1.807 -1.147 1.00 0.26 H ATOM 249 HA VAL A 14 5.719 3.568 -1.606 1.00 0.39 H ATOM 250 HB VAL A 14 3.883 3.536 0.792 1.00 1.03 H ATOM 251 HG11 VAL A 14 4.272 5.949 0.814 1.00 1.77 H ATOM 252 HG12 VAL A 14 5.390 5.778 -0.539 1.00 1.79 H ATOM 253 HG13 VAL A 14 5.772 5.044 1.019 1.00 1.76 H ATOM 254 HG21 VAL A 14 2.533 3.429 -1.199 1.00 1.76 H ATOM 255 HG22 VAL A 14 3.458 4.736 -1.942 1.00 1.72 H ATOM 256 HG23 VAL A 14 2.449 5.059 -0.531 1.00 1.78 H ATOM 257 N GLY A 15 5.910 1.909 1.246 1.00 0.54 N ATOM 258 CA GLY A 15 6.838 1.494 2.276 1.00 0.72 C ATOM 259 C GLY A 15 7.902 0.562 1.741 1.00 0.76 C ATOM 260 O GLY A 15 9.078 0.691 2.078 1.00 0.91 O ATOM 261 H GLY A 15 4.968 1.644 1.303 1.00 0.53 H ATOM 262 HA2 GLY A 15 7.315 2.371 2.688 1.00 0.78 H ATOM 263 HA3 GLY A 15 6.293 0.989 3.059 1.00 0.85 H ATOM 264 N GLY A 16 7.491 -0.353 0.876 1.00 0.74 N ATOM 265 CA GLY A 16 8.412 -1.325 0.326 1.00 0.92 C ATOM 266 C GLY A 16 9.491 -0.700 -0.539 1.00 0.95 C ATOM 267 O GLY A 16 10.659 -1.063 -0.434 1.00 1.20 O ATOM 268 H GLY A 16 6.548 -0.370 0.608 1.00 0.67 H ATOM 269 HA2 GLY A 16 8.885 -1.853 1.141 1.00 1.10 H ATOM 270 HA3 GLY A 16 7.856 -2.033 -0.271 1.00 0.95 H ATOM 271 N MET A 17 9.109 0.266 -1.372 1.00 0.82 N ATOM 272 CA MET A 17 10.040 0.854 -2.336 1.00 0.98 C ATOM 273 C MET A 17 11.125 1.684 -1.653 1.00 1.04 C ATOM 274 O MET A 17 12.193 1.905 -2.225 1.00 1.22 O ATOM 275 CB MET A 17 9.298 1.721 -3.357 1.00 1.03 C ATOM 276 CG MET A 17 8.667 2.974 -2.770 1.00 1.22 C ATOM 277 SD MET A 17 7.884 4.017 -4.017 1.00 1.89 S ATOM 278 CE MET A 17 6.635 2.907 -4.666 1.00 2.61 C ATOM 279 H MET A 17 8.180 0.586 -1.342 1.00 0.72 H ATOM 280 HA MET A 17 10.516 0.040 -2.859 1.00 1.18 H ATOM 281 HB2 MET A 17 9.994 2.024 -4.123 1.00 1.50 H ATOM 282 HB3 MET A 17 8.515 1.130 -3.810 1.00 1.56 H ATOM 283 HG2 MET A 17 7.919 2.678 -2.049 1.00 1.64 H ATOM 284 HG3 MET A 17 9.436 3.547 -2.272 1.00 1.77 H ATOM 285 HE1 MET A 17 6.042 3.426 -5.404 1.00 3.04 H ATOM 286 HE2 MET A 17 5.997 2.574 -3.861 1.00 3.03 H ATOM 287 HE3 MET A 17 7.112 2.054 -5.123 1.00 3.03 H ATOM 288 N LYS A 18 10.857 2.147 -0.440 1.00 1.04 N ATOM 289 CA LYS A 18 11.822 2.975 0.272 1.00 1.24 C ATOM 290 C LYS A 18 12.568 2.162 1.328 1.00 1.56 C ATOM 291 O LYS A 18 13.538 2.634 1.922 1.00 2.01 O ATOM 292 CB LYS A 18 11.130 4.204 0.892 1.00 1.56 C ATOM 293 CG LYS A 18 10.029 3.884 1.897 1.00 2.04 C ATOM 294 CD LYS A 18 10.586 3.605 3.284 1.00 2.67 C ATOM 295 CE LYS A 18 9.504 3.136 4.236 1.00 3.27 C ATOM 296 NZ LYS A 18 10.053 2.798 5.574 1.00 3.89 N ATOM 297 H LYS A 18 9.999 1.929 -0.017 1.00 1.02 H ATOM 298 HA LYS A 18 12.543 3.318 -0.454 1.00 1.33 H ATOM 299 HB2 LYS A 18 11.875 4.801 1.394 1.00 2.01 H ATOM 300 HB3 LYS A 18 10.695 4.791 0.094 1.00 1.88 H ATOM 301 HG2 LYS A 18 9.354 4.724 1.957 1.00 2.29 H ATOM 302 HG3 LYS A 18 9.489 3.013 1.556 1.00 2.48 H ATOM 303 HD2 LYS A 18 11.342 2.839 3.210 1.00 3.05 H ATOM 304 HD3 LYS A 18 11.027 4.512 3.672 1.00 3.02 H ATOM 305 HE2 LYS A 18 8.770 3.919 4.345 1.00 3.60 H ATOM 306 HE3 LYS A 18 9.034 2.258 3.818 1.00 3.59 H ATOM 307 HZ1 LYS A 18 9.351 2.351 6.132 1.00 4.24 H ATOM 308 HZ2 LYS A 18 10.352 3.625 6.043 1.00 4.15 H ATOM 309 HZ3 LYS A 18 10.834 2.181 5.482 1.00 4.19 H ATOM 310 N ALA A 19 12.128 0.930 1.543 1.00 1.66 N ATOM 311 CA ALA A 19 12.743 0.067 2.540 1.00 2.22 C ATOM 312 C ALA A 19 13.730 -0.895 1.891 1.00 2.97 C ATOM 313 O ALA A 19 13.945 -2.006 2.375 1.00 3.52 O ATOM 314 CB ALA A 19 11.677 -0.699 3.311 1.00 2.40 C ATOM 315 H ALA A 19 11.374 0.589 1.013 1.00 1.57 H ATOM 316 HA ALA A 19 13.278 0.695 3.240 1.00 2.48 H ATOM 317 HB1 ALA A 19 12.148 -1.296 4.080 1.00 2.69 H ATOM 318 HB2 ALA A 19 11.138 -1.344 2.634 1.00 2.74 H ATOM 319 HB3 ALA A 19 10.991 -0.001 3.768 1.00 2.70 H ATOM 320 N VAL A 20 14.320 -0.465 0.785 1.00 3.41 N ATOM 321 CA VAL A 20 15.309 -1.268 0.090 1.00 4.44 C ATOM 322 C VAL A 20 16.695 -0.664 0.288 1.00 5.14 C ATOM 323 O VAL A 20 17.092 0.203 -0.523 1.00 5.65 O ATOM 324 CB VAL A 20 15.002 -1.373 -1.422 1.00 4.95 C ATOM 325 CG1 VAL A 20 15.979 -2.315 -2.110 1.00 5.47 C ATOM 326 CG2 VAL A 20 13.568 -1.829 -1.650 1.00 5.14 C ATOM 327 OXT VAL A 20 17.370 -1.030 1.273 1.00 5.52 O ATOM 328 H VAL A 20 14.090 0.421 0.433 1.00 3.24 H ATOM 329 HA VAL A 20 15.295 -2.262 0.515 1.00 4.72 H ATOM 330 HB VAL A 20 15.117 -0.393 -1.859 1.00 5.28 H ATOM 331 HG11 VAL A 20 15.905 -3.297 -1.667 1.00 5.70 H ATOM 332 HG12 VAL A 20 16.985 -1.941 -1.988 1.00 5.79 H ATOM 333 HG13 VAL A 20 15.743 -2.376 -3.161 1.00 5.70 H ATOM 334 HG21 VAL A 20 12.888 -1.114 -1.212 1.00 5.35 H ATOM 335 HG22 VAL A 20 13.420 -2.795 -1.189 1.00 5.36 H ATOM 336 HG23 VAL A 20 13.377 -1.904 -2.711 1.00 5.32 H TER 337 VAL A 20 ENDMDL MODEL 11 ATOM 1 N LYS A 1 -7.022 5.712 0.490 1.00 1.55 N ATOM 2 CA LYS A 1 -6.445 4.369 0.710 1.00 1.01 C ATOM 3 C LYS A 1 -6.849 3.818 2.081 1.00 0.98 C ATOM 4 O LYS A 1 -7.916 4.159 2.588 1.00 1.92 O ATOM 5 CB LYS A 1 -4.914 4.392 0.511 1.00 0.98 C ATOM 6 CG LYS A 1 -4.185 5.607 1.084 1.00 0.89 C ATOM 7 CD LYS A 1 -4.101 5.576 2.601 1.00 1.56 C ATOM 8 CE LYS A 1 -3.259 6.726 3.133 1.00 2.04 C ATOM 9 NZ LYS A 1 -3.104 6.673 4.612 1.00 2.60 N ATOM 10 H1 LYS A 1 -6.712 6.342 1.199 1.00 2.00 H ATOM 11 H2 LYS A 1 -8.021 5.665 0.521 1.00 1.96 H ATOM 12 H3 LYS A 1 -6.746 6.064 -0.404 1.00 1.89 H ATOM 13 HA LYS A 1 -6.872 3.715 -0.038 1.00 1.36 H ATOM 14 HB2 LYS A 1 -4.494 3.512 0.968 1.00 1.48 H ATOM 15 HB3 LYS A 1 -4.713 4.354 -0.549 1.00 1.44 H ATOM 16 HG2 LYS A 1 -3.182 5.626 0.683 1.00 1.25 H ATOM 17 HG3 LYS A 1 -4.708 6.502 0.780 1.00 1.20 H ATOM 18 HD2 LYS A 1 -5.097 5.655 3.006 1.00 2.12 H ATOM 19 HD3 LYS A 1 -3.657 4.642 2.908 1.00 2.15 H ATOM 20 HE2 LYS A 1 -2.282 6.678 2.677 1.00 2.47 H ATOM 21 HE3 LYS A 1 -3.735 7.657 2.864 1.00 2.49 H ATOM 22 HZ1 LYS A 1 -3.996 6.733 5.058 1.00 2.97 H ATOM 23 HZ2 LYS A 1 -2.539 7.437 4.923 1.00 2.96 H ATOM 24 HZ3 LYS A 1 -2.659 5.820 4.882 1.00 2.93 H ATOM 25 N ILE A 2 -5.999 2.968 2.665 1.00 0.89 N ATOM 26 CA ILE A 2 -6.334 2.207 3.871 1.00 1.07 C ATOM 27 C ILE A 2 -7.296 1.080 3.507 1.00 0.72 C ATOM 28 O ILE A 2 -6.855 -0.019 3.125 1.00 0.78 O ATOM 29 CB ILE A 2 -6.937 3.076 5.013 1.00 1.69 C ATOM 30 CG1 ILE A 2 -5.956 4.171 5.444 1.00 2.06 C ATOM 31 CG2 ILE A 2 -7.308 2.211 6.216 1.00 2.45 C ATOM 32 CD1 ILE A 2 -4.674 3.642 6.048 1.00 2.60 C ATOM 33 H ILE A 2 -5.118 2.840 2.268 1.00 1.50 H ATOM 34 HA ILE A 2 -5.417 1.764 4.235 1.00 1.35 H ATOM 35 HB ILE A 2 -7.840 3.538 4.643 1.00 1.67 H ATOM 36 HG12 ILE A 2 -5.694 4.766 4.585 1.00 2.57 H ATOM 37 HG13 ILE A 2 -6.434 4.801 6.179 1.00 2.22 H ATOM 38 HG21 ILE A 2 -7.727 2.835 6.992 1.00 2.90 H ATOM 39 HG22 ILE A 2 -6.423 1.717 6.590 1.00 2.80 H ATOM 40 HG23 ILE A 2 -8.035 1.470 5.916 1.00 2.81 H ATOM 41 HD11 ILE A 2 -4.038 4.470 6.324 1.00 3.02 H ATOM 42 HD12 ILE A 2 -4.165 3.022 5.328 1.00 2.98 H ATOM 43 HD13 ILE A 2 -4.904 3.058 6.928 1.00 2.95 H ATOM 44 N LYS A 3 -8.597 1.380 3.545 1.00 0.49 N ATOM 45 CA LYS A 3 -9.630 0.403 3.227 1.00 0.34 C ATOM 46 C LYS A 3 -9.324 -0.259 1.895 1.00 0.24 C ATOM 47 O LYS A 3 -8.584 0.309 1.072 1.00 0.31 O ATOM 48 CB LYS A 3 -11.003 1.073 3.175 1.00 0.53 C ATOM 49 CG LYS A 3 -11.146 2.089 2.057 1.00 1.27 C ATOM 50 CD LYS A 3 -12.546 2.670 2.021 1.00 1.81 C ATOM 51 CE LYS A 3 -12.738 3.574 0.819 1.00 2.59 C ATOM 52 NZ LYS A 3 -14.104 4.146 0.779 1.00 3.26 N ATOM 53 H LYS A 3 -8.867 2.291 3.787 1.00 0.60 H ATOM 54 HA LYS A 3 -9.629 -0.349 4.000 1.00 0.43 H ATOM 55 HB2 LYS A 3 -11.757 0.315 3.042 1.00 1.18 H ATOM 56 HB3 LYS A 3 -11.177 1.578 4.113 1.00 0.99 H ATOM 57 HG2 LYS A 3 -10.439 2.890 2.216 1.00 1.75 H ATOM 58 HG3 LYS A 3 -10.940 1.605 1.113 1.00 1.91 H ATOM 59 HD2 LYS A 3 -13.260 1.861 1.969 1.00 2.21 H ATOM 60 HD3 LYS A 3 -12.712 3.242 2.921 1.00 2.20 H ATOM 61 HE2 LYS A 3 -12.020 4.378 0.869 1.00 3.04 H ATOM 62 HE3 LYS A 3 -12.571 2.997 -0.079 1.00 2.97 H ATOM 63 HZ1 LYS A 3 -14.785 3.415 0.759 1.00 3.57 H ATOM 64 HZ2 LYS A 3 -14.216 4.712 -0.036 1.00 3.65 H ATOM 65 HZ3 LYS A 3 -14.263 4.714 1.586 1.00 3.61 H ATOM 66 N ILE A 4 -9.856 -1.466 1.691 1.00 0.22 N ATOM 67 CA ILE A 4 -9.552 -2.219 0.486 1.00 0.21 C ATOM 68 C ILE A 4 -8.056 -2.586 0.514 1.00 0.14 C ATOM 69 O ILE A 4 -7.300 -2.093 1.366 1.00 0.13 O ATOM 70 CB ILE A 4 -9.915 -1.347 -0.762 1.00 0.30 C ATOM 71 CG1 ILE A 4 -11.419 -1.054 -0.775 1.00 0.60 C ATOM 72 CG2 ILE A 4 -9.499 -1.990 -2.077 1.00 0.25 C ATOM 73 CD1 ILE A 4 -11.845 -0.085 -1.858 1.00 0.77 C ATOM 74 H ILE A 4 -10.457 -1.850 2.364 1.00 0.28 H ATOM 75 HA ILE A 4 -10.149 -3.119 0.479 1.00 0.30 H ATOM 76 HB ILE A 4 -9.385 -0.414 -0.673 1.00 0.46 H ATOM 77 HG12 ILE A 4 -11.955 -1.977 -0.931 1.00 0.68 H ATOM 78 HG13 ILE A 4 -11.705 -0.634 0.180 1.00 0.74 H ATOM 79 HG21 ILE A 4 -10.105 -2.864 -2.255 1.00 1.06 H ATOM 80 HG22 ILE A 4 -8.456 -2.279 -2.018 1.00 1.06 H ATOM 81 HG23 ILE A 4 -9.634 -1.285 -2.882 1.00 1.05 H ATOM 82 HD11 ILE A 4 -11.587 -0.490 -2.826 1.00 1.29 H ATOM 83 HD12 ILE A 4 -11.340 0.860 -1.717 1.00 1.31 H ATOM 84 HD13 ILE A 4 -12.913 0.068 -1.804 1.00 1.30 H ATOM 85 N PRO A 5 -7.586 -3.517 -0.317 1.00 0.18 N ATOM 86 CA PRO A 5 -6.158 -3.623 -0.573 1.00 0.19 C ATOM 87 C PRO A 5 -5.540 -2.325 -1.136 1.00 0.17 C ATOM 88 O PRO A 5 -4.793 -2.367 -2.110 1.00 0.32 O ATOM 89 CB PRO A 5 -6.058 -4.758 -1.593 1.00 0.31 C ATOM 90 CG PRO A 5 -7.279 -5.581 -1.368 1.00 0.46 C ATOM 91 CD PRO A 5 -8.350 -4.618 -0.943 1.00 0.29 C ATOM 92 HA PRO A 5 -5.633 -3.900 0.323 1.00 0.21 H ATOM 93 HB2 PRO A 5 -6.033 -4.347 -2.590 1.00 0.40 H ATOM 94 HB3 PRO A 5 -5.159 -5.326 -1.408 1.00 0.37 H ATOM 95 HG2 PRO A 5 -7.561 -6.076 -2.286 1.00 0.68 H ATOM 96 HG3 PRO A 5 -7.096 -6.307 -0.590 1.00 0.67 H ATOM 97 HD2 PRO A 5 -8.901 -4.270 -1.800 1.00 0.31 H ATOM 98 HD3 PRO A 5 -9.012 -5.082 -0.228 1.00 0.40 H ATOM 99 N TRP A 6 -5.836 -1.174 -0.516 1.00 0.14 N ATOM 100 CA TRP A 6 -5.163 0.064 -0.859 1.00 0.22 C ATOM 101 C TRP A 6 -4.210 0.377 0.259 1.00 0.24 C ATOM 102 O TRP A 6 -3.052 0.715 0.040 1.00 0.35 O ATOM 103 CB TRP A 6 -6.132 1.230 -1.038 1.00 0.27 C ATOM 104 CG TRP A 6 -6.987 1.138 -2.257 1.00 0.31 C ATOM 105 CD1 TRP A 6 -8.342 1.247 -2.306 1.00 0.35 C ATOM 106 CD2 TRP A 6 -6.549 0.931 -3.606 1.00 0.38 C ATOM 107 NE1 TRP A 6 -8.780 1.117 -3.599 1.00 0.41 N ATOM 108 CE2 TRP A 6 -7.699 0.921 -4.417 1.00 0.44 C ATOM 109 CE3 TRP A 6 -5.297 0.751 -4.208 1.00 0.43 C ATOM 110 CZ2 TRP A 6 -7.635 0.737 -5.795 1.00 0.53 C ATOM 111 CZ3 TRP A 6 -5.237 0.571 -5.577 1.00 0.53 C ATOM 112 CH2 TRP A 6 -6.400 0.564 -6.357 1.00 0.57 C ATOM 113 H TRP A 6 -6.507 -1.168 0.228 1.00 0.20 H ATOM 114 HA TRP A 6 -4.605 -0.092 -1.770 1.00 0.27 H ATOM 115 HB2 TRP A 6 -6.785 1.276 -0.181 1.00 0.25 H ATOM 116 HB3 TRP A 6 -5.565 2.146 -1.098 1.00 0.34 H ATOM 117 HD1 TRP A 6 -8.969 1.409 -1.442 1.00 0.35 H ATOM 118 HE1 TRP A 6 -9.717 1.161 -3.890 1.00 0.46 H ATOM 119 HE3 TRP A 6 -4.389 0.754 -3.624 1.00 0.41 H ATOM 120 HZ2 TRP A 6 -8.523 0.730 -6.410 1.00 0.59 H ATOM 121 HZ3 TRP A 6 -4.280 0.430 -6.059 1.00 0.58 H ATOM 122 HH2 TRP A 6 -6.305 0.419 -7.423 1.00 0.66 H ATOM 123 N GLY A 7 -4.714 0.252 1.472 1.00 0.20 N ATOM 124 CA GLY A 7 -3.839 0.262 2.618 1.00 0.27 C ATOM 125 C GLY A 7 -2.903 -0.917 2.560 1.00 0.23 C ATOM 126 O GLY A 7 -1.726 -0.810 2.891 1.00 0.31 O ATOM 127 H GLY A 7 -5.697 0.152 1.591 1.00 0.19 H ATOM 128 HA2 GLY A 7 -3.265 1.178 2.623 1.00 0.34 H ATOM 129 HA3 GLY A 7 -4.428 0.201 3.519 1.00 0.31 H ATOM 130 N LYS A 8 -3.429 -2.043 2.091 1.00 0.15 N ATOM 131 CA LYS A 8 -2.626 -3.249 1.961 1.00 0.18 C ATOM 132 C LYS A 8 -1.537 -3.077 0.903 1.00 0.16 C ATOM 133 O LYS A 8 -0.353 -3.009 1.227 1.00 0.22 O ATOM 134 CB LYS A 8 -3.513 -4.444 1.612 1.00 0.23 C ATOM 135 CG LYS A 8 -4.648 -4.663 2.597 1.00 1.19 C ATOM 136 CD LYS A 8 -5.430 -5.925 2.278 1.00 1.71 C ATOM 137 CE LYS A 8 -6.455 -6.234 3.358 1.00 2.35 C ATOM 138 NZ LYS A 8 -5.814 -6.494 4.675 1.00 2.94 N ATOM 139 H LYS A 8 -4.386 -2.063 1.833 1.00 0.14 H ATOM 140 HA LYS A 8 -2.155 -3.433 2.913 1.00 0.24 H ATOM 141 HB2 LYS A 8 -3.936 -4.288 0.630 1.00 0.89 H ATOM 142 HB3 LYS A 8 -2.905 -5.335 1.594 1.00 0.94 H ATOM 143 HG2 LYS A 8 -4.238 -4.749 3.591 1.00 1.93 H ATOM 144 HG3 LYS A 8 -5.316 -3.816 2.554 1.00 1.83 H ATOM 145 HD2 LYS A 8 -5.942 -5.792 1.337 1.00 2.15 H ATOM 146 HD3 LYS A 8 -4.741 -6.753 2.201 1.00 2.21 H ATOM 147 HE2 LYS A 8 -7.125 -5.393 3.453 1.00 2.75 H ATOM 148 HE3 LYS A 8 -7.015 -7.108 3.063 1.00 2.81 H ATOM 149 HZ1 LYS A 8 -5.159 -7.247 4.595 1.00 3.31 H ATOM 150 HZ2 LYS A 8 -6.505 -6.745 5.352 1.00 3.26 H ATOM 151 HZ3 LYS A 8 -5.333 -5.676 4.992 1.00 3.29 H ATOM 152 N VAL A 9 -1.949 -2.972 -0.353 1.00 0.13 N ATOM 153 CA VAL A 9 -1.012 -2.960 -1.472 1.00 0.16 C ATOM 154 C VAL A 9 -0.224 -1.654 -1.560 1.00 0.15 C ATOM 155 O VAL A 9 1.004 -1.666 -1.536 1.00 0.18 O ATOM 156 CB VAL A 9 -1.739 -3.207 -2.809 1.00 0.19 C ATOM 157 CG1 VAL A 9 -0.766 -3.139 -3.978 1.00 0.26 C ATOM 158 CG2 VAL A 9 -2.444 -4.553 -2.787 1.00 0.22 C ATOM 159 H VAL A 9 -2.906 -2.905 -0.536 1.00 0.13 H ATOM 160 HA VAL A 9 -0.315 -3.771 -1.320 1.00 0.20 H ATOM 161 HB VAL A 9 -2.485 -2.435 -2.940 1.00 0.19 H ATOM 162 HG11 VAL A 9 -0.009 -3.901 -3.860 1.00 1.05 H ATOM 163 HG12 VAL A 9 -0.298 -2.166 -4.000 1.00 1.04 H ATOM 164 HG13 VAL A 9 -1.301 -3.304 -4.901 1.00 1.05 H ATOM 165 HG21 VAL A 9 -1.719 -5.335 -2.607 1.00 1.03 H ATOM 166 HG22 VAL A 9 -2.928 -4.721 -3.737 1.00 1.06 H ATOM 167 HG23 VAL A 9 -3.182 -4.558 -1.999 1.00 1.04 H ATOM 168 N LYS A 10 -0.932 -0.531 -1.649 1.00 0.19 N ATOM 169 CA LYS A 10 -0.286 0.760 -1.881 1.00 0.26 C ATOM 170 C LYS A 10 0.725 1.088 -0.783 1.00 0.19 C ATOM 171 O LYS A 10 1.827 1.555 -1.073 1.00 0.18 O ATOM 172 CB LYS A 10 -1.336 1.875 -2.021 1.00 0.40 C ATOM 173 CG LYS A 10 -0.753 3.272 -2.205 1.00 0.53 C ATOM 174 CD LYS A 10 -0.716 4.047 -0.894 1.00 1.08 C ATOM 175 CE LYS A 10 -0.062 5.409 -1.063 1.00 1.79 C ATOM 176 NZ LYS A 10 -0.742 6.237 -2.094 1.00 2.56 N ATOM 177 H LYS A 10 -1.907 -0.568 -1.552 1.00 0.20 H ATOM 178 HA LYS A 10 0.252 0.681 -2.816 1.00 0.32 H ATOM 179 HB2 LYS A 10 -1.960 1.658 -2.874 1.00 0.48 H ATOM 180 HB3 LYS A 10 -1.950 1.882 -1.132 1.00 0.43 H ATOM 181 HG2 LYS A 10 0.254 3.183 -2.585 1.00 1.00 H ATOM 182 HG3 LYS A 10 -1.359 3.813 -2.915 1.00 1.00 H ATOM 183 HD2 LYS A 10 -1.729 4.189 -0.542 1.00 1.54 H ATOM 184 HD3 LYS A 10 -0.157 3.476 -0.167 1.00 1.45 H ATOM 185 HE2 LYS A 10 -0.096 5.928 -0.119 1.00 2.13 H ATOM 186 HE3 LYS A 10 0.969 5.263 -1.354 1.00 2.18 H ATOM 187 HZ1 LYS A 10 -1.719 6.304 -1.893 1.00 2.94 H ATOM 188 HZ2 LYS A 10 -0.625 5.829 -2.998 1.00 2.91 H ATOM 189 HZ3 LYS A 10 -0.352 7.158 -2.106 1.00 2.98 H ATOM 190 N ASP A 11 0.373 0.818 0.472 1.00 0.21 N ATOM 191 CA ASP A 11 1.279 1.119 1.575 1.00 0.26 C ATOM 192 C ASP A 11 2.466 0.164 1.566 1.00 0.19 C ATOM 193 O ASP A 11 3.571 0.529 1.967 1.00 0.25 O ATOM 194 CB ASP A 11 0.558 1.048 2.918 1.00 0.40 C ATOM 195 CG ASP A 11 1.425 1.524 4.067 1.00 0.79 C ATOM 196 OD1 ASP A 11 1.814 0.691 4.910 1.00 1.29 O ATOM 197 OD2 ASP A 11 1.727 2.735 4.128 1.00 0.82 O ATOM 198 H ASP A 11 -0.501 0.408 0.660 1.00 0.24 H ATOM 199 HA ASP A 11 1.646 2.124 1.429 1.00 0.33 H ATOM 200 HB2 ASP A 11 -0.326 1.665 2.878 1.00 0.52 H ATOM 201 HB3 ASP A 11 0.268 0.025 3.110 1.00 0.62 H ATOM 202 N PHE A 12 2.235 -1.055 1.094 1.00 0.17 N ATOM 203 CA PHE A 12 3.305 -2.036 0.957 1.00 0.23 C ATOM 204 C PHE A 12 4.279 -1.594 -0.128 1.00 0.20 C ATOM 205 O PHE A 12 5.495 -1.691 0.036 1.00 0.31 O ATOM 206 CB PHE A 12 2.739 -3.420 0.617 1.00 0.30 C ATOM 207 CG PHE A 12 3.794 -4.484 0.482 1.00 0.44 C ATOM 208 CD1 PHE A 12 4.389 -5.035 1.607 1.00 0.60 C ATOM 209 CD2 PHE A 12 4.193 -4.930 -0.769 1.00 0.49 C ATOM 210 CE1 PHE A 12 5.362 -6.010 1.485 1.00 0.74 C ATOM 211 CE2 PHE A 12 5.165 -5.905 -0.896 1.00 0.64 C ATOM 212 CZ PHE A 12 5.749 -6.445 0.233 1.00 0.75 C ATOM 213 H PHE A 12 1.323 -1.300 0.828 1.00 0.19 H ATOM 214 HA PHE A 12 3.831 -2.090 1.899 1.00 0.30 H ATOM 215 HB2 PHE A 12 2.055 -3.726 1.395 1.00 0.36 H ATOM 216 HB3 PHE A 12 2.205 -3.362 -0.319 1.00 0.27 H ATOM 217 HD1 PHE A 12 4.087 -4.695 2.586 1.00 0.66 H ATOM 218 HD2 PHE A 12 3.737 -4.510 -1.652 1.00 0.49 H ATOM 219 HE1 PHE A 12 5.819 -6.431 2.370 1.00 0.89 H ATOM 220 HE2 PHE A 12 5.467 -6.244 -1.876 1.00 0.72 H ATOM 221 HZ PHE A 12 6.509 -7.208 0.137 1.00 0.88 H ATOM 222 N LEU A 13 3.732 -1.098 -1.231 1.00 0.14 N ATOM 223 CA LEU A 13 4.539 -0.610 -2.341 1.00 0.21 C ATOM 224 C LEU A 13 5.432 0.540 -1.890 1.00 0.23 C ATOM 225 O LEU A 13 6.637 0.545 -2.156 1.00 0.33 O ATOM 226 CB LEU A 13 3.638 -0.155 -3.490 1.00 0.28 C ATOM 227 CG LEU A 13 2.760 -1.247 -4.106 1.00 0.36 C ATOM 228 CD1 LEU A 13 1.895 -0.670 -5.213 1.00 0.47 C ATOM 229 CD2 LEU A 13 3.614 -2.392 -4.637 1.00 0.46 C ATOM 230 H LEU A 13 2.752 -1.069 -1.304 1.00 0.15 H ATOM 231 HA LEU A 13 5.163 -1.423 -2.681 1.00 0.29 H ATOM 232 HB2 LEU A 13 2.992 0.629 -3.123 1.00 0.28 H ATOM 233 HB3 LEU A 13 4.263 0.252 -4.267 1.00 0.35 H ATOM 234 HG LEU A 13 2.105 -1.644 -3.343 1.00 0.32 H ATOM 235 HD11 LEU A 13 1.279 -1.450 -5.633 1.00 1.14 H ATOM 236 HD12 LEU A 13 2.526 -0.256 -5.985 1.00 1.14 H ATOM 237 HD13 LEU A 13 1.264 0.107 -4.808 1.00 1.12 H ATOM 238 HD21 LEU A 13 4.154 -2.847 -3.821 1.00 1.13 H ATOM 239 HD22 LEU A 13 4.317 -2.010 -5.363 1.00 1.12 H ATOM 240 HD23 LEU A 13 2.979 -3.130 -5.104 1.00 1.13 H ATOM 241 N VAL A 14 4.837 1.506 -1.198 1.00 0.25 N ATOM 242 CA VAL A 14 5.584 2.633 -0.664 1.00 0.37 C ATOM 243 C VAL A 14 6.584 2.152 0.388 1.00 0.45 C ATOM 244 O VAL A 14 7.711 2.644 0.463 1.00 0.52 O ATOM 245 CB VAL A 14 4.640 3.689 -0.050 1.00 0.53 C ATOM 246 CG1 VAL A 14 5.427 4.876 0.472 1.00 1.22 C ATOM 247 CG2 VAL A 14 3.611 4.147 -1.072 1.00 1.19 C ATOM 248 H VAL A 14 3.870 1.464 -1.046 1.00 0.26 H ATOM 249 HA VAL A 14 6.122 3.091 -1.480 1.00 0.39 H ATOM 250 HB VAL A 14 4.116 3.238 0.780 1.00 1.03 H ATOM 251 HG11 VAL A 14 5.959 5.341 -0.345 1.00 1.77 H ATOM 252 HG12 VAL A 14 6.133 4.539 1.214 1.00 1.79 H ATOM 253 HG13 VAL A 14 4.750 5.590 0.915 1.00 1.76 H ATOM 254 HG21 VAL A 14 3.015 3.301 -1.386 1.00 1.76 H ATOM 255 HG22 VAL A 14 4.115 4.568 -1.930 1.00 1.72 H ATOM 256 HG23 VAL A 14 2.970 4.894 -0.629 1.00 1.78 H ATOM 257 N GLY A 15 6.169 1.170 1.180 1.00 0.54 N ATOM 258 CA GLY A 15 7.051 0.583 2.174 1.00 0.72 C ATOM 259 C GLY A 15 8.268 -0.069 1.547 1.00 0.76 C ATOM 260 O GLY A 15 9.371 0.003 2.088 1.00 0.91 O ATOM 261 H GLY A 15 5.247 0.842 1.096 1.00 0.53 H ATOM 262 HA2 GLY A 15 7.376 1.354 2.855 1.00 0.78 H ATOM 263 HA3 GLY A 15 6.503 -0.164 2.726 1.00 0.85 H ATOM 264 N GLY A 16 8.067 -0.700 0.401 1.00 0.74 N ATOM 265 CA GLY A 16 9.162 -1.336 -0.301 1.00 0.92 C ATOM 266 C GLY A 16 10.170 -0.336 -0.831 1.00 0.95 C ATOM 267 O GLY A 16 11.376 -0.502 -0.645 1.00 1.20 O ATOM 268 H GLY A 16 7.157 -0.750 0.032 1.00 0.67 H ATOM 269 HA2 GLY A 16 9.664 -2.012 0.375 1.00 1.10 H ATOM 270 HA3 GLY A 16 8.762 -1.901 -1.129 1.00 0.95 H ATOM 271 N MET A 17 9.679 0.722 -1.467 1.00 0.82 N ATOM 272 CA MET A 17 10.560 1.709 -2.087 1.00 0.98 C ATOM 273 C MET A 17 11.290 2.547 -1.037 1.00 1.04 C ATOM 274 O MET A 17 12.383 3.049 -1.294 1.00 1.22 O ATOM 275 CB MET A 17 9.786 2.617 -3.051 1.00 1.03 C ATOM 276 CG MET A 17 8.722 3.473 -2.385 1.00 1.22 C ATOM 277 SD MET A 17 7.818 4.507 -3.559 1.00 1.89 S ATOM 278 CE MET A 17 7.101 3.271 -4.641 1.00 2.61 C ATOM 279 H MET A 17 8.706 0.838 -1.526 1.00 0.72 H ATOM 280 HA MET A 17 11.301 1.163 -2.655 1.00 1.18 H ATOM 281 HB2 MET A 17 10.485 3.275 -3.544 1.00 1.50 H ATOM 282 HB3 MET A 17 9.304 2.001 -3.795 1.00 1.56 H ATOM 283 HG2 MET A 17 8.021 2.823 -1.886 1.00 1.64 H ATOM 284 HG3 MET A 17 9.199 4.112 -1.657 1.00 1.77 H ATOM 285 HE1 MET A 17 6.491 3.756 -5.388 1.00 3.04 H ATOM 286 HE2 MET A 17 6.490 2.594 -4.061 1.00 3.03 H ATOM 287 HE3 MET A 17 7.890 2.715 -5.129 1.00 3.03 H ATOM 288 N LYS A 18 10.698 2.688 0.149 1.00 1.04 N ATOM 289 CA LYS A 18 11.337 3.450 1.222 1.00 1.24 C ATOM 290 C LYS A 18 12.338 2.574 1.973 1.00 1.56 C ATOM 291 O LYS A 18 13.186 3.075 2.715 1.00 2.01 O ATOM 292 CB LYS A 18 10.299 4.016 2.202 1.00 1.56 C ATOM 293 CG LYS A 18 9.650 2.966 3.090 1.00 2.04 C ATOM 294 CD LYS A 18 8.694 3.584 4.102 1.00 2.67 C ATOM 295 CE LYS A 18 7.508 4.250 3.426 1.00 3.27 C ATOM 296 NZ LYS A 18 6.543 4.802 4.411 1.00 3.89 N ATOM 297 H LYS A 18 9.817 2.282 0.301 1.00 1.02 H ATOM 298 HA LYS A 18 11.872 4.271 0.767 1.00 1.33 H ATOM 299 HB2 LYS A 18 10.783 4.742 2.838 1.00 2.01 H ATOM 300 HB3 LYS A 18 9.521 4.507 1.637 1.00 1.88 H ATOM 301 HG2 LYS A 18 9.100 2.276 2.469 1.00 2.29 H ATOM 302 HG3 LYS A 18 10.425 2.432 3.621 1.00 2.48 H ATOM 303 HD2 LYS A 18 8.331 2.808 4.759 1.00 3.05 H ATOM 304 HD3 LYS A 18 9.230 4.323 4.679 1.00 3.02 H ATOM 305 HE2 LYS A 18 7.869 5.054 2.804 1.00 3.60 H ATOM 306 HE3 LYS A 18 7.003 3.519 2.810 1.00 3.59 H ATOM 307 HZ1 LYS A 18 6.248 4.083 5.044 1.00 4.24 H ATOM 308 HZ2 LYS A 18 5.738 5.162 3.943 1.00 4.15 H ATOM 309 HZ3 LYS A 18 6.966 5.540 4.935 1.00 4.19 H ATOM 310 N ALA A 19 12.228 1.262 1.785 1.00 1.66 N ATOM 311 CA ALA A 19 13.144 0.319 2.411 1.00 2.22 C ATOM 312 C ALA A 19 14.388 0.138 1.553 1.00 2.97 C ATOM 313 O ALA A 19 15.470 -0.153 2.066 1.00 3.52 O ATOM 314 CB ALA A 19 12.457 -1.017 2.642 1.00 2.40 C ATOM 315 H ALA A 19 11.509 0.921 1.213 1.00 1.57 H ATOM 316 HA ALA A 19 13.435 0.722 3.372 1.00 2.48 H ATOM 317 HB1 ALA A 19 11.578 -0.870 3.253 1.00 2.69 H ATOM 318 HB2 ALA A 19 13.137 -1.690 3.145 1.00 2.74 H ATOM 319 HB3 ALA A 19 12.167 -1.442 1.692 1.00 2.70 H ATOM 320 N VAL A 20 14.216 0.335 0.245 1.00 3.41 N ATOM 321 CA VAL A 20 15.300 0.204 -0.724 1.00 4.44 C ATOM 322 C VAL A 20 15.791 -1.243 -0.785 1.00 5.14 C ATOM 323 O VAL A 20 15.212 -2.028 -1.566 1.00 5.65 O ATOM 324 CB VAL A 20 16.480 1.157 -0.412 1.00 4.95 C ATOM 325 CG1 VAL A 20 17.548 1.073 -1.492 1.00 5.47 C ATOM 326 CG2 VAL A 20 15.988 2.591 -0.264 1.00 5.14 C ATOM 327 OXT VAL A 20 16.738 -1.599 -0.049 1.00 5.52 O ATOM 328 H VAL A 20 13.323 0.569 -0.080 1.00 3.24 H ATOM 329 HA VAL A 20 14.901 0.470 -1.693 1.00 4.72 H ATOM 330 HB VAL A 20 16.922 0.855 0.523 1.00 5.28 H ATOM 331 HG11 VAL A 20 17.125 1.370 -2.441 1.00 5.70 H ATOM 332 HG12 VAL A 20 17.909 0.059 -1.561 1.00 5.79 H ATOM 333 HG13 VAL A 20 18.367 1.731 -1.241 1.00 5.70 H ATOM 334 HG21 VAL A 20 15.515 2.906 -1.181 1.00 5.35 H ATOM 335 HG22 VAL A 20 16.826 3.237 -0.050 1.00 5.36 H ATOM 336 HG23 VAL A 20 15.275 2.646 0.546 1.00 5.32 H TER 337 VAL A 20 ENDMDL MODEL 12 ATOM 1 N LYS A 1 -5.874 6.595 -0.491 1.00 1.55 N ATOM 2 CA LYS A 1 -6.374 5.208 -0.617 1.00 1.01 C ATOM 3 C LYS A 1 -5.959 4.379 0.592 1.00 0.98 C ATOM 4 O LYS A 1 -4.769 4.217 0.868 1.00 1.92 O ATOM 5 CB LYS A 1 -5.854 4.563 -1.912 1.00 0.98 C ATOM 6 CG LYS A 1 -4.344 4.659 -2.096 1.00 0.89 C ATOM 7 CD LYS A 1 -3.900 3.994 -3.389 1.00 1.56 C ATOM 8 CE LYS A 1 -2.410 4.171 -3.627 1.00 2.04 C ATOM 9 NZ LYS A 1 -1.992 3.613 -4.938 1.00 2.60 N ATOM 10 H1 LYS A 1 -6.137 7.132 -1.292 1.00 2.00 H ATOM 11 H2 LYS A 1 -4.880 6.600 -0.413 1.00 1.96 H ATOM 12 H3 LYS A 1 -6.261 7.025 0.327 1.00 1.89 H ATOM 13 HA LYS A 1 -7.453 5.244 -0.652 1.00 1.36 H ATOM 14 HB2 LYS A 1 -6.127 3.519 -1.912 1.00 1.48 H ATOM 15 HB3 LYS A 1 -6.328 5.046 -2.755 1.00 1.44 H ATOM 16 HG2 LYS A 1 -4.060 5.700 -2.123 1.00 1.25 H ATOM 17 HG3 LYS A 1 -3.855 4.173 -1.264 1.00 1.20 H ATOM 18 HD2 LYS A 1 -4.123 2.939 -3.334 1.00 2.12 H ATOM 19 HD3 LYS A 1 -4.443 4.436 -4.213 1.00 2.15 H ATOM 20 HE2 LYS A 1 -2.176 5.225 -3.604 1.00 2.47 H ATOM 21 HE3 LYS A 1 -1.869 3.667 -2.840 1.00 2.49 H ATOM 22 HZ1 LYS A 1 -1.022 3.800 -5.102 1.00 2.97 H ATOM 23 HZ2 LYS A 1 -2.526 4.026 -5.675 1.00 2.96 H ATOM 24 HZ3 LYS A 1 -2.137 2.625 -4.953 1.00 2.93 H ATOM 25 N ILE A 2 -6.944 3.873 1.323 1.00 0.89 N ATOM 26 CA ILE A 2 -6.681 3.077 2.515 1.00 1.07 C ATOM 27 C ILE A 2 -7.508 1.795 2.491 1.00 0.72 C ATOM 28 O ILE A 2 -6.966 0.687 2.346 1.00 0.78 O ATOM 29 CB ILE A 2 -7.018 3.858 3.804 1.00 1.69 C ATOM 30 CG1 ILE A 2 -6.423 5.265 3.760 1.00 2.06 C ATOM 31 CG2 ILE A 2 -6.498 3.106 5.021 1.00 2.45 C ATOM 32 CD1 ILE A 2 -6.867 6.146 4.907 1.00 2.60 C ATOM 33 H ILE A 2 -7.876 4.041 1.059 1.00 1.50 H ATOM 34 HA ILE A 2 -5.631 2.826 2.529 1.00 1.35 H ATOM 35 HB ILE A 2 -8.093 3.928 3.887 1.00 1.67 H ATOM 36 HG12 ILE A 2 -5.347 5.196 3.795 1.00 2.57 H ATOM 37 HG13 ILE A 2 -6.719 5.745 2.838 1.00 2.22 H ATOM 38 HG21 ILE A 2 -6.769 3.644 5.919 1.00 2.90 H ATOM 39 HG22 ILE A 2 -5.423 3.027 4.961 1.00 2.80 H ATOM 40 HG23 ILE A 2 -6.930 2.118 5.046 1.00 2.81 H ATOM 41 HD11 ILE A 2 -6.570 5.695 5.843 1.00 3.02 H ATOM 42 HD12 ILE A 2 -7.941 6.254 4.884 1.00 2.98 H ATOM 43 HD13 ILE A 2 -6.406 7.118 4.814 1.00 2.95 H ATOM 44 N LYS A 3 -8.828 1.968 2.594 1.00 0.49 N ATOM 45 CA LYS A 3 -9.775 0.853 2.660 1.00 0.34 C ATOM 46 C LYS A 3 -9.480 -0.165 1.572 1.00 0.24 C ATOM 47 O LYS A 3 -8.860 0.175 0.551 1.00 0.31 O ATOM 48 CB LYS A 3 -11.208 1.369 2.507 1.00 0.53 C ATOM 49 CG LYS A 3 -11.582 2.439 3.518 1.00 1.27 C ATOM 50 CD LYS A 3 -12.953 3.019 3.222 1.00 1.81 C ATOM 51 CE LYS A 3 -13.244 4.225 4.096 1.00 2.59 C ATOM 52 NZ LYS A 3 -14.558 4.836 3.774 1.00 3.26 N ATOM 53 H LYS A 3 -9.178 2.881 2.613 1.00 0.60 H ATOM 54 HA LYS A 3 -9.670 0.379 3.623 1.00 0.43 H ATOM 55 HB2 LYS A 3 -11.325 1.783 1.517 1.00 1.18 H ATOM 56 HB3 LYS A 3 -11.890 0.540 2.623 1.00 0.99 H ATOM 57 HG2 LYS A 3 -11.594 2.001 4.504 1.00 1.75 H ATOM 58 HG3 LYS A 3 -10.851 3.231 3.483 1.00 1.91 H ATOM 59 HD2 LYS A 3 -12.991 3.320 2.186 1.00 2.21 H ATOM 60 HD3 LYS A 3 -13.700 2.262 3.406 1.00 2.20 H ATOM 61 HE2 LYS A 3 -13.246 3.912 5.129 1.00 3.04 H ATOM 62 HE3 LYS A 3 -12.468 4.959 3.944 1.00 2.97 H ATOM 63 HZ1 LYS A 3 -14.601 5.071 2.803 1.00 3.57 H ATOM 64 HZ2 LYS A 3 -14.687 5.668 4.310 1.00 3.65 H ATOM 65 HZ3 LYS A 3 -15.297 4.197 3.989 1.00 3.61 H ATOM 66 N ILE A 4 -9.893 -1.417 1.795 1.00 0.22 N ATOM 67 CA ILE A 4 -9.585 -2.483 0.856 1.00 0.21 C ATOM 68 C ILE A 4 -8.064 -2.711 0.860 1.00 0.14 C ATOM 69 O ILE A 4 -7.312 -1.931 1.462 1.00 0.13 O ATOM 70 CB ILE A 4 -10.121 -2.077 -0.557 1.00 0.30 C ATOM 71 CG1 ILE A 4 -11.637 -2.294 -0.620 1.00 0.60 C ATOM 72 CG2 ILE A 4 -9.424 -2.801 -1.703 1.00 0.25 C ATOM 73 CD1 ILE A 4 -12.275 -1.790 -1.897 1.00 0.77 C ATOM 74 H ILE A 4 -10.408 -1.619 2.602 1.00 0.28 H ATOM 75 HA ILE A 4 -10.086 -3.382 1.179 1.00 0.30 H ATOM 76 HB ILE A 4 -9.928 -1.023 -0.682 1.00 0.46 H ATOM 77 HG12 ILE A 4 -11.844 -3.350 -0.544 1.00 0.68 H ATOM 78 HG13 ILE A 4 -12.101 -1.781 0.209 1.00 0.74 H ATOM 79 HG21 ILE A 4 -9.655 -2.305 -2.633 1.00 1.06 H ATOM 80 HG22 ILE A 4 -9.769 -3.821 -1.747 1.00 1.06 H ATOM 81 HG23 ILE A 4 -8.352 -2.784 -1.540 1.00 1.05 H ATOM 82 HD11 ILE A 4 -11.837 -2.301 -2.742 1.00 1.29 H ATOM 83 HD12 ILE A 4 -12.105 -0.728 -1.990 1.00 1.31 H ATOM 84 HD13 ILE A 4 -13.337 -1.985 -1.870 1.00 1.30 H ATOM 85 N PRO A 5 -7.558 -3.810 0.299 1.00 0.18 N ATOM 86 CA PRO A 5 -6.150 -3.873 -0.059 1.00 0.19 C ATOM 87 C PRO A 5 -5.744 -2.767 -1.055 1.00 0.17 C ATOM 88 O PRO A 5 -5.104 -3.045 -2.063 1.00 0.32 O ATOM 89 CB PRO A 5 -5.998 -5.262 -0.686 1.00 0.31 C ATOM 90 CG PRO A 5 -7.107 -6.062 -0.097 1.00 0.46 C ATOM 91 CD PRO A 5 -8.245 -5.100 0.087 1.00 0.29 C ATOM 92 HA PRO A 5 -5.530 -3.802 0.818 1.00 0.21 H ATOM 93 HB2 PRO A 5 -6.090 -5.186 -1.759 1.00 0.40 H ATOM 94 HB3 PRO A 5 -5.034 -5.674 -0.429 1.00 0.37 H ATOM 95 HG2 PRO A 5 -7.389 -6.855 -0.774 1.00 0.68 H ATOM 96 HG3 PRO A 5 -6.802 -6.470 0.856 1.00 0.67 H ATOM 97 HD2 PRO A 5 -8.856 -5.073 -0.801 1.00 0.31 H ATOM 98 HD3 PRO A 5 -8.835 -5.369 0.949 1.00 0.40 H ATOM 99 N TRP A 6 -6.124 -1.514 -0.775 1.00 0.14 N ATOM 100 CA TRP A 6 -5.611 -0.386 -1.523 1.00 0.22 C ATOM 101 C TRP A 6 -4.598 0.288 -0.652 1.00 0.24 C ATOM 102 O TRP A 6 -3.505 0.620 -1.088 1.00 0.35 O ATOM 103 CB TRP A 6 -6.701 0.617 -1.905 1.00 0.27 C ATOM 104 CG TRP A 6 -7.601 0.151 -2.998 1.00 0.31 C ATOM 105 CD1 TRP A 6 -8.961 0.132 -2.976 1.00 0.35 C ATOM 106 CD2 TRP A 6 -7.210 -0.359 -4.278 1.00 0.38 C ATOM 107 NE1 TRP A 6 -9.444 -0.360 -4.161 1.00 0.41 N ATOM 108 CE2 TRP A 6 -8.390 -0.670 -4.976 1.00 0.44 C ATOM 109 CE3 TRP A 6 -5.980 -0.584 -4.902 1.00 0.43 C ATOM 110 CZ2 TRP A 6 -8.378 -1.192 -6.263 1.00 0.53 C ATOM 111 CZ3 TRP A 6 -5.968 -1.105 -6.181 1.00 0.53 C ATOM 112 CH2 TRP A 6 -7.161 -1.403 -6.849 1.00 0.57 C ATOM 113 H TRP A 6 -6.745 -1.339 -0.012 1.00 0.20 H ATOM 114 HA TRP A 6 -5.126 -0.758 -2.414 1.00 0.27 H ATOM 115 HB2 TRP A 6 -7.312 0.819 -1.039 1.00 0.25 H ATOM 116 HB3 TRP A 6 -6.232 1.535 -2.229 1.00 0.34 H ATOM 117 HD1 TRP A 6 -9.557 0.458 -2.137 1.00 0.35 H ATOM 118 HE1 TRP A 6 -10.394 -0.475 -4.386 1.00 0.46 H ATOM 119 HE3 TRP A 6 -5.049 -0.359 -4.402 1.00 0.41 H ATOM 120 HZ2 TRP A 6 -9.289 -1.427 -6.790 1.00 0.59 H ATOM 121 HZ3 TRP A 6 -5.029 -1.287 -6.680 1.00 0.58 H ATOM 122 HH2 TRP A 6 -7.106 -1.809 -7.848 1.00 0.66 H ATOM 123 N GLY A 7 -4.984 0.467 0.600 1.00 0.20 N ATOM 124 CA GLY A 7 -4.050 0.909 1.607 1.00 0.27 C ATOM 125 C GLY A 7 -3.051 -0.175 1.939 1.00 0.23 C ATOM 126 O GLY A 7 -1.896 0.115 2.256 1.00 0.31 O ATOM 127 H GLY A 7 -5.937 0.311 0.842 1.00 0.19 H ATOM 128 HA2 GLY A 7 -3.525 1.781 1.244 1.00 0.34 H ATOM 129 HA3 GLY A 7 -4.594 1.169 2.501 1.00 0.31 H ATOM 130 N LYS A 8 -3.490 -1.431 1.860 1.00 0.15 N ATOM 131 CA LYS A 8 -2.591 -2.555 2.113 1.00 0.18 C ATOM 132 C LYS A 8 -1.545 -2.665 1.010 1.00 0.16 C ATOM 133 O LYS A 8 -0.348 -2.770 1.287 1.00 0.22 O ATOM 134 CB LYS A 8 -3.357 -3.871 2.232 1.00 0.23 C ATOM 135 CG LYS A 8 -4.437 -3.850 3.299 1.00 1.19 C ATOM 136 CD LYS A 8 -5.004 -5.237 3.545 1.00 1.71 C ATOM 137 CE LYS A 8 -5.973 -5.239 4.716 1.00 2.35 C ATOM 138 NZ LYS A 8 -6.437 -6.611 5.052 1.00 2.94 N ATOM 139 H LYS A 8 -4.439 -1.600 1.641 1.00 0.14 H ATOM 140 HA LYS A 8 -2.084 -2.361 3.046 1.00 0.24 H ATOM 141 HB2 LYS A 8 -3.814 -4.095 1.282 1.00 0.89 H ATOM 142 HB3 LYS A 8 -2.658 -4.657 2.476 1.00 0.94 H ATOM 143 HG2 LYS A 8 -4.015 -3.476 4.219 1.00 1.93 H ATOM 144 HG3 LYS A 8 -5.236 -3.198 2.975 1.00 1.83 H ATOM 145 HD2 LYS A 8 -5.523 -5.567 2.659 1.00 2.15 H ATOM 146 HD3 LYS A 8 -4.190 -5.914 3.761 1.00 2.21 H ATOM 147 HE2 LYS A 8 -5.476 -4.816 5.576 1.00 2.75 H ATOM 148 HE3 LYS A 8 -6.828 -4.630 4.460 1.00 2.81 H ATOM 149 HZ1 LYS A 8 -6.993 -6.980 4.307 1.00 3.31 H ATOM 150 HZ2 LYS A 8 -6.985 -6.594 5.886 1.00 3.26 H ATOM 151 HZ3 LYS A 8 -5.651 -7.213 5.197 1.00 3.29 H ATOM 152 N VAL A 9 -1.993 -2.641 -0.243 1.00 0.13 N ATOM 153 CA VAL A 9 -1.070 -2.664 -1.368 1.00 0.16 C ATOM 154 C VAL A 9 -0.262 -1.371 -1.402 1.00 0.15 C ATOM 155 O VAL A 9 0.922 -1.379 -1.740 1.00 0.18 O ATOM 156 CB VAL A 9 -1.802 -2.881 -2.711 1.00 0.19 C ATOM 157 CG1 VAL A 9 -0.842 -2.763 -3.887 1.00 0.26 C ATOM 158 CG2 VAL A 9 -2.482 -4.243 -2.727 1.00 0.22 C ATOM 159 H VAL A 9 -2.959 -2.607 -0.413 1.00 0.13 H ATOM 160 HA VAL A 9 -0.389 -3.491 -1.216 1.00 0.20 H ATOM 161 HB VAL A 9 -2.563 -2.120 -2.814 1.00 0.19 H ATOM 162 HG11 VAL A 9 -0.410 -1.772 -3.902 1.00 1.05 H ATOM 163 HG12 VAL A 9 -1.378 -2.936 -4.808 1.00 1.04 H ATOM 164 HG13 VAL A 9 -0.056 -3.495 -3.784 1.00 1.05 H ATOM 165 HG21 VAL A 9 -1.744 -5.016 -2.571 1.00 1.03 H ATOM 166 HG22 VAL A 9 -2.964 -4.394 -3.681 1.00 1.06 H ATOM 167 HG23 VAL A 9 -3.223 -4.287 -1.939 1.00 1.04 H ATOM 168 N LYS A 10 -0.903 -0.266 -1.024 1.00 0.19 N ATOM 169 CA LYS A 10 -0.197 1.004 -0.865 1.00 0.26 C ATOM 170 C LYS A 10 0.989 0.843 0.078 1.00 0.19 C ATOM 171 O LYS A 10 2.103 1.239 -0.246 1.00 0.18 O ATOM 172 CB LYS A 10 -1.122 2.088 -0.312 1.00 0.40 C ATOM 173 CG LYS A 10 -0.410 3.401 -0.056 1.00 0.53 C ATOM 174 CD LYS A 10 -1.205 4.303 0.867 1.00 1.08 C ATOM 175 CE LYS A 10 -0.393 5.522 1.271 1.00 1.79 C ATOM 176 NZ LYS A 10 -1.046 6.285 2.363 1.00 2.56 N ATOM 177 H LYS A 10 -1.881 -0.302 -0.867 1.00 0.20 H ATOM 178 HA LYS A 10 0.166 1.310 -1.835 1.00 0.32 H ATOM 179 HB2 LYS A 10 -1.919 2.264 -1.019 1.00 0.48 H ATOM 180 HB3 LYS A 10 -1.544 1.744 0.621 1.00 0.43 H ATOM 181 HG2 LYS A 10 0.548 3.198 0.397 1.00 1.00 H ATOM 182 HG3 LYS A 10 -0.264 3.906 -0.998 1.00 1.00 H ATOM 183 HD2 LYS A 10 -2.100 4.629 0.354 1.00 1.54 H ATOM 184 HD3 LYS A 10 -1.476 3.751 1.755 1.00 1.45 H ATOM 185 HE2 LYS A 10 0.581 5.195 1.604 1.00 2.13 H ATOM 186 HE3 LYS A 10 -0.281 6.164 0.410 1.00 2.18 H ATOM 187 HZ1 LYS A 10 -0.517 7.107 2.573 1.00 2.94 H ATOM 188 HZ2 LYS A 10 -1.106 5.724 3.187 1.00 2.91 H ATOM 189 HZ3 LYS A 10 -1.969 6.554 2.089 1.00 2.98 H ATOM 190 N ASP A 11 0.735 0.252 1.244 1.00 0.21 N ATOM 191 CA ASP A 11 1.772 0.047 2.256 1.00 0.26 C ATOM 192 C ASP A 11 2.948 -0.735 1.681 1.00 0.19 C ATOM 193 O ASP A 11 4.108 -0.441 1.973 1.00 0.25 O ATOM 194 CB ASP A 11 1.190 -0.700 3.459 1.00 0.40 C ATOM 195 CG ASP A 11 2.202 -0.912 4.572 1.00 0.79 C ATOM 196 OD1 ASP A 11 2.878 -1.961 4.579 1.00 1.29 O ATOM 197 OD2 ASP A 11 2.313 -0.038 5.456 1.00 0.82 O ATOM 198 H ASP A 11 -0.181 -0.051 1.434 1.00 0.24 H ATOM 199 HA ASP A 11 2.121 1.017 2.577 1.00 0.33 H ATOM 200 HB2 ASP A 11 0.362 -0.135 3.859 1.00 0.52 H ATOM 201 HB3 ASP A 11 0.835 -1.666 3.133 1.00 0.62 H ATOM 202 N PHE A 12 2.637 -1.714 0.842 1.00 0.17 N ATOM 203 CA PHE A 12 3.652 -2.553 0.225 1.00 0.23 C ATOM 204 C PHE A 12 4.487 -1.738 -0.760 1.00 0.20 C ATOM 205 O PHE A 12 5.714 -1.841 -0.788 1.00 0.31 O ATOM 206 CB PHE A 12 2.985 -3.735 -0.485 1.00 0.30 C ATOM 207 CG PHE A 12 3.949 -4.719 -1.084 1.00 0.44 C ATOM 208 CD1 PHE A 12 4.629 -5.620 -0.281 1.00 0.60 C ATOM 209 CD2 PHE A 12 4.179 -4.739 -2.451 1.00 0.49 C ATOM 210 CE1 PHE A 12 5.520 -6.523 -0.829 1.00 0.74 C ATOM 211 CE2 PHE A 12 5.068 -5.640 -3.005 1.00 0.64 C ATOM 212 CZ PHE A 12 5.725 -6.547 -2.191 1.00 0.75 C ATOM 213 H PHE A 12 1.694 -1.867 0.621 1.00 0.19 H ATOM 214 HA PHE A 12 4.297 -2.927 1.005 1.00 0.30 H ATOM 215 HB2 PHE A 12 2.371 -4.268 0.224 1.00 0.36 H ATOM 216 HB3 PHE A 12 2.359 -3.358 -1.280 1.00 0.27 H ATOM 217 HD1 PHE A 12 4.457 -5.614 0.786 1.00 0.66 H ATOM 218 HD2 PHE A 12 3.655 -4.042 -3.086 1.00 0.49 H ATOM 219 HE1 PHE A 12 6.043 -7.221 -0.192 1.00 0.89 H ATOM 220 HE2 PHE A 12 5.239 -5.645 -4.071 1.00 0.72 H ATOM 221 HZ PHE A 12 6.416 -7.256 -2.622 1.00 0.88 H ATOM 222 N LEU A 13 3.808 -0.916 -1.552 1.00 0.14 N ATOM 223 CA LEU A 13 4.462 -0.063 -2.534 1.00 0.21 C ATOM 224 C LEU A 13 5.285 1.025 -1.848 1.00 0.23 C ATOM 225 O LEU A 13 6.476 1.180 -2.118 1.00 0.33 O ATOM 226 CB LEU A 13 3.415 0.579 -3.450 1.00 0.28 C ATOM 227 CG LEU A 13 2.571 -0.399 -4.268 1.00 0.36 C ATOM 228 CD1 LEU A 13 1.507 0.348 -5.055 1.00 0.47 C ATOM 229 CD2 LEU A 13 3.450 -1.213 -5.204 1.00 0.46 C ATOM 230 H LEU A 13 2.829 -0.886 -1.475 1.00 0.15 H ATOM 231 HA LEU A 13 5.122 -0.678 -3.127 1.00 0.29 H ATOM 232 HB2 LEU A 13 2.749 1.170 -2.838 1.00 0.28 H ATOM 233 HB3 LEU A 13 3.925 1.237 -4.133 1.00 0.35 H ATOM 234 HG LEU A 13 2.071 -1.083 -3.598 1.00 0.32 H ATOM 235 HD11 LEU A 13 1.981 1.055 -5.719 1.00 1.14 H ATOM 236 HD12 LEU A 13 0.857 0.876 -4.371 1.00 1.14 H ATOM 237 HD13 LEU A 13 0.926 -0.356 -5.634 1.00 1.12 H ATOM 238 HD21 LEU A 13 4.127 -1.822 -4.623 1.00 1.13 H ATOM 239 HD22 LEU A 13 4.018 -0.545 -5.835 1.00 1.12 H ATOM 240 HD23 LEU A 13 2.831 -1.848 -5.819 1.00 1.13 H ATOM 241 N VAL A 14 4.638 1.760 -0.949 1.00 0.25 N ATOM 242 CA VAL A 14 5.279 2.842 -0.216 1.00 0.37 C ATOM 243 C VAL A 14 6.493 2.336 0.548 1.00 0.45 C ATOM 244 O VAL A 14 7.577 2.911 0.453 1.00 0.52 O ATOM 245 CB VAL A 14 4.289 3.510 0.764 1.00 0.53 C ATOM 246 CG1 VAL A 14 5.008 4.474 1.689 1.00 1.22 C ATOM 247 CG2 VAL A 14 3.193 4.233 -0.003 1.00 1.19 C ATOM 248 H VAL A 14 3.693 1.565 -0.766 1.00 0.26 H ATOM 249 HA VAL A 14 5.601 3.584 -0.931 1.00 0.39 H ATOM 250 HB VAL A 14 3.830 2.740 1.365 1.00 1.03 H ATOM 251 HG11 VAL A 14 5.740 3.933 2.269 1.00 1.77 H ATOM 252 HG12 VAL A 14 4.294 4.939 2.350 1.00 1.79 H ATOM 253 HG13 VAL A 14 5.503 5.232 1.102 1.00 1.76 H ATOM 254 HG21 VAL A 14 3.632 4.997 -0.624 1.00 1.76 H ATOM 255 HG22 VAL A 14 2.505 4.688 0.696 1.00 1.72 H ATOM 256 HG23 VAL A 14 2.660 3.526 -0.622 1.00 1.78 H ATOM 257 N GLY A 15 6.308 1.247 1.284 1.00 0.54 N ATOM 258 CA GLY A 15 7.405 0.656 2.017 1.00 0.72 C ATOM 259 C GLY A 15 8.543 0.255 1.103 1.00 0.76 C ATOM 260 O GLY A 15 9.707 0.491 1.414 1.00 0.91 O ATOM 261 H GLY A 15 5.412 0.842 1.332 1.00 0.53 H ATOM 262 HA2 GLY A 15 7.770 1.372 2.741 1.00 0.78 H ATOM 263 HA3 GLY A 15 7.049 -0.219 2.538 1.00 0.85 H ATOM 264 N GLY A 16 8.199 -0.321 -0.041 1.00 0.74 N ATOM 265 CA GLY A 16 9.205 -0.780 -0.980 1.00 0.92 C ATOM 266 C GLY A 16 10.009 0.352 -1.589 1.00 0.95 C ATOM 267 O GLY A 16 11.236 0.273 -1.674 1.00 1.20 O ATOM 268 H GLY A 16 7.248 -0.436 -0.252 1.00 0.67 H ATOM 269 HA2 GLY A 16 9.879 -1.449 -0.466 1.00 1.10 H ATOM 270 HA3 GLY A 16 8.713 -1.323 -1.775 1.00 0.95 H ATOM 271 N MET A 17 9.331 1.416 -1.996 1.00 0.82 N ATOM 272 CA MET A 17 10.007 2.537 -2.644 1.00 0.98 C ATOM 273 C MET A 17 10.632 3.484 -1.622 1.00 1.04 C ATOM 274 O MET A 17 11.248 4.481 -1.990 1.00 1.22 O ATOM 275 CB MET A 17 9.057 3.297 -3.578 1.00 1.03 C ATOM 276 CG MET A 17 7.844 3.905 -2.893 1.00 1.22 C ATOM 277 SD MET A 17 6.774 4.777 -4.055 1.00 1.89 S ATOM 278 CE MET A 17 5.435 5.287 -2.981 1.00 2.61 C ATOM 279 H MET A 17 8.355 1.445 -1.869 1.00 0.72 H ATOM 280 HA MET A 17 10.804 2.121 -3.239 1.00 1.18 H ATOM 281 HB2 MET A 17 9.607 4.096 -4.052 1.00 1.50 H ATOM 282 HB3 MET A 17 8.707 2.617 -4.339 1.00 1.56 H ATOM 283 HG2 MET A 17 7.277 3.114 -2.425 1.00 1.64 H ATOM 284 HG3 MET A 17 8.181 4.600 -2.140 1.00 1.77 H ATOM 285 HE1 MET A 17 5.834 5.847 -2.147 1.00 3.04 H ATOM 286 HE2 MET A 17 4.916 4.414 -2.615 1.00 3.03 H ATOM 287 HE3 MET A 17 4.747 5.908 -3.535 1.00 3.03 H ATOM 288 N LYS A 18 10.471 3.176 -0.344 1.00 1.04 N ATOM 289 CA LYS A 18 11.125 3.943 0.707 1.00 1.24 C ATOM 290 C LYS A 18 12.261 3.155 1.349 1.00 1.56 C ATOM 291 O LYS A 18 13.319 3.711 1.641 1.00 2.01 O ATOM 292 CB LYS A 18 10.115 4.375 1.768 1.00 1.56 C ATOM 293 CG LYS A 18 9.272 5.571 1.354 1.00 2.04 C ATOM 294 CD LYS A 18 10.122 6.829 1.237 1.00 2.67 C ATOM 295 CE LYS A 18 9.277 8.074 1.018 1.00 3.27 C ATOM 296 NZ LYS A 18 8.531 8.038 -0.267 1.00 3.89 N ATOM 297 H LYS A 18 9.882 2.431 -0.099 1.00 1.02 H ATOM 298 HA LYS A 18 11.543 4.826 0.249 1.00 1.33 H ATOM 299 HB2 LYS A 18 9.450 3.549 1.973 1.00 2.01 H ATOM 300 HB3 LYS A 18 10.647 4.632 2.671 1.00 1.88 H ATOM 301 HG2 LYS A 18 8.816 5.366 0.397 1.00 2.29 H ATOM 302 HG3 LYS A 18 8.504 5.730 2.094 1.00 2.48 H ATOM 303 HD2 LYS A 18 10.691 6.950 2.146 1.00 3.05 H ATOM 304 HD3 LYS A 18 10.798 6.714 0.402 1.00 3.02 H ATOM 305 HE2 LYS A 18 8.571 8.162 1.829 1.00 3.60 H ATOM 306 HE3 LYS A 18 9.928 8.936 1.019 1.00 3.59 H ATOM 307 HZ1 LYS A 18 9.167 7.942 -1.035 1.00 4.24 H ATOM 308 HZ2 LYS A 18 8.014 8.883 -0.388 1.00 4.15 H ATOM 309 HZ3 LYS A 18 7.891 7.269 -0.276 1.00 4.19 H ATOM 310 N ALA A 19 12.048 1.862 1.563 1.00 1.66 N ATOM 311 CA ALA A 19 13.053 1.016 2.198 1.00 2.22 C ATOM 312 C ALA A 19 14.258 0.803 1.290 1.00 2.97 C ATOM 313 O ALA A 19 15.378 0.609 1.764 1.00 3.52 O ATOM 314 CB ALA A 19 12.450 -0.322 2.592 1.00 2.40 C ATOM 315 H ALA A 19 11.186 1.465 1.299 1.00 1.57 H ATOM 316 HA ALA A 19 13.381 1.513 3.097 1.00 2.48 H ATOM 317 HB1 ALA A 19 13.185 -0.903 3.127 1.00 2.69 H ATOM 318 HB2 ALA A 19 12.144 -0.854 1.706 1.00 2.74 H ATOM 319 HB3 ALA A 19 11.591 -0.155 3.227 1.00 2.70 H ATOM 320 N VAL A 20 14.024 0.833 -0.013 1.00 3.41 N ATOM 321 CA VAL A 20 15.101 0.694 -0.977 1.00 4.44 C ATOM 322 C VAL A 20 15.598 2.072 -1.400 1.00 5.14 C ATOM 323 O VAL A 20 15.029 2.651 -2.349 1.00 5.65 O ATOM 324 CB VAL A 20 14.654 -0.105 -2.221 1.00 4.95 C ATOM 325 CG1 VAL A 20 15.816 -0.310 -3.182 1.00 5.47 C ATOM 326 CG2 VAL A 20 14.057 -1.443 -1.815 1.00 5.14 C ATOM 327 OXT VAL A 20 16.543 2.583 -0.766 1.00 5.52 O ATOM 328 H VAL A 20 13.106 0.957 -0.334 1.00 3.24 H ATOM 329 HA VAL A 20 15.911 0.161 -0.500 1.00 4.72 H ATOM 330 HB VAL A 20 13.893 0.464 -2.731 1.00 5.28 H ATOM 331 HG11 VAL A 20 15.478 -0.867 -4.043 1.00 5.70 H ATOM 332 HG12 VAL A 20 16.602 -0.859 -2.684 1.00 5.79 H ATOM 333 HG13 VAL A 20 16.194 0.650 -3.500 1.00 5.70 H ATOM 334 HG21 VAL A 20 13.762 -1.990 -2.699 1.00 5.35 H ATOM 335 HG22 VAL A 20 13.191 -1.276 -1.191 1.00 5.36 H ATOM 336 HG23 VAL A 20 14.791 -2.014 -1.266 1.00 5.32 H TER 337 VAL A 20 ENDMDL MODEL 13 ATOM 1 N LYS A 1 -6.852 6.406 0.028 1.00 1.55 N ATOM 2 CA LYS A 1 -7.051 5.019 -0.452 1.00 1.01 C ATOM 3 C LYS A 1 -6.446 4.022 0.531 1.00 0.98 C ATOM 4 O LYS A 1 -5.403 3.425 0.274 1.00 1.92 O ATOM 5 CB LYS A 1 -6.444 4.841 -1.853 1.00 0.98 C ATOM 6 CG LYS A 1 -5.001 5.318 -1.975 1.00 0.89 C ATOM 7 CD LYS A 1 -4.439 5.076 -3.368 1.00 1.56 C ATOM 8 CE LYS A 1 -4.325 3.592 -3.685 1.00 2.04 C ATOM 9 NZ LYS A 1 -3.713 3.360 -5.020 1.00 2.60 N ATOM 10 H1 LYS A 1 -7.297 6.528 0.915 1.00 2.00 H ATOM 11 H2 LYS A 1 -7.242 7.057 -0.618 1.00 1.96 H ATOM 12 H3 LYS A 1 -5.877 6.597 0.129 1.00 1.89 H ATOM 13 HA LYS A 1 -8.114 4.837 -0.506 1.00 1.36 H ATOM 14 HB2 LYS A 1 -6.473 3.794 -2.112 1.00 1.48 H ATOM 15 HB3 LYS A 1 -7.042 5.392 -2.563 1.00 1.44 H ATOM 16 HG2 LYS A 1 -4.966 6.377 -1.766 1.00 1.25 H ATOM 17 HG3 LYS A 1 -4.393 4.789 -1.254 1.00 1.20 H ATOM 18 HD2 LYS A 1 -5.093 5.537 -4.093 1.00 2.12 H ATOM 19 HD3 LYS A 1 -3.458 5.524 -3.431 1.00 2.15 H ATOM 20 HE2 LYS A 1 -3.713 3.121 -2.931 1.00 2.47 H ATOM 21 HE3 LYS A 1 -5.313 3.156 -3.671 1.00 2.49 H ATOM 22 HZ1 LYS A 1 -3.604 2.378 -5.180 1.00 2.97 H ATOM 23 HZ2 LYS A 1 -2.814 3.794 -5.068 1.00 2.96 H ATOM 24 HZ3 LYS A 1 -4.294 3.743 -5.739 1.00 2.93 H ATOM 25 N ILE A 2 -7.109 3.850 1.663 1.00 0.89 N ATOM 26 CA ILE A 2 -6.627 2.951 2.699 1.00 1.07 C ATOM 27 C ILE A 2 -7.459 1.670 2.724 1.00 0.72 C ATOM 28 O ILE A 2 -6.920 0.560 2.572 1.00 0.78 O ATOM 29 CB ILE A 2 -6.660 3.632 4.086 1.00 1.69 C ATOM 30 CG1 ILE A 2 -5.787 4.892 4.074 1.00 2.06 C ATOM 31 CG2 ILE A 2 -6.193 2.670 5.169 1.00 2.45 C ATOM 32 CD1 ILE A 2 -5.803 5.660 5.379 1.00 2.60 C ATOM 33 H ILE A 2 -7.954 4.331 1.803 1.00 1.50 H ATOM 34 HA ILE A 2 -5.602 2.698 2.468 1.00 1.35 H ATOM 35 HB ILE A 2 -7.680 3.911 4.301 1.00 1.67 H ATOM 36 HG12 ILE A 2 -4.765 4.610 3.872 1.00 2.57 H ATOM 37 HG13 ILE A 2 -6.133 5.553 3.295 1.00 2.22 H ATOM 38 HG21 ILE A 2 -6.846 1.811 5.194 1.00 2.90 H ATOM 39 HG22 ILE A 2 -6.218 3.168 6.127 1.00 2.80 H ATOM 40 HG23 ILE A 2 -5.184 2.351 4.957 1.00 2.81 H ATOM 41 HD11 ILE A 2 -5.191 6.544 5.283 1.00 3.02 H ATOM 42 HD12 ILE A 2 -5.414 5.035 6.168 1.00 2.98 H ATOM 43 HD13 ILE A 2 -6.817 5.948 5.613 1.00 2.95 H ATOM 44 N LYS A 3 -8.776 1.837 2.880 1.00 0.49 N ATOM 45 CA LYS A 3 -9.711 0.712 2.903 1.00 0.34 C ATOM 46 C LYS A 3 -9.453 -0.213 1.726 1.00 0.24 C ATOM 47 O LYS A 3 -8.837 0.205 0.732 1.00 0.31 O ATOM 48 CB LYS A 3 -11.153 1.215 2.854 1.00 0.53 C ATOM 49 CG LYS A 3 -11.543 2.065 4.050 1.00 1.27 C ATOM 50 CD LYS A 3 -12.947 2.620 3.896 1.00 1.81 C ATOM 51 CE LYS A 3 -13.357 3.440 5.106 1.00 2.59 C ATOM 52 NZ LYS A 3 -14.706 4.036 4.937 1.00 3.26 N ATOM 53 H LYS A 3 -9.129 2.746 2.968 1.00 0.60 H ATOM 54 HA LYS A 3 -9.556 0.165 3.819 1.00 0.43 H ATOM 55 HB2 LYS A 3 -11.284 1.806 1.960 1.00 1.18 H ATOM 56 HB3 LYS A 3 -11.817 0.364 2.812 1.00 0.99 H ATOM 57 HG2 LYS A 3 -11.502 1.458 4.943 1.00 1.75 H ATOM 58 HG3 LYS A 3 -10.847 2.887 4.139 1.00 1.91 H ATOM 59 HD2 LYS A 3 -12.980 3.250 3.019 1.00 2.21 H ATOM 60 HD3 LYS A 3 -13.637 1.797 3.777 1.00 2.20 H ATOM 61 HE2 LYS A 3 -13.363 2.798 5.974 1.00 3.04 H ATOM 62 HE3 LYS A 3 -12.638 4.231 5.249 1.00 2.97 H ATOM 63 HZ1 LYS A 3 -14.965 4.540 5.760 1.00 3.57 H ATOM 64 HZ2 LYS A 3 -15.382 3.319 4.773 1.00 3.65 H ATOM 65 HZ3 LYS A 3 -14.710 4.664 4.158 1.00 3.61 H ATOM 66 N ILE A 4 -9.896 -1.470 1.838 1.00 0.22 N ATOM 67 CA ILE A 4 -9.593 -2.455 0.813 1.00 0.21 C ATOM 68 C ILE A 4 -8.082 -2.717 0.838 1.00 0.14 C ATOM 69 O ILE A 4 -7.326 -1.992 1.503 1.00 0.13 O ATOM 70 CB ILE A 4 -10.064 -1.903 -0.573 1.00 0.30 C ATOM 71 CG1 ILE A 4 -11.589 -1.975 -0.676 1.00 0.60 C ATOM 72 CG2 ILE A 4 -9.413 -2.606 -1.757 1.00 0.25 C ATOM 73 CD1 ILE A 4 -12.156 -1.244 -1.873 1.00 0.77 C ATOM 74 H ILE A 4 -10.425 -1.730 2.619 1.00 0.28 H ATOM 75 HA ILE A 4 -10.128 -3.368 1.036 1.00 0.30 H ATOM 76 HB ILE A 4 -9.774 -0.866 -0.619 1.00 0.46 H ATOM 77 HG12 ILE A 4 -11.886 -3.009 -0.754 1.00 0.68 H ATOM 78 HG13 ILE A 4 -12.023 -1.545 0.215 1.00 0.74 H ATOM 79 HG21 ILE A 4 -9.623 -2.055 -2.660 1.00 1.06 H ATOM 80 HG22 ILE A 4 -9.809 -3.604 -1.845 1.00 1.06 H ATOM 81 HG23 ILE A 4 -8.340 -2.650 -1.603 1.00 1.05 H ATOM 82 HD11 ILE A 4 -11.748 -1.665 -2.779 1.00 1.29 H ATOM 83 HD12 ILE A 4 -11.895 -0.198 -1.812 1.00 1.31 H ATOM 84 HD13 ILE A 4 -13.231 -1.347 -1.879 1.00 1.30 H ATOM 85 N PRO A 5 -7.584 -3.780 0.211 1.00 0.18 N ATOM 86 CA PRO A 5 -6.174 -3.836 -0.111 1.00 0.19 C ATOM 87 C PRO A 5 -5.753 -2.696 -1.055 1.00 0.17 C ATOM 88 O PRO A 5 -5.104 -2.933 -2.066 1.00 0.32 O ATOM 89 CB PRO A 5 -5.996 -5.207 -0.768 1.00 0.31 C ATOM 90 CG PRO A 5 -7.152 -6.011 -0.284 1.00 0.46 C ATOM 91 CD PRO A 5 -8.282 -5.036 -0.117 1.00 0.29 C ATOM 92 HA PRO A 5 -5.582 -3.784 0.784 1.00 0.21 H ATOM 93 HB2 PRO A 5 -6.007 -5.099 -1.839 1.00 0.40 H ATOM 94 HB3 PRO A 5 -5.059 -5.640 -0.455 1.00 0.37 H ATOM 95 HG2 PRO A 5 -7.410 -6.765 -1.014 1.00 0.68 H ATOM 96 HG3 PRO A 5 -6.910 -6.469 0.662 1.00 0.67 H ATOM 97 HD2 PRO A 5 -8.835 -4.944 -1.036 1.00 0.31 H ATOM 98 HD3 PRO A 5 -8.932 -5.340 0.691 1.00 0.40 H ATOM 99 N TRP A 6 -6.131 -1.454 -0.719 1.00 0.14 N ATOM 100 CA TRP A 6 -5.603 -0.290 -1.402 1.00 0.22 C ATOM 101 C TRP A 6 -4.556 0.278 -0.499 1.00 0.24 C ATOM 102 O TRP A 6 -3.441 0.561 -0.911 1.00 0.35 O ATOM 103 CB TRP A 6 -6.666 0.777 -1.678 1.00 0.27 C ATOM 104 CG TRP A 6 -7.572 0.467 -2.827 1.00 0.31 C ATOM 105 CD1 TRP A 6 -8.932 0.429 -2.798 1.00 0.35 C ATOM 106 CD2 TRP A 6 -7.188 0.169 -4.175 1.00 0.38 C ATOM 107 NE1 TRP A 6 -9.421 0.111 -4.039 1.00 0.41 N ATOM 108 CE2 TRP A 6 -8.372 -0.053 -4.901 1.00 0.44 C ATOM 109 CE3 TRP A 6 -5.962 0.062 -4.838 1.00 0.43 C ATOM 110 CZ2 TRP A 6 -8.368 -0.373 -6.253 1.00 0.53 C ATOM 111 CZ3 TRP A 6 -5.958 -0.255 -6.184 1.00 0.53 C ATOM 112 CH2 TRP A 6 -7.155 -0.469 -6.879 1.00 0.57 C ATOM 113 H TRP A 6 -6.750 -1.313 0.054 1.00 0.20 H ATOM 114 HA TRP A 6 -5.146 -0.610 -2.329 1.00 0.27 H ATOM 115 HB2 TRP A 6 -7.281 0.893 -0.799 1.00 0.25 H ATOM 116 HB3 TRP A 6 -6.172 1.714 -1.889 1.00 0.34 H ATOM 117 HD1 TRP A 6 -9.526 0.615 -1.916 1.00 0.35 H ATOM 118 HE1 TRP A 6 -10.370 0.014 -4.270 1.00 0.46 H ATOM 119 HE3 TRP A 6 -5.029 0.225 -4.319 1.00 0.41 H ATOM 120 HZ2 TRP A 6 -9.283 -0.542 -6.801 1.00 0.59 H ATOM 121 HZ3 TRP A 6 -5.022 -0.340 -6.714 1.00 0.58 H ATOM 122 HH2 TRP A 6 -7.107 -0.715 -7.928 1.00 0.66 H ATOM 123 N GLY A 7 -4.942 0.411 0.759 1.00 0.20 N ATOM 124 CA GLY A 7 -3.994 0.751 1.788 1.00 0.27 C ATOM 125 C GLY A 7 -2.985 -0.354 1.985 1.00 0.23 C ATOM 126 O GLY A 7 -1.807 -0.084 2.203 1.00 0.31 O ATOM 127 H GLY A 7 -5.902 0.293 0.988 1.00 0.19 H ATOM 128 HA2 GLY A 7 -3.478 1.658 1.507 1.00 0.34 H ATOM 129 HA3 GLY A 7 -4.522 0.914 2.714 1.00 0.31 H ATOM 130 N LYS A 8 -3.441 -1.608 1.894 1.00 0.15 N ATOM 131 CA LYS A 8 -2.529 -2.749 2.027 1.00 0.18 C ATOM 132 C LYS A 8 -1.504 -2.749 0.896 1.00 0.16 C ATOM 133 O LYS A 8 -0.303 -2.872 1.134 1.00 0.22 O ATOM 134 CB LYS A 8 -3.268 -4.096 2.027 1.00 0.23 C ATOM 135 CG LYS A 8 -4.069 -4.404 3.289 1.00 1.19 C ATOM 136 CD LYS A 8 -5.231 -3.447 3.501 1.00 1.71 C ATOM 137 CE LYS A 8 -5.973 -3.741 4.797 1.00 2.35 C ATOM 138 NZ LYS A 8 -5.128 -3.493 5.997 1.00 2.94 N ATOM 139 H LYS A 8 -4.408 -1.764 1.742 1.00 0.14 H ATOM 140 HA LYS A 8 -2.005 -2.639 2.965 1.00 0.24 H ATOM 141 HB2 LYS A 8 -3.936 -4.121 1.189 1.00 0.89 H ATOM 142 HB3 LYS A 8 -2.536 -4.881 1.901 1.00 0.94 H ATOM 143 HG2 LYS A 8 -4.465 -5.405 3.205 1.00 1.93 H ATOM 144 HG3 LYS A 8 -3.409 -4.348 4.142 1.00 1.83 H ATOM 145 HD2 LYS A 8 -4.850 -2.438 3.537 1.00 2.15 H ATOM 146 HD3 LYS A 8 -5.919 -3.544 2.675 1.00 2.21 H ATOM 147 HE2 LYS A 8 -6.845 -3.107 4.847 1.00 2.75 H ATOM 148 HE3 LYS A 8 -6.282 -4.775 4.790 1.00 2.81 H ATOM 149 HZ1 LYS A 8 -4.794 -2.550 5.994 1.00 3.31 H ATOM 150 HZ2 LYS A 8 -4.344 -4.114 6.006 1.00 3.26 H ATOM 151 HZ3 LYS A 8 -5.664 -3.644 6.831 1.00 3.29 H ATOM 152 N VAL A 9 -1.988 -2.612 -0.335 1.00 0.13 N ATOM 153 CA VAL A 9 -1.112 -2.604 -1.498 1.00 0.16 C ATOM 154 C VAL A 9 -0.248 -1.350 -1.510 1.00 0.15 C ATOM 155 O VAL A 9 0.957 -1.426 -1.755 1.00 0.18 O ATOM 156 CB VAL A 9 -1.914 -2.720 -2.815 1.00 0.19 C ATOM 157 CG1 VAL A 9 -1.041 -2.409 -4.022 1.00 0.26 C ATOM 158 CG2 VAL A 9 -2.508 -4.116 -2.945 1.00 0.22 C ATOM 159 H VAL A 9 -2.953 -2.509 -0.463 1.00 0.13 H ATOM 160 HA VAL A 9 -0.464 -3.466 -1.423 1.00 0.20 H ATOM 161 HB VAL A 9 -2.725 -2.007 -2.788 1.00 0.19 H ATOM 162 HG11 VAL A 9 -1.625 -2.505 -4.925 1.00 1.05 H ATOM 163 HG12 VAL A 9 -0.214 -3.100 -4.054 1.00 1.04 H ATOM 164 HG13 VAL A 9 -0.664 -1.400 -3.943 1.00 1.05 H ATOM 165 HG21 VAL A 9 -3.053 -4.190 -3.873 1.00 1.03 H ATOM 166 HG22 VAL A 9 -3.179 -4.300 -2.117 1.00 1.06 H ATOM 167 HG23 VAL A 9 -1.712 -4.847 -2.934 1.00 1.04 H ATOM 168 N LYS A 10 -0.858 -0.203 -1.228 1.00 0.19 N ATOM 169 CA LYS A 10 -0.114 1.052 -1.153 1.00 0.26 C ATOM 170 C LYS A 10 1.003 0.966 -0.115 1.00 0.19 C ATOM 171 O LYS A 10 2.135 1.365 -0.381 1.00 0.18 O ATOM 172 CB LYS A 10 -1.035 2.224 -0.808 1.00 0.40 C ATOM 173 CG LYS A 10 -0.303 3.550 -0.731 1.00 0.53 C ATOM 174 CD LYS A 10 -1.184 4.657 -0.188 1.00 1.08 C ATOM 175 CE LYS A 10 -0.393 5.943 -0.031 1.00 1.79 C ATOM 176 NZ LYS A 10 -1.197 7.021 0.599 1.00 2.56 N ATOM 177 H LYS A 10 -1.841 -0.198 -1.085 1.00 0.20 H ATOM 178 HA LYS A 10 0.329 1.229 -2.121 1.00 0.32 H ATOM 179 HB2 LYS A 10 -1.802 2.301 -1.565 1.00 0.48 H ATOM 180 HB3 LYS A 10 -1.499 2.035 0.149 1.00 0.43 H ATOM 181 HG2 LYS A 10 0.553 3.438 -0.082 1.00 1.00 H ATOM 182 HG3 LYS A 10 0.030 3.822 -1.721 1.00 1.00 H ATOM 183 HD2 LYS A 10 -2.005 4.826 -0.872 1.00 1.54 H ATOM 184 HD3 LYS A 10 -1.568 4.359 0.777 1.00 1.45 H ATOM 185 HE2 LYS A 10 0.473 5.741 0.583 1.00 2.13 H ATOM 186 HE3 LYS A 10 -0.068 6.270 -1.008 1.00 2.18 H ATOM 187 HZ1 LYS A 10 -0.644 7.848 0.698 1.00 2.94 H ATOM 188 HZ2 LYS A 10 -1.511 6.736 1.503 1.00 2.91 H ATOM 189 HZ3 LYS A 10 -1.994 7.230 0.031 1.00 2.98 H ATOM 190 N ASP A 11 0.678 0.441 1.062 1.00 0.21 N ATOM 191 CA ASP A 11 1.652 0.307 2.144 1.00 0.26 C ATOM 192 C ASP A 11 2.818 -0.569 1.709 1.00 0.19 C ATOM 193 O ASP A 11 3.976 -0.283 2.016 1.00 0.25 O ATOM 194 CB ASP A 11 0.991 -0.288 3.389 1.00 0.40 C ATOM 195 CG ASP A 11 1.944 -0.412 4.558 1.00 0.79 C ATOM 196 OD1 ASP A 11 2.532 -1.499 4.737 1.00 1.29 O ATOM 197 OD2 ASP A 11 2.128 0.575 5.293 1.00 0.82 O ATOM 198 H ASP A 11 -0.244 0.134 1.212 1.00 0.24 H ATOM 199 HA ASP A 11 2.025 1.293 2.379 1.00 0.33 H ATOM 200 HB2 ASP A 11 0.168 0.345 3.686 1.00 0.52 H ATOM 201 HB3 ASP A 11 0.613 -1.272 3.150 1.00 0.62 H ATOM 202 N PHE A 12 2.499 -1.632 0.984 1.00 0.17 N ATOM 203 CA PHE A 12 3.511 -2.524 0.443 1.00 0.23 C ATOM 204 C PHE A 12 4.414 -1.776 -0.537 1.00 0.20 C ATOM 205 O PHE A 12 5.640 -1.899 -0.489 1.00 0.31 O ATOM 206 CB PHE A 12 2.834 -3.711 -0.253 1.00 0.30 C ATOM 207 CG PHE A 12 3.790 -4.656 -0.926 1.00 0.44 C ATOM 208 CD1 PHE A 12 4.530 -5.562 -0.182 1.00 0.60 C ATOM 209 CD2 PHE A 12 3.945 -4.638 -2.301 1.00 0.49 C ATOM 210 CE1 PHE A 12 5.409 -6.431 -0.799 1.00 0.74 C ATOM 211 CE2 PHE A 12 4.822 -5.503 -2.924 1.00 0.64 C ATOM 212 CZ PHE A 12 5.556 -6.405 -2.169 1.00 0.75 C ATOM 213 H PHE A 12 1.552 -1.823 0.810 1.00 0.19 H ATOM 214 HA PHE A 12 4.109 -2.890 1.263 1.00 0.30 H ATOM 215 HB2 PHE A 12 2.275 -4.273 0.478 1.00 0.36 H ATOM 216 HB3 PHE A 12 2.154 -3.334 -1.004 1.00 0.27 H ATOM 217 HD1 PHE A 12 4.416 -5.584 0.891 1.00 0.66 H ATOM 218 HD2 PHE A 12 3.373 -3.937 -2.890 1.00 0.49 H ATOM 219 HE1 PHE A 12 5.982 -7.131 -0.209 1.00 0.89 H ATOM 220 HE2 PHE A 12 4.934 -5.479 -3.997 1.00 0.72 H ATOM 221 HZ PHE A 12 6.243 -7.085 -2.650 1.00 0.88 H ATOM 222 N LEU A 13 3.797 -0.990 -1.410 1.00 0.14 N ATOM 223 CA LEU A 13 4.526 -0.241 -2.421 1.00 0.21 C ATOM 224 C LEU A 13 5.382 0.853 -1.789 1.00 0.23 C ATOM 225 O LEU A 13 6.607 0.829 -1.904 1.00 0.33 O ATOM 226 CB LEU A 13 3.554 0.376 -3.429 1.00 0.28 C ATOM 227 CG LEU A 13 2.709 -0.625 -4.221 1.00 0.36 C ATOM 228 CD1 LEU A 13 1.717 0.108 -5.106 1.00 0.47 C ATOM 229 CD2 LEU A 13 3.598 -1.533 -5.058 1.00 0.46 C ATOM 230 H LEU A 13 2.816 -0.913 -1.372 1.00 0.15 H ATOM 231 HA LEU A 13 5.175 -0.930 -2.939 1.00 0.29 H ATOM 232 HB2 LEU A 13 2.885 1.034 -2.893 1.00 0.28 H ATOM 233 HB3 LEU A 13 4.123 0.965 -4.130 1.00 0.35 H ATOM 234 HG LEU A 13 2.151 -1.241 -3.531 1.00 0.32 H ATOM 235 HD11 LEU A 13 1.078 0.728 -4.495 1.00 1.14 H ATOM 236 HD12 LEU A 13 1.116 -0.610 -5.644 1.00 1.14 H ATOM 237 HD13 LEU A 13 2.253 0.729 -5.809 1.00 1.12 H ATOM 238 HD21 LEU A 13 4.246 -2.102 -4.409 1.00 1.13 H ATOM 239 HD22 LEU A 13 4.196 -0.934 -5.728 1.00 1.12 H ATOM 240 HD23 LEU A 13 2.981 -2.208 -5.633 1.00 1.13 H ATOM 241 N VAL A 14 4.731 1.794 -1.109 1.00 0.25 N ATOM 242 CA VAL A 14 5.413 2.938 -0.514 1.00 0.37 C ATOM 243 C VAL A 14 6.463 2.486 0.493 1.00 0.45 C ATOM 244 O VAL A 14 7.569 3.029 0.540 1.00 0.52 O ATOM 245 CB VAL A 14 4.413 3.887 0.180 1.00 0.53 C ATOM 246 CG1 VAL A 14 5.129 5.084 0.777 1.00 1.22 C ATOM 247 CG2 VAL A 14 3.344 4.342 -0.798 1.00 1.19 C ATOM 248 H VAL A 14 3.757 1.717 -0.998 1.00 0.26 H ATOM 249 HA VAL A 14 5.902 3.483 -1.308 1.00 0.39 H ATOM 250 HB VAL A 14 3.932 3.346 0.982 1.00 1.03 H ATOM 251 HG11 VAL A 14 5.626 5.632 -0.009 1.00 1.77 H ATOM 252 HG12 VAL A 14 5.858 4.743 1.497 1.00 1.79 H ATOM 253 HG13 VAL A 14 4.411 5.725 1.265 1.00 1.76 H ATOM 254 HG21 VAL A 14 3.810 4.848 -1.631 1.00 1.76 H ATOM 255 HG22 VAL A 14 2.667 5.020 -0.299 1.00 1.72 H ATOM 256 HG23 VAL A 14 2.796 3.484 -1.159 1.00 1.78 H ATOM 257 N GLY A 15 6.114 1.483 1.288 1.00 0.54 N ATOM 258 CA GLY A 15 7.059 0.917 2.231 1.00 0.72 C ATOM 259 C GLY A 15 8.328 0.445 1.551 1.00 0.76 C ATOM 260 O GLY A 15 9.429 0.682 2.046 1.00 0.91 O ATOM 261 H GLY A 15 5.196 1.130 1.242 1.00 0.53 H ATOM 262 HA2 GLY A 15 7.311 1.664 2.967 1.00 0.78 H ATOM 263 HA3 GLY A 15 6.596 0.076 2.728 1.00 0.85 H ATOM 264 N GLY A 16 8.173 -0.196 0.400 1.00 0.74 N ATOM 265 CA GLY A 16 9.316 -0.688 -0.343 1.00 0.92 C ATOM 266 C GLY A 16 10.088 0.424 -1.023 1.00 0.95 C ATOM 267 O GLY A 16 11.254 0.255 -1.368 1.00 1.20 O ATOM 268 H GLY A 16 7.267 -0.339 0.051 1.00 0.67 H ATOM 269 HA2 GLY A 16 9.977 -1.207 0.337 1.00 1.10 H ATOM 270 HA3 GLY A 16 8.971 -1.384 -1.092 1.00 0.95 H ATOM 271 N MET A 17 9.431 1.560 -1.227 1.00 0.82 N ATOM 272 CA MET A 17 10.083 2.728 -1.813 1.00 0.98 C ATOM 273 C MET A 17 11.013 3.355 -0.793 1.00 1.04 C ATOM 274 O MET A 17 12.076 3.877 -1.131 1.00 1.22 O ATOM 275 CB MET A 17 9.051 3.765 -2.255 1.00 1.03 C ATOM 276 CG MET A 17 8.004 3.219 -3.202 1.00 1.22 C ATOM 277 SD MET A 17 6.721 4.426 -3.581 1.00 1.89 S ATOM 278 CE MET A 17 5.622 3.447 -4.600 1.00 2.61 C ATOM 279 H MET A 17 8.484 1.616 -0.976 1.00 0.72 H ATOM 280 HA MET A 17 10.658 2.405 -2.668 1.00 1.18 H ATOM 281 HB2 MET A 17 8.549 4.149 -1.379 1.00 1.50 H ATOM 282 HB3 MET A 17 9.565 4.578 -2.748 1.00 1.56 H ATOM 283 HG2 MET A 17 8.487 2.925 -4.122 1.00 1.64 H ATOM 284 HG3 MET A 17 7.546 2.356 -2.745 1.00 1.77 H ATOM 285 HE1 MET A 17 6.152 3.108 -5.478 1.00 3.04 H ATOM 286 HE2 MET A 17 4.776 4.047 -4.901 1.00 3.03 H ATOM 287 HE3 MET A 17 5.275 2.593 -4.037 1.00 3.03 H ATOM 288 N LYS A 18 10.590 3.309 0.460 1.00 1.04 N ATOM 289 CA LYS A 18 11.392 3.830 1.555 1.00 1.24 C ATOM 290 C LYS A 18 12.456 2.818 1.954 1.00 1.56 C ATOM 291 O LYS A 18 13.623 3.163 2.135 1.00 2.01 O ATOM 292 CB LYS A 18 10.511 4.174 2.759 1.00 1.56 C ATOM 293 CG LYS A 18 9.354 5.102 2.415 1.00 2.04 C ATOM 294 CD LYS A 18 8.673 5.687 3.650 1.00 2.67 C ATOM 295 CE LYS A 18 8.058 4.622 4.549 1.00 3.27 C ATOM 296 NZ LYS A 18 9.056 4.009 5.468 1.00 3.89 N ATOM 297 H LYS A 18 9.708 2.919 0.648 1.00 1.02 H ATOM 298 HA LYS A 18 11.879 4.728 1.209 1.00 1.33 H ATOM 299 HB2 LYS A 18 10.105 3.260 3.165 1.00 2.01 H ATOM 300 HB3 LYS A 18 11.120 4.654 3.508 1.00 1.88 H ATOM 301 HG2 LYS A 18 9.731 5.913 1.814 1.00 2.29 H ATOM 302 HG3 LYS A 18 8.624 4.545 1.845 1.00 2.48 H ATOM 303 HD2 LYS A 18 9.403 6.239 4.219 1.00 3.05 H ATOM 304 HD3 LYS A 18 7.892 6.359 3.324 1.00 3.02 H ATOM 305 HE2 LYS A 18 7.274 5.075 5.138 1.00 3.60 H ATOM 306 HE3 LYS A 18 7.634 3.846 3.927 1.00 3.59 H ATOM 307 HZ1 LYS A 18 8.596 3.407 6.123 1.00 4.24 H ATOM 308 HZ2 LYS A 18 9.544 4.720 5.976 1.00 4.15 H ATOM 309 HZ3 LYS A 18 9.720 3.471 4.950 1.00 4.19 H ATOM 310 N ALA A 19 12.048 1.563 2.075 1.00 1.66 N ATOM 311 CA ALA A 19 12.963 0.490 2.426 1.00 2.22 C ATOM 312 C ALA A 19 13.499 -0.181 1.169 1.00 2.97 C ATOM 313 O ALA A 19 13.195 -1.341 0.887 1.00 3.52 O ATOM 314 CB ALA A 19 12.270 -0.524 3.325 1.00 2.40 C ATOM 315 H ALA A 19 11.104 1.350 1.915 1.00 1.57 H ATOM 316 HA ALA A 19 13.788 0.922 2.973 1.00 2.48 H ATOM 317 HB1 ALA A 19 11.927 -0.035 4.223 1.00 2.69 H ATOM 318 HB2 ALA A 19 12.967 -1.308 3.584 1.00 2.74 H ATOM 319 HB3 ALA A 19 11.427 -0.951 2.802 1.00 2.70 H ATOM 320 N VAL A 20 14.282 0.568 0.410 1.00 3.41 N ATOM 321 CA VAL A 20 14.885 0.059 -0.814 1.00 4.44 C ATOM 322 C VAL A 20 16.130 -0.774 -0.509 1.00 5.14 C ATOM 323 O VAL A 20 17.236 -0.202 -0.418 1.00 5.65 O ATOM 324 CB VAL A 20 15.232 1.203 -1.800 1.00 4.95 C ATOM 325 CG1 VAL A 20 13.987 1.663 -2.539 1.00 5.47 C ATOM 326 CG2 VAL A 20 15.865 2.381 -1.072 1.00 5.14 C ATOM 327 OXT VAL A 20 15.996 -2.007 -0.349 1.00 5.52 O ATOM 328 H VAL A 20 14.461 1.491 0.682 1.00 3.24 H ATOM 329 HA VAL A 20 14.156 -0.581 -1.291 1.00 4.72 H ATOM 330 HB VAL A 20 15.940 0.828 -2.526 1.00 5.28 H ATOM 331 HG11 VAL A 20 13.272 2.051 -1.829 1.00 5.70 H ATOM 332 HG12 VAL A 20 13.553 0.829 -3.067 1.00 5.79 H ATOM 333 HG13 VAL A 20 14.250 2.437 -3.244 1.00 5.70 H ATOM 334 HG21 VAL A 20 15.148 2.809 -0.389 1.00 5.35 H ATOM 335 HG22 VAL A 20 16.169 3.128 -1.790 1.00 5.36 H ATOM 336 HG23 VAL A 20 16.728 2.041 -0.519 1.00 5.32 H TER 337 VAL A 20 ENDMDL MODEL 14 ATOM 1 N LYS A 1 -6.055 6.527 0.601 1.00 1.55 N ATOM 2 CA LYS A 1 -6.643 5.245 0.164 1.00 1.01 C ATOM 3 C LYS A 1 -6.182 4.103 1.065 1.00 0.98 C ATOM 4 O LYS A 1 -5.163 3.465 0.812 1.00 1.92 O ATOM 5 CB LYS A 1 -6.278 4.969 -1.303 1.00 0.98 C ATOM 6 CG LYS A 1 -4.792 5.100 -1.615 1.00 0.89 C ATOM 7 CD LYS A 1 -4.517 4.961 -3.104 1.00 1.56 C ATOM 8 CE LYS A 1 -4.950 3.605 -3.639 1.00 2.04 C ATOM 9 NZ LYS A 1 -4.743 3.501 -5.105 1.00 2.60 N ATOM 10 H1 LYS A 1 -5.057 6.480 0.556 1.00 2.00 H ATOM 11 H2 LYS A 1 -6.321 6.726 1.540 1.00 1.96 H ATOM 12 H3 LYS A 1 -6.373 7.268 0.014 1.00 1.89 H ATOM 13 HA LYS A 1 -7.716 5.329 0.245 1.00 1.36 H ATOM 14 HB2 LYS A 1 -6.586 3.965 -1.550 1.00 1.48 H ATOM 15 HB3 LYS A 1 -6.817 5.664 -1.930 1.00 1.44 H ATOM 16 HG2 LYS A 1 -4.449 6.069 -1.287 1.00 1.25 H ATOM 17 HG3 LYS A 1 -4.250 4.328 -1.086 1.00 1.20 H ATOM 18 HD2 LYS A 1 -5.058 5.732 -3.630 1.00 2.12 H ATOM 19 HD3 LYS A 1 -3.457 5.083 -3.276 1.00 2.15 H ATOM 20 HE2 LYS A 1 -4.375 2.836 -3.147 1.00 2.47 H ATOM 21 HE3 LYS A 1 -5.999 3.465 -3.423 1.00 2.49 H ATOM 22 HZ1 LYS A 1 -5.257 4.216 -5.578 1.00 2.97 H ATOM 23 HZ2 LYS A 1 -5.058 2.612 -5.437 1.00 2.96 H ATOM 24 HZ3 LYS A 1 -3.771 3.599 -5.324 1.00 2.93 H ATOM 25 N ILE A 2 -6.931 3.867 2.135 1.00 0.89 N ATOM 26 CA ILE A 2 -6.614 2.800 3.073 1.00 1.07 C ATOM 27 C ILE A 2 -7.526 1.595 2.834 1.00 0.72 C ATOM 28 O ILE A 2 -7.045 0.472 2.605 1.00 0.78 O ATOM 29 CB ILE A 2 -6.738 3.258 4.551 1.00 1.69 C ATOM 30 CG1 ILE A 2 -5.640 4.267 4.921 1.00 2.06 C ATOM 31 CG2 ILE A 2 -6.678 2.064 5.493 1.00 2.45 C ATOM 32 CD1 ILE A 2 -5.860 5.659 4.371 1.00 2.60 C ATOM 33 H ILE A 2 -7.725 4.420 2.294 1.00 1.50 H ATOM 34 HA ILE A 2 -5.592 2.506 2.895 1.00 1.35 H ATOM 35 HB ILE A 2 -7.701 3.729 4.676 1.00 1.67 H ATOM 36 HG12 ILE A 2 -5.584 4.346 5.996 1.00 2.57 H ATOM 37 HG13 ILE A 2 -4.693 3.908 4.544 1.00 2.22 H ATOM 38 HG21 ILE A 2 -6.772 2.404 6.512 1.00 2.90 H ATOM 39 HG22 ILE A 2 -5.734 1.554 5.368 1.00 2.80 H ATOM 40 HG23 ILE A 2 -7.486 1.384 5.263 1.00 2.81 H ATOM 41 HD11 ILE A 2 -5.043 6.299 4.670 1.00 3.02 H ATOM 42 HD12 ILE A 2 -6.788 6.056 4.757 1.00 2.98 H ATOM 43 HD13 ILE A 2 -5.908 5.617 3.293 1.00 2.95 H ATOM 44 N LYS A 3 -8.842 1.856 2.852 1.00 0.49 N ATOM 45 CA LYS A 3 -9.865 0.816 2.695 1.00 0.34 C ATOM 46 C LYS A 3 -9.503 -0.125 1.559 1.00 0.24 C ATOM 47 O LYS A 3 -8.815 0.285 0.608 1.00 0.31 O ATOM 48 CB LYS A 3 -11.229 1.450 2.409 1.00 0.53 C ATOM 49 CG LYS A 3 -11.709 2.409 3.485 1.00 1.27 C ATOM 50 CD LYS A 3 -12.958 3.147 3.035 1.00 1.81 C ATOM 51 CE LYS A 3 -13.358 4.231 4.022 1.00 2.59 C ATOM 52 NZ LYS A 3 -14.485 5.061 3.513 1.00 3.26 N ATOM 53 H LYS A 3 -9.132 2.784 2.958 1.00 0.60 H ATOM 54 HA LYS A 3 -9.920 0.254 3.615 1.00 0.43 H ATOM 55 HB2 LYS A 3 -11.169 1.994 1.478 1.00 1.18 H ATOM 56 HB3 LYS A 3 -11.963 0.663 2.306 1.00 0.99 H ATOM 57 HG2 LYS A 3 -11.935 1.850 4.381 1.00 1.75 H ATOM 58 HG3 LYS A 3 -10.931 3.128 3.691 1.00 1.91 H ATOM 59 HD2 LYS A 3 -12.767 3.600 2.076 1.00 2.21 H ATOM 60 HD3 LYS A 3 -13.768 2.438 2.944 1.00 2.20 H ATOM 61 HE2 LYS A 3 -13.657 3.762 4.946 1.00 3.04 H ATOM 62 HE3 LYS A 3 -12.505 4.868 4.203 1.00 2.97 H ATOM 63 HZ1 LYS A 3 -15.290 4.489 3.351 1.00 3.57 H ATOM 64 HZ2 LYS A 3 -14.228 5.504 2.653 1.00 3.65 H ATOM 65 HZ3 LYS A 3 -14.719 5.769 4.179 1.00 3.61 H ATOM 66 N ILE A 4 -9.944 -1.382 1.662 1.00 0.22 N ATOM 67 CA ILE A 4 -9.600 -2.383 0.664 1.00 0.21 C ATOM 68 C ILE A 4 -8.092 -2.666 0.743 1.00 0.14 C ATOM 69 O ILE A 4 -7.349 -1.945 1.427 1.00 0.13 O ATOM 70 CB ILE A 4 -10.018 -1.854 -0.747 1.00 0.30 C ATOM 71 CG1 ILE A 4 -11.543 -1.874 -0.878 1.00 0.60 C ATOM 72 CG2 ILE A 4 -9.371 -2.615 -1.898 1.00 0.25 C ATOM 73 CD1 ILE A 4 -12.053 -1.280 -2.173 1.00 0.77 C ATOM 74 H ILE A 4 -10.510 -1.633 2.419 1.00 0.28 H ATOM 75 HA ILE A 4 -10.151 -3.288 0.879 1.00 0.30 H ATOM 76 HB ILE A 4 -9.689 -0.829 -0.817 1.00 0.46 H ATOM 77 HG12 ILE A 4 -11.888 -2.896 -0.826 1.00 0.68 H ATOM 78 HG13 ILE A 4 -11.975 -1.312 -0.062 1.00 0.74 H ATOM 79 HG21 ILE A 4 -9.802 -3.601 -1.964 1.00 1.06 H ATOM 80 HG22 ILE A 4 -8.304 -2.696 -1.718 1.00 1.06 H ATOM 81 HG23 ILE A 4 -9.538 -2.083 -2.822 1.00 1.05 H ATOM 82 HD11 ILE A 4 -13.131 -1.332 -2.193 1.00 1.29 H ATOM 83 HD12 ILE A 4 -11.650 -1.837 -3.007 1.00 1.31 H ATOM 84 HD13 ILE A 4 -11.741 -0.249 -2.244 1.00 1.30 H ATOM 85 N PRO A 5 -7.598 -3.752 0.148 1.00 0.18 N ATOM 86 CA PRO A 5 -6.183 -3.846 -0.173 1.00 0.19 C ATOM 87 C PRO A 5 -5.698 -2.683 -1.064 1.00 0.17 C ATOM 88 O PRO A 5 -5.032 -2.904 -2.069 1.00 0.32 O ATOM 89 CB PRO A 5 -6.069 -5.183 -0.906 1.00 0.31 C ATOM 90 CG PRO A 5 -7.205 -5.991 -0.386 1.00 0.46 C ATOM 91 CD PRO A 5 -8.319 -5.013 -0.135 1.00 0.29 C ATOM 92 HA PRO A 5 -5.587 -3.875 0.724 1.00 0.21 H ATOM 93 HB2 PRO A 5 -6.151 -5.021 -1.971 1.00 0.40 H ATOM 94 HB3 PRO A 5 -5.120 -5.642 -0.675 1.00 0.37 H ATOM 95 HG2 PRO A 5 -7.505 -6.722 -1.122 1.00 0.68 H ATOM 96 HG3 PRO A 5 -6.920 -6.479 0.535 1.00 0.67 H ATOM 97 HD2 PRO A 5 -8.936 -4.918 -1.012 1.00 0.31 H ATOM 98 HD3 PRO A 5 -8.910 -5.319 0.715 1.00 0.40 H ATOM 99 N TRP A 6 -6.041 -1.443 -0.697 1.00 0.14 N ATOM 100 CA TRP A 6 -5.452 -0.279 -1.317 1.00 0.22 C ATOM 101 C TRP A 6 -4.468 0.269 -0.331 1.00 0.24 C ATOM 102 O TRP A 6 -3.311 0.489 -0.647 1.00 0.35 O ATOM 103 CB TRP A 6 -6.484 0.796 -1.661 1.00 0.27 C ATOM 104 CG TRP A 6 -7.362 0.461 -2.824 1.00 0.31 C ATOM 105 CD1 TRP A 6 -8.720 0.507 -2.847 1.00 0.35 C ATOM 106 CD2 TRP A 6 -6.952 0.038 -4.132 1.00 0.38 C ATOM 107 NE1 TRP A 6 -9.187 0.143 -4.085 1.00 0.41 N ATOM 108 CE2 TRP A 6 -8.122 -0.151 -4.893 1.00 0.44 C ATOM 109 CE3 TRP A 6 -5.714 -0.199 -4.736 1.00 0.43 C ATOM 110 CZ2 TRP A 6 -8.091 -0.564 -6.220 1.00 0.53 C ATOM 111 CZ3 TRP A 6 -5.685 -0.610 -6.055 1.00 0.53 C ATOM 112 CH2 TRP A 6 -6.867 -0.788 -6.785 1.00 0.57 C ATOM 113 H TRP A 6 -6.690 -1.308 0.053 1.00 0.20 H ATOM 114 HA TRP A 6 -4.930 -0.592 -2.209 1.00 0.27 H ATOM 115 HB2 TRP A 6 -7.120 0.957 -0.804 1.00 0.25 H ATOM 116 HB3 TRP A 6 -5.964 1.715 -1.891 1.00 0.34 H ATOM 117 HD1 TRP A 6 -9.329 0.791 -2.003 1.00 0.35 H ATOM 118 HE1 TRP A 6 -10.133 0.103 -4.348 1.00 0.46 H ATOM 119 HE3 TRP A 6 -4.792 -0.067 -4.190 1.00 0.41 H ATOM 120 HZ2 TRP A 6 -8.994 -0.706 -6.797 1.00 0.59 H ATOM 121 HZ3 TRP A 6 -4.737 -0.799 -6.537 1.00 0.58 H ATOM 122 HH2 TRP A 6 -6.796 -1.110 -7.813 1.00 0.66 H ATOM 123 N GLY A 7 -4.946 0.441 0.891 1.00 0.20 N ATOM 124 CA GLY A 7 -4.069 0.784 1.983 1.00 0.27 C ATOM 125 C GLY A 7 -3.082 -0.320 2.254 1.00 0.23 C ATOM 126 O GLY A 7 -1.967 -0.065 2.697 1.00 0.31 O ATOM 127 H GLY A 7 -5.923 0.345 1.051 1.00 0.19 H ATOM 128 HA2 GLY A 7 -3.533 1.689 1.739 1.00 0.34 H ATOM 129 HA3 GLY A 7 -4.658 0.948 2.870 1.00 0.31 H ATOM 130 N LYS A 8 -3.499 -1.559 1.991 1.00 0.15 N ATOM 131 CA LYS A 8 -2.615 -2.706 2.169 1.00 0.18 C ATOM 132 C LYS A 8 -1.555 -2.748 1.068 1.00 0.16 C ATOM 133 O LYS A 8 -0.356 -2.780 1.348 1.00 0.22 O ATOM 134 CB LYS A 8 -3.415 -4.011 2.170 1.00 0.23 C ATOM 135 CG LYS A 8 -4.543 -4.043 3.192 1.00 1.19 C ATOM 136 CD LYS A 8 -4.014 -3.961 4.616 1.00 1.71 C ATOM 137 CE LYS A 8 -5.134 -4.077 5.640 1.00 2.35 C ATOM 138 NZ LYS A 8 -5.894 -5.346 5.496 1.00 2.94 N ATOM 139 H LYS A 8 -4.431 -1.702 1.683 1.00 0.14 H ATOM 140 HA LYS A 8 -2.119 -2.598 3.122 1.00 0.24 H ATOM 141 HB2 LYS A 8 -3.838 -4.161 1.190 1.00 0.89 H ATOM 142 HB3 LYS A 8 -2.742 -4.827 2.388 1.00 0.94 H ATOM 143 HG2 LYS A 8 -5.199 -3.204 3.015 1.00 1.93 H ATOM 144 HG3 LYS A 8 -5.096 -4.964 3.076 1.00 1.83 H ATOM 145 HD2 LYS A 8 -3.311 -4.764 4.776 1.00 2.15 H ATOM 146 HD3 LYS A 8 -3.516 -3.013 4.749 1.00 2.21 H ATOM 147 HE2 LYS A 8 -4.703 -4.039 6.630 1.00 2.75 H ATOM 148 HE3 LYS A 8 -5.811 -3.246 5.511 1.00 2.81 H ATOM 149 HZ1 LYS A 8 -5.268 -6.125 5.509 1.00 3.31 H ATOM 150 HZ2 LYS A 8 -6.397 -5.352 4.631 1.00 3.26 H ATOM 151 HZ3 LYS A 8 -6.548 -5.443 6.246 1.00 3.29 H ATOM 152 N VAL A 9 -2.000 -2.734 -0.185 1.00 0.13 N ATOM 153 CA VAL A 9 -1.083 -2.823 -1.316 1.00 0.16 C ATOM 154 C VAL A 9 -0.218 -1.570 -1.427 1.00 0.15 C ATOM 155 O VAL A 9 0.988 -1.667 -1.648 1.00 0.18 O ATOM 156 CB VAL A 9 -1.831 -3.075 -2.646 1.00 0.19 C ATOM 157 CG1 VAL A 9 -0.885 -2.978 -3.836 1.00 0.26 C ATOM 158 CG2 VAL A 9 -2.501 -4.441 -2.620 1.00 0.22 C ATOM 159 H VAL A 9 -2.961 -2.664 -0.353 1.00 0.13 H ATOM 160 HA VAL A 9 -0.433 -3.667 -1.137 1.00 0.20 H ATOM 161 HB VAL A 9 -2.598 -2.323 -2.756 1.00 0.19 H ATOM 162 HG11 VAL A 9 -0.109 -3.721 -3.740 1.00 1.05 H ATOM 163 HG12 VAL A 9 -0.441 -1.994 -3.863 1.00 1.04 H ATOM 164 HG13 VAL A 9 -1.436 -3.149 -4.750 1.00 1.05 H ATOM 165 HG21 VAL A 9 -3.212 -4.478 -1.807 1.00 1.03 H ATOM 166 HG22 VAL A 9 -1.752 -5.207 -2.479 1.00 1.06 H ATOM 167 HG23 VAL A 9 -3.015 -4.608 -3.554 1.00 1.04 H ATOM 168 N LYS A 10 -0.820 -0.396 -1.251 1.00 0.19 N ATOM 169 CA LYS A 10 -0.055 0.852 -1.299 1.00 0.26 C ATOM 170 C LYS A 10 1.007 0.877 -0.203 1.00 0.19 C ATOM 171 O LYS A 10 2.109 1.387 -0.408 1.00 0.18 O ATOM 172 CB LYS A 10 -0.962 2.075 -1.159 1.00 0.40 C ATOM 173 CG LYS A 10 -0.205 3.389 -1.216 1.00 0.53 C ATOM 174 CD LYS A 10 -1.095 4.569 -0.869 1.00 1.08 C ATOM 175 CE LYS A 10 -0.288 5.853 -0.788 1.00 1.79 C ATOM 176 NZ LYS A 10 0.284 6.235 -2.105 1.00 2.56 N ATOM 177 H LYS A 10 -1.799 -0.367 -1.100 1.00 0.20 H ATOM 178 HA LYS A 10 0.440 0.893 -2.258 1.00 0.32 H ATOM 179 HB2 LYS A 10 -1.690 2.065 -1.957 1.00 0.48 H ATOM 180 HB3 LYS A 10 -1.478 2.022 -0.210 1.00 0.43 H ATOM 181 HG2 LYS A 10 0.613 3.352 -0.514 1.00 1.00 H ATOM 182 HG3 LYS A 10 0.181 3.525 -2.216 1.00 1.00 H ATOM 183 HD2 LYS A 10 -1.855 4.675 -1.629 1.00 1.54 H ATOM 184 HD3 LYS A 10 -1.562 4.386 0.088 1.00 1.45 H ATOM 185 HE2 LYS A 10 -0.929 6.647 -0.438 1.00 2.13 H ATOM 186 HE3 LYS A 10 0.521 5.705 -0.085 1.00 2.18 H ATOM 187 HZ1 LYS A 10 0.794 7.090 -2.022 1.00 2.94 H ATOM 188 HZ2 LYS A 10 -0.446 6.363 -2.774 1.00 2.91 H ATOM 189 HZ3 LYS A 10 0.902 5.520 -2.434 1.00 2.98 H ATOM 190 N ASP A 11 0.676 0.314 0.956 1.00 0.21 N ATOM 191 CA ASP A 11 1.619 0.239 2.071 1.00 0.26 C ATOM 192 C ASP A 11 2.815 -0.621 1.689 1.00 0.19 C ATOM 193 O ASP A 11 3.937 -0.380 2.127 1.00 0.25 O ATOM 194 CB ASP A 11 0.934 -0.336 3.312 1.00 0.40 C ATOM 195 CG ASP A 11 1.844 -0.382 4.523 1.00 0.79 C ATOM 196 OD1 ASP A 11 2.234 -1.495 4.939 1.00 1.29 O ATOM 197 OD2 ASP A 11 2.167 0.692 5.071 1.00 0.82 O ATOM 198 H ASP A 11 -0.222 -0.061 1.064 1.00 0.24 H ATOM 199 HA ASP A 11 1.961 1.241 2.286 1.00 0.33 H ATOM 200 HB2 ASP A 11 0.077 0.273 3.554 1.00 0.52 H ATOM 201 HB3 ASP A 11 0.602 -1.342 3.095 1.00 0.62 H ATOM 202 N PHE A 12 2.561 -1.620 0.860 1.00 0.17 N ATOM 203 CA PHE A 12 3.614 -2.481 0.342 1.00 0.23 C ATOM 204 C PHE A 12 4.437 -1.733 -0.710 1.00 0.20 C ATOM 205 O PHE A 12 5.639 -1.953 -0.849 1.00 0.31 O ATOM 206 CB PHE A 12 2.995 -3.752 -0.252 1.00 0.30 C ATOM 207 CG PHE A 12 3.997 -4.746 -0.771 1.00 0.44 C ATOM 208 CD1 PHE A 12 4.745 -5.516 0.105 1.00 0.60 C ATOM 209 CD2 PHE A 12 4.194 -4.905 -2.132 1.00 0.49 C ATOM 210 CE1 PHE A 12 5.670 -6.427 -0.368 1.00 0.74 C ATOM 211 CE2 PHE A 12 5.116 -5.815 -2.612 1.00 0.64 C ATOM 212 CZ PHE A 12 5.840 -6.591 -1.730 1.00 0.75 C ATOM 213 H PHE A 12 1.633 -1.788 0.590 1.00 0.19 H ATOM 214 HA PHE A 12 4.259 -2.752 1.165 1.00 0.30 H ATOM 215 HB2 PHE A 12 2.409 -4.243 0.509 1.00 0.36 H ATOM 216 HB3 PHE A 12 2.346 -3.475 -1.070 1.00 0.27 H ATOM 217 HD1 PHE A 12 4.599 -5.402 1.169 1.00 0.66 H ATOM 218 HD2 PHE A 12 3.617 -4.308 -2.823 1.00 0.49 H ATOM 219 HE1 PHE A 12 6.247 -7.020 0.325 1.00 0.89 H ATOM 220 HE2 PHE A 12 5.260 -5.930 -3.676 1.00 0.72 H ATOM 221 HZ PHE A 12 6.557 -7.309 -2.102 1.00 0.88 H ATOM 222 N LEU A 13 3.780 -0.838 -1.438 1.00 0.14 N ATOM 223 CA LEU A 13 4.442 -0.048 -2.472 1.00 0.21 C ATOM 224 C LEU A 13 5.326 1.031 -1.850 1.00 0.23 C ATOM 225 O LEU A 13 6.543 1.039 -2.050 1.00 0.33 O ATOM 226 CB LEU A 13 3.407 0.598 -3.399 1.00 0.28 C ATOM 227 CG LEU A 13 2.480 -0.381 -4.124 1.00 0.36 C ATOM 228 CD1 LEU A 13 1.490 0.372 -4.999 1.00 0.47 C ATOM 229 CD2 LEU A 13 3.286 -1.366 -4.955 1.00 0.46 C ATOM 230 H LEU A 13 2.820 -0.707 -1.279 1.00 0.15 H ATOM 231 HA LEU A 13 5.064 -0.715 -3.050 1.00 0.29 H ATOM 232 HB2 LEU A 13 2.798 1.269 -2.811 1.00 0.28 H ATOM 233 HB3 LEU A 13 3.933 1.176 -4.144 1.00 0.35 H ATOM 234 HG LEU A 13 1.917 -0.942 -3.392 1.00 0.32 H ATOM 235 HD11 LEU A 13 0.907 1.045 -4.388 1.00 1.14 H ATOM 236 HD12 LEU A 13 0.831 -0.333 -5.485 1.00 1.14 H ATOM 237 HD13 LEU A 13 2.027 0.936 -5.745 1.00 1.12 H ATOM 238 HD21 LEU A 13 2.615 -2.029 -5.478 1.00 1.13 H ATOM 239 HD22 LEU A 13 3.928 -1.944 -4.306 1.00 1.12 H ATOM 240 HD23 LEU A 13 3.890 -0.827 -5.669 1.00 1.13 H ATOM 241 N VAL A 14 4.713 1.931 -1.090 1.00 0.25 N ATOM 242 CA VAL A 14 5.442 3.016 -0.451 1.00 0.37 C ATOM 243 C VAL A 14 6.406 2.462 0.590 1.00 0.45 C ATOM 244 O VAL A 14 7.534 2.933 0.735 1.00 0.52 O ATOM 245 CB VAL A 14 4.479 4.035 0.195 1.00 0.53 C ATOM 246 CG1 VAL A 14 3.813 3.473 1.434 1.00 1.22 C ATOM 247 CG2 VAL A 14 5.200 5.333 0.502 1.00 1.19 C ATOM 248 H VAL A 14 3.741 1.866 -0.953 1.00 0.26 H ATOM 249 HA VAL A 14 6.007 3.524 -1.208 1.00 0.39 H ATOM 250 HB VAL A 14 3.703 4.241 -0.518 1.00 1.03 H ATOM 251 HG11 VAL A 14 3.232 2.606 1.163 1.00 1.77 H ATOM 252 HG12 VAL A 14 3.169 4.221 1.869 1.00 1.79 H ATOM 253 HG13 VAL A 14 4.571 3.189 2.146 1.00 1.76 H ATOM 254 HG21 VAL A 14 6.021 5.138 1.175 1.00 1.76 H ATOM 255 HG22 VAL A 14 4.513 6.026 0.962 1.00 1.72 H ATOM 256 HG23 VAL A 14 5.579 5.756 -0.416 1.00 1.78 H ATOM 257 N GLY A 15 5.950 1.443 1.293 1.00 0.54 N ATOM 258 CA GLY A 15 6.773 0.781 2.283 1.00 0.72 C ATOM 259 C GLY A 15 7.998 0.128 1.679 1.00 0.76 C ATOM 260 O GLY A 15 9.111 0.326 2.164 1.00 0.91 O ATOM 261 H GLY A 15 5.019 1.155 1.152 1.00 0.53 H ATOM 262 HA2 GLY A 15 7.091 1.506 3.016 1.00 0.78 H ATOM 263 HA3 GLY A 15 6.182 0.023 2.774 1.00 0.85 H ATOM 264 N GLY A 16 7.796 -0.618 0.600 1.00 0.74 N ATOM 265 CA GLY A 16 8.882 -1.358 -0.015 1.00 0.92 C ATOM 266 C GLY A 16 9.974 -0.467 -0.581 1.00 0.95 C ATOM 267 O GLY A 16 11.122 -0.891 -0.707 1.00 1.20 O ATOM 268 H GLY A 16 6.895 -0.671 0.215 1.00 0.67 H ATOM 269 HA2 GLY A 16 9.320 -2.010 0.725 1.00 1.10 H ATOM 270 HA3 GLY A 16 8.480 -1.962 -0.815 1.00 0.95 H ATOM 271 N MET A 17 9.627 0.769 -0.917 1.00 0.82 N ATOM 272 CA MET A 17 10.595 1.682 -1.513 1.00 0.98 C ATOM 273 C MET A 17 11.337 2.488 -0.447 1.00 1.04 C ATOM 274 O MET A 17 12.399 3.049 -0.716 1.00 1.22 O ATOM 275 CB MET A 17 9.914 2.627 -2.512 1.00 1.03 C ATOM 276 CG MET A 17 8.994 3.651 -1.866 1.00 1.22 C ATOM 277 SD MET A 17 8.152 4.701 -3.069 1.00 1.89 S ATOM 278 CE MET A 17 9.545 5.474 -3.887 1.00 2.61 C ATOM 279 H MET A 17 8.706 1.069 -0.765 1.00 0.72 H ATOM 280 HA MET A 17 11.317 1.082 -2.045 1.00 1.18 H ATOM 281 HB2 MET A 17 10.678 3.158 -3.060 1.00 1.50 H ATOM 282 HB3 MET A 17 9.333 2.038 -3.205 1.00 1.56 H ATOM 283 HG2 MET A 17 8.250 3.129 -1.285 1.00 1.64 H ATOM 284 HG3 MET A 17 9.581 4.279 -1.212 1.00 1.77 H ATOM 285 HE1 MET A 17 10.142 4.716 -4.372 1.00 3.04 H ATOM 286 HE2 MET A 17 10.147 5.995 -3.157 1.00 3.03 H ATOM 287 HE3 MET A 17 9.186 6.176 -4.624 1.00 3.03 H ATOM 288 N LYS A 18 10.785 2.548 0.763 1.00 1.04 N ATOM 289 CA LYS A 18 11.418 3.315 1.832 1.00 1.24 C ATOM 290 C LYS A 18 12.118 2.399 2.832 1.00 1.56 C ATOM 291 O LYS A 18 13.067 2.813 3.499 1.00 2.01 O ATOM 292 CB LYS A 18 10.403 4.222 2.545 1.00 1.56 C ATOM 293 CG LYS A 18 9.260 3.489 3.235 1.00 2.04 C ATOM 294 CD LYS A 18 8.313 4.473 3.907 1.00 2.67 C ATOM 295 CE LYS A 18 7.088 3.784 4.494 1.00 3.27 C ATOM 296 NZ LYS A 18 7.440 2.819 5.568 1.00 3.89 N ATOM 297 H LYS A 18 9.946 2.072 0.938 1.00 1.02 H ATOM 298 HA LYS A 18 12.168 3.941 1.371 1.00 1.33 H ATOM 299 HB2 LYS A 18 10.924 4.801 3.290 1.00 2.01 H ATOM 300 HB3 LYS A 18 9.978 4.897 1.817 1.00 1.88 H ATOM 301 HG2 LYS A 18 8.712 2.919 2.500 1.00 2.29 H ATOM 302 HG3 LYS A 18 9.668 2.824 3.982 1.00 2.48 H ATOM 303 HD2 LYS A 18 8.841 4.976 4.703 1.00 3.05 H ATOM 304 HD3 LYS A 18 7.989 5.198 3.177 1.00 3.02 H ATOM 305 HE2 LYS A 18 6.433 4.538 4.906 1.00 3.60 H ATOM 306 HE3 LYS A 18 6.574 3.261 3.703 1.00 3.59 H ATOM 307 HZ1 LYS A 18 7.908 3.289 6.316 1.00 4.24 H ATOM 308 HZ2 LYS A 18 8.044 2.105 5.214 1.00 4.15 H ATOM 309 HZ3 LYS A 18 6.610 2.387 5.928 1.00 4.19 H ATOM 310 N ALA A 19 11.668 1.156 2.922 1.00 1.66 N ATOM 311 CA ALA A 19 12.263 0.193 3.841 1.00 2.22 C ATOM 312 C ALA A 19 13.475 -0.489 3.211 1.00 2.97 C ATOM 313 O ALA A 19 13.528 -1.717 3.097 1.00 3.52 O ATOM 314 CB ALA A 19 11.234 -0.840 4.271 1.00 2.40 C ATOM 315 H ALA A 19 10.910 0.876 2.363 1.00 1.57 H ATOM 316 HA ALA A 19 12.584 0.732 4.722 1.00 2.48 H ATOM 317 HB1 ALA A 19 11.672 -1.502 5.004 1.00 2.69 H ATOM 318 HB2 ALA A 19 10.921 -1.413 3.411 1.00 2.74 H ATOM 319 HB3 ALA A 19 10.380 -0.341 4.701 1.00 2.70 H ATOM 320 N VAL A 20 14.444 0.313 2.804 1.00 3.41 N ATOM 321 CA VAL A 20 15.651 -0.202 2.180 1.00 4.44 C ATOM 322 C VAL A 20 16.837 -0.019 3.118 1.00 5.14 C ATOM 323 O VAL A 20 17.142 -0.964 3.878 1.00 5.65 O ATOM 324 CB VAL A 20 15.937 0.499 0.833 1.00 4.95 C ATOM 325 CG1 VAL A 20 17.144 -0.121 0.146 1.00 5.47 C ATOM 326 CG2 VAL A 20 14.718 0.440 -0.076 1.00 5.14 C ATOM 327 OXT VAL A 20 17.433 1.078 3.123 1.00 5.52 O ATOM 328 H VAL A 20 14.350 1.282 2.936 1.00 3.24 H ATOM 329 HA VAL A 20 15.507 -1.257 1.994 1.00 4.72 H ATOM 330 HB VAL A 20 16.159 1.537 1.032 1.00 5.28 H ATOM 331 HG11 VAL A 20 16.954 -1.167 -0.039 1.00 5.70 H ATOM 332 HG12 VAL A 20 18.012 -0.020 0.782 1.00 5.79 H ATOM 333 HG13 VAL A 20 17.323 0.384 -0.791 1.00 5.70 H ATOM 334 HG21 VAL A 20 14.484 -0.589 -0.297 1.00 5.35 H ATOM 335 HG22 VAL A 20 14.927 0.967 -0.994 1.00 5.36 H ATOM 336 HG23 VAL A 20 13.877 0.901 0.420 1.00 5.32 H TER 337 VAL A 20 ENDMDL MODEL 15 ATOM 1 N LYS A 1 -6.233 6.530 -0.033 1.00 1.55 N ATOM 2 CA LYS A 1 -6.717 5.135 -0.099 1.00 1.01 C ATOM 3 C LYS A 1 -6.252 4.339 1.117 1.00 0.98 C ATOM 4 O LYS A 1 -5.061 4.310 1.440 1.00 1.92 O ATOM 5 CB LYS A 1 -6.236 4.451 -1.386 1.00 0.98 C ATOM 6 CG LYS A 1 -4.727 4.493 -1.593 1.00 0.89 C ATOM 7 CD LYS A 1 -4.296 3.696 -2.817 1.00 1.56 C ATOM 8 CE LYS A 1 -4.956 4.202 -4.092 1.00 2.04 C ATOM 9 NZ LYS A 1 -4.622 5.625 -4.380 1.00 2.60 N ATOM 10 H1 LYS A 1 -6.533 7.037 -0.841 1.00 2.00 H ATOM 11 H2 LYS A 1 -5.238 6.549 0.006 1.00 1.96 H ATOM 12 H3 LYS A 1 -6.594 6.980 0.785 1.00 1.89 H ATOM 13 HA LYS A 1 -7.797 5.159 -0.099 1.00 1.36 H ATOM 14 HB2 LYS A 1 -6.544 3.418 -1.363 1.00 1.48 H ATOM 15 HB3 LYS A 1 -6.706 4.935 -2.229 1.00 1.44 H ATOM 16 HG2 LYS A 1 -4.418 5.517 -1.720 1.00 1.25 H ATOM 17 HG3 LYS A 1 -4.244 4.079 -0.718 1.00 1.20 H ATOM 18 HD2 LYS A 1 -3.225 3.777 -2.925 1.00 2.12 H ATOM 19 HD3 LYS A 1 -4.564 2.659 -2.671 1.00 2.15 H ATOM 20 HE2 LYS A 1 -4.623 3.594 -4.918 1.00 2.47 H ATOM 21 HE3 LYS A 1 -6.026 4.107 -3.988 1.00 2.49 H ATOM 22 HZ1 LYS A 1 -3.630 5.743 -4.438 1.00 2.97 H ATOM 23 HZ2 LYS A 1 -4.975 6.218 -3.657 1.00 2.96 H ATOM 24 HZ3 LYS A 1 -5.033 5.903 -5.249 1.00 2.93 H ATOM 25 N ILE A 2 -7.203 3.711 1.791 1.00 0.89 N ATOM 26 CA ILE A 2 -6.916 2.848 2.926 1.00 1.07 C ATOM 27 C ILE A 2 -7.672 1.536 2.762 1.00 0.72 C ATOM 28 O ILE A 2 -7.068 0.483 2.494 1.00 0.78 O ATOM 29 CB ILE A 2 -7.312 3.508 4.271 1.00 1.69 C ATOM 30 CG1 ILE A 2 -6.463 4.756 4.539 1.00 2.06 C ATOM 31 CG2 ILE A 2 -7.172 2.517 5.422 1.00 2.45 C ATOM 32 CD1 ILE A 2 -4.984 4.471 4.703 1.00 2.60 C ATOM 33 H ILE A 2 -8.137 3.822 1.508 1.00 1.50 H ATOM 34 HA ILE A 2 -5.855 2.647 2.937 1.00 1.35 H ATOM 35 HB ILE A 2 -8.350 3.797 4.208 1.00 1.67 H ATOM 36 HG12 ILE A 2 -6.577 5.442 3.713 1.00 2.57 H ATOM 37 HG13 ILE A 2 -6.810 5.230 5.445 1.00 2.22 H ATOM 38 HG21 ILE A 2 -6.152 2.167 5.473 1.00 2.90 H ATOM 39 HG22 ILE A 2 -7.834 1.680 5.257 1.00 2.80 H ATOM 40 HG23 ILE A 2 -7.432 3.005 6.350 1.00 2.81 H ATOM 41 HD11 ILE A 2 -4.841 3.755 5.497 1.00 3.02 H ATOM 42 HD12 ILE A 2 -4.467 5.386 4.947 1.00 2.98 H ATOM 43 HD13 ILE A 2 -4.589 4.071 3.781 1.00 2.95 H ATOM 44 N LYS A 3 -9.005 1.632 2.866 1.00 0.49 N ATOM 45 CA LYS A 3 -9.897 0.476 2.776 1.00 0.34 C ATOM 46 C LYS A 3 -9.513 -0.425 1.616 1.00 0.24 C ATOM 47 O LYS A 3 -8.916 0.042 0.631 1.00 0.31 O ATOM 48 CB LYS A 3 -11.345 0.938 2.606 1.00 0.53 C ATOM 49 CG LYS A 3 -11.903 1.667 3.817 1.00 1.27 C ATOM 50 CD LYS A 3 -12.110 0.732 5.001 1.00 1.81 C ATOM 51 CE LYS A 3 -13.224 -0.276 4.745 1.00 2.59 C ATOM 52 NZ LYS A 3 -14.547 0.381 4.559 1.00 3.26 N ATOM 53 H LYS A 3 -9.400 2.520 2.997 1.00 0.60 H ATOM 54 HA LYS A 3 -9.813 -0.082 3.694 1.00 0.43 H ATOM 55 HB2 LYS A 3 -11.399 1.604 1.756 1.00 1.18 H ATOM 56 HB3 LYS A 3 -11.965 0.075 2.414 1.00 0.99 H ATOM 57 HG2 LYS A 3 -11.212 2.445 4.105 1.00 1.75 H ATOM 58 HG3 LYS A 3 -12.850 2.108 3.551 1.00 1.91 H ATOM 59 HD2 LYS A 3 -11.193 0.195 5.187 1.00 2.21 H ATOM 60 HD3 LYS A 3 -12.363 1.319 5.869 1.00 2.20 H ATOM 61 HE2 LYS A 3 -12.986 -0.839 3.855 1.00 3.04 H ATOM 62 HE3 LYS A 3 -13.282 -0.948 5.588 1.00 2.97 H ATOM 63 HZ1 LYS A 3 -14.522 0.993 3.768 1.00 3.57 H ATOM 64 HZ2 LYS A 3 -14.787 0.912 5.372 1.00 3.65 H ATOM 65 HZ3 LYS A 3 -15.255 -0.313 4.410 1.00 3.61 H ATOM 66 N ILE A 4 -9.834 -1.717 1.741 1.00 0.22 N ATOM 67 CA ILE A 4 -9.432 -2.690 0.741 1.00 0.21 C ATOM 68 C ILE A 4 -7.905 -2.812 0.763 1.00 0.14 C ATOM 69 O ILE A 4 -7.220 -2.005 1.401 1.00 0.13 O ATOM 70 CB ILE A 4 -9.951 -2.228 -0.656 1.00 0.30 C ATOM 71 CG1 ILE A 4 -11.474 -2.367 -0.713 1.00 0.60 C ATOM 72 CG2 ILE A 4 -9.296 -2.974 -1.811 1.00 0.25 C ATOM 73 CD1 ILE A 4 -12.089 -1.812 -1.978 1.00 0.77 C ATOM 74 H ILE A 4 -10.347 -2.013 2.520 1.00 0.28 H ATOM 75 HA ILE A 4 -9.875 -3.642 0.985 1.00 0.30 H ATOM 76 HB ILE A 4 -9.701 -1.183 -0.764 1.00 0.46 H ATOM 77 HG12 ILE A 4 -11.737 -3.412 -0.650 1.00 0.68 H ATOM 78 HG13 ILE A 4 -11.907 -1.841 0.125 1.00 0.74 H ATOM 79 HG21 ILE A 4 -9.653 -3.989 -1.834 1.00 1.06 H ATOM 80 HG22 ILE A 4 -8.218 -2.971 -1.673 1.00 1.06 H ATOM 81 HG23 ILE A 4 -9.537 -2.481 -2.742 1.00 1.05 H ATOM 82 HD11 ILE A 4 -11.687 -2.336 -2.833 1.00 1.29 H ATOM 83 HD12 ILE A 4 -11.857 -0.760 -2.059 1.00 1.31 H ATOM 84 HD13 ILE A 4 -13.161 -1.943 -1.946 1.00 1.30 H ATOM 85 N PRO A 5 -7.325 -3.853 0.169 1.00 0.18 N ATOM 86 CA PRO A 5 -5.918 -3.807 -0.195 1.00 0.19 C ATOM 87 C PRO A 5 -5.588 -2.638 -1.141 1.00 0.17 C ATOM 88 O PRO A 5 -4.942 -2.832 -2.165 1.00 0.32 O ATOM 89 CB PRO A 5 -5.679 -5.148 -0.889 1.00 0.31 C ATOM 90 CG PRO A 5 -6.723 -6.051 -0.335 1.00 0.46 C ATOM 91 CD PRO A 5 -7.920 -5.184 -0.071 1.00 0.29 C ATOM 92 HA PRO A 5 -5.298 -3.738 0.681 1.00 0.21 H ATOM 93 HB2 PRO A 5 -5.784 -5.025 -1.955 1.00 0.40 H ATOM 94 HB3 PRO A 5 -4.686 -5.503 -0.657 1.00 0.37 H ATOM 95 HG2 PRO A 5 -6.965 -6.816 -1.055 1.00 0.68 H ATOM 96 HG3 PRO A 5 -6.373 -6.496 0.584 1.00 0.67 H ATOM 97 HD2 PRO A 5 -8.570 -5.170 -0.930 1.00 0.31 H ATOM 98 HD3 PRO A 5 -8.453 -5.529 0.802 1.00 0.40 H ATOM 99 N TRP A 6 -6.035 -1.423 -0.802 1.00 0.14 N ATOM 100 CA TRP A 6 -5.588 -0.240 -1.504 1.00 0.22 C ATOM 101 C TRP A 6 -4.657 0.487 -0.583 1.00 0.24 C ATOM 102 O TRP A 6 -3.612 0.974 -0.991 1.00 0.35 O ATOM 103 CB TRP A 6 -6.744 0.671 -1.920 1.00 0.27 C ATOM 104 CG TRP A 6 -7.573 0.118 -3.031 1.00 0.31 C ATOM 105 CD1 TRP A 6 -8.925 -0.020 -3.043 1.00 0.35 C ATOM 106 CD2 TRP A 6 -7.106 -0.375 -4.294 1.00 0.38 C ATOM 107 NE1 TRP A 6 -9.334 -0.573 -4.232 1.00 0.41 N ATOM 108 CE2 TRP A 6 -8.234 -0.801 -5.016 1.00 0.44 C ATOM 109 CE3 TRP A 6 -5.843 -0.500 -4.884 1.00 0.43 C ATOM 110 CZ2 TRP A 6 -8.141 -1.341 -6.294 1.00 0.53 C ATOM 111 CZ3 TRP A 6 -5.753 -1.038 -6.154 1.00 0.53 C ATOM 112 CH2 TRP A 6 -6.895 -1.453 -6.846 1.00 0.57 C ATOM 113 H TRP A 6 -6.660 -1.318 -0.030 1.00 0.20 H ATOM 114 HA TRP A 6 -5.042 -0.557 -2.381 1.00 0.27 H ATOM 115 HB2 TRP A 6 -7.390 0.830 -1.071 1.00 0.25 H ATOM 116 HB3 TRP A 6 -6.344 1.621 -2.242 1.00 0.34 H ATOM 117 HD1 TRP A 6 -9.569 0.264 -2.224 1.00 0.35 H ATOM 118 HE1 TRP A 6 -10.263 -0.776 -4.479 1.00 0.46 H ATOM 119 HE3 TRP A 6 -4.949 -0.183 -4.367 1.00 0.41 H ATOM 120 HZ2 TRP A 6 -9.012 -1.667 -6.839 1.00 0.59 H ATOM 121 HZ3 TRP A 6 -4.787 -1.143 -6.624 1.00 0.58 H ATOM 122 HH2 TRP A 6 -6.778 -1.868 -7.835 1.00 0.66 H ATOM 123 N GLY A 7 -5.049 0.534 0.681 1.00 0.20 N ATOM 124 CA GLY A 7 -4.140 0.965 1.713 1.00 0.27 C ATOM 125 C GLY A 7 -3.099 -0.094 1.997 1.00 0.23 C ATOM 126 O GLY A 7 -1.936 0.219 2.241 1.00 0.31 O ATOM 127 H GLY A 7 -5.987 0.288 0.911 1.00 0.19 H ATOM 128 HA2 GLY A 7 -3.648 1.875 1.397 1.00 0.34 H ATOM 129 HA3 GLY A 7 -4.696 1.158 2.618 1.00 0.31 H ATOM 130 N LYS A 8 -3.516 -1.360 1.940 1.00 0.15 N ATOM 131 CA LYS A 8 -2.600 -2.468 2.200 1.00 0.18 C ATOM 132 C LYS A 8 -1.555 -2.571 1.098 1.00 0.16 C ATOM 133 O LYS A 8 -0.360 -2.671 1.374 1.00 0.22 O ATOM 134 CB LYS A 8 -3.351 -3.795 2.321 1.00 0.23 C ATOM 135 CG LYS A 8 -4.535 -3.741 3.273 1.00 1.19 C ATOM 136 CD LYS A 8 -5.171 -5.112 3.468 1.00 1.71 C ATOM 137 CE LYS A 8 -4.207 -6.102 4.109 1.00 2.35 C ATOM 138 NZ LYS A 8 -3.674 -5.608 5.406 1.00 2.94 N ATOM 139 H LYS A 8 -4.459 -1.549 1.725 1.00 0.14 H ATOM 140 HA LYS A 8 -2.099 -2.264 3.132 1.00 0.24 H ATOM 141 HB2 LYS A 8 -3.704 -4.086 1.348 1.00 0.89 H ATOM 142 HB3 LYS A 8 -2.664 -4.546 2.680 1.00 0.94 H ATOM 143 HG2 LYS A 8 -4.200 -3.372 4.230 1.00 1.93 H ATOM 144 HG3 LYS A 8 -5.275 -3.067 2.865 1.00 1.83 H ATOM 145 HD2 LYS A 8 -6.035 -5.008 4.105 1.00 2.15 H ATOM 146 HD3 LYS A 8 -5.477 -5.494 2.505 1.00 2.21 H ATOM 147 HE2 LYS A 8 -4.728 -7.032 4.279 1.00 2.75 H ATOM 148 HE3 LYS A 8 -3.383 -6.274 3.433 1.00 2.81 H ATOM 149 HZ1 LYS A 8 -3.145 -6.328 5.854 1.00 3.31 H ATOM 150 HZ2 LYS A 8 -4.423 -5.337 6.010 1.00 3.26 H ATOM 151 HZ3 LYS A 8 -3.079 -4.816 5.257 1.00 3.29 H ATOM 152 N VAL A 9 -2.004 -2.546 -0.153 1.00 0.13 N ATOM 153 CA VAL A 9 -1.085 -2.568 -1.281 1.00 0.16 C ATOM 154 C VAL A 9 -0.271 -1.281 -1.321 1.00 0.15 C ATOM 155 O VAL A 9 0.911 -1.304 -1.655 1.00 0.18 O ATOM 156 CB VAL A 9 -1.818 -2.791 -2.625 1.00 0.19 C ATOM 157 CG1 VAL A 9 -0.904 -2.502 -3.809 1.00 0.26 C ATOM 158 CG2 VAL A 9 -2.335 -4.220 -2.705 1.00 0.22 C ATOM 159 H VAL A 9 -2.967 -2.512 -0.319 1.00 0.13 H ATOM 160 HA VAL A 9 -0.407 -3.396 -1.128 1.00 0.20 H ATOM 161 HB VAL A 9 -2.662 -2.120 -2.672 1.00 0.19 H ATOM 162 HG11 VAL A 9 -0.070 -3.188 -3.795 1.00 1.05 H ATOM 163 HG12 VAL A 9 -0.538 -1.488 -3.742 1.00 1.04 H ATOM 164 HG13 VAL A 9 -1.458 -2.625 -4.729 1.00 1.05 H ATOM 165 HG21 VAL A 9 -2.836 -4.368 -3.650 1.00 1.03 H ATOM 166 HG22 VAL A 9 -3.032 -4.396 -1.898 1.00 1.06 H ATOM 167 HG23 VAL A 9 -1.509 -4.908 -2.623 1.00 1.04 H ATOM 168 N LYS A 10 -0.897 -0.166 -0.957 1.00 0.19 N ATOM 169 CA LYS A 10 -0.173 1.104 -0.841 1.00 0.26 C ATOM 170 C LYS A 10 1.025 0.954 0.093 1.00 0.19 C ATOM 171 O LYS A 10 2.147 1.317 -0.263 1.00 0.18 O ATOM 172 CB LYS A 10 -1.085 2.210 -0.315 1.00 0.40 C ATOM 173 CG LYS A 10 -0.409 3.569 -0.223 1.00 0.53 C ATOM 174 CD LYS A 10 -1.284 4.579 0.499 1.00 1.08 C ATOM 175 CE LYS A 10 -1.474 4.205 1.962 1.00 1.79 C ATOM 176 NZ LYS A 10 -2.383 5.150 2.659 1.00 2.56 N ATOM 177 H LYS A 10 -1.871 -0.191 -0.784 1.00 0.20 H ATOM 178 HA LYS A 10 0.182 1.375 -1.824 1.00 0.32 H ATOM 179 HB2 LYS A 10 -1.938 2.301 -0.972 1.00 0.48 H ATOM 180 HB3 LYS A 10 -1.427 1.935 0.670 1.00 0.43 H ATOM 181 HG2 LYS A 10 0.520 3.462 0.317 1.00 1.00 H ATOM 182 HG3 LYS A 10 -0.208 3.929 -1.222 1.00 1.00 H ATOM 183 HD2 LYS A 10 -0.816 5.550 0.445 1.00 1.54 H ATOM 184 HD3 LYS A 10 -2.250 4.614 0.018 1.00 1.45 H ATOM 185 HE2 LYS A 10 -1.893 3.212 2.018 1.00 2.13 H ATOM 186 HE3 LYS A 10 -0.511 4.216 2.451 1.00 2.18 H ATOM 187 HZ1 LYS A 10 -3.298 5.114 2.252 1.00 2.94 H ATOM 188 HZ2 LYS A 10 -2.036 6.084 2.578 1.00 2.91 H ATOM 189 HZ3 LYS A 10 -2.448 4.915 3.628 1.00 2.98 H ATOM 190 N ASP A 11 0.784 0.408 1.283 1.00 0.21 N ATOM 191 CA ASP A 11 1.845 0.184 2.256 1.00 0.26 C ATOM 192 C ASP A 11 2.897 -0.772 1.709 1.00 0.19 C ATOM 193 O ASP A 11 4.074 -0.673 2.044 1.00 0.25 O ATOM 194 CB ASP A 11 1.276 -0.373 3.562 1.00 0.40 C ATOM 195 CG ASP A 11 0.682 0.696 4.458 1.00 0.79 C ATOM 196 OD1 ASP A 11 -0.428 0.485 4.991 1.00 1.29 O ATOM 197 OD2 ASP A 11 1.303 1.769 4.602 1.00 0.82 O ATOM 198 H ASP A 11 -0.135 0.149 1.517 1.00 0.24 H ATOM 199 HA ASP A 11 2.313 1.135 2.457 1.00 0.33 H ATOM 200 HB2 ASP A 11 0.501 -1.087 3.329 1.00 0.52 H ATOM 201 HB3 ASP A 11 2.063 -0.871 4.099 1.00 0.62 H ATOM 202 N PHE A 12 2.465 -1.694 0.865 1.00 0.17 N ATOM 203 CA PHE A 12 3.372 -2.640 0.233 1.00 0.23 C ATOM 204 C PHE A 12 4.231 -1.939 -0.818 1.00 0.20 C ATOM 205 O PHE A 12 5.417 -2.226 -0.958 1.00 0.31 O ATOM 206 CB PHE A 12 2.576 -3.784 -0.403 1.00 0.30 C ATOM 207 CG PHE A 12 3.431 -4.803 -1.099 1.00 0.44 C ATOM 208 CD1 PHE A 12 4.300 -5.604 -0.379 1.00 0.60 C ATOM 209 CD2 PHE A 12 3.362 -4.960 -2.474 1.00 0.49 C ATOM 210 CE1 PHE A 12 5.083 -6.547 -1.016 1.00 0.74 C ATOM 211 CE2 PHE A 12 4.143 -5.900 -3.116 1.00 0.64 C ATOM 212 CZ PHE A 12 5.020 -6.680 -2.389 1.00 0.75 C ATOM 213 H PHE A 12 1.507 -1.742 0.661 1.00 0.19 H ATOM 214 HA PHE A 12 4.018 -3.043 0.998 1.00 0.30 H ATOM 215 HB2 PHE A 12 2.016 -4.293 0.365 1.00 0.36 H ATOM 216 HB3 PHE A 12 1.890 -3.374 -1.129 1.00 0.27 H ATOM 217 HD1 PHE A 12 4.363 -5.490 0.693 1.00 0.66 H ATOM 218 HD2 PHE A 12 2.688 -4.339 -3.044 1.00 0.49 H ATOM 219 HE1 PHE A 12 5.756 -7.165 -0.443 1.00 0.89 H ATOM 220 HE2 PHE A 12 4.080 -6.011 -4.188 1.00 0.72 H ATOM 221 HZ PHE A 12 5.639 -7.407 -2.890 1.00 0.88 H ATOM 222 N LEU A 13 3.627 -1.016 -1.550 1.00 0.14 N ATOM 223 CA LEU A 13 4.331 -0.277 -2.590 1.00 0.21 C ATOM 224 C LEU A 13 5.305 0.724 -1.979 1.00 0.23 C ATOM 225 O LEU A 13 6.510 0.679 -2.240 1.00 0.33 O ATOM 226 CB LEU A 13 3.332 0.457 -3.490 1.00 0.28 C ATOM 227 CG LEU A 13 2.320 -0.433 -4.217 1.00 0.36 C ATOM 228 CD1 LEU A 13 1.372 0.415 -5.047 1.00 0.47 C ATOM 229 CD2 LEU A 13 3.029 -1.452 -5.093 1.00 0.46 C ATOM 230 H LEU A 13 2.674 -0.829 -1.391 1.00 0.15 H ATOM 231 HA LEU A 13 4.886 -0.986 -3.184 1.00 0.29 H ATOM 232 HB2 LEU A 13 2.786 1.161 -2.881 1.00 0.28 H ATOM 233 HB3 LEU A 13 3.889 1.007 -4.230 1.00 0.35 H ATOM 234 HG LEU A 13 1.733 -0.970 -3.484 1.00 0.32 H ATOM 235 HD11 LEU A 13 0.850 1.108 -4.404 1.00 1.14 H ATOM 236 HD12 LEU A 13 0.656 -0.226 -5.542 1.00 1.14 H ATOM 237 HD13 LEU A 13 1.935 0.963 -5.787 1.00 1.12 H ATOM 238 HD21 LEU A 13 3.650 -0.937 -5.810 1.00 1.13 H ATOM 239 HD22 LEU A 13 2.297 -2.050 -5.615 1.00 1.12 H ATOM 240 HD23 LEU A 13 3.645 -2.092 -4.478 1.00 1.13 H ATOM 241 N VAL A 14 4.773 1.620 -1.158 1.00 0.25 N ATOM 242 CA VAL A 14 5.569 2.656 -0.523 1.00 0.37 C ATOM 243 C VAL A 14 6.586 2.042 0.435 1.00 0.45 C ATOM 244 O VAL A 14 7.772 2.366 0.390 1.00 0.52 O ATOM 245 CB VAL A 14 4.675 3.648 0.248 1.00 0.53 C ATOM 246 CG1 VAL A 14 5.512 4.754 0.860 1.00 1.22 C ATOM 247 CG2 VAL A 14 3.603 4.229 -0.662 1.00 1.19 C ATOM 248 H VAL A 14 3.808 1.584 -0.971 1.00 0.26 H ATOM 249 HA VAL A 14 6.094 3.197 -1.296 1.00 0.39 H ATOM 250 HB VAL A 14 4.185 3.114 1.050 1.00 1.03 H ATOM 251 HG11 VAL A 14 6.022 5.293 0.076 1.00 1.77 H ATOM 252 HG12 VAL A 14 6.238 4.322 1.531 1.00 1.79 H ATOM 253 HG13 VAL A 14 4.871 5.429 1.405 1.00 1.76 H ATOM 254 HG21 VAL A 14 2.984 4.913 -0.100 1.00 1.76 H ATOM 255 HG22 VAL A 14 2.991 3.430 -1.053 1.00 1.72 H ATOM 256 HG23 VAL A 14 4.071 4.758 -1.481 1.00 1.78 H ATOM 257 N GLY A 15 6.119 1.139 1.284 1.00 0.54 N ATOM 258 CA GLY A 15 6.998 0.495 2.240 1.00 0.72 C ATOM 259 C GLY A 15 8.007 -0.414 1.571 1.00 0.76 C ATOM 260 O GLY A 15 9.113 -0.603 2.079 1.00 0.91 O ATOM 261 H GLY A 15 5.165 0.906 1.265 1.00 0.53 H ATOM 262 HA2 GLY A 15 7.526 1.256 2.793 1.00 0.78 H ATOM 263 HA3 GLY A 15 6.403 -0.087 2.926 1.00 0.85 H ATOM 264 N GLY A 16 7.627 -0.970 0.426 1.00 0.74 N ATOM 265 CA GLY A 16 8.517 -1.840 -0.316 1.00 0.92 C ATOM 266 C GLY A 16 9.724 -1.103 -0.859 1.00 0.95 C ATOM 267 O GLY A 16 10.850 -1.599 -0.779 1.00 1.20 O ATOM 268 H GLY A 16 6.726 -0.793 0.082 1.00 0.67 H ATOM 269 HA2 GLY A 16 8.855 -2.632 0.336 1.00 1.10 H ATOM 270 HA3 GLY A 16 7.974 -2.275 -1.141 1.00 0.95 H ATOM 271 N MET A 17 9.496 0.092 -1.397 1.00 0.82 N ATOM 272 CA MET A 17 10.587 0.905 -1.925 1.00 0.98 C ATOM 273 C MET A 17 11.407 1.507 -0.787 1.00 1.04 C ATOM 274 O MET A 17 12.527 1.972 -0.991 1.00 1.22 O ATOM 275 CB MET A 17 10.061 2.013 -2.847 1.00 1.03 C ATOM 276 CG MET A 17 9.225 3.068 -2.140 1.00 1.22 C ATOM 277 SD MET A 17 8.681 4.390 -3.241 1.00 1.89 S ATOM 278 CE MET A 17 10.254 5.091 -3.738 1.00 2.61 C ATOM 279 H MET A 17 8.574 0.428 -1.449 1.00 0.72 H ATOM 280 HA MET A 17 11.229 0.253 -2.500 1.00 1.18 H ATOM 281 HB2 MET A 17 10.902 2.505 -3.310 1.00 1.50 H ATOM 282 HB3 MET A 17 9.453 1.562 -3.618 1.00 1.56 H ATOM 283 HG2 MET A 17 8.353 2.593 -1.717 1.00 1.64 H ATOM 284 HG3 MET A 17 9.817 3.503 -1.346 1.00 1.77 H ATOM 285 HE1 MET A 17 10.801 5.402 -2.861 1.00 3.04 H ATOM 286 HE2 MET A 17 10.080 5.943 -4.378 1.00 3.03 H ATOM 287 HE3 MET A 17 10.825 4.349 -4.276 1.00 3.03 H ATOM 288 N LYS A 18 10.840 1.498 0.415 1.00 1.04 N ATOM 289 CA LYS A 18 11.556 1.945 1.604 1.00 1.24 C ATOM 290 C LYS A 18 12.377 0.801 2.185 1.00 1.56 C ATOM 291 O LYS A 18 13.336 1.020 2.921 1.00 2.01 O ATOM 292 CB LYS A 18 10.583 2.470 2.665 1.00 1.56 C ATOM 293 CG LYS A 18 9.891 3.771 2.291 1.00 2.04 C ATOM 294 CD LYS A 18 10.883 4.916 2.159 1.00 2.67 C ATOM 295 CE LYS A 18 10.179 6.239 1.902 1.00 3.27 C ATOM 296 NZ LYS A 18 9.342 6.655 3.057 1.00 3.89 N ATOM 297 H LYS A 18 9.915 1.182 0.504 1.00 1.02 H ATOM 298 HA LYS A 18 12.225 2.740 1.311 1.00 1.33 H ATOM 299 HB2 LYS A 18 9.822 1.722 2.835 1.00 2.01 H ATOM 300 HB3 LYS A 18 11.127 2.628 3.583 1.00 1.88 H ATOM 301 HG2 LYS A 18 9.381 3.640 1.349 1.00 2.29 H ATOM 302 HG3 LYS A 18 9.173 4.017 3.058 1.00 2.48 H ATOM 303 HD2 LYS A 18 11.449 4.994 3.074 1.00 3.05 H ATOM 304 HD3 LYS A 18 11.551 4.708 1.336 1.00 3.02 H ATOM 305 HE2 LYS A 18 10.925 6.998 1.719 1.00 3.60 H ATOM 306 HE3 LYS A 18 9.551 6.132 1.031 1.00 3.59 H ATOM 307 HZ1 LYS A 18 9.917 6.810 3.861 1.00 4.24 H ATOM 308 HZ2 LYS A 18 8.674 5.944 3.275 1.00 4.15 H ATOM 309 HZ3 LYS A 18 8.852 7.500 2.840 1.00 4.19 H ATOM 310 N ALA A 19 11.997 -0.421 1.836 1.00 1.66 N ATOM 311 CA ALA A 19 12.671 -1.608 2.337 1.00 2.22 C ATOM 312 C ALA A 19 13.840 -1.996 1.441 1.00 2.97 C ATOM 313 O ALA A 19 14.481 -3.023 1.651 1.00 3.52 O ATOM 314 CB ALA A 19 11.685 -2.758 2.460 1.00 2.40 C ATOM 315 H ALA A 19 11.234 -0.527 1.228 1.00 1.57 H ATOM 316 HA ALA A 19 13.048 -1.384 3.323 1.00 2.48 H ATOM 317 HB1 ALA A 19 12.182 -3.615 2.887 1.00 2.69 H ATOM 318 HB2 ALA A 19 11.303 -3.013 1.483 1.00 2.74 H ATOM 319 HB3 ALA A 19 10.865 -2.462 3.099 1.00 2.70 H ATOM 320 N VAL A 20 14.106 -1.169 0.440 1.00 3.41 N ATOM 321 CA VAL A 20 15.235 -1.384 -0.450 1.00 4.44 C ATOM 322 C VAL A 20 16.539 -1.108 0.292 1.00 5.14 C ATOM 323 O VAL A 20 17.278 -2.075 0.584 1.00 5.65 O ATOM 324 CB VAL A 20 15.143 -0.487 -1.704 1.00 4.95 C ATOM 325 CG1 VAL A 20 16.349 -0.689 -2.611 1.00 5.47 C ATOM 326 CG2 VAL A 20 13.855 -0.764 -2.462 1.00 5.14 C ATOM 327 OXT VAL A 20 16.795 0.068 0.622 1.00 5.52 O ATOM 328 H VAL A 20 13.532 -0.390 0.302 1.00 3.24 H ATOM 329 HA VAL A 20 15.220 -2.417 -0.765 1.00 4.72 H ATOM 330 HB VAL A 20 15.131 0.545 -1.384 1.00 5.28 H ATOM 331 HG11 VAL A 20 17.251 -0.458 -2.066 1.00 5.70 H ATOM 332 HG12 VAL A 20 16.268 -0.036 -3.468 1.00 5.79 H ATOM 333 HG13 VAL A 20 16.381 -1.716 -2.943 1.00 5.70 H ATOM 334 HG21 VAL A 20 13.011 -0.574 -1.815 1.00 5.35 H ATOM 335 HG22 VAL A 20 13.839 -1.794 -2.782 1.00 5.36 H ATOM 336 HG23 VAL A 20 13.799 -0.117 -3.325 1.00 5.32 H TER 337 VAL A 20 ENDMDL MASTER 121 0 0 2 0 0 0 6 156 1 0 2 END