USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 794 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 THR OG1 : rot 132:sc= 0.44 USER MOD Set 1.2: A 59 GLN : amide:sc= -2.12 K(o=-1.7,f=-2.7) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 87:sc= -0.547 USER MOD Single : A 17 SER OG : rot -63:sc= 0.125 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= -0.0146 (180deg=-0.352) USER MOD Single : A 34 ASN : amide:sc= 0.167 K(o=0.17,f=-1.4) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.716 K(o=-0.72,f=-2.5!) USER MOD Single : A 45 SER OG : rot 83:sc= 1.21 USER MOD Single : A 46 THR OG1 : rot 31:sc= 1.15 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc=-0.00789 K(o=-0.0079,f=-0.95) USER MOD Single : A 73 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0144) USER MOD Single : A 76 SER OG : rot 9:sc= 0.36 USER MOD Single : A 77 SER OG : rot 150:sc= -0.595 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 93:sc= 1.28 USER MOD Single : A 88 LYS NZ :NH3+ -150:sc= -0.49 (180deg=-2.62!) USER MOD Single : A 97 ASN : amide:sc= -0.0362 X(o=-0.036,f=0) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -68:sc= 0.723 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.16 USER MOD Single : A 108 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.9!) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 165:sc= -0.66 USER MOD Single : A 111 SER OG : rot -76:sc= 0.0127 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 113 MET CE :methyl 172:sc= 0 (180deg=-0.0734) USER MOD ----------------------------------------------------------------- ATOM 77 N ASP A 8 -4.068 10.731 4.613 1.00 64.43 N ATOM 78 CA ASP A 8 -4.525 9.446 4.096 1.00 30.25 C ATOM 79 C ASP A 8 -3.597 8.320 4.544 1.00 0.10 C ATOM 80 O ASP A 8 -3.991 7.154 4.576 1.00 3.41 O ATOM 81 CB ASP A 8 -4.600 9.484 2.569 1.00 23.55 C ATOM 82 CG ASP A 8 -5.920 10.034 2.067 1.00 15.22 C ATOM 83 OD1 ASP A 8 -6.175 9.947 0.848 1.00 34.31 O ATOM 84 OD2 ASP A 8 -6.699 10.552 2.895 1.00 22.40 O ATOM 0 HA ASP A 8 -5.521 9.254 4.496 1.00 30.25 H new ATOM 0 HB2 ASP A 8 -3.785 10.096 2.183 1.00 23.55 H new ATOM 0 HB3 ASP A 8 -4.456 8.477 2.176 1.00 23.55 H new ATOM 89 N TRP A 9 -2.365 8.678 4.888 1.00 34.43 N ATOM 90 CA TRP A 9 -1.381 7.698 5.334 1.00 32.24 C ATOM 91 C TRP A 9 -1.721 7.180 6.727 1.00 54.22 C ATOM 92 O TRP A 9 -2.011 5.997 6.908 1.00 25.41 O ATOM 93 CB TRP A 9 0.020 8.313 5.332 1.00 72.45 C ATOM 94 CG TRP A 9 1.081 7.374 5.821 1.00 11.40 C ATOM 95 CD1 TRP A 9 1.854 7.522 6.937 1.00 35.20 C ATOM 96 CD2 TRP A 9 1.486 6.145 5.208 1.00 12.44 C ATOM 97 NE1 TRP A 9 2.716 6.458 7.055 1.00 2.41 N ATOM 98 CE2 TRP A 9 2.510 5.600 6.009 1.00 63.30 C ATOM 99 CE3 TRP A 9 1.084 5.452 4.065 1.00 61.21 C ATOM 100 CZ2 TRP A 9 3.135 4.395 5.697 1.00 21.11 C ATOM 101 CZ3 TRP A 9 1.705 4.256 3.757 1.00 1.22 C ATOM 102 CH2 TRP A 9 2.721 3.737 4.571 1.00 0.41 C ATOM 0 H TRP A 9 -2.024 9.639 4.867 1.00 34.43 H new ATOM 0 HA TRP A 9 -1.402 6.858 4.640 1.00 32.24 H new ATOM 0 HB2 TRP A 9 0.267 8.634 4.320 1.00 72.45 H new ATOM 0 HB3 TRP A 9 0.018 9.206 5.958 1.00 72.45 H new ATOM 0 HD1 TRP A 9 1.796 8.352 7.625 1.00 35.20 H new ATOM 0 HE1 TRP A 9 3.399 6.329 7.802 1.00 2.41 H new ATOM 0 HE3 TRP A 9 0.301 5.843 3.432 1.00 61.21 H new ATOM 0 HZ2 TRP A 9 3.919 3.994 6.322 1.00 21.11 H new ATOM 0 HZ3 TRP A 9 1.402 3.712 2.874 1.00 1.22 H new ATOM 0 HH2 TRP A 9 3.186 2.800 4.304 1.00 0.41 H new ATOM 113 N LYS A 10 -1.683 8.072 7.710 1.00 54.34 N ATOM 114 CA LYS A 10 -1.989 7.706 9.088 1.00 2.31 C ATOM 115 C LYS A 10 -3.450 7.291 9.230 1.00 33.01 C ATOM 116 O LYS A 10 -3.779 6.404 10.018 1.00 63.30 O ATOM 117 CB LYS A 10 -1.687 8.876 10.028 1.00 23.10 C ATOM 118 CG LYS A 10 -0.394 8.712 10.808 1.00 64.23 C ATOM 119 CD LYS A 10 -0.619 7.960 12.109 1.00 41.23 C ATOM 120 CE LYS A 10 -1.001 8.904 13.238 1.00 74.14 C ATOM 121 NZ LYS A 10 -1.973 8.278 14.178 1.00 3.14 N ATOM 0 H LYS A 10 -1.443 9.055 7.578 1.00 54.34 H new ATOM 0 HA LYS A 10 -1.361 6.858 9.359 1.00 2.31 H new ATOM 0 HB2 LYS A 10 -1.636 9.796 9.445 1.00 23.10 H new ATOM 0 HB3 LYS A 10 -2.513 8.990 10.730 1.00 23.10 H new ATOM 0 HG2 LYS A 10 0.334 8.177 10.199 1.00 64.23 H new ATOM 0 HG3 LYS A 10 0.030 9.693 11.022 1.00 64.23 H new ATOM 0 HD2 LYS A 10 -1.406 7.219 11.971 1.00 41.23 H new ATOM 0 HD3 LYS A 10 0.287 7.417 12.378 1.00 41.23 H new ATOM 0 HE2 LYS A 10 -0.105 9.198 13.784 1.00 74.14 H new ATOM 0 HE3 LYS A 10 -1.433 9.814 12.821 1.00 74.14 H new ATOM 0 HZ1 LYS A 10 -2.209 8.953 14.934 1.00 3.14 H new ATOM 0 HZ2 LYS A 10 -2.838 8.020 13.662 1.00 3.14 H new ATOM 0 HZ3 LYS A 10 -1.551 7.424 14.596 1.00 3.14 H new ATOM 135 N MET A 11 -4.321 7.937 8.462 1.00 72.34 N ATOM 136 CA MET A 11 -5.747 7.632 8.501 1.00 61.43 C ATOM 137 C MET A 11 -6.014 6.218 7.995 1.00 33.23 C ATOM 138 O MET A 11 -6.850 5.500 8.544 1.00 11.32 O ATOM 139 CB MET A 11 -6.529 8.643 7.660 1.00 54.04 C ATOM 140 CG MET A 11 -8.036 8.531 7.823 1.00 52.14 C ATOM 141 SD MET A 11 -8.929 9.814 6.924 1.00 51.22 S ATOM 142 CE MET A 11 -10.294 10.124 8.042 1.00 41.13 C ATOM 0 H MET A 11 -4.065 8.674 7.805 1.00 72.34 H new ATOM 0 HA MET A 11 -6.079 7.697 9.537 1.00 61.43 H new ATOM 0 HB2 MET A 11 -6.216 9.651 7.934 1.00 54.04 H new ATOM 0 HB3 MET A 11 -6.274 8.504 6.609 1.00 54.04 H new ATOM 0 HG2 MET A 11 -8.364 7.552 7.473 1.00 52.14 H new ATOM 0 HG3 MET A 11 -8.289 8.592 8.882 1.00 52.14 H new ATOM 0 HE1 MET A 11 -10.938 10.897 7.624 1.00 41.13 H new ATOM 0 HE2 MET A 11 -10.868 9.208 8.178 1.00 41.13 H new ATOM 0 HE3 MET A 11 -9.907 10.456 9.005 1.00 41.13 H new ATOM 152 N ALA A 12 -5.299 5.824 6.946 1.00 51.11 N ATOM 153 CA ALA A 12 -5.459 4.495 6.369 1.00 60.54 C ATOM 154 C ALA A 12 -5.028 3.414 7.353 1.00 33.22 C ATOM 155 O ALA A 12 -5.764 2.459 7.603 1.00 12.21 O ATOM 156 CB ALA A 12 -4.665 4.383 5.076 1.00 21.34 C ATOM 0 H ALA A 12 -4.604 6.406 6.479 1.00 51.11 H new ATOM 0 HA ALA A 12 -6.516 4.346 6.147 1.00 60.54 H new ATOM 0 HB1 ALA A 12 -4.793 3.386 4.656 1.00 21.34 H new ATOM 0 HB2 ALA A 12 -5.023 5.126 4.363 1.00 21.34 H new ATOM 0 HB3 ALA A 12 -3.609 4.557 5.281 1.00 21.34 H new ATOM 162 N ILE A 13 -3.830 3.569 7.909 1.00 52.24 N ATOM 163 CA ILE A 13 -3.302 2.605 8.866 1.00 4.10 C ATOM 164 C ILE A 13 -4.113 2.612 10.157 1.00 54.12 C ATOM 165 O ILE A 13 -4.441 1.558 10.704 1.00 62.31 O ATOM 166 CB ILE A 13 -1.826 2.893 9.198 1.00 12.34 C ATOM 167 CG1 ILE A 13 -0.976 2.852 7.926 1.00 54.25 C ATOM 168 CG2 ILE A 13 -1.308 1.891 10.221 1.00 44.11 C ATOM 169 CD1 ILE A 13 0.488 3.144 8.169 1.00 61.11 C ATOM 0 H ILE A 13 -3.208 4.353 7.713 1.00 52.24 H new ATOM 0 HA ILE A 13 -3.376 1.623 8.399 1.00 4.10 H new ATOM 0 HB ILE A 13 -1.754 3.892 9.628 1.00 12.34 H new ATOM 0 HG12 ILE A 13 -1.071 1.868 7.467 1.00 54.25 H new ATOM 0 HG13 ILE A 13 -1.369 3.576 7.212 1.00 54.25 H new ATOM 0 HG21 ILE A 13 -0.264 2.107 10.446 1.00 44.11 H new ATOM 0 HG22 ILE A 13 -1.898 1.965 11.134 1.00 44.11 H new ATOM 0 HG23 ILE A 13 -1.391 0.882 9.816 1.00 44.11 H new ATOM 0 HD11 ILE A 13 1.030 3.098 7.224 1.00 61.11 H new ATOM 0 HD12 ILE A 13 0.594 4.140 8.600 1.00 61.11 H new ATOM 0 HD13 ILE A 13 0.897 2.405 8.858 1.00 61.11 H new ATOM 181 N LYS A 14 -4.436 3.806 10.641 1.00 64.20 N ATOM 182 CA LYS A 14 -5.212 3.952 11.867 1.00 5.35 C ATOM 183 C LYS A 14 -6.531 3.192 11.770 1.00 1.23 C ATOM 184 O LYS A 14 -6.911 2.470 12.691 1.00 14.13 O ATOM 185 CB LYS A 14 -5.483 5.432 12.150 1.00 21.43 C ATOM 186 CG LYS A 14 -6.389 5.666 13.347 1.00 60.20 C ATOM 187 CD LYS A 14 -5.694 6.488 14.419 1.00 51.13 C ATOM 188 CE LYS A 14 -6.676 7.385 15.157 1.00 12.44 C ATOM 189 NZ LYS A 14 -6.219 8.802 15.188 1.00 32.04 N ATOM 0 H LYS A 14 -4.172 4.688 10.202 1.00 64.20 H new ATOM 0 HA LYS A 14 -4.631 3.532 12.688 1.00 5.35 H new ATOM 0 HB2 LYS A 14 -4.534 5.941 12.318 1.00 21.43 H new ATOM 0 HB3 LYS A 14 -5.936 5.885 11.268 1.00 21.43 H new ATOM 0 HG2 LYS A 14 -7.295 6.179 13.024 1.00 60.20 H new ATOM 0 HG3 LYS A 14 -6.697 4.707 13.765 1.00 60.20 H new ATOM 0 HD2 LYS A 14 -5.204 5.822 15.129 1.00 51.13 H new ATOM 0 HD3 LYS A 14 -4.914 7.098 13.963 1.00 51.13 H new ATOM 0 HE2 LYS A 14 -7.652 7.329 14.675 1.00 12.44 H new ATOM 0 HE3 LYS A 14 -6.803 7.022 16.177 1.00 12.44 H new ATOM 0 HZ1 LYS A 14 -6.916 9.380 15.700 1.00 32.04 H new ATOM 0 HZ2 LYS A 14 -5.300 8.860 15.671 1.00 32.04 H new ATOM 0 HZ3 LYS A 14 -6.122 9.157 14.215 1.00 32.04 H new ATOM 203 N ARG A 15 -7.223 3.358 10.647 1.00 50.20 N ATOM 204 CA ARG A 15 -8.499 2.688 10.431 1.00 32.11 C ATOM 205 C ARG A 15 -8.286 1.224 10.053 1.00 21.10 C ATOM 206 O ARG A 15 -9.132 0.372 10.329 1.00 5.11 O ATOM 207 CB ARG A 15 -9.294 3.398 9.334 1.00 11.42 C ATOM 208 CG ARG A 15 -10.766 3.575 9.665 1.00 71.10 C ATOM 209 CD ARG A 15 -11.603 3.751 8.408 1.00 43.15 C ATOM 210 NE ARG A 15 -12.860 4.444 8.680 1.00 42.30 N ATOM 211 CZ ARG A 15 -13.888 3.883 9.306 1.00 10.10 C ATOM 212 NH1 ARG A 15 -13.809 2.627 9.723 1.00 21.45 N ATOM 213 NH2 ARG A 15 -14.998 4.579 9.517 1.00 1.22 N ATOM 0 H ARG A 15 -6.921 3.950 9.874 1.00 50.20 H new ATOM 0 HA ARG A 15 -9.064 2.728 11.362 1.00 32.11 H new ATOM 0 HB2 ARG A 15 -8.851 4.377 9.152 1.00 11.42 H new ATOM 0 HB3 ARG A 15 -9.205 2.831 8.408 1.00 11.42 H new ATOM 0 HG2 ARG A 15 -11.122 2.708 10.222 1.00 71.10 H new ATOM 0 HG3 ARG A 15 -10.893 4.443 10.312 1.00 71.10 H new ATOM 0 HD2 ARG A 15 -11.032 4.312 7.668 1.00 43.15 H new ATOM 0 HD3 ARG A 15 -11.814 2.774 7.973 1.00 43.15 H new ATOM 0 HE ARG A 15 -12.953 5.412 8.372 1.00 42.30 H new ATOM 0 HH11 ARG A 15 -12.957 2.089 9.563 1.00 21.45 H new ATOM 0 HH12 ARG A 15 -14.600 2.198 10.204 1.00 21.45 H new ATOM 0 HH21 ARG A 15 -15.062 5.546 9.198 1.00 1.22 H new ATOM 0 HH22 ARG A 15 -15.787 4.147 9.998 1.00 1.22 H new ATOM 227 N CYS A 16 -7.153 0.941 9.419 1.00 73.12 N ATOM 228 CA CYS A 16 -6.830 -0.419 9.002 1.00 52.22 C ATOM 229 C CYS A 16 -6.621 -1.323 10.212 1.00 60.43 C ATOM 230 O CYS A 16 -6.808 -2.538 10.131 1.00 25.12 O ATOM 231 CB CYS A 16 -5.576 -0.421 8.126 1.00 43.32 C ATOM 232 SG CYS A 16 -5.916 -0.366 6.351 1.00 51.43 S ATOM 0 H CYS A 16 -6.443 1.635 9.183 1.00 73.12 H new ATOM 0 HA CYS A 16 -7.669 -0.805 8.424 1.00 52.22 H new ATOM 0 HB2 CYS A 16 -4.958 0.436 8.393 1.00 43.32 H new ATOM 0 HB3 CYS A 16 -4.993 -1.316 8.346 1.00 43.32 H new ATOM 0 HG CYS A 16 -6.029 0.871 5.969 1.00 51.43 H new ATOM 238 N SER A 17 -6.232 -0.724 11.332 1.00 74.22 N ATOM 239 CA SER A 17 -5.993 -1.478 12.558 1.00 3.35 C ATOM 240 C SER A 17 -7.254 -2.214 12.998 1.00 14.05 C ATOM 241 O SER A 17 -7.190 -3.167 13.774 1.00 1.30 O ATOM 242 CB SER A 17 -5.519 -0.541 13.672 1.00 71.33 C ATOM 243 OG SER A 17 -4.166 -0.167 13.483 1.00 13.13 O ATOM 0 H SER A 17 -6.075 0.280 11.417 1.00 74.22 H new ATOM 0 HA SER A 17 -5.216 -2.215 12.357 1.00 3.35 H new ATOM 0 HB2 SER A 17 -6.146 0.350 13.693 1.00 71.33 H new ATOM 0 HB3 SER A 17 -5.632 -1.033 14.638 1.00 71.33 H new ATOM 0 HG SER A 17 -3.596 -0.962 13.539 1.00 13.13 H new ATOM 249 N ASN A 18 -8.400 -1.765 12.497 1.00 30.53 N ATOM 250 CA ASN A 18 -9.677 -2.381 12.838 1.00 24.12 C ATOM 251 C ASN A 18 -9.692 -3.854 12.444 1.00 72.23 C ATOM 252 O ASN A 18 -10.208 -4.698 13.176 1.00 54.04 O ATOM 253 CB ASN A 18 -10.824 -1.643 12.144 1.00 24.10 C ATOM 254 CG ASN A 18 -12.117 -1.715 12.931 1.00 72.04 C ATOM 255 OD1 ASN A 18 -12.222 -1.163 14.027 1.00 75.42 O ATOM 256 ND2 ASN A 18 -13.111 -2.398 12.374 1.00 51.13 N ATOM 0 H ASN A 18 -8.471 -0.977 11.853 1.00 30.53 H new ATOM 0 HA ASN A 18 -9.810 -2.311 13.918 1.00 24.12 H new ATOM 0 HB2 ASN A 18 -10.547 -0.599 12.001 1.00 24.10 H new ATOM 0 HB3 ASN A 18 -10.980 -2.070 11.153 1.00 24.10 H new ATOM 0 HD21 ASN A 18 -14.006 -2.481 12.856 1.00 51.13 H new ATOM 0 HD22 ASN A 18 -12.979 -2.839 11.464 1.00 51.13 H new ATOM 263 N VAL A 19 -9.123 -4.157 11.282 1.00 62.21 N ATOM 264 CA VAL A 19 -9.070 -5.529 10.790 1.00 51.21 C ATOM 265 C VAL A 19 -8.097 -6.369 11.609 1.00 2.11 C ATOM 266 O VAL A 19 -7.155 -5.843 12.203 1.00 22.12 O ATOM 267 CB VAL A 19 -8.653 -5.578 9.309 1.00 62.32 C ATOM 268 CG1 VAL A 19 -9.523 -4.648 8.477 1.00 72.12 C ATOM 269 CG2 VAL A 19 -7.182 -5.224 9.157 1.00 44.32 C ATOM 0 H VAL A 19 -8.692 -3.470 10.663 1.00 62.21 H new ATOM 0 HA VAL A 19 -10.074 -5.941 10.891 1.00 51.21 H new ATOM 0 HB VAL A 19 -8.798 -6.595 8.943 1.00 62.32 H new ATOM 0 HG11 VAL A 19 -9.213 -4.697 7.433 1.00 72.12 H new ATOM 0 HG12 VAL A 19 -10.566 -4.954 8.560 1.00 72.12 H new ATOM 0 HG13 VAL A 19 -9.415 -3.626 8.841 1.00 72.12 H new ATOM 0 HG21 VAL A 19 -6.905 -5.264 8.103 1.00 44.32 H new ATOM 0 HG22 VAL A 19 -7.008 -4.218 9.540 1.00 44.32 H new ATOM 0 HG23 VAL A 19 -6.577 -5.936 9.718 1.00 44.32 H new ATOM 279 N ALA A 20 -8.330 -7.676 11.636 1.00 14.02 N ATOM 280 CA ALA A 20 -7.472 -8.590 12.381 1.00 21.33 C ATOM 281 C ALA A 20 -6.502 -9.313 11.451 1.00 41.42 C ATOM 282 O ALA A 20 -6.916 -10.075 10.578 1.00 34.11 O ATOM 283 CB ALA A 20 -8.314 -9.595 13.153 1.00 31.30 C ATOM 0 H ALA A 20 -9.106 -8.127 11.151 1.00 14.02 H new ATOM 0 HA ALA A 20 -6.887 -8.003 13.089 1.00 21.33 H new ATOM 0 HB1 ALA A 20 -7.660 -10.271 13.704 1.00 31.30 H new ATOM 0 HB2 ALA A 20 -8.962 -9.066 13.852 1.00 31.30 H new ATOM 0 HB3 ALA A 20 -8.925 -10.169 12.456 1.00 31.30 H new ATOM 289 N VAL A 21 -5.210 -9.067 11.644 1.00 41.40 N ATOM 290 CA VAL A 21 -4.182 -9.695 10.823 1.00 15.42 C ATOM 291 C VAL A 21 -4.291 -11.214 10.873 1.00 33.50 C ATOM 292 O VAL A 21 -3.865 -11.908 9.950 1.00 34.44 O ATOM 293 CB VAL A 21 -2.770 -9.277 11.276 1.00 45.51 C ATOM 294 CG1 VAL A 21 -1.724 -9.774 10.289 1.00 14.21 C ATOM 295 CG2 VAL A 21 -2.688 -7.766 11.437 1.00 61.15 C ATOM 0 H VAL A 21 -4.851 -8.437 12.362 1.00 41.40 H new ATOM 0 HA VAL A 21 -4.343 -9.356 9.800 1.00 15.42 H new ATOM 0 HB VAL A 21 -2.567 -9.734 12.245 1.00 45.51 H new ATOM 0 HG11 VAL A 21 -0.733 -9.469 10.625 1.00 14.21 H new ATOM 0 HG12 VAL A 21 -1.768 -10.861 10.229 1.00 14.21 H new ATOM 0 HG13 VAL A 21 -1.920 -9.348 9.305 1.00 14.21 H new ATOM 0 HG21 VAL A 21 -1.684 -7.488 11.757 1.00 61.15 H new ATOM 0 HG22 VAL A 21 -2.911 -7.286 10.484 1.00 61.15 H new ATOM 0 HG23 VAL A 21 -3.411 -7.440 12.185 1.00 61.15 H new ATOM 375 N LYS A 28 -4.774 -10.214 17.175 1.00 13.52 N ATOM 376 CA LYS A 28 -3.845 -9.706 16.174 1.00 5.34 C ATOM 377 C LYS A 28 -4.526 -8.685 15.268 1.00 45.31 C ATOM 378 O LYS A 28 -5.312 -9.043 14.391 1.00 74.11 O ATOM 379 CB LYS A 28 -3.288 -10.857 15.334 1.00 60.43 C ATOM 380 CG LYS A 28 -1.931 -10.561 14.719 1.00 72.13 C ATOM 381 CD LYS A 28 -0.799 -11.075 15.592 1.00 13.22 C ATOM 382 CE LYS A 28 0.461 -11.328 14.779 1.00 20.12 C ATOM 383 NZ LYS A 28 0.771 -12.781 14.675 1.00 20.43 N ATOM 0 HA LYS A 28 -3.024 -9.213 16.694 1.00 5.34 H new ATOM 0 HB2 LYS A 28 -3.208 -11.746 15.959 1.00 60.43 H new ATOM 0 HB3 LYS A 28 -3.995 -11.090 14.538 1.00 60.43 H new ATOM 0 HG2 LYS A 28 -1.869 -11.022 13.733 1.00 72.13 H new ATOM 0 HG3 LYS A 28 -1.822 -9.486 14.576 1.00 72.13 H new ATOM 0 HD2 LYS A 28 -0.587 -10.350 16.378 1.00 13.22 H new ATOM 0 HD3 LYS A 28 -1.107 -11.998 16.084 1.00 13.22 H new ATOM 0 HE2 LYS A 28 0.339 -10.910 13.780 1.00 20.12 H new ATOM 0 HE3 LYS A 28 1.301 -10.809 15.240 1.00 20.12 H new ATOM 0 HZ1 LYS A 28 1.637 -12.912 14.114 1.00 20.43 H new ATOM 0 HZ2 LYS A 28 0.913 -13.175 15.627 1.00 20.43 H new ATOM 0 HZ3 LYS A 28 -0.020 -13.272 14.212 1.00 20.43 H new ATOM 397 N LYS A 29 -4.217 -7.410 15.484 1.00 12.11 N ATOM 398 CA LYS A 29 -4.797 -6.336 14.686 1.00 61.30 C ATOM 399 C LYS A 29 -3.725 -5.632 13.861 1.00 1.25 C ATOM 400 O LYS A 29 -2.560 -5.576 14.257 1.00 62.35 O ATOM 401 CB LYS A 29 -5.505 -5.326 15.591 1.00 40.53 C ATOM 402 CG LYS A 29 -6.800 -5.848 16.189 1.00 42.34 C ATOM 403 CD LYS A 29 -7.855 -6.078 15.120 1.00 32.11 C ATOM 404 CE LYS A 29 -9.259 -6.013 15.699 1.00 52.44 C ATOM 405 NZ LYS A 29 -10.172 -6.999 15.056 1.00 32.33 N ATOM 0 H LYS A 29 -3.568 -7.096 16.205 1.00 12.11 H new ATOM 0 HA LYS A 29 -5.525 -6.776 14.004 1.00 61.30 H new ATOM 0 HB2 LYS A 29 -4.831 -5.040 16.399 1.00 40.53 H new ATOM 0 HB3 LYS A 29 -5.717 -4.423 15.018 1.00 40.53 H new ATOM 0 HG2 LYS A 29 -6.607 -6.781 16.718 1.00 42.34 H new ATOM 0 HG3 LYS A 29 -7.175 -5.136 16.924 1.00 42.34 H new ATOM 0 HD2 LYS A 29 -7.749 -5.329 14.336 1.00 32.11 H new ATOM 0 HD3 LYS A 29 -7.697 -7.051 14.655 1.00 32.11 H new ATOM 0 HE2 LYS A 29 -9.218 -6.202 16.772 1.00 52.44 H new ATOM 0 HE3 LYS A 29 -9.660 -5.008 15.567 1.00 52.44 H new ATOM 0 HZ1 LYS A 29 -11.159 -6.750 15.271 1.00 32.33 H new ATOM 0 HZ2 LYS A 29 -10.028 -6.985 14.026 1.00 32.33 H new ATOM 0 HZ3 LYS A 29 -9.968 -7.951 15.421 1.00 32.33 H new ATOM 419 N PHE A 30 -4.126 -5.094 12.714 1.00 5.32 N ATOM 420 CA PHE A 30 -3.199 -4.392 11.834 1.00 65.12 C ATOM 421 C PHE A 30 -2.425 -3.323 12.600 1.00 20.44 C ATOM 422 O PHE A 30 -2.757 -2.996 13.738 1.00 54.20 O ATOM 423 CB PHE A 30 -3.956 -3.753 10.668 1.00 24.01 C ATOM 424 CG PHE A 30 -3.303 -3.980 9.334 1.00 44.51 C ATOM 425 CD1 PHE A 30 -3.029 -5.264 8.891 1.00 32.11 C ATOM 426 CD2 PHE A 30 -2.964 -2.909 8.523 1.00 24.13 C ATOM 427 CE1 PHE A 30 -2.430 -5.476 7.663 1.00 14.11 C ATOM 428 CE2 PHE A 30 -2.365 -3.115 7.294 1.00 22.33 C ATOM 429 CZ PHE A 30 -2.095 -4.400 6.865 1.00 70.03 C ATOM 0 H PHE A 30 -5.086 -5.131 12.372 1.00 5.32 H new ATOM 0 HA PHE A 30 -2.488 -5.119 11.442 1.00 65.12 H new ATOM 0 HB2 PHE A 30 -4.970 -4.153 10.640 1.00 24.01 H new ATOM 0 HB3 PHE A 30 -4.041 -2.681 10.844 1.00 24.01 H new ATOM 0 HD1 PHE A 30 -3.286 -6.109 9.512 1.00 32.11 H new ATOM 0 HD2 PHE A 30 -3.170 -1.902 8.855 1.00 24.13 H new ATOM 0 HE1 PHE A 30 -2.224 -6.482 7.328 1.00 14.11 H new ATOM 0 HE2 PHE A 30 -2.108 -2.272 6.670 1.00 22.33 H new ATOM 0 HZ PHE A 30 -1.623 -4.563 5.907 1.00 70.03 H new ATOM 439 N GLY A 31 -1.388 -2.783 11.965 1.00 51.23 N ATOM 440 CA GLY A 31 -0.582 -1.757 12.602 1.00 42.05 C ATOM 441 C GLY A 31 0.275 -0.996 11.610 1.00 5.14 C ATOM 442 O GLY A 31 0.096 -1.124 10.400 1.00 25.12 O ATOM 0 H GLY A 31 -1.092 -3.037 11.023 1.00 51.23 H new ATOM 0 HA2 GLY A 31 -1.235 -1.058 13.125 1.00 42.05 H new ATOM 0 HA3 GLY A 31 0.059 -2.217 13.354 1.00 42.05 H new ATOM 446 N GLU A 32 1.208 -0.202 12.125 1.00 43.43 N ATOM 447 CA GLU A 32 2.095 0.585 11.275 1.00 43.22 C ATOM 448 C GLU A 32 3.371 -0.189 10.956 1.00 52.23 C ATOM 449 O GLU A 32 3.700 -0.412 9.793 1.00 61.43 O ATOM 450 CB GLU A 32 2.445 1.911 11.954 1.00 23.12 C ATOM 451 CG GLU A 32 1.229 2.710 12.394 1.00 20.22 C ATOM 452 CD GLU A 32 1.574 3.791 13.399 1.00 74.11 C ATOM 453 OE1 GLU A 32 2.778 4.073 13.577 1.00 62.33 O ATOM 454 OE2 GLU A 32 0.641 4.353 14.010 1.00 23.10 O ATOM 0 H GLU A 32 1.370 -0.086 13.125 1.00 43.43 H new ATOM 0 HA GLU A 32 1.573 0.791 10.341 1.00 43.22 H new ATOM 0 HB2 GLU A 32 3.071 1.710 12.823 1.00 23.12 H new ATOM 0 HB3 GLU A 32 3.037 2.516 11.267 1.00 23.12 H new ATOM 0 HG2 GLU A 32 0.763 3.166 11.521 1.00 20.22 H new ATOM 0 HG3 GLU A 32 0.494 2.034 12.831 1.00 20.22 H new ATOM 461 N GLY A 33 4.086 -0.595 12.001 1.00 63.11 N ATOM 462 CA GLY A 33 5.318 -1.338 11.813 1.00 3.12 C ATOM 463 C GLY A 33 5.117 -2.596 10.991 1.00 55.24 C ATOM 464 O GLY A 33 5.932 -2.919 10.129 1.00 71.31 O ATOM 0 H GLY A 33 3.834 -0.423 12.974 1.00 63.11 H new ATOM 0 HA2 GLY A 33 6.052 -0.700 11.321 1.00 3.12 H new ATOM 0 HA3 GLY A 33 5.729 -1.606 12.786 1.00 3.12 H new ATOM 468 N ASN A 34 4.027 -3.308 11.261 1.00 33.44 N ATOM 469 CA ASN A 34 3.721 -4.540 10.541 1.00 35.25 C ATOM 470 C ASN A 34 3.585 -4.276 9.045 1.00 40.23 C ATOM 471 O ASN A 34 4.205 -4.952 8.225 1.00 22.34 O ATOM 472 CB ASN A 34 2.433 -5.164 11.081 1.00 33.24 C ATOM 473 CG ASN A 34 2.434 -5.275 12.594 1.00 44.13 C ATOM 474 OD1 ASN A 34 2.200 -4.292 13.298 1.00 14.41 O ATOM 475 ND2 ASN A 34 2.696 -6.473 13.099 1.00 32.13 N ATOM 0 H ASN A 34 3.342 -3.054 11.972 1.00 33.44 H new ATOM 0 HA ASN A 34 4.545 -5.236 10.695 1.00 35.25 H new ATOM 0 HB2 ASN A 34 1.581 -4.563 10.764 1.00 33.24 H new ATOM 0 HB3 ASN A 34 2.303 -6.155 10.647 1.00 33.24 H new ATOM 0 HD21 ASN A 34 2.709 -6.609 14.110 1.00 32.13 H new ATOM 0 HD22 ASN A 34 2.884 -7.259 12.477 1.00 32.13 H new ATOM 482 N PHE A 35 2.767 -3.288 8.697 1.00 30.52 N ATOM 483 CA PHE A 35 2.548 -2.935 7.299 1.00 52.23 C ATOM 484 C PHE A 35 3.871 -2.660 6.593 1.00 4.44 C ATOM 485 O PHE A 35 4.092 -3.106 5.467 1.00 74.54 O ATOM 486 CB PHE A 35 1.638 -1.708 7.198 1.00 12.43 C ATOM 487 CG PHE A 35 1.411 -1.245 5.788 1.00 44.31 C ATOM 488 CD1 PHE A 35 1.553 0.092 5.452 1.00 44.31 C ATOM 489 CD2 PHE A 35 1.055 -2.146 4.798 1.00 42.03 C ATOM 490 CE1 PHE A 35 1.345 0.522 4.155 1.00 65.40 C ATOM 491 CE2 PHE A 35 0.846 -1.722 3.499 1.00 60.51 C ATOM 492 CZ PHE A 35 0.989 -0.387 3.177 1.00 31.23 C ATOM 0 H PHE A 35 2.245 -2.718 9.363 1.00 30.52 H new ATOM 0 HA PHE A 35 2.064 -3.780 6.809 1.00 52.23 H new ATOM 0 HB2 PHE A 35 0.676 -1.940 7.655 1.00 12.43 H new ATOM 0 HB3 PHE A 35 2.076 -0.893 7.774 1.00 12.43 H new ATOM 0 HD1 PHE A 35 1.830 0.807 6.213 1.00 44.31 H new ATOM 0 HD2 PHE A 35 0.939 -3.191 5.044 1.00 42.03 H new ATOM 0 HE1 PHE A 35 1.461 1.567 3.906 1.00 65.40 H new ATOM 0 HE2 PHE A 35 0.571 -2.435 2.736 1.00 60.51 H new ATOM 0 HZ PHE A 35 0.823 -0.054 2.163 1.00 31.23 H new ATOM 502 N ARG A 36 4.750 -1.920 7.263 1.00 25.21 N ATOM 503 CA ARG A 36 6.052 -1.583 6.700 1.00 73.04 C ATOM 504 C ARG A 36 6.867 -2.843 6.423 1.00 55.22 C ATOM 505 O ARG A 36 7.523 -2.955 5.388 1.00 75.22 O ATOM 506 CB ARG A 36 6.820 -0.665 7.651 1.00 42.20 C ATOM 507 CG ARG A 36 5.987 0.487 8.191 1.00 31.33 C ATOM 508 CD ARG A 36 6.661 1.827 7.942 1.00 1.25 C ATOM 509 NE ARG A 36 6.437 2.764 9.040 1.00 3.14 N ATOM 510 CZ ARG A 36 7.071 2.696 10.205 1.00 53.42 C ATOM 511 NH1 ARG A 36 7.963 1.740 10.424 1.00 35.43 N ATOM 512 NH2 ARG A 36 6.813 3.586 11.156 1.00 64.50 N ATOM 0 H ARG A 36 4.584 -1.543 8.196 1.00 25.21 H new ATOM 0 HA ARG A 36 5.888 -1.062 5.757 1.00 73.04 H new ATOM 0 HB2 ARG A 36 7.195 -1.254 8.488 1.00 42.20 H new ATOM 0 HB3 ARG A 36 7.689 -0.262 7.131 1.00 42.20 H new ATOM 0 HG2 ARG A 36 5.005 0.479 7.719 1.00 31.33 H new ATOM 0 HG3 ARG A 36 5.828 0.352 9.261 1.00 31.33 H new ATOM 0 HD2 ARG A 36 7.732 1.675 7.808 1.00 1.25 H new ATOM 0 HD3 ARG A 36 6.282 2.257 7.015 1.00 1.25 H new ATOM 0 HE ARG A 36 5.756 3.511 8.905 1.00 3.14 H new ATOM 0 HH11 ARG A 36 8.164 1.054 9.697 1.00 35.43 H new ATOM 0 HH12 ARG A 36 8.448 1.691 11.320 1.00 35.43 H new ATOM 0 HH21 ARG A 36 6.127 4.323 10.992 1.00 64.50 H new ATOM 0 HH22 ARG A 36 7.301 3.533 12.050 1.00 64.50 H new ATOM 526 N TRP A 37 6.820 -3.787 7.356 1.00 33.55 N ATOM 527 CA TRP A 37 7.555 -5.040 7.213 1.00 4.34 C ATOM 528 C TRP A 37 7.100 -5.800 5.972 1.00 51.01 C ATOM 529 O TRP A 37 7.905 -6.431 5.289 1.00 10.43 O ATOM 530 CB TRP A 37 7.368 -5.910 8.457 1.00 23.32 C ATOM 531 CG TRP A 37 7.923 -7.294 8.303 1.00 3.34 C ATOM 532 CD1 TRP A 37 9.138 -7.743 8.735 1.00 4.22 C ATOM 533 CD2 TRP A 37 7.284 -8.407 7.671 1.00 73.23 C ATOM 534 NE1 TRP A 37 9.293 -9.068 8.410 1.00 72.15 N ATOM 535 CE2 TRP A 37 8.168 -9.500 7.757 1.00 11.43 C ATOM 536 CE3 TRP A 37 6.048 -8.590 7.043 1.00 3.01 C ATOM 537 CZ2 TRP A 37 7.857 -10.754 7.237 1.00 52.34 C ATOM 538 CZ3 TRP A 37 5.741 -9.834 6.527 1.00 51.11 C ATOM 539 CH2 TRP A 37 6.641 -10.903 6.627 1.00 41.13 C ATOM 0 H TRP A 37 6.282 -3.710 8.219 1.00 33.55 H new ATOM 0 HA TRP A 37 8.613 -4.801 7.102 1.00 4.34 H new ATOM 0 HB2 TRP A 37 7.850 -5.425 9.306 1.00 23.32 H new ATOM 0 HB3 TRP A 37 6.305 -5.976 8.689 1.00 23.32 H new ATOM 0 HD1 TRP A 37 9.870 -7.144 9.256 1.00 4.22 H new ATOM 0 HE1 TRP A 37 10.112 -9.638 8.620 1.00 72.15 H new ATOM 0 HE3 TRP A 37 5.346 -7.773 6.963 1.00 3.01 H new ATOM 0 HZ2 TRP A 37 8.550 -11.579 7.312 1.00 52.34 H new ATOM 0 HZ3 TRP A 37 4.790 -9.985 6.038 1.00 51.11 H new ATOM 0 HH2 TRP A 37 6.370 -11.864 6.215 1.00 41.13 H new ATOM 550 N ALA A 38 5.804 -5.735 5.687 1.00 45.24 N ATOM 551 CA ALA A 38 5.242 -6.415 4.527 1.00 60.51 C ATOM 552 C ALA A 38 5.699 -5.756 3.229 1.00 53.14 C ATOM 553 O ALA A 38 6.308 -6.401 2.377 1.00 22.35 O ATOM 554 CB ALA A 38 3.722 -6.429 4.607 1.00 13.25 C ATOM 0 H ALA A 38 5.123 -5.218 6.244 1.00 45.24 H new ATOM 0 HA ALA A 38 5.604 -7.443 4.530 1.00 60.51 H new ATOM 0 HB1 ALA A 38 3.316 -6.940 3.734 1.00 13.25 H new ATOM 0 HB2 ALA A 38 3.410 -6.952 5.511 1.00 13.25 H new ATOM 0 HB3 ALA A 38 3.350 -5.405 4.633 1.00 13.25 H new ATOM 560 N ILE A 39 5.398 -4.470 3.087 1.00 63.21 N ATOM 561 CA ILE A 39 5.778 -3.724 1.894 1.00 24.54 C ATOM 562 C ILE A 39 7.289 -3.748 1.689 1.00 5.14 C ATOM 563 O ILE A 39 7.772 -3.849 0.561 1.00 34.01 O ATOM 564 CB ILE A 39 5.305 -2.261 1.968 1.00 71.11 C ATOM 565 CG1 ILE A 39 5.746 -1.494 0.720 1.00 22.32 C ATOM 566 CG2 ILE A 39 5.844 -1.594 3.225 1.00 54.04 C ATOM 567 CD1 ILE A 39 5.099 -0.133 0.586 1.00 34.45 C ATOM 0 H ILE A 39 4.892 -3.923 3.783 1.00 63.21 H new ATOM 0 HA ILE A 39 5.291 -4.212 1.050 1.00 24.54 H new ATOM 0 HB ILE A 39 4.216 -2.249 2.011 1.00 71.11 H new ATOM 0 HG12 ILE A 39 6.829 -1.372 0.743 1.00 22.32 H new ATOM 0 HG13 ILE A 39 5.511 -2.088 -0.163 1.00 22.32 H new ATOM 0 HG21 ILE A 39 5.501 -0.560 3.264 1.00 54.04 H new ATOM 0 HG22 ILE A 39 5.484 -2.129 4.104 1.00 54.04 H new ATOM 0 HG23 ILE A 39 6.934 -1.615 3.209 1.00 54.04 H new ATOM 0 HD11 ILE A 39 5.458 0.353 -0.321 1.00 34.45 H new ATOM 0 HD12 ILE A 39 4.017 -0.249 0.531 1.00 34.45 H new ATOM 0 HD13 ILE A 39 5.355 0.478 1.451 1.00 34.45 H new ATOM 579 N ARG A 40 8.031 -3.656 2.788 1.00 62.51 N ATOM 580 CA ARG A 40 9.488 -3.667 2.730 1.00 23.40 C ATOM 581 C ARG A 40 9.996 -4.961 2.102 1.00 21.54 C ATOM 582 O ARG A 40 10.807 -4.936 1.175 1.00 11.21 O ATOM 583 CB ARG A 40 10.077 -3.502 4.132 1.00 12.12 C ATOM 584 CG ARG A 40 11.597 -3.505 4.158 1.00 31.22 C ATOM 585 CD ARG A 40 12.146 -2.208 4.730 1.00 44.13 C ATOM 586 NE ARG A 40 12.142 -2.207 6.190 1.00 52.35 N ATOM 587 CZ ARG A 40 12.605 -1.202 6.926 1.00 31.51 C ATOM 588 NH1 ARG A 40 13.107 -0.125 6.341 1.00 43.42 N ATOM 589 NH2 ARG A 40 12.567 -1.277 8.250 1.00 55.43 N ATOM 0 H ARG A 40 7.647 -3.573 3.729 1.00 62.51 H new ATOM 0 HA ARG A 40 9.809 -2.831 2.109 1.00 23.40 H new ATOM 0 HB2 ARG A 40 9.717 -2.567 4.561 1.00 12.12 H new ATOM 0 HB3 ARG A 40 9.709 -4.307 4.768 1.00 12.12 H new ATOM 0 HG2 ARG A 40 11.950 -4.346 4.755 1.00 31.22 H new ATOM 0 HG3 ARG A 40 11.979 -3.649 3.147 1.00 31.22 H new ATOM 0 HD2 ARG A 40 13.164 -2.056 4.371 1.00 44.13 H new ATOM 0 HD3 ARG A 40 11.551 -1.371 4.366 1.00 44.13 H new ATOM 0 HE ARG A 40 11.763 -3.022 6.672 1.00 52.35 H new ATOM 0 HH11 ARG A 40 13.139 -0.066 5.323 1.00 43.42 H new ATOM 0 HH12 ARG A 40 13.462 0.645 6.908 1.00 43.42 H new ATOM 0 HH21 ARG A 40 12.182 -2.106 8.703 1.00 55.43 H new ATOM 0 HH22 ARG A 40 12.922 -0.506 8.815 1.00 55.43 H new ATOM 603 N MET A 41 9.517 -6.090 2.612 1.00 54.05 N ATOM 604 CA MET A 41 9.922 -7.394 2.101 1.00 2.12 C ATOM 605 C MET A 41 9.435 -7.591 0.669 1.00 23.52 C ATOM 606 O MET A 41 10.187 -8.040 -0.197 1.00 12.34 O ATOM 607 CB MET A 41 9.378 -8.509 2.996 1.00 43.24 C ATOM 608 CG MET A 41 10.051 -9.853 2.768 1.00 54.32 C ATOM 609 SD MET A 41 10.962 -10.427 4.215 1.00 41.11 S ATOM 610 CE MET A 41 12.219 -11.442 3.443 1.00 11.42 C ATOM 0 H MET A 41 8.847 -6.128 3.380 1.00 54.05 H new ATOM 0 HA MET A 41 11.011 -7.436 2.105 1.00 2.12 H new ATOM 0 HB2 MET A 41 9.505 -8.221 4.040 1.00 43.24 H new ATOM 0 HB3 MET A 41 8.307 -8.614 2.822 1.00 43.24 H new ATOM 0 HG2 MET A 41 9.296 -10.593 2.502 1.00 54.32 H new ATOM 0 HG3 MET A 41 10.733 -9.775 1.921 1.00 54.32 H new ATOM 0 HE1 MET A 41 12.864 -11.869 4.211 1.00 11.42 H new ATOM 0 HE2 MET A 41 11.743 -12.245 2.881 1.00 11.42 H new ATOM 0 HE3 MET A 41 12.816 -10.830 2.767 1.00 11.42 H new ATOM 620 N ALA A 42 8.173 -7.255 0.426 1.00 73.14 N ATOM 621 CA ALA A 42 7.587 -7.394 -0.902 1.00 13.31 C ATOM 622 C ALA A 42 8.334 -6.544 -1.923 1.00 62.34 C ATOM 623 O ALA A 42 8.482 -6.935 -3.080 1.00 71.41 O ATOM 624 CB ALA A 42 6.114 -7.013 -0.871 1.00 31.24 C ATOM 0 H ALA A 42 7.536 -6.884 1.131 1.00 73.14 H new ATOM 0 HA ALA A 42 7.675 -8.438 -1.204 1.00 13.31 H new ATOM 0 HB1 ALA A 42 5.689 -7.121 -1.869 1.00 31.24 H new ATOM 0 HB2 ALA A 42 5.584 -7.666 -0.178 1.00 31.24 H new ATOM 0 HB3 ALA A 42 6.013 -5.978 -0.544 1.00 31.24 H new ATOM 630 N ASN A 43 8.803 -5.379 -1.488 1.00 71.13 N ATOM 631 CA ASN A 43 9.534 -4.473 -2.366 1.00 44.33 C ATOM 632 C ASN A 43 10.873 -5.076 -2.776 1.00 70.31 C ATOM 633 O ASN A 43 11.145 -5.263 -3.963 1.00 72.10 O ATOM 634 CB ASN A 43 9.759 -3.128 -1.672 1.00 42.45 C ATOM 635 CG ASN A 43 8.668 -2.124 -1.992 1.00 55.52 C ATOM 636 OD1 ASN A 43 7.743 -2.415 -2.750 1.00 0.20 O ATOM 637 ND2 ASN A 43 8.771 -0.934 -1.411 1.00 53.20 N ATOM 0 H ASN A 43 8.690 -5.040 -0.533 1.00 71.13 H new ATOM 0 HA ASN A 43 8.936 -4.316 -3.264 1.00 44.33 H new ATOM 0 HB2 ASN A 43 9.803 -3.281 -0.594 1.00 42.45 H new ATOM 0 HB3 ASN A 43 10.724 -2.722 -1.976 1.00 42.45 H new ATOM 0 HD21 ASN A 43 8.066 -0.218 -1.586 1.00 53.20 H new ATOM 0 HD22 ASN A 43 9.555 -0.736 -0.789 1.00 53.20 H new ATOM 644 N VAL A 44 11.708 -5.380 -1.787 1.00 71.13 N ATOM 645 CA VAL A 44 13.018 -5.964 -2.044 1.00 64.12 C ATOM 646 C VAL A 44 12.892 -7.315 -2.739 1.00 73.14 C ATOM 647 O VAL A 44 13.724 -7.678 -3.569 1.00 32.24 O ATOM 648 CB VAL A 44 13.819 -6.142 -0.741 1.00 52.23 C ATOM 649 CG1 VAL A 44 15.209 -6.684 -1.037 1.00 5.34 C ATOM 650 CG2 VAL A 44 13.901 -4.826 0.019 1.00 61.30 C ATOM 0 H VAL A 44 11.499 -5.231 -0.800 1.00 71.13 H new ATOM 0 HA VAL A 44 13.550 -5.272 -2.697 1.00 64.12 H new ATOM 0 HB VAL A 44 13.300 -6.866 -0.113 1.00 52.23 H new ATOM 0 HG11 VAL A 44 15.760 -6.803 -0.104 1.00 5.34 H new ATOM 0 HG12 VAL A 44 15.124 -7.650 -1.534 1.00 5.34 H new ATOM 0 HG13 VAL A 44 15.741 -5.988 -1.686 1.00 5.34 H new ATOM 0 HG21 VAL A 44 14.471 -4.971 0.937 1.00 61.30 H new ATOM 0 HG22 VAL A 44 14.396 -4.078 -0.601 1.00 61.30 H new ATOM 0 HG23 VAL A 44 12.896 -4.485 0.266 1.00 61.30 H new ATOM 660 N SER A 45 11.843 -8.055 -2.394 1.00 35.11 N ATOM 661 CA SER A 45 11.608 -9.370 -2.981 1.00 42.31 C ATOM 662 C SER A 45 11.349 -9.255 -4.481 1.00 52.42 C ATOM 663 O SER A 45 11.600 -10.191 -5.239 1.00 62.40 O ATOM 664 CB SER A 45 10.422 -10.052 -2.298 1.00 33.12 C ATOM 665 OG SER A 45 10.768 -10.495 -0.998 1.00 32.55 O ATOM 0 H SER A 45 11.142 -7.767 -1.711 1.00 35.11 H new ATOM 0 HA SER A 45 12.502 -9.975 -2.829 1.00 42.31 H new ATOM 0 HB2 SER A 45 9.584 -9.357 -2.238 1.00 33.12 H new ATOM 0 HB3 SER A 45 10.091 -10.899 -2.898 1.00 33.12 H new ATOM 0 HG SER A 45 10.692 -9.749 -0.367 1.00 32.55 H new ATOM 671 N THR A 46 10.844 -8.099 -4.901 1.00 25.34 N ATOM 672 CA THR A 46 10.550 -7.861 -6.308 1.00 63.32 C ATOM 673 C THR A 46 11.690 -7.113 -6.990 1.00 62.11 C ATOM 674 O THR A 46 11.485 -6.429 -7.992 1.00 51.10 O ATOM 675 CB THR A 46 9.247 -7.057 -6.481 1.00 22.12 C ATOM 676 OG1 THR A 46 9.192 -6.000 -5.517 1.00 25.25 O ATOM 677 CG2 THR A 46 8.031 -7.956 -6.324 1.00 62.41 C ATOM 0 H THR A 46 10.630 -7.313 -4.286 1.00 25.34 H new ATOM 0 HA THR A 46 10.430 -8.838 -6.775 1.00 63.32 H new ATOM 0 HB THR A 46 9.239 -6.634 -7.485 1.00 22.12 H new ATOM 0 HG1 THR A 46 10.101 -5.700 -5.308 1.00 25.25 H new ATOM 0 HG21 THR A 46 7.123 -7.366 -6.450 1.00 62.41 H new ATOM 0 HG22 THR A 46 8.060 -8.743 -7.078 1.00 62.41 H new ATOM 0 HG23 THR A 46 8.036 -8.405 -5.331 1.00 62.41 H new ATOM 685 N GLY A 47 12.893 -7.248 -6.440 1.00 74.24 N ATOM 686 CA GLY A 47 14.048 -6.580 -7.009 1.00 21.13 C ATOM 687 C GLY A 47 13.829 -5.090 -7.179 1.00 5.35 C ATOM 688 O GLY A 47 14.443 -4.460 -8.041 1.00 63.14 O ATOM 0 H GLY A 47 13.088 -7.808 -5.610 1.00 74.24 H new ATOM 0 HA2 GLY A 47 14.913 -6.746 -6.367 1.00 21.13 H new ATOM 0 HA3 GLY A 47 14.280 -7.023 -7.978 1.00 21.13 H new ATOM 692 N ARG A 48 12.953 -4.524 -6.356 1.00 11.24 N ATOM 693 CA ARG A 48 12.654 -3.098 -6.420 1.00 22.53 C ATOM 694 C ARG A 48 13.433 -2.330 -5.356 1.00 43.03 C ATOM 695 O ARG A 48 13.628 -2.817 -4.244 1.00 75.21 O ATOM 696 CB ARG A 48 11.154 -2.861 -6.239 1.00 73.30 C ATOM 697 CG ARG A 48 10.376 -2.855 -7.545 1.00 20.11 C ATOM 698 CD ARG A 48 8.880 -2.737 -7.302 1.00 53.15 C ATOM 699 NE ARG A 48 8.254 -1.770 -8.200 1.00 74.15 N ATOM 700 CZ ARG A 48 8.052 -1.994 -9.494 1.00 42.40 C ATOM 701 NH1 ARG A 48 8.425 -3.144 -10.038 1.00 42.42 N ATOM 702 NH2 ARG A 48 7.476 -1.064 -10.246 1.00 21.30 N ATOM 0 H ARG A 48 12.437 -5.031 -5.637 1.00 11.24 H new ATOM 0 HA ARG A 48 12.957 -2.733 -7.401 1.00 22.53 H new ATOM 0 HB2 ARG A 48 10.748 -3.635 -5.588 1.00 73.30 H new ATOM 0 HB3 ARG A 48 11.004 -1.908 -5.732 1.00 73.30 H new ATOM 0 HG2 ARG A 48 10.711 -2.024 -8.166 1.00 20.11 H new ATOM 0 HG3 ARG A 48 10.585 -3.771 -8.098 1.00 20.11 H new ATOM 0 HD2 ARG A 48 8.413 -3.712 -7.437 1.00 53.15 H new ATOM 0 HD3 ARG A 48 8.703 -2.439 -6.268 1.00 53.15 H new ATOM 0 HE ARG A 48 7.956 -0.875 -7.813 1.00 74.15 H new ATOM 0 HH11 ARG A 48 8.869 -3.860 -9.463 1.00 42.42 H new ATOM 0 HH12 ARG A 48 8.268 -3.313 -11.032 1.00 42.42 H new ATOM 0 HH21 ARG A 48 7.189 -0.178 -9.830 1.00 21.30 H new ATOM 0 HH22 ARG A 48 7.321 -1.235 -11.239 1.00 21.30 H new ATOM 716 N GLU A 49 13.875 -1.127 -5.707 1.00 24.11 N ATOM 717 CA GLU A 49 14.634 -0.293 -4.783 1.00 64.23 C ATOM 718 C GLU A 49 13.899 -0.146 -3.454 1.00 44.24 C ATOM 719 O GLU A 49 12.692 -0.369 -3.356 1.00 41.21 O ATOM 720 CB GLU A 49 14.886 1.087 -5.395 1.00 44.43 C ATOM 721 CG GLU A 49 16.177 1.173 -6.192 1.00 40.30 C ATOM 722 CD GLU A 49 17.075 2.301 -5.727 1.00 10.55 C ATOM 723 OE1 GLU A 49 18.286 2.056 -5.540 1.00 3.55 O ATOM 724 OE2 GLU A 49 16.570 3.429 -5.548 1.00 41.52 O ATOM 0 H GLU A 49 13.721 -0.708 -6.624 1.00 24.11 H new ATOM 0 HA GLU A 49 15.591 -0.780 -4.597 1.00 64.23 H new ATOM 0 HB2 GLU A 49 14.050 1.345 -6.045 1.00 44.43 H new ATOM 0 HB3 GLU A 49 14.911 1.830 -4.598 1.00 44.43 H new ATOM 0 HG2 GLU A 49 16.714 0.228 -6.109 1.00 40.30 H new ATOM 0 HG3 GLU A 49 15.940 1.314 -7.247 1.00 40.30 H new ATOM 731 N PRO A 50 14.641 0.239 -2.406 1.00 25.23 N ATOM 732 CA PRO A 50 14.082 0.425 -1.065 1.00 1.42 C ATOM 733 C PRO A 50 13.163 1.640 -0.983 1.00 33.43 C ATOM 734 O PRO A 50 12.254 1.688 -0.155 1.00 14.31 O ATOM 735 CB PRO A 50 15.320 0.632 -0.189 1.00 43.53 C ATOM 736 CG PRO A 50 16.356 1.164 -1.118 1.00 13.21 C ATOM 737 CD PRO A 50 16.086 0.523 -2.451 1.00 73.54 C ATOM 0 HA PRO A 50 13.464 -0.420 -0.761 1.00 1.42 H new ATOM 0 HB2 PRO A 50 15.119 1.332 0.622 1.00 43.53 H new ATOM 0 HB3 PRO A 50 15.642 -0.303 0.269 1.00 43.53 H new ATOM 0 HG2 PRO A 50 16.296 2.250 -1.188 1.00 13.21 H new ATOM 0 HG3 PRO A 50 17.358 0.922 -0.765 1.00 13.21 H new ATOM 0 HD2 PRO A 50 16.339 1.189 -3.276 1.00 73.54 H new ATOM 0 HD3 PRO A 50 16.671 -0.387 -2.585 1.00 73.54 H new ATOM 745 N GLY A 51 13.405 2.618 -1.849 1.00 45.52 N ATOM 746 CA GLY A 51 12.591 3.820 -1.857 1.00 72.24 C ATOM 747 C GLY A 51 11.362 3.681 -2.734 1.00 20.43 C ATOM 748 O GLY A 51 11.084 4.543 -3.567 1.00 24.14 O ATOM 0 H GLY A 51 14.150 2.600 -2.545 1.00 45.52 H new ATOM 0 HA2 GLY A 51 12.282 4.053 -0.838 1.00 72.24 H new ATOM 0 HA3 GLY A 51 13.191 4.659 -2.208 1.00 72.24 H new ATOM 752 N ASP A 52 10.625 2.590 -2.549 1.00 2.34 N ATOM 753 CA ASP A 52 9.420 2.340 -3.331 1.00 72.32 C ATOM 754 C ASP A 52 8.170 2.669 -2.521 1.00 72.11 C ATOM 755 O ASP A 52 7.778 1.913 -1.631 1.00 11.45 O ATOM 756 CB ASP A 52 9.377 0.882 -3.789 1.00 73.44 C ATOM 757 CG ASP A 52 9.707 0.726 -5.260 1.00 2.23 C ATOM 758 OD1 ASP A 52 10.901 0.555 -5.586 1.00 50.50 O ATOM 759 OD2 ASP A 52 8.773 0.776 -6.087 1.00 54.34 O ATOM 0 H ASP A 52 10.841 1.865 -1.864 1.00 2.34 H new ATOM 0 HA ASP A 52 9.444 2.987 -4.208 1.00 72.32 H new ATOM 0 HB2 ASP A 52 10.082 0.298 -3.198 1.00 73.44 H new ATOM 0 HB3 ASP A 52 8.385 0.473 -3.597 1.00 73.44 H new ATOM 764 N ILE A 53 7.548 3.801 -2.835 1.00 64.42 N ATOM 765 CA ILE A 53 6.343 4.229 -2.137 1.00 30.51 C ATOM 766 C ILE A 53 5.135 4.218 -3.068 1.00 20.34 C ATOM 767 O ILE A 53 4.644 5.261 -3.501 1.00 23.24 O ATOM 768 CB ILE A 53 6.507 5.641 -1.544 1.00 34.42 C ATOM 769 CG1 ILE A 53 7.768 5.712 -0.680 1.00 61.11 C ATOM 770 CG2 ILE A 53 5.279 6.020 -0.729 1.00 64.45 C ATOM 771 CD1 ILE A 53 8.769 6.743 -1.155 1.00 70.43 C ATOM 0 H ILE A 53 7.859 4.438 -3.568 1.00 64.42 H new ATOM 0 HA ILE A 53 6.180 3.520 -1.326 1.00 30.51 H new ATOM 0 HB ILE A 53 6.609 6.353 -2.363 1.00 34.42 H new ATOM 0 HG12 ILE A 53 7.483 5.941 0.347 1.00 61.11 H new ATOM 0 HG13 ILE A 53 8.246 4.732 -0.668 1.00 61.11 H new ATOM 0 HG21 ILE A 53 5.410 7.020 -0.317 1.00 64.45 H new ATOM 0 HG22 ILE A 53 4.398 6.005 -1.370 1.00 64.45 H new ATOM 0 HG23 ILE A 53 5.148 5.307 0.085 1.00 64.45 H new ATOM 0 HD11 ILE A 53 9.637 6.738 -0.496 1.00 70.43 H new ATOM 0 HD12 ILE A 53 9.083 6.504 -2.171 1.00 70.43 H new ATOM 0 HD13 ILE A 53 8.308 7.731 -1.141 1.00 70.43 H new ATOM 783 N PRO A 54 4.642 3.012 -3.383 1.00 75.22 N ATOM 784 CA PRO A 54 3.483 2.835 -4.263 1.00 24.42 C ATOM 785 C PRO A 54 2.185 3.306 -3.616 1.00 31.43 C ATOM 786 O PRO A 54 1.650 2.644 -2.727 1.00 33.02 O ATOM 787 CB PRO A 54 3.445 1.324 -4.502 1.00 20.51 C ATOM 788 CG PRO A 54 4.121 0.736 -3.311 1.00 63.23 C ATOM 789 CD PRO A 54 5.176 1.726 -2.903 1.00 13.32 C ATOM 0 HA PRO A 54 3.573 3.422 -5.177 1.00 24.42 H new ATOM 0 HB2 PRO A 54 2.421 0.963 -4.594 1.00 20.51 H new ATOM 0 HB3 PRO A 54 3.962 1.056 -5.423 1.00 20.51 H new ATOM 0 HG2 PRO A 54 3.410 0.568 -2.502 1.00 63.23 H new ATOM 0 HG3 PRO A 54 4.565 -0.230 -3.551 1.00 63.23 H new ATOM 0 HD2 PRO A 54 5.326 1.731 -1.823 1.00 13.32 H new ATOM 0 HD3 PRO A 54 6.140 1.496 -3.358 1.00 13.32 H new ATOM 797 N GLU A 55 1.685 4.451 -4.067 1.00 71.42 N ATOM 798 CA GLU A 55 0.449 5.008 -3.529 1.00 63.34 C ATOM 799 C GLU A 55 -0.689 4.881 -4.538 1.00 3.03 C ATOM 800 O GLU A 55 -1.393 5.851 -4.824 1.00 63.25 O ATOM 801 CB GLU A 55 0.649 6.477 -3.152 1.00 44.53 C ATOM 802 CG GLU A 55 1.947 6.744 -2.410 1.00 44.10 C ATOM 803 CD GLU A 55 2.962 7.485 -3.259 1.00 2.42 C ATOM 804 OE1 GLU A 55 3.003 7.240 -4.483 1.00 63.11 O ATOM 805 OE2 GLU A 55 3.715 8.310 -2.700 1.00 23.42 O ATOM 0 H GLU A 55 2.116 5.011 -4.803 1.00 71.42 H new ATOM 0 HA GLU A 55 0.184 4.443 -2.635 1.00 63.34 H new ATOM 0 HB2 GLU A 55 0.628 7.082 -4.058 1.00 44.53 H new ATOM 0 HB3 GLU A 55 -0.187 6.801 -2.532 1.00 44.53 H new ATOM 0 HG2 GLU A 55 1.735 7.326 -1.513 1.00 44.10 H new ATOM 0 HG3 GLU A 55 2.375 5.797 -2.082 1.00 44.10 H new ATOM 812 N THR A 56 -0.864 3.678 -5.076 1.00 31.22 N ATOM 813 CA THR A 56 -1.914 3.424 -6.054 1.00 73.15 C ATOM 814 C THR A 56 -2.441 1.998 -5.935 1.00 64.23 C ATOM 815 O THR A 56 -1.667 1.043 -5.850 1.00 44.33 O ATOM 816 CB THR A 56 -1.412 3.655 -7.492 1.00 72.21 C ATOM 817 OG1 THR A 56 -0.452 2.652 -7.843 1.00 70.32 O ATOM 818 CG2 THR A 56 -0.785 5.034 -7.630 1.00 23.22 C ATOM 0 H THR A 56 -0.292 2.864 -4.851 1.00 31.22 H new ATOM 0 HA THR A 56 -2.720 4.127 -5.842 1.00 73.15 H new ATOM 0 HB THR A 56 -2.266 3.592 -8.166 1.00 72.21 H new ATOM 0 HG1 THR A 56 -0.674 2.280 -8.722 1.00 70.32 H new ATOM 0 HG21 THR A 56 -0.438 5.175 -8.654 1.00 23.22 H new ATOM 0 HG22 THR A 56 -1.526 5.796 -7.390 1.00 23.22 H new ATOM 0 HG23 THR A 56 0.059 5.120 -6.945 1.00 23.22 H new ATOM 826 N LEU A 57 -3.763 1.859 -5.932 1.00 64.02 N ATOM 827 CA LEU A 57 -4.394 0.548 -5.826 1.00 51.42 C ATOM 828 C LEU A 57 -3.830 -0.414 -6.866 1.00 15.23 C ATOM 829 O LEU A 57 -3.752 -1.620 -6.632 1.00 75.34 O ATOM 830 CB LEU A 57 -5.908 0.674 -5.998 1.00 41.35 C ATOM 831 CG LEU A 57 -6.744 -0.489 -5.463 1.00 44.44 C ATOM 832 CD1 LEU A 57 -6.483 -0.696 -3.980 1.00 11.50 C ATOM 833 CD2 LEU A 57 -8.225 -0.243 -5.716 1.00 4.32 C ATOM 0 H LEU A 57 -4.418 2.638 -6.002 1.00 64.02 H new ATOM 0 HA LEU A 57 -4.179 0.148 -4.835 1.00 51.42 H new ATOM 0 HB2 LEU A 57 -6.235 1.588 -5.502 1.00 41.35 H new ATOM 0 HB3 LEU A 57 -6.124 0.792 -7.060 1.00 41.35 H new ATOM 0 HG LEU A 57 -6.451 -1.395 -5.993 1.00 44.44 H new ATOM 0 HD11 LEU A 57 -7.087 -1.528 -3.617 1.00 11.50 H new ATOM 0 HD12 LEU A 57 -5.427 -0.918 -3.824 1.00 11.50 H new ATOM 0 HD13 LEU A 57 -6.747 0.210 -3.434 1.00 11.50 H new ATOM 0 HD21 LEU A 57 -8.804 -1.081 -5.329 1.00 4.32 H new ATOM 0 HD22 LEU A 57 -8.533 0.674 -5.213 1.00 4.32 H new ATOM 0 HD23 LEU A 57 -8.400 -0.146 -6.787 1.00 4.32 H new ATOM 845 N ASP A 58 -3.436 0.128 -8.012 1.00 61.44 N ATOM 846 CA ASP A 58 -2.876 -0.682 -9.088 1.00 30.40 C ATOM 847 C ASP A 58 -1.507 -1.232 -8.698 1.00 72.15 C ATOM 848 O ASP A 58 -1.193 -2.391 -8.971 1.00 12.52 O ATOM 849 CB ASP A 58 -2.762 0.142 -10.371 1.00 5.32 C ATOM 850 CG ASP A 58 -3.047 -0.677 -11.614 1.00 11.23 C ATOM 851 OD1 ASP A 58 -4.183 -0.602 -12.127 1.00 43.45 O ATOM 852 OD2 ASP A 58 -2.133 -1.393 -12.075 1.00 42.40 O ATOM 0 H ASP A 58 -3.494 1.125 -8.221 1.00 61.44 H new ATOM 0 HA ASP A 58 -3.548 -1.522 -9.264 1.00 30.40 H new ATOM 0 HB2 ASP A 58 -3.458 0.979 -10.324 1.00 5.32 H new ATOM 0 HB3 ASP A 58 -1.759 0.564 -10.440 1.00 5.32 H new ATOM 857 N GLN A 59 -0.698 -0.393 -8.060 1.00 42.04 N ATOM 858 CA GLN A 59 0.638 -0.794 -7.635 1.00 61.03 C ATOM 859 C GLN A 59 0.567 -1.930 -6.620 1.00 60.32 C ATOM 860 O GLN A 59 1.345 -2.883 -6.683 1.00 63.12 O ATOM 861 CB GLN A 59 1.385 0.397 -7.034 1.00 52.54 C ATOM 862 CG GLN A 59 2.146 1.220 -8.061 1.00 52.23 C ATOM 863 CD GLN A 59 2.846 2.417 -7.448 1.00 14.05 C ATOM 864 OE1 GLN A 59 4.066 2.419 -7.285 1.00 12.25 O ATOM 865 NE2 GLN A 59 2.075 3.442 -7.104 1.00 30.13 N ATOM 0 H GLN A 59 -0.944 0.569 -7.826 1.00 42.04 H new ATOM 0 HA GLN A 59 1.180 -1.147 -8.512 1.00 61.03 H new ATOM 0 HB2 GLN A 59 0.671 1.042 -6.521 1.00 52.54 H new ATOM 0 HB3 GLN A 59 2.085 0.034 -6.281 1.00 52.54 H new ATOM 0 HG2 GLN A 59 2.883 0.587 -8.554 1.00 52.23 H new ATOM 0 HG3 GLN A 59 1.454 1.563 -8.830 1.00 52.23 H new ATOM 0 HE21 GLN A 59 1.068 3.397 -7.258 1.00 30.13 H new ATOM 0 HE22 GLN A 59 2.490 4.275 -6.686 1.00 30.13 H new ATOM 874 N LEU A 60 -0.370 -1.823 -5.684 1.00 0.11 N ATOM 875 CA LEU A 60 -0.542 -2.841 -4.654 1.00 43.25 C ATOM 876 C LEU A 60 -0.913 -4.185 -5.273 1.00 43.44 C ATOM 877 O LEU A 60 -0.290 -5.206 -4.985 1.00 34.14 O ATOM 878 CB LEU A 60 -1.621 -2.410 -3.658 1.00 33.40 C ATOM 879 CG LEU A 60 -1.197 -1.374 -2.616 1.00 73.40 C ATOM 880 CD1 LEU A 60 -2.227 -0.260 -2.522 1.00 63.33 C ATOM 881 CD2 LEU A 60 -0.996 -2.034 -1.260 1.00 44.23 C ATOM 0 H LEU A 60 -1.022 -1.041 -5.617 1.00 0.11 H new ATOM 0 HA LEU A 60 0.406 -2.954 -4.128 1.00 43.25 H new ATOM 0 HB2 LEU A 60 -2.465 -2.008 -4.219 1.00 33.40 H new ATOM 0 HB3 LEU A 60 -1.979 -3.297 -3.135 1.00 33.40 H new ATOM 0 HG LEU A 60 -0.249 -0.938 -2.929 1.00 73.40 H new ATOM 0 HD11 LEU A 60 -1.909 0.468 -1.776 1.00 63.33 H new ATOM 0 HD12 LEU A 60 -2.321 0.231 -3.491 1.00 63.33 H new ATOM 0 HD13 LEU A 60 -3.191 -0.679 -2.232 1.00 63.33 H new ATOM 0 HD21 LEU A 60 -0.695 -1.282 -0.531 1.00 44.23 H new ATOM 0 HD22 LEU A 60 -1.929 -2.497 -0.939 1.00 44.23 H new ATOM 0 HD23 LEU A 60 -0.220 -2.796 -1.338 1.00 44.23 H new ATOM 893 N ARG A 61 -1.932 -4.176 -6.128 1.00 1.03 N ATOM 894 CA ARG A 61 -2.384 -5.393 -6.789 1.00 74.45 C ATOM 895 C ARG A 61 -1.247 -6.043 -7.570 1.00 30.33 C ATOM 896 O ARG A 61 -1.164 -7.269 -7.663 1.00 41.32 O ATOM 897 CB ARG A 61 -3.552 -5.085 -7.729 1.00 1.43 C ATOM 898 CG ARG A 61 -3.936 -6.250 -8.626 1.00 42.43 C ATOM 899 CD ARG A 61 -3.248 -6.160 -9.979 1.00 33.53 C ATOM 900 NE ARG A 61 -3.980 -5.307 -10.911 1.00 53.13 N ATOM 901 CZ ARG A 61 -5.039 -5.712 -11.603 1.00 32.12 C ATOM 902 NH1 ARG A 61 -5.487 -6.953 -11.468 1.00 70.43 N ATOM 903 NH2 ARG A 61 -5.653 -4.877 -12.431 1.00 0.43 N ATOM 0 H ARG A 61 -2.459 -3.339 -6.378 1.00 1.03 H new ATOM 0 HA ARG A 61 -2.718 -6.090 -6.021 1.00 74.45 H new ATOM 0 HB2 ARG A 61 -4.418 -4.794 -7.135 1.00 1.43 H new ATOM 0 HB3 ARG A 61 -3.290 -4.229 -8.351 1.00 1.43 H new ATOM 0 HG2 ARG A 61 -3.667 -7.188 -8.141 1.00 42.43 H new ATOM 0 HG3 ARG A 61 -5.017 -6.262 -8.766 1.00 42.43 H new ATOM 0 HD2 ARG A 61 -2.239 -5.770 -9.847 1.00 33.53 H new ATOM 0 HD3 ARG A 61 -3.150 -7.159 -10.403 1.00 33.53 H new ATOM 0 HE ARG A 61 -3.660 -4.347 -11.038 1.00 53.13 H new ATOM 0 HH11 ARG A 61 -5.018 -7.598 -10.832 1.00 70.43 H new ATOM 0 HH12 ARG A 61 -6.300 -7.262 -12.000 1.00 70.43 H new ATOM 0 HH21 ARG A 61 -5.312 -3.922 -12.537 1.00 0.43 H new ATOM 0 HH22 ARG A 61 -6.466 -5.190 -12.961 1.00 0.43 H new ATOM 917 N LEU A 62 -0.373 -5.216 -8.131 1.00 42.45 N ATOM 918 CA LEU A 62 0.760 -5.710 -8.906 1.00 5.54 C ATOM 919 C LEU A 62 1.823 -6.312 -7.992 1.00 24.20 C ATOM 920 O LEU A 62 2.245 -7.453 -8.182 1.00 42.42 O ATOM 921 CB LEU A 62 1.368 -4.578 -9.737 1.00 52.22 C ATOM 922 CG LEU A 62 1.192 -4.688 -11.252 1.00 11.34 C ATOM 923 CD1 LEU A 62 1.868 -5.945 -11.777 1.00 14.42 C ATOM 924 CD2 LEU A 62 -0.284 -4.680 -11.619 1.00 71.44 C ATOM 0 H LEU A 62 -0.427 -4.200 -8.064 1.00 42.45 H new ATOM 0 HA LEU A 62 0.398 -6.490 -9.576 1.00 5.54 H new ATOM 0 HB2 LEU A 62 0.929 -3.636 -9.408 1.00 52.22 H new ATOM 0 HB3 LEU A 62 2.435 -4.526 -9.518 1.00 52.22 H new ATOM 0 HG LEU A 62 1.666 -3.824 -11.718 1.00 11.34 H new ATOM 0 HD11 LEU A 62 1.733 -6.007 -12.857 1.00 14.42 H new ATOM 0 HD12 LEU A 62 2.933 -5.909 -11.546 1.00 14.42 H new ATOM 0 HD13 LEU A 62 1.424 -6.821 -11.305 1.00 14.42 H new ATOM 0 HD21 LEU A 62 -0.390 -4.759 -12.701 1.00 71.44 H new ATOM 0 HD22 LEU A 62 -0.782 -5.525 -11.143 1.00 71.44 H new ATOM 0 HD23 LEU A 62 -0.739 -3.751 -11.277 1.00 71.44 H new ATOM 936 N VAL A 63 2.250 -5.539 -6.999 1.00 63.11 N ATOM 937 CA VAL A 63 3.261 -5.997 -6.054 1.00 54.53 C ATOM 938 C VAL A 63 2.884 -7.349 -5.459 1.00 11.31 C ATOM 939 O VAL A 63 3.753 -8.151 -5.117 1.00 20.43 O ATOM 940 CB VAL A 63 3.461 -4.984 -4.911 1.00 43.44 C ATOM 941 CG1 VAL A 63 4.494 -5.494 -3.918 1.00 72.42 C ATOM 942 CG2 VAL A 63 3.869 -3.628 -5.467 1.00 1.31 C ATOM 0 H VAL A 63 1.911 -4.592 -6.828 1.00 63.11 H new ATOM 0 HA VAL A 63 4.193 -6.095 -6.610 1.00 54.53 H new ATOM 0 HB VAL A 63 2.514 -4.866 -4.384 1.00 43.44 H new ATOM 0 HG11 VAL A 63 4.621 -4.764 -3.118 1.00 72.42 H new ATOM 0 HG12 VAL A 63 4.156 -6.440 -3.496 1.00 72.42 H new ATOM 0 HG13 VAL A 63 5.446 -5.643 -4.428 1.00 72.42 H new ATOM 0 HG21 VAL A 63 4.006 -2.924 -4.646 1.00 1.31 H new ATOM 0 HG22 VAL A 63 4.803 -3.727 -6.019 1.00 1.31 H new ATOM 0 HG23 VAL A 63 3.090 -3.259 -6.135 1.00 1.31 H new ATOM 952 N ILE A 64 1.583 -7.594 -5.339 1.00 20.54 N ATOM 953 CA ILE A 64 1.092 -8.850 -4.787 1.00 74.22 C ATOM 954 C ILE A 64 1.266 -9.994 -5.781 1.00 41.04 C ATOM 955 O ILE A 64 1.936 -10.986 -5.492 1.00 54.33 O ATOM 956 CB ILE A 64 -0.393 -8.749 -4.393 1.00 72.14 C ATOM 957 CG1 ILE A 64 -0.592 -7.653 -3.344 1.00 35.12 C ATOM 958 CG2 ILE A 64 -0.895 -10.087 -3.871 1.00 71.14 C ATOM 959 CD1 ILE A 64 -1.949 -6.990 -3.413 1.00 4.33 C ATOM 0 H ILE A 64 0.851 -6.940 -5.616 1.00 20.54 H new ATOM 0 HA ILE A 64 1.684 -9.055 -3.895 1.00 74.22 H new ATOM 0 HB ILE A 64 -0.971 -8.487 -5.279 1.00 72.14 H new ATOM 0 HG12 ILE A 64 -0.457 -8.083 -2.351 1.00 35.12 H new ATOM 0 HG13 ILE A 64 0.181 -6.895 -3.471 1.00 35.12 H new ATOM 0 HG21 ILE A 64 -1.946 -9.999 -3.597 1.00 71.14 H new ATOM 0 HG22 ILE A 64 -0.784 -10.845 -4.647 1.00 71.14 H new ATOM 0 HG23 ILE A 64 -0.314 -10.377 -2.995 1.00 71.14 H new ATOM 0 HD11 ILE A 64 -2.019 -6.224 -2.641 1.00 4.33 H new ATOM 0 HD12 ILE A 64 -2.080 -6.531 -4.393 1.00 4.33 H new ATOM 0 HD13 ILE A 64 -2.727 -7.737 -3.255 1.00 4.33 H new ATOM 971 N CYS A 65 0.661 -9.846 -6.955 1.00 32.33 N ATOM 972 CA CYS A 65 0.750 -10.866 -7.994 1.00 74.33 C ATOM 973 C CYS A 65 2.204 -11.156 -8.349 1.00 3.14 C ATOM 974 O CYS A 65 2.532 -12.241 -8.828 1.00 31.04 O ATOM 975 CB CYS A 65 -0.014 -10.420 -9.242 1.00 25.24 C ATOM 976 SG CYS A 65 -0.411 -11.764 -10.384 1.00 72.44 S ATOM 0 H CYS A 65 0.104 -9.030 -7.211 1.00 32.33 H new ATOM 0 HA CYS A 65 0.300 -11.781 -7.609 1.00 74.33 H new ATOM 0 HB2 CYS A 65 -0.940 -9.934 -8.934 1.00 25.24 H new ATOM 0 HB3 CYS A 65 0.578 -9.672 -9.770 1.00 25.24 H new ATOM 0 HG CYS A 65 -1.058 -11.288 -11.406 1.00 72.44 H new ATOM 982 N ASP A 66 3.072 -10.178 -8.112 1.00 53.41 N ATOM 983 CA ASP A 66 4.492 -10.328 -8.407 1.00 2.52 C ATOM 984 C ASP A 66 5.174 -11.211 -7.366 1.00 53.22 C ATOM 985 O ASP A 66 5.628 -12.314 -7.673 1.00 62.52 O ATOM 986 CB ASP A 66 5.171 -8.958 -8.454 1.00 1.14 C ATOM 987 CG ASP A 66 4.658 -8.096 -9.590 1.00 71.15 C ATOM 988 OD1 ASP A 66 3.636 -8.470 -10.204 1.00 23.42 O ATOM 989 OD2 ASP A 66 5.275 -7.046 -9.864 1.00 71.33 O ATOM 0 H ASP A 66 2.817 -9.273 -7.716 1.00 53.41 H new ATOM 0 HA ASP A 66 4.587 -10.807 -9.381 1.00 2.52 H new ATOM 0 HB2 ASP A 66 5.007 -8.442 -7.508 1.00 1.14 H new ATOM 0 HB3 ASP A 66 6.247 -9.093 -8.562 1.00 1.14 H new ATOM 994 N LEU A 67 5.242 -10.720 -6.133 1.00 60.51 N ATOM 995 CA LEU A 67 5.868 -11.465 -5.047 1.00 1.12 C ATOM 996 C LEU A 67 5.202 -12.824 -4.864 1.00 15.53 C ATOM 997 O LEU A 67 5.862 -13.807 -4.526 1.00 74.10 O ATOM 998 CB LEU A 67 5.791 -10.665 -3.745 1.00 34.32 C ATOM 999 CG LEU A 67 6.135 -11.432 -2.466 1.00 64.14 C ATOM 1000 CD1 LEU A 67 7.532 -12.023 -2.558 1.00 12.32 C ATOM 1001 CD2 LEU A 67 6.016 -10.523 -1.252 1.00 21.15 C ATOM 0 H LEU A 67 4.871 -9.809 -5.861 1.00 60.51 H new ATOM 0 HA LEU A 67 6.914 -11.627 -5.305 1.00 1.12 H new ATOM 0 HB2 LEU A 67 6.464 -9.812 -3.826 1.00 34.32 H new ATOM 0 HB3 LEU A 67 4.781 -10.266 -3.646 1.00 34.32 H new ATOM 0 HG LEU A 67 5.424 -12.251 -2.353 1.00 64.14 H new ATOM 0 HD11 LEU A 67 7.759 -12.565 -1.640 1.00 12.32 H new ATOM 0 HD12 LEU A 67 7.583 -12.707 -3.405 1.00 12.32 H new ATOM 0 HD13 LEU A 67 8.258 -11.221 -2.695 1.00 12.32 H new ATOM 0 HD21 LEU A 67 6.264 -11.085 -0.351 1.00 21.15 H new ATOM 0 HD22 LEU A 67 6.703 -9.684 -1.357 1.00 21.15 H new ATOM 0 HD23 LEU A 67 4.995 -10.149 -1.176 1.00 21.15 H new ATOM 1013 N GLN A 68 3.894 -12.872 -5.090 1.00 43.11 N ATOM 1014 CA GLN A 68 3.140 -14.112 -4.951 1.00 21.11 C ATOM 1015 C GLN A 68 3.497 -15.094 -6.063 1.00 74.00 C ATOM 1016 O GLN A 68 3.645 -16.292 -5.820 1.00 42.15 O ATOM 1017 CB GLN A 68 1.638 -13.825 -4.971 1.00 72.53 C ATOM 1018 CG GLN A 68 0.792 -14.977 -4.454 1.00 54.44 C ATOM 1019 CD GLN A 68 -0.695 -14.739 -4.638 1.00 24.40 C ATOM 1020 OE1 GLN A 68 -1.114 -14.062 -5.579 1.00 32.42 O ATOM 1021 NE2 GLN A 68 -1.500 -15.296 -3.742 1.00 10.13 N ATOM 0 H GLN A 68 3.334 -12.067 -5.370 1.00 43.11 H new ATOM 0 HA GLN A 68 3.404 -14.563 -3.994 1.00 21.11 H new ATOM 0 HB2 GLN A 68 1.438 -12.939 -4.368 1.00 72.53 H new ATOM 0 HB3 GLN A 68 1.335 -13.592 -5.992 1.00 72.53 H new ATOM 0 HG2 GLN A 68 1.076 -15.893 -4.973 1.00 54.44 H new ATOM 0 HG3 GLN A 68 1.003 -15.131 -3.396 1.00 54.44 H new ATOM 0 HE21 GLN A 68 -1.109 -15.849 -2.979 1.00 10.13 H new ATOM 0 HE22 GLN A 68 -2.510 -15.171 -3.816 1.00 10.13 H new ATOM 1030 N GLU A 69 3.634 -14.578 -7.280 1.00 52.35 N ATOM 1031 CA GLU A 69 3.973 -15.411 -8.428 1.00 54.42 C ATOM 1032 C GLU A 69 5.307 -16.118 -8.211 1.00 64.50 C ATOM 1033 O GLU A 69 5.455 -17.299 -8.531 1.00 43.41 O ATOM 1034 CB GLU A 69 4.031 -14.564 -9.701 1.00 4.15 C ATOM 1035 CG GLU A 69 4.575 -15.313 -10.906 1.00 31.32 C ATOM 1036 CD GLU A 69 3.796 -15.021 -12.174 1.00 13.11 C ATOM 1037 OE1 GLU A 69 4.013 -13.944 -12.768 1.00 72.42 O ATOM 1038 OE2 GLU A 69 2.970 -15.869 -12.571 1.00 60.22 O ATOM 0 H GLU A 69 3.516 -13.588 -7.497 1.00 52.35 H new ATOM 0 HA GLU A 69 3.196 -16.167 -8.539 1.00 54.42 H new ATOM 0 HB2 GLU A 69 3.030 -14.201 -9.931 1.00 4.15 H new ATOM 0 HB3 GLU A 69 4.653 -13.688 -9.517 1.00 4.15 H new ATOM 0 HG2 GLU A 69 5.620 -15.043 -11.056 1.00 31.32 H new ATOM 0 HG3 GLU A 69 4.548 -16.384 -10.706 1.00 31.32 H new ATOM 1045 N ARG A 70 6.276 -15.388 -7.669 1.00 73.13 N ATOM 1046 CA ARG A 70 7.599 -15.944 -7.412 1.00 33.52 C ATOM 1047 C ARG A 70 7.532 -17.038 -6.349 1.00 24.01 C ATOM 1048 O ARG A 70 7.901 -18.186 -6.600 1.00 42.34 O ATOM 1049 CB ARG A 70 8.561 -14.842 -6.965 1.00 13.10 C ATOM 1050 CG ARG A 70 9.385 -14.256 -8.100 1.00 70.13 C ATOM 1051 CD ARG A 70 10.696 -13.676 -7.595 1.00 52.51 C ATOM 1052 NE ARG A 70 11.849 -14.439 -8.064 1.00 31.12 N ATOM 1053 CZ ARG A 70 13.107 -14.037 -7.914 1.00 41.42 C ATOM 1054 NH1 ARG A 70 13.371 -12.886 -7.311 1.00 75.30 N ATOM 1055 NH2 ARG A 70 14.103 -14.787 -8.368 1.00 2.01 N ATOM 0 H ARG A 70 6.170 -14.410 -7.399 1.00 73.13 H new ATOM 0 HA ARG A 70 7.967 -16.384 -8.339 1.00 33.52 H new ATOM 0 HB2 ARG A 70 7.990 -14.043 -6.492 1.00 13.10 H new ATOM 0 HB3 ARG A 70 9.235 -15.244 -6.208 1.00 13.10 H new ATOM 0 HG2 ARG A 70 9.589 -15.030 -8.840 1.00 70.13 H new ATOM 0 HG3 ARG A 70 8.811 -13.478 -8.603 1.00 70.13 H new ATOM 0 HD2 ARG A 70 10.786 -12.642 -7.927 1.00 52.51 H new ATOM 0 HD3 ARG A 70 10.690 -13.662 -6.505 1.00 52.51 H new ATOM 0 HE ARG A 70 11.680 -15.329 -8.532 1.00 31.12 H new ATOM 0 HH11 ARG A 70 12.608 -12.307 -6.961 1.00 75.30 H new ATOM 0 HH12 ARG A 70 14.337 -12.580 -7.197 1.00 75.30 H new ATOM 0 HH21 ARG A 70 13.904 -15.673 -8.833 1.00 2.01 H new ATOM 0 HH22 ARG A 70 15.068 -14.478 -8.252 1.00 2.01 H new ATOM 1069 N ARG A 71 7.060 -16.673 -5.161 1.00 1.41 N ATOM 1070 CA ARG A 71 6.947 -17.621 -4.060 1.00 33.01 C ATOM 1071 C ARG A 71 6.044 -18.792 -4.441 1.00 12.24 C ATOM 1072 O ARG A 71 6.162 -19.884 -3.886 1.00 54.32 O ATOM 1073 CB ARG A 71 6.398 -16.926 -2.813 1.00 44.43 C ATOM 1074 CG ARG A 71 6.181 -17.864 -1.637 1.00 3.10 C ATOM 1075 CD ARG A 71 7.429 -18.679 -1.338 1.00 2.11 C ATOM 1076 NE ARG A 71 8.634 -17.853 -1.331 1.00 34.14 N ATOM 1077 CZ ARG A 71 9.863 -18.347 -1.217 1.00 63.35 C ATOM 1078 NH1 ARG A 71 10.047 -19.655 -1.102 1.00 72.23 N ATOM 1079 NH2 ARG A 71 10.909 -17.531 -1.218 1.00 24.31 N ATOM 0 H ARG A 71 6.750 -15.727 -4.937 1.00 1.41 H new ATOM 0 HA ARG A 71 7.943 -18.007 -3.843 1.00 33.01 H new ATOM 0 HB2 ARG A 71 7.088 -16.137 -2.514 1.00 44.43 H new ATOM 0 HB3 ARG A 71 5.452 -16.445 -3.062 1.00 44.43 H new ATOM 0 HG2 ARG A 71 5.903 -17.286 -0.756 1.00 3.10 H new ATOM 0 HG3 ARG A 71 5.350 -18.535 -1.854 1.00 3.10 H new ATOM 0 HD2 ARG A 71 7.319 -19.168 -0.370 1.00 2.11 H new ATOM 0 HD3 ARG A 71 7.534 -19.467 -2.083 1.00 2.11 H new ATOM 0 HE ARG A 71 8.527 -16.842 -1.418 1.00 34.14 H new ATOM 0 HH11 ARG A 71 9.245 -20.285 -1.101 1.00 72.23 H new ATOM 0 HH12 ARG A 71 10.991 -20.031 -1.015 1.00 72.23 H new ATOM 0 HH21 ARG A 71 10.770 -16.524 -1.306 1.00 24.31 H new ATOM 0 HH22 ARG A 71 11.852 -17.910 -1.130 1.00 24.31 H new ATOM 1093 N GLU A 72 5.145 -18.554 -5.391 1.00 35.22 N ATOM 1094 CA GLU A 72 4.223 -19.589 -5.844 1.00 43.52 C ATOM 1095 C GLU A 72 4.971 -20.704 -6.569 1.00 73.15 C ATOM 1096 O GLU A 72 4.881 -21.872 -6.193 1.00 34.44 O ATOM 1097 CB GLU A 72 3.161 -18.987 -6.768 1.00 22.23 C ATOM 1098 CG GLU A 72 2.264 -20.025 -7.421 1.00 52.13 C ATOM 1099 CD GLU A 72 1.067 -19.406 -8.115 1.00 73.45 C ATOM 1100 OE1 GLU A 72 0.700 -18.266 -7.761 1.00 53.14 O ATOM 1101 OE2 GLU A 72 0.495 -20.062 -9.012 1.00 2.32 O ATOM 0 H GLU A 72 5.036 -17.655 -5.861 1.00 35.22 H new ATOM 0 HA GLU A 72 3.734 -20.014 -4.968 1.00 43.52 H new ATOM 0 HB2 GLU A 72 2.544 -18.294 -6.196 1.00 22.23 H new ATOM 0 HB3 GLU A 72 3.656 -18.405 -7.546 1.00 22.23 H new ATOM 0 HG2 GLU A 72 2.844 -20.597 -8.145 1.00 52.13 H new ATOM 0 HG3 GLU A 72 1.917 -20.728 -6.664 1.00 52.13 H new ATOM 1108 N LYS A 73 5.706 -20.335 -7.611 1.00 64.15 N ATOM 1109 CA LYS A 73 6.470 -21.303 -8.390 1.00 71.23 C ATOM 1110 C LYS A 73 7.451 -22.063 -7.503 1.00 42.45 C ATOM 1111 O LYS A 73 7.677 -23.258 -7.692 1.00 62.33 O ATOM 1112 CB LYS A 73 7.227 -20.597 -9.518 1.00 20.13 C ATOM 1113 CG LYS A 73 6.514 -20.652 -10.857 1.00 61.15 C ATOM 1114 CD LYS A 73 7.494 -20.838 -12.003 1.00 61.53 C ATOM 1115 CE LYS A 73 6.999 -20.164 -13.274 1.00 24.13 C ATOM 1116 NZ LYS A 73 5.718 -20.753 -13.753 1.00 14.31 N ATOM 0 H LYS A 73 5.790 -19.372 -7.937 1.00 64.15 H new ATOM 0 HA LYS A 73 5.770 -22.018 -8.822 1.00 71.23 H new ATOM 0 HB2 LYS A 73 7.383 -19.554 -9.242 1.00 20.13 H new ATOM 0 HB3 LYS A 73 8.213 -21.051 -9.622 1.00 20.13 H new ATOM 0 HG2 LYS A 73 5.796 -21.472 -10.854 1.00 61.15 H new ATOM 0 HG3 LYS A 73 5.948 -19.733 -11.007 1.00 61.15 H new ATOM 0 HD2 LYS A 73 8.464 -20.425 -11.725 1.00 61.53 H new ATOM 0 HD3 LYS A 73 7.642 -21.902 -12.188 1.00 61.53 H new ATOM 0 HE2 LYS A 73 6.862 -19.098 -13.090 1.00 24.13 H new ATOM 0 HE3 LYS A 73 7.756 -20.258 -14.053 1.00 24.13 H new ATOM 0 HZ1 LYS A 73 5.467 -20.337 -14.673 1.00 14.31 H new ATOM 0 HZ2 LYS A 73 5.826 -21.782 -13.856 1.00 14.31 H new ATOM 0 HZ3 LYS A 73 4.965 -20.551 -13.065 1.00 14.31 H new ATOM 1130 N PHE A 74 8.029 -21.363 -6.533 1.00 4.54 N ATOM 1131 CA PHE A 74 8.986 -21.971 -5.616 1.00 55.50 C ATOM 1132 C PHE A 74 8.268 -22.784 -4.542 1.00 64.34 C ATOM 1133 O PHE A 74 8.846 -23.689 -3.944 1.00 74.54 O ATOM 1134 CB PHE A 74 9.853 -20.894 -4.961 1.00 31.42 C ATOM 1135 CG PHE A 74 11.261 -21.342 -4.690 1.00 44.20 C ATOM 1136 CD1 PHE A 74 11.618 -21.838 -3.447 1.00 72.32 C ATOM 1137 CD2 PHE A 74 12.228 -21.264 -5.678 1.00 24.52 C ATOM 1138 CE1 PHE A 74 12.912 -22.251 -3.195 1.00 32.32 C ATOM 1139 CE2 PHE A 74 13.525 -21.676 -5.433 1.00 42.11 C ATOM 1140 CZ PHE A 74 13.868 -22.169 -4.189 1.00 40.14 C ATOM 0 H PHE A 74 7.851 -20.373 -6.361 1.00 4.54 H new ATOM 0 HA PHE A 74 9.625 -22.642 -6.190 1.00 55.50 H new ATOM 0 HB2 PHE A 74 9.877 -20.016 -5.606 1.00 31.42 H new ATOM 0 HB3 PHE A 74 9.391 -20.587 -4.023 1.00 31.42 H new ATOM 0 HD1 PHE A 74 10.876 -21.903 -2.665 1.00 72.32 H new ATOM 0 HD2 PHE A 74 11.966 -20.877 -6.652 1.00 24.52 H new ATOM 0 HE1 PHE A 74 13.176 -22.638 -2.222 1.00 32.32 H new ATOM 0 HE2 PHE A 74 14.269 -21.612 -6.213 1.00 42.11 H new ATOM 0 HZ PHE A 74 14.881 -22.489 -3.994 1.00 40.14 H new ATOM 1150 N GLY A 75 7.002 -22.452 -4.305 1.00 72.22 N ATOM 1151 CA GLY A 75 6.225 -23.161 -3.304 1.00 42.43 C ATOM 1152 C GLY A 75 5.395 -22.226 -2.447 1.00 11.13 C ATOM 1153 O GLY A 75 4.456 -21.596 -2.933 1.00 61.24 O ATOM 0 H GLY A 75 6.501 -21.706 -4.788 1.00 72.22 H new ATOM 0 HA2 GLY A 75 5.567 -23.876 -3.798 1.00 42.43 H new ATOM 0 HA3 GLY A 75 6.897 -23.734 -2.665 1.00 42.43 H new ATOM 1157 N SER A 76 5.741 -22.136 -1.167 1.00 12.41 N ATOM 1158 CA SER A 76 5.017 -21.275 -0.238 1.00 10.01 C ATOM 1159 C SER A 76 5.932 -20.798 0.886 1.00 23.25 C ATOM 1160 O SER A 76 7.020 -21.338 1.088 1.00 71.45 O ATOM 1161 CB SER A 76 3.815 -22.018 0.348 1.00 32.42 C ATOM 1162 OG SER A 76 2.776 -22.141 -0.607 1.00 40.23 O ATOM 0 H SER A 76 6.518 -22.648 -0.749 1.00 12.41 H new ATOM 0 HA SER A 76 4.663 -20.404 -0.789 1.00 10.01 H new ATOM 0 HB2 SER A 76 4.124 -23.008 0.683 1.00 32.42 H new ATOM 0 HB3 SER A 76 3.446 -21.485 1.224 1.00 32.42 H new ATOM 0 HG SER A 76 3.101 -21.848 -1.484 1.00 40.23 H new ATOM 1168 N SER A 77 5.483 -19.780 1.614 1.00 51.01 N ATOM 1169 CA SER A 77 6.262 -19.226 2.715 1.00 13.21 C ATOM 1170 C SER A 77 5.375 -18.410 3.651 1.00 25.23 C ATOM 1171 O SER A 77 4.451 -17.727 3.211 1.00 41.12 O ATOM 1172 CB SER A 77 7.395 -18.351 2.177 1.00 21.44 C ATOM 1173 OG SER A 77 7.676 -17.279 3.060 1.00 30.31 O ATOM 0 H SER A 77 4.584 -19.323 1.461 1.00 51.01 H new ATOM 0 HA SER A 77 6.690 -20.056 3.278 1.00 13.21 H new ATOM 0 HB2 SER A 77 8.291 -18.956 2.038 1.00 21.44 H new ATOM 0 HB3 SER A 77 7.121 -17.957 1.198 1.00 21.44 H new ATOM 0 HG SER A 77 8.624 -17.039 2.992 1.00 30.31 H new ATOM 1179 N LYS A 78 5.664 -18.488 4.945 1.00 54.30 N ATOM 1180 CA LYS A 78 4.895 -17.757 5.946 1.00 11.14 C ATOM 1181 C LYS A 78 5.046 -16.251 5.756 1.00 64.44 C ATOM 1182 O LYS A 78 4.057 -15.531 5.631 1.00 64.12 O ATOM 1183 CB LYS A 78 5.348 -18.151 7.354 1.00 51.31 C ATOM 1184 CG LYS A 78 4.273 -18.856 8.164 1.00 63.41 C ATOM 1185 CD LYS A 78 4.379 -20.367 8.035 1.00 23.22 C ATOM 1186 CE LYS A 78 5.524 -20.918 8.870 1.00 13.05 C ATOM 1187 NZ LYS A 78 5.058 -21.397 10.202 1.00 2.33 N ATOM 0 H LYS A 78 6.425 -19.050 5.326 1.00 54.30 H new ATOM 0 HA LYS A 78 3.844 -18.018 5.822 1.00 11.14 H new ATOM 0 HB2 LYS A 78 6.219 -18.802 7.278 1.00 51.31 H new ATOM 0 HB3 LYS A 78 5.665 -17.256 7.888 1.00 51.31 H new ATOM 0 HG2 LYS A 78 4.361 -18.572 9.213 1.00 63.41 H new ATOM 0 HG3 LYS A 78 3.289 -18.529 7.827 1.00 63.41 H new ATOM 0 HD2 LYS A 78 3.443 -20.827 8.351 1.00 23.22 H new ATOM 0 HD3 LYS A 78 4.528 -20.634 6.989 1.00 23.22 H new ATOM 0 HE2 LYS A 78 6.001 -21.739 8.335 1.00 13.05 H new ATOM 0 HE3 LYS A 78 6.280 -20.144 9.006 1.00 13.05 H new ATOM 0 HZ1 LYS A 78 5.868 -21.765 10.741 1.00 2.33 H new ATOM 0 HZ2 LYS A 78 4.625 -20.608 10.723 1.00 2.33 H new ATOM 0 HZ3 LYS A 78 4.356 -22.153 10.073 1.00 2.33 H new ATOM 1201 N GLU A 79 6.290 -15.784 5.732 1.00 1.35 N ATOM 1202 CA GLU A 79 6.569 -14.363 5.555 1.00 63.21 C ATOM 1203 C GLU A 79 5.910 -13.834 4.284 1.00 53.43 C ATOM 1204 O GLU A 79 5.388 -12.718 4.262 1.00 34.14 O ATOM 1205 CB GLU A 79 8.079 -14.120 5.499 1.00 42.11 C ATOM 1206 CG GLU A 79 8.779 -14.326 6.832 1.00 42.12 C ATOM 1207 CD GLU A 79 9.407 -15.701 6.954 1.00 73.01 C ATOM 1208 OE1 GLU A 79 8.665 -16.702 6.863 1.00 0.04 O ATOM 1209 OE2 GLU A 79 10.639 -15.776 7.141 1.00 61.11 O ATOM 0 H GLU A 79 7.120 -16.368 5.833 1.00 1.35 H new ATOM 0 HA GLU A 79 6.154 -13.828 6.409 1.00 63.21 H new ATOM 0 HB2 GLU A 79 8.519 -14.790 4.760 1.00 42.11 H new ATOM 0 HB3 GLU A 79 8.262 -13.102 5.156 1.00 42.11 H new ATOM 0 HG2 GLU A 79 9.551 -13.566 6.954 1.00 42.12 H new ATOM 0 HG3 GLU A 79 8.062 -14.185 7.641 1.00 42.12 H new ATOM 1216 N ILE A 80 5.938 -14.641 3.229 1.00 32.25 N ATOM 1217 CA ILE A 80 5.343 -14.254 1.956 1.00 35.13 C ATOM 1218 C ILE A 80 3.828 -14.128 2.073 1.00 3.14 C ATOM 1219 O ILE A 80 3.261 -13.069 1.805 1.00 60.33 O ATOM 1220 CB ILE A 80 5.679 -15.269 0.848 1.00 42.04 C ATOM 1221 CG1 ILE A 80 7.194 -15.365 0.655 1.00 10.32 C ATOM 1222 CG2 ILE A 80 4.998 -14.875 -0.455 1.00 12.54 C ATOM 1223 CD1 ILE A 80 7.798 -14.143 -0.001 1.00 41.02 C ATOM 0 H ILE A 80 6.366 -15.567 3.231 1.00 32.25 H new ATOM 0 HA ILE A 80 5.766 -13.285 1.691 1.00 35.13 H new ATOM 0 HB ILE A 80 5.307 -16.249 1.149 1.00 42.04 H new ATOM 0 HG12 ILE A 80 7.667 -15.518 1.625 1.00 10.32 H new ATOM 0 HG13 ILE A 80 7.420 -16.242 0.049 1.00 10.32 H new ATOM 0 HG21 ILE A 80 5.245 -15.602 -1.229 1.00 12.54 H new ATOM 0 HG22 ILE A 80 3.918 -14.853 -0.309 1.00 12.54 H new ATOM 0 HG23 ILE A 80 5.343 -13.887 -0.762 1.00 12.54 H new ATOM 0 HD11 ILE A 80 8.874 -14.281 -0.106 1.00 41.02 H new ATOM 0 HD12 ILE A 80 7.353 -14.001 -0.986 1.00 41.02 H new ATOM 0 HD13 ILE A 80 7.603 -13.265 0.615 1.00 41.02 H new ATOM 1235 N ASP A 81 3.179 -15.215 2.477 1.00 30.20 N ATOM 1236 CA ASP A 81 1.729 -15.226 2.633 1.00 65.23 C ATOM 1237 C ASP A 81 1.266 -14.056 3.495 1.00 23.03 C ATOM 1238 O ASP A 81 0.194 -13.494 3.274 1.00 65.44 O ATOM 1239 CB ASP A 81 1.272 -16.546 3.254 1.00 63.53 C ATOM 1240 CG ASP A 81 -0.043 -17.032 2.677 1.00 64.40 C ATOM 1241 OD1 ASP A 81 -1.105 -16.638 3.203 1.00 22.10 O ATOM 1242 OD2 ASP A 81 -0.010 -17.807 1.697 1.00 40.23 O ATOM 0 H ASP A 81 3.634 -16.100 2.702 1.00 30.20 H new ATOM 0 HA ASP A 81 1.281 -15.124 1.645 1.00 65.23 H new ATOM 0 HB2 ASP A 81 2.038 -17.304 3.093 1.00 63.53 H new ATOM 0 HB3 ASP A 81 1.168 -16.421 4.332 1.00 63.53 H new ATOM 1247 N MET A 82 2.082 -13.695 4.481 1.00 4.01 N ATOM 1248 CA MET A 82 1.757 -12.592 5.376 1.00 13.10 C ATOM 1249 C MET A 82 1.876 -11.252 4.657 1.00 63.43 C ATOM 1250 O MET A 82 0.924 -10.475 4.611 1.00 44.20 O ATOM 1251 CB MET A 82 2.676 -12.610 6.599 1.00 73.11 C ATOM 1252 CG MET A 82 1.946 -12.387 7.913 1.00 52.14 C ATOM 1253 SD MET A 82 1.147 -13.883 8.527 1.00 1.22 S ATOM 1254 CE MET A 82 1.188 -13.588 10.294 1.00 4.20 C ATOM 0 H MET A 82 2.973 -14.151 4.679 1.00 4.01 H new ATOM 0 HA MET A 82 0.725 -12.718 5.704 1.00 13.10 H new ATOM 0 HB2 MET A 82 3.194 -13.568 6.639 1.00 73.11 H new ATOM 0 HB3 MET A 82 3.438 -11.840 6.481 1.00 73.11 H new ATOM 0 HG2 MET A 82 2.653 -12.025 8.660 1.00 52.14 H new ATOM 0 HG3 MET A 82 1.196 -11.608 7.780 1.00 52.14 H new ATOM 0 HE1 MET A 82 0.728 -14.428 10.814 1.00 4.20 H new ATOM 0 HE2 MET A 82 2.222 -13.481 10.621 1.00 4.20 H new ATOM 0 HE3 MET A 82 0.638 -12.675 10.523 1.00 4.20 H new ATOM 1264 N ALA A 83 3.052 -10.990 4.096 1.00 24.02 N ATOM 1265 CA ALA A 83 3.295 -9.746 3.376 1.00 13.13 C ATOM 1266 C ALA A 83 2.218 -9.499 2.327 1.00 51.03 C ATOM 1267 O ALA A 83 1.850 -8.355 2.058 1.00 1.10 O ATOM 1268 CB ALA A 83 4.672 -9.772 2.728 1.00 51.43 C ATOM 0 H ALA A 83 3.851 -11.623 4.126 1.00 24.02 H new ATOM 0 HA ALA A 83 3.259 -8.926 4.094 1.00 13.13 H new ATOM 0 HB1 ALA A 83 4.840 -8.837 2.194 1.00 51.43 H new ATOM 0 HB2 ALA A 83 5.434 -9.892 3.498 1.00 51.43 H new ATOM 0 HB3 ALA A 83 4.729 -10.605 2.028 1.00 51.43 H new ATOM 1274 N ILE A 84 1.716 -10.578 1.736 1.00 74.20 N ATOM 1275 CA ILE A 84 0.680 -10.477 0.716 1.00 72.45 C ATOM 1276 C ILE A 84 -0.644 -10.019 1.318 1.00 14.33 C ATOM 1277 O ILE A 84 -1.179 -8.974 0.949 1.00 24.44 O ATOM 1278 CB ILE A 84 0.464 -11.823 -0.003 1.00 2.11 C ATOM 1279 CG1 ILE A 84 1.760 -12.278 -0.679 1.00 54.53 C ATOM 1280 CG2 ILE A 84 -0.658 -11.705 -1.022 1.00 71.34 C ATOM 1281 CD1 ILE A 84 1.865 -13.779 -0.833 1.00 22.41 C ATOM 0 H ILE A 84 2.010 -11.532 1.946 1.00 74.20 H new ATOM 0 HA ILE A 84 1.023 -9.737 -0.007 1.00 72.45 H new ATOM 0 HB ILE A 84 0.179 -12.572 0.736 1.00 2.11 H new ATOM 0 HG12 ILE A 84 1.830 -11.814 -1.663 1.00 54.53 H new ATOM 0 HG13 ILE A 84 2.609 -11.920 -0.097 1.00 54.53 H new ATOM 0 HG21 ILE A 84 -0.798 -12.664 -1.521 1.00 71.34 H new ATOM 0 HG22 ILE A 84 -1.581 -11.421 -0.516 1.00 71.34 H new ATOM 0 HG23 ILE A 84 -0.401 -10.946 -1.760 1.00 71.34 H new ATOM 0 HD11 ILE A 84 2.808 -14.030 -1.319 1.00 22.41 H new ATOM 0 HD12 ILE A 84 1.827 -14.249 0.150 1.00 22.41 H new ATOM 0 HD13 ILE A 84 1.036 -14.141 -1.441 1.00 22.41 H new ATOM 1293 N VAL A 85 -1.167 -10.808 2.252 1.00 13.23 N ATOM 1294 CA VAL A 85 -2.426 -10.482 2.910 1.00 71.13 C ATOM 1295 C VAL A 85 -2.368 -9.102 3.557 1.00 13.21 C ATOM 1296 O VAL A 85 -3.395 -8.452 3.755 1.00 61.41 O ATOM 1297 CB VAL A 85 -2.785 -11.525 3.985 1.00 62.41 C ATOM 1298 CG1 VAL A 85 -2.954 -12.901 3.358 1.00 64.33 C ATOM 1299 CG2 VAL A 85 -1.724 -11.554 5.074 1.00 33.31 C ATOM 0 H VAL A 85 -0.738 -11.677 2.569 1.00 13.23 H new ATOM 0 HA VAL A 85 -3.196 -10.487 2.138 1.00 71.13 H new ATOM 0 HB VAL A 85 -3.733 -11.240 4.441 1.00 62.41 H new ATOM 0 HG11 VAL A 85 -3.207 -13.625 4.132 1.00 64.33 H new ATOM 0 HG12 VAL A 85 -3.753 -12.868 2.617 1.00 64.33 H new ATOM 0 HG13 VAL A 85 -2.023 -13.197 2.875 1.00 64.33 H new ATOM 0 HG21 VAL A 85 -1.994 -12.296 5.825 1.00 33.31 H new ATOM 0 HG22 VAL A 85 -0.760 -11.814 4.636 1.00 33.31 H new ATOM 0 HG23 VAL A 85 -1.656 -10.572 5.542 1.00 33.31 H new ATOM 1309 N THR A 86 -1.158 -8.659 3.885 1.00 74.03 N ATOM 1310 CA THR A 86 -0.965 -7.358 4.510 1.00 11.42 C ATOM 1311 C THR A 86 -1.222 -6.228 3.520 1.00 75.14 C ATOM 1312 O THR A 86 -2.058 -5.356 3.760 1.00 54.34 O ATOM 1313 CB THR A 86 0.461 -7.212 5.077 1.00 73.44 C ATOM 1314 OG1 THR A 86 0.736 -8.281 5.990 1.00 65.12 O ATOM 1315 CG2 THR A 86 0.628 -5.878 5.787 1.00 43.44 C ATOM 0 H THR A 86 -0.297 -9.183 3.728 1.00 74.03 H new ATOM 0 HA THR A 86 -1.683 -7.292 5.328 1.00 11.42 H new ATOM 0 HB THR A 86 1.165 -7.253 4.246 1.00 73.44 H new ATOM 0 HG1 THR A 86 1.164 -9.020 5.509 1.00 65.12 H new ATOM 0 HG21 THR A 86 1.642 -5.799 6.178 1.00 43.44 H new ATOM 0 HG22 THR A 86 0.446 -5.066 5.083 1.00 43.44 H new ATOM 0 HG23 THR A 86 -0.084 -5.812 6.609 1.00 43.44 H new ATOM 1323 N LEU A 87 -0.500 -6.248 2.405 1.00 33.32 N ATOM 1324 CA LEU A 87 -0.650 -5.226 1.376 1.00 53.25 C ATOM 1325 C LEU A 87 -2.057 -5.253 0.784 1.00 1.43 C ATOM 1326 O LEU A 87 -2.527 -4.260 0.228 1.00 43.02 O ATOM 1327 CB LEU A 87 0.385 -5.431 0.270 1.00 42.21 C ATOM 1328 CG LEU A 87 1.841 -5.172 0.657 1.00 14.22 C ATOM 1329 CD1 LEU A 87 2.775 -5.581 -0.472 1.00 55.40 C ATOM 1330 CD2 LEU A 87 2.045 -3.707 1.016 1.00 61.52 C ATOM 0 H LEU A 87 0.196 -6.962 2.191 1.00 33.32 H new ATOM 0 HA LEU A 87 -0.488 -4.253 1.839 1.00 53.25 H new ATOM 0 HB2 LEU A 87 0.303 -6.456 -0.091 1.00 42.21 H new ATOM 0 HB3 LEU A 87 0.130 -4.778 -0.564 1.00 42.21 H new ATOM 0 HG LEU A 87 2.077 -5.777 1.533 1.00 14.22 H new ATOM 0 HD11 LEU A 87 3.807 -5.389 -0.178 1.00 55.40 H new ATOM 0 HD12 LEU A 87 2.649 -6.643 -0.682 1.00 55.40 H new ATOM 0 HD13 LEU A 87 2.539 -5.004 -1.366 1.00 55.40 H new ATOM 0 HD21 LEU A 87 3.087 -3.541 1.289 1.00 61.52 H new ATOM 0 HD22 LEU A 87 1.791 -3.084 0.159 1.00 61.52 H new ATOM 0 HD23 LEU A 87 1.404 -3.446 1.858 1.00 61.52 H new ATOM 1342 N LYS A 88 -2.723 -6.395 0.909 1.00 61.05 N ATOM 1343 CA LYS A 88 -4.077 -6.552 0.390 1.00 61.43 C ATOM 1344 C LYS A 88 -5.079 -5.776 1.239 1.00 4.33 C ATOM 1345 O LYS A 88 -5.709 -4.830 0.764 1.00 34.24 O ATOM 1346 CB LYS A 88 -4.463 -8.032 0.352 1.00 34.12 C ATOM 1347 CG LYS A 88 -3.716 -8.829 -0.703 1.00 72.11 C ATOM 1348 CD LYS A 88 -4.494 -8.893 -2.008 1.00 11.54 C ATOM 1349 CE LYS A 88 -3.952 -9.976 -2.927 1.00 4.11 C ATOM 1350 NZ LYS A 88 -5.038 -10.836 -3.472 1.00 14.31 N ATOM 0 H LYS A 88 -2.348 -7.226 1.365 1.00 61.05 H new ATOM 0 HA LYS A 88 -4.099 -6.151 -0.623 1.00 61.43 H new ATOM 0 HB2 LYS A 88 -4.273 -8.473 1.330 1.00 34.12 H new ATOM 0 HB3 LYS A 88 -5.534 -8.115 0.167 1.00 34.12 H new ATOM 0 HG2 LYS A 88 -2.741 -8.375 -0.881 1.00 72.11 H new ATOM 0 HG3 LYS A 88 -3.535 -9.839 -0.336 1.00 72.11 H new ATOM 0 HD2 LYS A 88 -5.546 -9.086 -1.797 1.00 11.54 H new ATOM 0 HD3 LYS A 88 -4.442 -7.928 -2.511 1.00 11.54 H new ATOM 0 HE2 LYS A 88 -3.407 -9.514 -3.750 1.00 4.11 H new ATOM 0 HE3 LYS A 88 -3.240 -10.594 -2.380 1.00 4.11 H new ATOM 0 HZ1 LYS A 88 -4.670 -11.793 -3.644 1.00 14.31 H new ATOM 0 HZ2 LYS A 88 -5.820 -10.884 -2.788 1.00 14.31 H new ATOM 0 HZ3 LYS A 88 -5.385 -10.433 -4.366 1.00 14.31 H new ATOM 1364 N VAL A 89 -5.220 -6.180 2.497 1.00 63.45 N ATOM 1365 CA VAL A 89 -6.143 -5.521 3.413 1.00 40.32 C ATOM 1366 C VAL A 89 -5.905 -4.016 3.444 1.00 71.23 C ATOM 1367 O VAL A 89 -6.848 -3.230 3.545 1.00 5.42 O ATOM 1368 CB VAL A 89 -6.011 -6.080 4.842 1.00 73.42 C ATOM 1369 CG1 VAL A 89 -4.583 -5.930 5.344 1.00 11.02 C ATOM 1370 CG2 VAL A 89 -6.990 -5.387 5.778 1.00 24.33 C ATOM 0 H VAL A 89 -4.707 -6.961 2.905 1.00 63.45 H new ATOM 0 HA VAL A 89 -7.150 -5.719 3.045 1.00 40.32 H new ATOM 0 HB VAL A 89 -6.254 -7.142 4.822 1.00 73.42 H new ATOM 0 HG11 VAL A 89 -4.509 -6.330 6.355 1.00 11.02 H new ATOM 0 HG12 VAL A 89 -3.907 -6.477 4.687 1.00 11.02 H new ATOM 0 HG13 VAL A 89 -4.308 -4.875 5.350 1.00 11.02 H new ATOM 0 HG21 VAL A 89 -6.883 -5.795 6.783 1.00 24.33 H new ATOM 0 HG22 VAL A 89 -6.781 -4.317 5.796 1.00 24.33 H new ATOM 0 HG23 VAL A 89 -8.008 -5.552 5.426 1.00 24.33 H new ATOM 1380 N PHE A 90 -4.640 -3.620 3.355 1.00 30.11 N ATOM 1381 CA PHE A 90 -4.277 -2.208 3.373 1.00 72.04 C ATOM 1382 C PHE A 90 -4.772 -1.503 2.113 1.00 75.12 C ATOM 1383 O PHE A 90 -5.279 -0.383 2.175 1.00 72.41 O ATOM 1384 CB PHE A 90 -2.761 -2.050 3.496 1.00 33.45 C ATOM 1385 CG PHE A 90 -2.292 -0.631 3.359 1.00 3.33 C ATOM 1386 CD1 PHE A 90 -2.011 -0.097 2.111 1.00 41.23 C ATOM 1387 CD2 PHE A 90 -2.131 0.171 4.478 1.00 22.12 C ATOM 1388 CE1 PHE A 90 -1.580 1.211 1.981 1.00 33.52 C ATOM 1389 CE2 PHE A 90 -1.700 1.478 4.354 1.00 41.21 C ATOM 1390 CZ PHE A 90 -1.424 1.999 3.105 1.00 31.14 C ATOM 0 H PHE A 90 -3.848 -4.258 3.270 1.00 30.11 H new ATOM 0 HA PHE A 90 -4.754 -1.748 4.238 1.00 72.04 H new ATOM 0 HB2 PHE A 90 -2.441 -2.438 4.463 1.00 33.45 H new ATOM 0 HB3 PHE A 90 -2.277 -2.659 2.732 1.00 33.45 H new ATOM 0 HD1 PHE A 90 -2.130 -0.710 1.230 1.00 41.23 H new ATOM 0 HD2 PHE A 90 -2.345 -0.230 5.458 1.00 22.12 H new ATOM 0 HE1 PHE A 90 -1.366 1.615 1.003 1.00 33.52 H new ATOM 0 HE2 PHE A 90 -1.579 2.092 5.234 1.00 41.21 H new ATOM 0 HZ PHE A 90 -1.087 3.020 3.007 1.00 31.14 H new ATOM 1400 N ALA A 91 -4.622 -2.167 0.973 1.00 21.14 N ATOM 1401 CA ALA A 91 -5.054 -1.606 -0.301 1.00 21.13 C ATOM 1402 C ALA A 91 -6.572 -1.471 -0.355 1.00 34.22 C ATOM 1403 O ALA A 91 -7.099 -0.428 -0.738 1.00 44.22 O ATOM 1404 CB ALA A 91 -4.558 -2.468 -1.453 1.00 23.34 C ATOM 0 H ALA A 91 -4.204 -3.095 0.905 1.00 21.14 H new ATOM 0 HA ALA A 91 -4.623 -0.609 -0.395 1.00 21.13 H new ATOM 0 HB1 ALA A 91 -4.888 -2.037 -2.398 1.00 23.34 H new ATOM 0 HB2 ALA A 91 -3.469 -2.509 -1.434 1.00 23.34 H new ATOM 0 HB3 ALA A 91 -4.961 -3.476 -1.353 1.00 23.34 H new ATOM 1410 N VAL A 92 -7.269 -2.535 0.032 1.00 62.22 N ATOM 1411 CA VAL A 92 -8.727 -2.535 0.029 1.00 64.34 C ATOM 1412 C VAL A 92 -9.280 -1.605 1.104 1.00 20.25 C ATOM 1413 O VAL A 92 -10.012 -0.662 0.807 1.00 70.34 O ATOM 1414 CB VAL A 92 -9.289 -3.952 0.251 1.00 55.51 C ATOM 1415 CG1 VAL A 92 -10.796 -3.969 0.041 1.00 5.35 C ATOM 1416 CG2 VAL A 92 -8.602 -4.948 -0.670 1.00 52.33 C ATOM 0 H VAL A 92 -6.848 -3.407 0.351 1.00 62.22 H new ATOM 0 HA VAL A 92 -9.041 -2.178 -0.952 1.00 64.34 H new ATOM 0 HB VAL A 92 -9.087 -4.246 1.281 1.00 55.51 H new ATOM 0 HG11 VAL A 92 -11.174 -4.978 0.202 1.00 5.35 H new ATOM 0 HG12 VAL A 92 -11.269 -3.287 0.747 1.00 5.35 H new ATOM 0 HG13 VAL A 92 -11.025 -3.654 -0.977 1.00 5.35 H new ATOM 0 HG21 VAL A 92 -9.011 -5.944 -0.499 1.00 52.33 H new ATOM 0 HG22 VAL A 92 -8.770 -4.660 -1.708 1.00 52.33 H new ATOM 0 HG23 VAL A 92 -7.532 -4.956 -0.464 1.00 52.33 H new ATOM 1426 N ALA A 93 -8.922 -1.878 2.354 1.00 70.31 N ATOM 1427 CA ALA A 93 -9.379 -1.065 3.474 1.00 72.24 C ATOM 1428 C ALA A 93 -8.827 0.353 3.384 1.00 55.35 C ATOM 1429 O ALA A 93 -9.297 1.257 4.074 1.00 10.40 O ATOM 1430 CB ALA A 93 -8.976 -1.708 4.793 1.00 32.10 C ATOM 0 H ALA A 93 -8.317 -2.656 2.617 1.00 70.31 H new ATOM 0 HA ALA A 93 -10.467 -1.007 3.429 1.00 72.24 H new ATOM 0 HB1 ALA A 93 -9.324 -1.090 5.620 1.00 32.10 H new ATOM 0 HB2 ALA A 93 -9.424 -2.699 4.867 1.00 32.10 H new ATOM 0 HB3 ALA A 93 -7.891 -1.797 4.838 1.00 32.10 H new ATOM 1436 N GLY A 94 -7.828 0.541 2.528 1.00 11.44 N ATOM 1437 CA GLY A 94 -7.227 1.852 2.365 1.00 55.22 C ATOM 1438 C GLY A 94 -7.807 2.612 1.189 1.00 52.43 C ATOM 1439 O GLY A 94 -8.562 3.569 1.369 1.00 2.33 O ATOM 0 H GLY A 94 -7.424 -0.191 1.944 1.00 11.44 H new ATOM 0 HA2 GLY A 94 -7.374 2.432 3.276 1.00 55.22 H new ATOM 0 HA3 GLY A 94 -6.151 1.741 2.227 1.00 55.22 H new ATOM 1443 N LEU A 95 -7.453 2.189 -0.019 1.00 41.31 N ATOM 1444 CA LEU A 95 -7.942 2.838 -1.231 1.00 11.40 C ATOM 1445 C LEU A 95 -9.462 2.752 -1.319 1.00 12.00 C ATOM 1446 O LEU A 95 -10.134 3.736 -1.632 1.00 23.22 O ATOM 1447 CB LEU A 95 -7.311 2.195 -2.467 1.00 42.30 C ATOM 1448 CG LEU A 95 -5.844 2.542 -2.729 1.00 75.40 C ATOM 1449 CD1 LEU A 95 -5.645 4.050 -2.737 1.00 34.31 C ATOM 1450 CD2 LEU A 95 -4.949 1.889 -1.686 1.00 23.34 C ATOM 0 H LEU A 95 -6.829 1.399 -0.186 1.00 41.31 H new ATOM 0 HA LEU A 95 -7.658 3.890 -1.191 1.00 11.40 H new ATOM 0 HB2 LEU A 95 -7.396 1.112 -2.372 1.00 42.30 H new ATOM 0 HB3 LEU A 95 -7.894 2.486 -3.341 1.00 42.30 H new ATOM 0 HG LEU A 95 -5.568 2.155 -3.710 1.00 75.40 H new ATOM 0 HD11 LEU A 95 -4.596 4.278 -2.925 1.00 34.31 H new ATOM 0 HD12 LEU A 95 -6.258 4.494 -3.521 1.00 34.31 H new ATOM 0 HD13 LEU A 95 -5.938 4.461 -1.771 1.00 34.31 H new ATOM 0 HD21 LEU A 95 -3.909 2.146 -1.887 1.00 23.34 H new ATOM 0 HD22 LEU A 95 -5.226 2.246 -0.694 1.00 23.34 H new ATOM 0 HD23 LEU A 95 -5.070 0.807 -1.729 1.00 23.34 H new ATOM 1462 N LEU A 96 -9.999 1.570 -1.040 1.00 55.11 N ATOM 1463 CA LEU A 96 -11.442 1.354 -1.085 1.00 3.33 C ATOM 1464 C LEU A 96 -12.091 1.737 0.241 1.00 51.54 C ATOM 1465 O LEU A 96 -13.310 1.657 0.392 1.00 11.30 O ATOM 1466 CB LEU A 96 -11.750 -0.108 -1.413 1.00 12.33 C ATOM 1467 CG LEU A 96 -12.469 -0.361 -2.738 1.00 4.10 C ATOM 1468 CD1 LEU A 96 -11.559 -0.032 -3.911 1.00 34.54 C ATOM 1469 CD2 LEU A 96 -12.947 -1.804 -2.818 1.00 2.13 C ATOM 0 H LEU A 96 -9.457 0.746 -0.780 1.00 55.11 H new ATOM 0 HA LEU A 96 -11.855 1.990 -1.868 1.00 3.33 H new ATOM 0 HB2 LEU A 96 -10.812 -0.663 -1.420 1.00 12.33 H new ATOM 0 HB3 LEU A 96 -12.359 -0.520 -0.608 1.00 12.33 H new ATOM 0 HG LEU A 96 -13.340 0.292 -2.787 1.00 4.10 H new ATOM 0 HD11 LEU A 96 -12.088 -0.218 -4.846 1.00 34.54 H new ATOM 0 HD12 LEU A 96 -11.267 1.017 -3.862 1.00 34.54 H new ATOM 0 HD13 LEU A 96 -10.668 -0.659 -3.867 1.00 34.54 H new ATOM 0 HD21 LEU A 96 -13.457 -1.966 -3.768 1.00 2.13 H new ATOM 0 HD22 LEU A 96 -12.091 -2.475 -2.746 1.00 2.13 H new ATOM 0 HD23 LEU A 96 -13.636 -2.005 -1.998 1.00 2.13 H new ATOM 1481 N ASN A 97 -11.269 2.156 1.198 1.00 50.25 N ATOM 1482 CA ASN A 97 -11.764 2.553 2.511 1.00 24.11 C ATOM 1483 C ASN A 97 -12.673 1.477 3.099 1.00 22.42 C ATOM 1484 O ASN A 97 -13.582 1.774 3.873 1.00 31.52 O ATOM 1485 CB ASN A 97 -12.522 3.879 2.413 1.00 14.12 C ATOM 1486 CG ASN A 97 -11.690 4.975 1.775 1.00 75.34 C ATOM 1487 OD1 ASN A 97 -11.015 5.738 2.464 1.00 31.22 O ATOM 1488 ND2 ASN A 97 -11.737 5.056 0.450 1.00 54.12 N ATOM 0 H ASN A 97 -10.258 2.229 1.089 1.00 50.25 H new ATOM 0 HA ASN A 97 -10.907 2.679 3.172 1.00 24.11 H new ATOM 0 HB2 ASN A 97 -13.432 3.732 1.831 1.00 14.12 H new ATOM 0 HB3 ASN A 97 -12.829 4.194 3.411 1.00 14.12 H new ATOM 0 HD21 ASN A 97 -11.199 5.773 -0.037 1.00 54.12 H new ATOM 0 HD22 ASN A 97 -12.311 4.401 -0.081 1.00 54.12 H new ATOM 1495 N MET A 98 -12.418 0.227 2.724 1.00 51.42 N ATOM 1496 CA MET A 98 -13.212 -0.893 3.217 1.00 23.40 C ATOM 1497 C MET A 98 -12.860 -1.215 4.666 1.00 25.40 C ATOM 1498 O MET A 98 -11.886 -0.693 5.209 1.00 43.40 O ATOM 1499 CB MET A 98 -12.990 -2.127 2.339 1.00 65.10 C ATOM 1500 CG MET A 98 -14.181 -3.071 2.306 1.00 32.23 C ATOM 1501 SD MET A 98 -14.303 -3.979 0.753 1.00 72.14 S ATOM 1502 CE MET A 98 -15.464 -5.266 1.205 1.00 74.01 C ATOM 0 H MET A 98 -11.670 -0.035 2.082 1.00 51.42 H new ATOM 0 HA MET A 98 -14.263 -0.608 3.173 1.00 23.40 H new ATOM 0 HB2 MET A 98 -12.764 -1.804 1.323 1.00 65.10 H new ATOM 0 HB3 MET A 98 -12.117 -2.669 2.702 1.00 65.10 H new ATOM 0 HG2 MET A 98 -14.102 -3.779 3.131 1.00 32.23 H new ATOM 0 HG3 MET A 98 -15.097 -2.501 2.462 1.00 32.23 H new ATOM 0 HE1 MET A 98 -15.643 -5.913 0.346 1.00 74.01 H new ATOM 0 HE2 MET A 98 -15.052 -5.856 2.024 1.00 74.01 H new ATOM 0 HE3 MET A 98 -16.404 -4.814 1.521 1.00 74.01 H new ATOM 1512 N THR A 99 -13.658 -2.078 5.286 1.00 4.22 N ATOM 1513 CA THR A 99 -13.431 -2.468 6.671 1.00 34.03 C ATOM 1514 C THR A 99 -13.642 -3.966 6.863 1.00 41.30 C ATOM 1515 O THR A 99 -14.549 -4.388 7.579 1.00 13.21 O ATOM 1516 CB THR A 99 -14.364 -1.703 7.631 1.00 24.21 C ATOM 1517 OG1 THR A 99 -14.228 -2.218 8.960 1.00 41.10 O ATOM 1518 CG2 THR A 99 -15.813 -1.817 7.182 1.00 20.42 C ATOM 0 H THR A 99 -14.467 -2.520 4.850 1.00 4.22 H new ATOM 0 HA THR A 99 -12.396 -2.217 6.904 1.00 34.03 H new ATOM 0 HB THR A 99 -14.079 -0.651 7.619 1.00 24.21 H new ATOM 0 HG1 THR A 99 -14.589 -3.128 8.997 1.00 41.10 H new ATOM 0 HG21 THR A 99 -16.453 -1.270 7.874 1.00 20.42 H new ATOM 0 HG22 THR A 99 -15.918 -1.397 6.182 1.00 20.42 H new ATOM 0 HG23 THR A 99 -16.108 -2.866 7.168 1.00 20.42 H new ATOM 1526 N VAL A 100 -12.797 -4.764 6.219 1.00 31.42 N ATOM 1527 CA VAL A 100 -12.889 -6.216 6.320 1.00 42.44 C ATOM 1528 C VAL A 100 -12.813 -6.672 7.772 1.00 10.13 C ATOM 1529 O VAL A 100 -12.670 -5.856 8.683 1.00 40.25 O ATOM 1530 CB VAL A 100 -11.772 -6.907 5.516 1.00 61.23 C ATOM 1531 CG1 VAL A 100 -11.986 -6.706 4.023 1.00 72.02 C ATOM 1532 CG2 VAL A 100 -10.408 -6.386 5.943 1.00 44.44 C ATOM 0 H VAL A 100 -12.041 -4.430 5.622 1.00 31.42 H new ATOM 0 HA VAL A 100 -13.855 -6.501 5.903 1.00 42.44 H new ATOM 0 HB VAL A 100 -11.808 -7.977 5.723 1.00 61.23 H new ATOM 0 HG11 VAL A 100 -11.187 -7.201 3.471 1.00 72.02 H new ATOM 0 HG12 VAL A 100 -12.946 -7.132 3.732 1.00 72.02 H new ATOM 0 HG13 VAL A 100 -11.978 -5.640 3.795 1.00 72.02 H new ATOM 0 HG21 VAL A 100 -9.631 -6.885 5.365 1.00 44.44 H new ATOM 0 HG22 VAL A 100 -10.358 -5.311 5.767 1.00 44.44 H new ATOM 0 HG23 VAL A 100 -10.257 -6.588 7.004 1.00 44.44 H new ATOM 1542 N SER A 101 -12.906 -7.981 7.981 1.00 32.02 N ATOM 1543 CA SER A 101 -12.849 -8.547 9.325 1.00 51.25 C ATOM 1544 C SER A 101 -11.426 -8.964 9.679 1.00 71.23 C ATOM 1545 O SER A 101 -10.981 -8.796 10.814 1.00 12.04 O ATOM 1546 CB SER A 101 -13.789 -9.749 9.434 1.00 53.31 C ATOM 1547 OG SER A 101 -14.769 -9.726 8.411 1.00 31.20 O ATOM 0 H SER A 101 -13.021 -8.670 7.238 1.00 32.02 H new ATOM 0 HA SER A 101 -13.169 -7.780 10.030 1.00 51.25 H new ATOM 0 HB2 SER A 101 -13.213 -10.672 9.369 1.00 53.31 H new ATOM 0 HB3 SER A 101 -14.277 -9.746 10.409 1.00 53.31 H new ATOM 0 HG SER A 101 -15.356 -10.506 8.502 1.00 31.20 H new ATOM 1553 N THR A 102 -10.715 -9.512 8.698 1.00 5.52 N ATOM 1554 CA THR A 102 -9.342 -9.955 8.904 1.00 55.20 C ATOM 1555 C THR A 102 -8.504 -9.755 7.646 1.00 72.45 C ATOM 1556 O THR A 102 -9.036 -9.703 6.537 1.00 41.10 O ATOM 1557 CB THR A 102 -9.287 -11.440 9.313 1.00 4.52 C ATOM 1558 OG1 THR A 102 -9.611 -12.269 8.191 1.00 14.52 O ATOM 1559 CG2 THR A 102 -10.252 -11.721 10.455 1.00 33.24 C ATOM 0 H THR A 102 -11.068 -9.660 7.752 1.00 5.52 H new ATOM 0 HA THR A 102 -8.932 -9.347 9.710 1.00 55.20 H new ATOM 0 HB THR A 102 -8.275 -11.666 9.650 1.00 4.52 H new ATOM 0 HG1 THR A 102 -9.572 -13.211 8.458 1.00 14.52 H new ATOM 0 HG21 THR A 102 -10.196 -12.775 10.727 1.00 33.24 H new ATOM 0 HG22 THR A 102 -9.984 -11.109 11.316 1.00 33.24 H new ATOM 0 HG23 THR A 102 -11.268 -11.481 10.141 1.00 33.24 H new ATOM 1567 N ALA A 103 -7.192 -9.644 7.826 1.00 74.51 N ATOM 1568 CA ALA A 103 -6.281 -9.454 6.705 1.00 41.30 C ATOM 1569 C ALA A 103 -6.489 -10.525 5.639 1.00 11.44 C ATOM 1570 O ALA A 103 -6.410 -10.247 4.443 1.00 70.40 O ATOM 1571 CB ALA A 103 -4.839 -9.461 7.189 1.00 0.03 C ATOM 0 H ALA A 103 -6.737 -9.682 8.738 1.00 74.51 H new ATOM 0 HA ALA A 103 -6.497 -8.485 6.255 1.00 41.30 H new ATOM 0 HB1 ALA A 103 -4.170 -9.318 6.341 1.00 0.03 H new ATOM 0 HB2 ALA A 103 -4.692 -8.654 7.907 1.00 0.03 H new ATOM 0 HB3 ALA A 103 -4.620 -10.416 7.667 1.00 0.03 H new ATOM 1577 N ALA A 104 -6.755 -11.749 6.083 1.00 71.41 N ATOM 1578 CA ALA A 104 -6.975 -12.862 5.167 1.00 41.43 C ATOM 1579 C ALA A 104 -8.235 -12.647 4.335 1.00 23.25 C ATOM 1580 O ALA A 104 -8.211 -12.776 3.111 1.00 52.04 O ATOM 1581 CB ALA A 104 -7.066 -14.170 5.939 1.00 64.40 C ATOM 0 H ALA A 104 -6.823 -11.995 7.071 1.00 71.41 H new ATOM 0 HA ALA A 104 -6.126 -12.914 4.485 1.00 41.43 H new ATOM 0 HB1 ALA A 104 -7.230 -14.993 5.243 1.00 64.40 H new ATOM 0 HB2 ALA A 104 -6.137 -14.336 6.484 1.00 64.40 H new ATOM 0 HB3 ALA A 104 -7.896 -14.120 6.644 1.00 64.40 H new ATOM 1587 N ALA A 105 -9.333 -12.319 5.007 1.00 43.34 N ATOM 1588 CA ALA A 105 -10.602 -12.085 4.329 1.00 14.21 C ATOM 1589 C ALA A 105 -10.448 -11.057 3.214 1.00 25.14 C ATOM 1590 O ALA A 105 -11.031 -11.200 2.139 1.00 12.22 O ATOM 1591 CB ALA A 105 -11.657 -11.629 5.327 1.00 60.42 C ATOM 0 H ALA A 105 -9.370 -12.209 6.020 1.00 43.34 H new ATOM 0 HA ALA A 105 -10.924 -13.024 3.879 1.00 14.21 H new ATOM 0 HB1 ALA A 105 -12.600 -11.458 4.807 1.00 60.42 H new ATOM 0 HB2 ALA A 105 -11.796 -12.398 6.087 1.00 60.42 H new ATOM 0 HB3 ALA A 105 -11.332 -10.704 5.803 1.00 60.42 H new ATOM 1597 N ALA A 106 -9.658 -10.020 3.476 1.00 61.23 N ATOM 1598 CA ALA A 106 -9.426 -8.970 2.493 1.00 42.34 C ATOM 1599 C ALA A 106 -8.715 -9.518 1.260 1.00 60.02 C ATOM 1600 O ALA A 106 -9.181 -9.341 0.134 1.00 12.13 O ATOM 1601 CB ALA A 106 -8.617 -7.838 3.111 1.00 41.13 C ATOM 0 H ALA A 106 -9.168 -9.885 4.361 1.00 61.23 H new ATOM 0 HA ALA A 106 -10.395 -8.581 2.179 1.00 42.34 H new ATOM 0 HB1 ALA A 106 -8.451 -7.060 2.366 1.00 41.13 H new ATOM 0 HB2 ALA A 106 -9.163 -7.420 3.956 1.00 41.13 H new ATOM 0 HB3 ALA A 106 -7.657 -8.222 3.454 1.00 41.13 H new ATOM 1607 N GLU A 107 -7.585 -10.182 1.480 1.00 73.34 N ATOM 1608 CA GLU A 107 -6.811 -10.755 0.386 1.00 24.20 C ATOM 1609 C GLU A 107 -7.693 -11.620 -0.511 1.00 2.31 C ATOM 1610 O GLU A 107 -7.543 -11.621 -1.731 1.00 62.44 O ATOM 1611 CB GLU A 107 -5.650 -11.588 0.933 1.00 51.21 C ATOM 1612 CG GLU A 107 -4.738 -12.145 -0.147 1.00 14.02 C ATOM 1613 CD GLU A 107 -4.885 -13.645 -0.318 1.00 62.13 C ATOM 1614 OE1 GLU A 107 -4.889 -14.361 0.706 1.00 4.21 O ATOM 1615 OE2 GLU A 107 -4.998 -14.102 -1.474 1.00 41.31 O ATOM 0 H GLU A 107 -7.185 -10.336 2.406 1.00 73.34 H new ATOM 0 HA GLU A 107 -6.411 -9.934 -0.209 1.00 24.20 H new ATOM 0 HB2 GLU A 107 -5.061 -10.972 1.612 1.00 51.21 H new ATOM 0 HB3 GLU A 107 -6.052 -12.414 1.519 1.00 51.21 H new ATOM 0 HG2 GLU A 107 -4.959 -11.652 -1.094 1.00 14.02 H new ATOM 0 HG3 GLU A 107 -3.703 -11.911 0.101 1.00 14.02 H new ATOM 1622 N ASN A 108 -8.612 -12.356 0.106 1.00 61.44 N ATOM 1623 CA ASN A 108 -9.517 -13.227 -0.635 1.00 43.02 C ATOM 1624 C ASN A 108 -10.454 -12.410 -1.521 1.00 13.41 C ATOM 1625 O ASN A 108 -10.695 -12.759 -2.676 1.00 2.25 O ATOM 1626 CB ASN A 108 -10.333 -14.089 0.330 1.00 31.40 C ATOM 1627 CG ASN A 108 -10.581 -15.485 -0.210 1.00 24.04 C ATOM 1628 OD1 ASN A 108 -10.228 -15.793 -1.349 1.00 31.43 O ATOM 1629 ND2 ASN A 108 -11.190 -16.335 0.607 1.00 74.22 N ATOM 0 H ASN A 108 -8.749 -12.367 1.117 1.00 61.44 H new ATOM 0 HA ASN A 108 -8.916 -13.876 -1.272 1.00 43.02 H new ATOM 0 HB2 ASN A 108 -9.808 -14.159 1.283 1.00 31.40 H new ATOM 0 HB3 ASN A 108 -11.289 -13.604 0.527 1.00 31.40 H new ATOM 0 HD21 ASN A 108 -11.384 -17.288 0.299 1.00 74.22 H new ATOM 0 HD22 ASN A 108 -11.464 -16.035 1.543 1.00 74.22 H new ATOM 1636 N MET A 109 -10.981 -11.322 -0.969 1.00 3.12 N ATOM 1637 CA MET A 109 -11.890 -10.454 -1.708 1.00 22.31 C ATOM 1638 C MET A 109 -11.181 -9.807 -2.894 1.00 10.14 C ATOM 1639 O MET A 109 -11.771 -9.627 -3.960 1.00 1.11 O ATOM 1640 CB MET A 109 -12.460 -9.373 -0.788 1.00 50.01 C ATOM 1641 CG MET A 109 -13.453 -9.904 0.232 1.00 73.23 C ATOM 1642 SD MET A 109 -15.159 -9.480 -0.172 1.00 3.43 S ATOM 1643 CE MET A 109 -15.918 -9.555 1.448 1.00 71.12 C ATOM 0 H MET A 109 -10.794 -11.021 -0.013 1.00 3.12 H new ATOM 0 HA MET A 109 -12.708 -11.066 -2.087 1.00 22.31 H new ATOM 0 HB2 MET A 109 -11.639 -8.884 -0.263 1.00 50.01 H new ATOM 0 HB3 MET A 109 -12.948 -8.611 -1.396 1.00 50.01 H new ATOM 0 HG2 MET A 109 -13.358 -10.988 0.296 1.00 73.23 H new ATOM 0 HG3 MET A 109 -13.207 -9.504 1.215 1.00 73.23 H new ATOM 0 HE1 MET A 109 -16.978 -9.316 1.364 1.00 71.12 H new ATOM 0 HE2 MET A 109 -15.803 -10.559 1.857 1.00 71.12 H new ATOM 0 HE3 MET A 109 -15.435 -8.836 2.110 1.00 71.12 H new ATOM 1653 N TYR A 110 -9.913 -9.460 -2.702 1.00 32.44 N ATOM 1654 CA TYR A 110 -9.124 -8.831 -3.754 1.00 53.22 C ATOM 1655 C TYR A 110 -8.974 -9.762 -4.954 1.00 53.33 C ATOM 1656 O TYR A 110 -9.295 -9.394 -6.083 1.00 4.52 O ATOM 1657 CB TYR A 110 -7.744 -8.441 -3.222 1.00 72.54 C ATOM 1658 CG TYR A 110 -7.241 -7.119 -3.755 1.00 50.32 C ATOM 1659 CD1 TYR A 110 -8.009 -5.965 -3.641 1.00 70.41 C ATOM 1660 CD2 TYR A 110 -6.001 -7.021 -4.372 1.00 32.01 C ATOM 1661 CE1 TYR A 110 -7.554 -4.755 -4.128 1.00 14.45 C ATOM 1662 CE2 TYR A 110 -5.537 -5.814 -4.859 1.00 61.44 C ATOM 1663 CZ TYR A 110 -6.318 -4.685 -4.735 1.00 1.33 C ATOM 1664 OH TYR A 110 -5.861 -3.480 -5.221 1.00 55.00 O ATOM 0 H TYR A 110 -9.410 -9.604 -1.827 1.00 32.44 H new ATOM 0 HA TYR A 110 -9.649 -7.932 -4.078 1.00 53.22 H new ATOM 0 HB2 TYR A 110 -7.784 -8.393 -2.134 1.00 72.54 H new ATOM 0 HB3 TYR A 110 -7.030 -9.223 -3.481 1.00 72.54 H new ATOM 0 HD1 TYR A 110 -8.977 -6.016 -3.164 1.00 70.41 H new ATOM 0 HD2 TYR A 110 -5.388 -7.904 -4.473 1.00 32.01 H new ATOM 0 HE1 TYR A 110 -8.163 -3.868 -4.034 1.00 14.45 H new ATOM 0 HE2 TYR A 110 -4.569 -5.756 -5.334 1.00 61.44 H new ATOM 0 HH TYR A 110 -4.899 -3.542 -5.397 1.00 55.00 H new ATOM 1674 N SER A 111 -8.487 -10.972 -4.698 1.00 0.34 N ATOM 1675 CA SER A 111 -8.292 -11.956 -5.756 1.00 31.14 C ATOM 1676 C SER A 111 -9.632 -12.428 -6.314 1.00 2.03 C ATOM 1677 O SER A 111 -9.794 -12.572 -7.525 1.00 52.31 O ATOM 1678 CB SER A 111 -7.497 -13.153 -5.228 1.00 61.14 C ATOM 1679 OG SER A 111 -8.173 -13.779 -4.151 1.00 21.33 O ATOM 0 H SER A 111 -8.220 -11.294 -3.768 1.00 0.34 H new ATOM 0 HA SER A 111 -7.730 -11.481 -6.560 1.00 31.14 H new ATOM 0 HB2 SER A 111 -7.341 -13.873 -6.031 1.00 61.14 H new ATOM 0 HB3 SER A 111 -6.511 -12.823 -4.900 1.00 61.14 H new ATOM 0 HG SER A 111 -8.070 -13.237 -3.341 1.00 21.33 H new ATOM 1685 N GLN A 112 -10.586 -12.666 -5.420 1.00 31.00 N ATOM 1686 CA GLN A 112 -11.911 -13.122 -5.822 1.00 64.44 C ATOM 1687 C GLN A 112 -12.618 -12.064 -6.665 1.00 72.24 C ATOM 1688 O GLN A 112 -13.410 -12.389 -7.549 1.00 63.30 O ATOM 1689 CB GLN A 112 -12.754 -13.457 -4.591 1.00 35.22 C ATOM 1690 CG GLN A 112 -14.067 -14.149 -4.922 1.00 62.01 C ATOM 1691 CD GLN A 112 -14.883 -14.473 -3.686 1.00 63.52 C ATOM 1692 OE1 GLN A 112 -15.010 -13.652 -2.779 1.00 42.22 O ATOM 1693 NE2 GLN A 112 -15.443 -15.677 -3.646 1.00 43.13 N ATOM 0 H GLN A 112 -10.466 -12.551 -4.414 1.00 31.00 H new ATOM 0 HA GLN A 112 -11.790 -14.021 -6.426 1.00 64.44 H new ATOM 0 HB2 GLN A 112 -12.173 -14.097 -3.926 1.00 35.22 H new ATOM 0 HB3 GLN A 112 -12.965 -12.538 -4.044 1.00 35.22 H new ATOM 0 HG2 GLN A 112 -14.653 -13.511 -5.583 1.00 62.01 H new ATOM 0 HG3 GLN A 112 -13.861 -15.069 -5.468 1.00 62.01 H new ATOM 0 HE21 GLN A 112 -15.311 -16.327 -4.421 1.00 43.13 H new ATOM 0 HE22 GLN A 112 -16.005 -15.952 -2.840 1.00 43.13 H new ATOM 1702 N MET A 113 -12.327 -10.799 -6.383 1.00 33.14 N ATOM 1703 CA MET A 113 -12.934 -9.694 -7.115 1.00 73.45 C ATOM 1704 C MET A 113 -12.440 -9.661 -8.559 1.00 13.22 C ATOM 1705 O MET A 113 -13.101 -9.112 -9.439 1.00 52.35 O ATOM 1706 CB MET A 113 -12.622 -8.364 -6.427 1.00 11.12 C ATOM 1707 CG MET A 113 -13.660 -7.956 -5.394 1.00 25.41 C ATOM 1708 SD MET A 113 -13.015 -6.781 -4.187 1.00 23.41 S ATOM 1709 CE MET A 113 -12.564 -5.414 -5.254 1.00 14.05 C ATOM 0 H MET A 113 -11.675 -10.513 -5.653 1.00 33.14 H new ATOM 0 HA MET A 113 -14.013 -9.846 -7.122 1.00 73.45 H new ATOM 0 HB2 MET A 113 -11.648 -8.434 -5.943 1.00 11.12 H new ATOM 0 HB3 MET A 113 -12.547 -7.582 -7.183 1.00 11.12 H new ATOM 0 HG2 MET A 113 -14.518 -7.515 -5.901 1.00 25.41 H new ATOM 0 HG3 MET A 113 -14.019 -8.845 -4.874 1.00 25.41 H new ATOM 0 HE1 MET A 113 -12.282 -4.555 -4.645 1.00 14.05 H new ATOM 0 HE2 MET A 113 -11.722 -5.705 -5.883 1.00 14.05 H new ATOM 0 HE3 MET A 113 -13.413 -5.149 -5.884 1.00 14.05 H new