USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 634 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 69 THR OG1 : rot 58:sc= -0.587 USER MOD Set 1.2: A 80 LYS NZ :NH3+ -138:sc= -3.12! (180deg=-3.5!) USER MOD Set 2.1: A 40 SER OG : rot -63:sc= 0.0268 USER MOD Set 2.2: A 43 TYR OH : rot 120:sc= -1.92! USER MOD Set 3.1: A 41 SER OG : rot 180:sc= 0.00388 USER MOD Set 3.2: A 42 GLN : amide:sc= -14.4! C(o=-14!,f=-26!) USER MOD Set 4.1: A 22 LYS NZ :NH3+ 151:sc= -0.898 (180deg=-1.7) USER MOD Set 4.2: A 51 THR OG1 : rot 170:sc= -3.2! USER MOD Set 5.1: A 7 ASN : amide:sc= -11.6! C(o=-11!,f=-10!) USER MOD Set 5.2: A 24 THR OG1 : rot 71:sc= 0.917 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 10 SER OG : rot 180:sc= -1.05! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 158:sc= 1.05 (180deg=0.952) USER MOD Single : A 17 SER OG : rot 65:sc= -0.885 USER MOD Single : A 21 THR OG1 : rot 75:sc= 0.619 USER MOD Single : A 26 THR OG1 : rot -150:sc= -1.09! USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 30 ASN : amide:sc= -5.84! C(o=-5.8!,f=-5.5!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0719 USER MOD Single : A 33 ASN : amide:sc= -0.12 K(o=-0.12,f=-0.71) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0669 X(o=-0.067,f=-0.32) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -6.06! C(o=-6.1!,f=-7.8!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0189 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -4.46! C(o=-4.5!,f=-8.5!) USER MOD Single : A 59 THR OG1 : rot 85:sc= 1.19 USER MOD Single : A 63 ASN : amide:sc= -5.85! C(o=-5.9!,f=-4.2!) USER MOD Single : A 64 THR OG1 : rot -70:sc= -0.686! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -121:sc= -2.22! (180deg=-4.43!) USER MOD Single : A 67 THR OG1 : rot 63:sc= 0.268 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -5.06! C(o=-5.1!,f=-7.2!) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0242 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -5.714 16.969 -4.720 1.00 0.00 N ATOM 38 CA ASP A 3 -6.669 15.879 -4.583 1.00 0.00 C ATOM 39 C ASP A 3 -6.198 14.632 -5.333 1.00 0.00 C ATOM 40 O ASP A 3 -6.742 14.288 -6.383 1.00 0.00 O ATOM 41 CB ASP A 3 -8.038 16.312 -5.087 1.00 0.00 C ATOM 42 CG ASP A 3 -9.005 15.152 -5.236 1.00 0.00 C ATOM 43 OD1 ASP A 3 -9.278 14.474 -4.223 1.00 0.00 O ATOM 44 OD2 ASP A 3 -9.489 14.924 -6.364 1.00 0.00 O ATOM 0 HA ASP A 3 -6.743 15.627 -3.525 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.459 17.043 -4.397 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.925 16.810 -6.050 1.00 0.00 H new ATOM 49 N PRO A 4 -5.181 13.939 -4.800 1.00 0.00 N ATOM 50 CA PRO A 4 -4.641 12.725 -5.414 1.00 0.00 C ATOM 51 C PRO A 4 -5.548 11.522 -5.181 1.00 0.00 C ATOM 52 O PRO A 4 -6.201 11.423 -4.142 1.00 0.00 O ATOM 53 CB PRO A 4 -3.308 12.537 -4.692 1.00 0.00 C ATOM 54 CG PRO A 4 -3.522 13.144 -3.347 1.00 0.00 C ATOM 55 CD PRO A 4 -4.484 14.287 -3.547 1.00 0.00 C ATOM 0 HA PRO A 4 -4.546 12.811 -6.497 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -3.044 11.482 -4.614 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -2.495 13.030 -5.225 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.928 12.411 -2.650 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -2.581 13.497 -2.926 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -5.180 14.376 -2.713 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -3.962 15.240 -3.630 1.00 0.00 H new ATOM 63 N THR A 5 -5.598 10.609 -6.149 1.00 0.00 N ATOM 64 CA THR A 5 -6.445 9.428 -6.018 1.00 0.00 C ATOM 65 C THR A 5 -5.652 8.136 -6.197 1.00 0.00 C ATOM 66 O THR A 5 -4.502 8.154 -6.635 1.00 0.00 O ATOM 67 CB THR A 5 -7.597 9.480 -7.023 1.00 0.00 C ATOM 68 OG1 THR A 5 -7.848 10.813 -7.433 1.00 0.00 O ATOM 69 CG2 THR A 5 -8.890 8.914 -6.482 1.00 0.00 C ATOM 0 H THR A 5 -5.070 10.663 -7.020 1.00 0.00 H new ATOM 0 HA THR A 5 -6.851 9.432 -5.006 1.00 0.00 H new ATOM 0 HB THR A 5 -7.274 8.864 -7.862 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.587 10.824 -8.077 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.665 8.982 -7.246 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.743 7.870 -6.206 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.196 9.482 -5.603 1.00 0.00 H new ATOM 77 N ILE A 6 -6.281 7.017 -5.845 1.00 0.00 N ATOM 78 CA ILE A 6 -5.652 5.704 -5.956 1.00 0.00 C ATOM 79 C ILE A 6 -6.701 4.601 -6.010 1.00 0.00 C ATOM 80 O ILE A 6 -7.814 4.771 -5.509 1.00 0.00 O ATOM 81 CB ILE A 6 -4.708 5.432 -4.771 1.00 0.00 C ATOM 82 CG1 ILE A 6 -3.891 4.165 -5.018 1.00 0.00 C ATOM 83 CG2 ILE A 6 -5.503 5.310 -3.479 1.00 0.00 C ATOM 84 CD1 ILE A 6 -2.653 4.068 -4.153 1.00 0.00 C ATOM 0 H ILE A 6 -7.232 6.994 -5.478 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.075 5.706 -6.880 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.020 6.272 -4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.521 3.294 -4.836 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.596 4.131 -6.067 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.822 5.118 -2.650 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.045 6.238 -3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.212 4.487 -3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.121 3.144 -4.381 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.003 4.920 -4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.942 4.070 -3.102 1.00 0.00 H new ATOM 96 N ASN A 7 -6.349 3.479 -6.624 1.00 0.00 N ATOM 97 CA ASN A 7 -7.286 2.364 -6.742 1.00 0.00 C ATOM 98 C ASN A 7 -7.919 2.005 -5.432 1.00 0.00 C ATOM 99 O ASN A 7 -9.075 2.364 -5.200 1.00 0.00 O ATOM 100 CB ASN A 7 -6.675 1.133 -7.436 1.00 0.00 C ATOM 101 CG ASN A 7 -5.250 1.339 -7.930 1.00 0.00 C ATOM 102 OD1 ASN A 7 -4.957 1.089 -9.099 1.00 0.00 O ATOM 103 ND2 ASN A 7 -4.349 1.790 -7.058 1.00 0.00 N ATOM 0 H ASN A 7 -5.434 3.315 -7.044 1.00 0.00 H new ATOM 0 HA ASN A 7 -8.083 2.721 -7.394 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.689 0.294 -6.741 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.305 0.857 -8.282 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.384 1.938 -7.352 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.625 1.988 -6.096 1.00 0.00 H new ATOM 110 N PRO A 8 -7.258 1.266 -4.565 1.00 0.00 N ATOM 111 CA PRO A 8 -7.862 0.872 -3.344 1.00 0.00 C ATOM 112 C PRO A 8 -7.351 1.651 -2.141 1.00 0.00 C ATOM 113 O PRO A 8 -6.555 2.577 -2.281 1.00 0.00 O ATOM 114 CB PRO A 8 -7.438 -0.572 -3.284 1.00 0.00 C ATOM 115 CG PRO A 8 -6.097 -0.625 -3.965 1.00 0.00 C ATOM 116 CD PRO A 8 -5.916 0.689 -4.672 1.00 0.00 C ATOM 0 HA PRO A 8 -8.938 1.046 -3.312 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.369 -0.918 -2.253 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.160 -1.214 -3.788 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.301 -0.786 -3.238 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.055 -1.453 -4.672 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.162 1.313 -4.192 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.608 0.558 -5.709 1.00 0.00 H new ATOM 124 N THR A 9 -7.817 1.267 -0.957 1.00 0.00 N ATOM 125 CA THR A 9 -7.404 1.933 0.265 1.00 0.00 C ATOM 126 C THR A 9 -7.419 0.978 1.458 1.00 0.00 C ATOM 127 O THR A 9 -7.235 1.405 2.599 1.00 0.00 O ATOM 128 CB THR A 9 -8.323 3.123 0.547 1.00 0.00 C ATOM 129 OG1 THR A 9 -8.541 3.876 -0.629 1.00 0.00 O ATOM 130 CG2 THR A 9 -7.780 4.069 1.598 1.00 0.00 C ATOM 0 H THR A 9 -8.477 0.502 -0.822 1.00 0.00 H new ATOM 0 HA THR A 9 -6.381 2.282 0.124 1.00 0.00 H new ATOM 0 HB THR A 9 -9.250 2.686 0.918 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.132 4.632 -0.429 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.482 4.889 1.747 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.645 3.531 2.537 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.821 4.468 1.268 1.00 0.00 H new ATOM 138 N SER A 10 -7.631 -0.312 1.209 1.00 0.00 N ATOM 139 CA SER A 10 -7.658 -1.282 2.297 1.00 0.00 C ATOM 140 C SER A 10 -7.677 -2.721 1.787 1.00 0.00 C ATOM 141 O SER A 10 -8.273 -3.025 0.754 1.00 0.00 O ATOM 142 CB SER A 10 -8.875 -1.034 3.190 1.00 0.00 C ATOM 143 OG SER A 10 -9.589 0.113 2.774 1.00 0.00 O ATOM 0 H SER A 10 -7.784 -0.704 0.280 1.00 0.00 H new ATOM 0 HA SER A 10 -6.742 -1.149 2.873 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.532 -1.904 3.164 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.552 -0.909 4.223 1.00 0.00 H new ATOM 0 HG SER A 10 -10.362 0.248 3.361 1.00 0.00 H new ATOM 149 N ILE A 11 -7.026 -3.598 2.542 1.00 0.00 N ATOM 150 CA ILE A 11 -6.957 -5.021 2.210 1.00 0.00 C ATOM 151 C ILE A 11 -6.483 -5.825 3.418 1.00 0.00 C ATOM 152 O ILE A 11 -5.782 -5.301 4.282 1.00 0.00 O ATOM 153 CB ILE A 11 -6.008 -5.287 1.025 1.00 0.00 C ATOM 154 CG1 ILE A 11 -5.952 -6.784 0.707 1.00 0.00 C ATOM 155 CG2 ILE A 11 -4.618 -4.756 1.324 1.00 0.00 C ATOM 156 CD1 ILE A 11 -5.235 -7.101 -0.583 1.00 0.00 C ATOM 0 H ILE A 11 -6.532 -3.347 3.398 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.962 -5.334 1.925 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.396 -4.763 0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.454 -7.303 1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.968 -7.174 0.653 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.963 -4.953 0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.669 -3.682 1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.222 -5.251 2.211 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.234 -8.179 -0.743 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.745 -6.611 -1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.207 -6.742 -0.526 1.00 0.00 H new ATOM 168 N SER A 12 -6.866 -7.096 3.483 1.00 0.00 N ATOM 169 CA SER A 12 -6.465 -7.949 4.599 1.00 0.00 C ATOM 170 C SER A 12 -6.027 -9.324 4.119 1.00 0.00 C ATOM 171 O SER A 12 -6.686 -9.944 3.283 1.00 0.00 O ATOM 172 CB SER A 12 -7.601 -8.103 5.605 1.00 0.00 C ATOM 173 OG SER A 12 -8.746 -7.367 5.203 1.00 0.00 O ATOM 0 H SER A 12 -7.448 -7.556 2.783 1.00 0.00 H new ATOM 0 HA SER A 12 -5.619 -7.462 5.085 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.860 -9.157 5.706 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.271 -7.760 6.586 1.00 0.00 H new ATOM 0 HG SER A 12 -9.459 -7.485 5.865 1.00 0.00 H new ATOM 179 N ALA A 13 -4.909 -9.793 4.655 1.00 0.00 N ATOM 180 CA ALA A 13 -4.377 -11.093 4.295 1.00 0.00 C ATOM 181 C ALA A 13 -3.211 -11.478 5.200 1.00 0.00 C ATOM 182 O ALA A 13 -2.619 -10.635 5.878 1.00 0.00 O ATOM 183 CB ALA A 13 -3.939 -11.098 2.839 1.00 0.00 C ATOM 0 H ALA A 13 -4.353 -9.287 5.344 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.167 -11.832 4.429 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.542 -12.080 2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.794 -10.874 2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.167 -10.343 2.689 1.00 0.00 H new ATOM 189 N LYS A 14 -2.878 -12.755 5.186 1.00 0.00 N ATOM 190 CA LYS A 14 -1.761 -13.268 5.973 1.00 0.00 C ATOM 191 C LYS A 14 -0.447 -12.781 5.376 1.00 0.00 C ATOM 192 O LYS A 14 -0.360 -12.536 4.175 1.00 0.00 O ATOM 193 CB LYS A 14 -1.798 -14.798 6.015 1.00 0.00 C ATOM 194 CG LYS A 14 -0.505 -15.432 6.499 1.00 0.00 C ATOM 195 CD LYS A 14 0.364 -15.875 5.336 1.00 0.00 C ATOM 196 CE LYS A 14 1.378 -16.921 5.770 1.00 0.00 C ATOM 197 NZ LYS A 14 2.693 -16.730 5.098 1.00 0.00 N ATOM 0 H LYS A 14 -3.365 -13.463 4.637 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.844 -12.897 6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.612 -15.114 6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.024 -15.174 5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.044 -14.719 7.114 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.733 -16.290 7.132 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.265 -16.282 4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.884 -15.013 4.919 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.512 -16.871 6.851 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.994 -17.915 5.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.439 -17.187 5.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.663 -17.156 4.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.896 -15.713 5.015 1.00 0.00 H new ATOM 211 N ALA A 15 0.571 -12.636 6.209 1.00 0.00 N ATOM 212 CA ALA A 15 1.856 -12.173 5.720 1.00 0.00 C ATOM 213 C ALA A 15 2.431 -13.149 4.719 1.00 0.00 C ATOM 214 O ALA A 15 2.939 -14.213 5.074 1.00 0.00 O ATOM 215 CB ALA A 15 2.830 -11.921 6.860 1.00 0.00 C ATOM 0 H ALA A 15 0.533 -12.829 7.210 1.00 0.00 H new ATOM 0 HA ALA A 15 1.695 -11.221 5.214 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.782 -11.575 6.456 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.421 -11.161 7.526 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.986 -12.845 7.416 1.00 0.00 H new ATOM 221 N GLY A 16 2.318 -12.771 3.463 1.00 0.00 N ATOM 222 CA GLY A 16 2.796 -13.596 2.383 1.00 0.00 C ATOM 223 C GLY A 16 1.727 -13.780 1.338 1.00 0.00 C ATOM 224 O GLY A 16 2.006 -13.814 0.149 1.00 0.00 O ATOM 0 H GLY A 16 1.896 -11.891 3.168 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.677 -13.139 1.932 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.104 -14.567 2.770 1.00 0.00 H new ATOM 228 N SER A 17 0.482 -13.848 1.786 1.00 0.00 N ATOM 229 CA SER A 17 -0.629 -14.003 0.883 1.00 0.00 C ATOM 230 C SER A 17 -0.825 -12.732 0.071 1.00 0.00 C ATOM 231 O SER A 17 -1.818 -12.568 -0.636 1.00 0.00 O ATOM 232 CB SER A 17 -1.876 -14.313 1.695 1.00 0.00 C ATOM 233 OG SER A 17 -1.611 -14.249 3.083 1.00 0.00 O ATOM 0 H SER A 17 0.224 -13.797 2.772 1.00 0.00 H new ATOM 0 HA SER A 17 -0.432 -14.820 0.189 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.665 -13.605 1.440 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.243 -15.306 1.438 1.00 0.00 H new ATOM 0 HG SER A 17 -1.370 -13.331 3.328 1.00 0.00 H new ATOM 239 N PHE A 18 0.138 -11.834 0.174 1.00 0.00 N ATOM 240 CA PHE A 18 0.096 -10.585 -0.525 1.00 0.00 C ATOM 241 C PHE A 18 0.887 -10.688 -1.816 1.00 0.00 C ATOM 242 O PHE A 18 2.046 -10.284 -1.881 1.00 0.00 O ATOM 243 CB PHE A 18 0.686 -9.507 0.356 1.00 0.00 C ATOM 244 CG PHE A 18 -0.164 -9.163 1.543 1.00 0.00 C ATOM 245 CD1 PHE A 18 -1.531 -8.985 1.407 1.00 0.00 C ATOM 246 CD2 PHE A 18 0.400 -9.027 2.798 1.00 0.00 C ATOM 247 CE1 PHE A 18 -2.314 -8.679 2.502 1.00 0.00 C ATOM 248 CE2 PHE A 18 -0.373 -8.717 3.898 1.00 0.00 C ATOM 249 CZ PHE A 18 -1.734 -8.543 3.749 1.00 0.00 C ATOM 0 H PHE A 18 0.970 -11.961 0.750 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.937 -10.335 -0.767 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.666 -9.832 0.705 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.842 -8.608 -0.240 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.989 -9.087 0.434 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.464 -9.166 2.919 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.379 -8.546 2.384 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.085 -8.611 4.871 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.345 -8.301 4.606 1.00 0.00 H new ATOM 259 N ALA A 19 0.253 -11.238 -2.837 1.00 0.00 N ATOM 260 CA ALA A 19 0.903 -11.408 -4.130 1.00 0.00 C ATOM 261 C ALA A 19 1.134 -10.059 -4.799 1.00 0.00 C ATOM 262 O ALA A 19 0.279 -9.177 -4.747 1.00 0.00 O ATOM 263 CB ALA A 19 0.068 -12.308 -5.027 1.00 0.00 C ATOM 0 H ALA A 19 -0.709 -11.575 -2.799 1.00 0.00 H new ATOM 0 HA ALA A 19 1.872 -11.879 -3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.566 -12.426 -5.989 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.048 -13.284 -4.556 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.914 -11.860 -5.179 1.00 0.00 H new ATOM 269 N ASP A 20 2.305 -9.903 -5.425 1.00 0.00 N ATOM 270 CA ASP A 20 2.661 -8.659 -6.105 1.00 0.00 C ATOM 271 C ASP A 20 1.435 -8.031 -6.751 1.00 0.00 C ATOM 272 O ASP A 20 0.583 -8.735 -7.292 1.00 0.00 O ATOM 273 CB ASP A 20 3.736 -8.915 -7.160 1.00 0.00 C ATOM 274 CG ASP A 20 4.071 -7.674 -7.960 1.00 0.00 C ATOM 275 OD1 ASP A 20 3.164 -7.133 -8.627 1.00 0.00 O ATOM 276 OD2 ASP A 20 5.242 -7.239 -7.919 1.00 0.00 O ATOM 0 H ASP A 20 3.022 -10.626 -5.473 1.00 0.00 H new ATOM 0 HA ASP A 20 3.056 -7.966 -5.362 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.638 -9.283 -6.672 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.397 -9.699 -7.837 1.00 0.00 H new ATOM 281 N THR A 21 1.338 -6.709 -6.687 1.00 0.00 N ATOM 282 CA THR A 21 0.200 -6.022 -7.263 1.00 0.00 C ATOM 283 C THR A 21 0.585 -4.625 -7.722 1.00 0.00 C ATOM 284 O THR A 21 1.634 -4.097 -7.353 1.00 0.00 O ATOM 285 CB THR A 21 -0.939 -5.954 -6.248 1.00 0.00 C ATOM 286 OG1 THR A 21 -1.488 -7.241 -6.025 1.00 0.00 O ATOM 287 CG2 THR A 21 -2.072 -5.040 -6.668 1.00 0.00 C ATOM 0 H THR A 21 2.028 -6.101 -6.246 1.00 0.00 H new ATOM 0 HA THR A 21 -0.136 -6.583 -8.135 1.00 0.00 H new ATOM 0 HB THR A 21 -0.489 -5.550 -5.341 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.875 -7.767 -5.470 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.845 -5.041 -5.899 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.692 -4.027 -6.799 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.495 -5.393 -7.608 1.00 0.00 H new ATOM 295 N LYS A 22 -0.271 -4.044 -8.532 1.00 0.00 N ATOM 296 CA LYS A 22 -0.059 -2.715 -9.059 1.00 0.00 C ATOM 297 C LYS A 22 -0.990 -1.714 -8.401 1.00 0.00 C ATOM 298 O LYS A 22 -1.931 -2.083 -7.699 1.00 0.00 O ATOM 299 CB LYS A 22 -0.255 -2.703 -10.576 1.00 0.00 C ATOM 300 CG LYS A 22 0.888 -2.064 -11.338 1.00 0.00 C ATOM 301 CD LYS A 22 0.425 -1.495 -12.669 1.00 0.00 C ATOM 302 CE LYS A 22 1.074 -0.151 -12.956 1.00 0.00 C ATOM 303 NZ LYS A 22 2.558 -0.217 -12.856 1.00 0.00 N ATOM 0 H LYS A 22 -1.137 -4.482 -8.845 1.00 0.00 H new ATOM 0 HA LYS A 22 0.967 -2.424 -8.836 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.383 -3.728 -10.924 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.177 -2.170 -10.809 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.328 -1.269 -10.736 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.670 -2.804 -11.510 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.666 -2.195 -13.469 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.659 -1.382 -12.660 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.792 0.182 -13.955 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.696 0.592 -12.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.981 0.489 -13.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.849 -0.020 -11.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.882 -1.167 -13.129 1.00 0.00 H new ATOM 317 N ILE A 23 -0.703 -0.445 -8.621 1.00 0.00 N ATOM 318 CA ILE A 23 -1.487 0.627 -8.049 1.00 0.00 C ATOM 319 C ILE A 23 -1.446 1.864 -8.942 1.00 0.00 C ATOM 320 O ILE A 23 -0.385 2.448 -9.157 1.00 0.00 O ATOM 321 CB ILE A 23 -0.968 0.969 -6.643 1.00 0.00 C ATOM 322 CG1 ILE A 23 -1.364 -0.129 -5.660 1.00 0.00 C ATOM 323 CG2 ILE A 23 -1.473 2.324 -6.158 1.00 0.00 C ATOM 324 CD1 ILE A 23 -0.929 0.137 -4.237 1.00 0.00 C ATOM 0 H ILE A 23 0.077 -0.132 -9.199 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.522 0.294 -7.974 1.00 0.00 H new ATOM 0 HB ILE A 23 0.119 1.032 -6.699 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.447 -0.249 -5.682 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.932 -1.073 -5.991 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.081 2.523 -5.161 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.137 3.103 -6.842 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.562 2.315 -6.124 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.247 -0.688 -3.599 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.157 0.227 -4.199 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.383 1.064 -3.885 1.00 0.00 H new ATOM 336 N THR A 24 -2.604 2.257 -9.460 1.00 0.00 N ATOM 337 CA THR A 24 -2.691 3.426 -10.323 1.00 0.00 C ATOM 338 C THR A 24 -2.954 4.672 -9.494 1.00 0.00 C ATOM 339 O THR A 24 -4.086 4.939 -9.092 1.00 0.00 O ATOM 340 CB THR A 24 -3.799 3.240 -11.362 1.00 0.00 C ATOM 341 OG1 THR A 24 -4.044 1.866 -11.596 1.00 0.00 O ATOM 342 CG2 THR A 24 -3.484 3.883 -12.695 1.00 0.00 C ATOM 0 H THR A 24 -3.493 1.784 -9.297 1.00 0.00 H new ATOM 0 HA THR A 24 -1.741 3.545 -10.844 1.00 0.00 H new ATOM 0 HB THR A 24 -4.675 3.730 -10.938 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.483 1.474 -10.812 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.311 3.713 -13.385 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.340 4.955 -12.557 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.574 3.445 -13.104 1.00 0.00 H new ATOM 350 N LEU A 25 -1.896 5.428 -9.226 1.00 0.00 N ATOM 351 CA LEU A 25 -1.997 6.633 -8.435 1.00 0.00 C ATOM 352 C LEU A 25 -2.429 7.821 -9.292 1.00 0.00 C ATOM 353 O LEU A 25 -1.674 8.291 -10.138 1.00 0.00 O ATOM 354 CB LEU A 25 -0.646 6.896 -7.792 1.00 0.00 C ATOM 355 CG LEU A 25 -0.483 6.310 -6.390 1.00 0.00 C ATOM 356 CD1 LEU A 25 0.853 6.719 -5.796 1.00 0.00 C ATOM 357 CD2 LEU A 25 -1.627 6.752 -5.493 1.00 0.00 C ATOM 0 H LEU A 25 -0.952 5.219 -9.552 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.757 6.501 -7.665 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.133 6.487 -8.435 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.486 7.973 -7.742 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.507 5.223 -6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.953 6.293 -4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.661 6.352 -6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.906 7.806 -5.734 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.495 6.326 -4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.635 7.840 -5.423 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.572 6.408 -5.913 1.00 0.00 H new ATOM 369 N THR A 26 -3.650 8.293 -9.069 1.00 0.00 N ATOM 370 CA THR A 26 -4.185 9.419 -9.829 1.00 0.00 C ATOM 371 C THR A 26 -3.467 10.715 -9.466 1.00 0.00 C ATOM 372 O THR A 26 -3.630 11.238 -8.359 1.00 0.00 O ATOM 373 CB THR A 26 -5.685 9.567 -9.577 1.00 0.00 C ATOM 374 OG1 THR A 26 -6.344 8.323 -9.739 1.00 0.00 O ATOM 375 CG2 THR A 26 -6.349 10.565 -10.500 1.00 0.00 C ATOM 0 H THR A 26 -4.288 7.915 -8.369 1.00 0.00 H new ATOM 0 HA THR A 26 -4.019 9.218 -10.887 1.00 0.00 H new ATOM 0 HB THR A 26 -5.774 9.930 -8.553 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.262 8.477 -10.047 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.413 10.623 -10.269 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.894 11.546 -10.363 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.219 10.246 -11.534 1.00 0.00 H new ATOM 383 N PRO A 27 -2.663 11.244 -10.408 1.00 0.00 N ATOM 384 CA PRO A 27 -1.895 12.479 -10.234 1.00 0.00 C ATOM 385 C PRO A 27 -2.632 13.695 -10.767 1.00 0.00 C ATOM 386 O PRO A 27 -2.084 14.787 -10.799 1.00 0.00 O ATOM 387 CB PRO A 27 -0.694 12.194 -11.111 1.00 0.00 C ATOM 388 CG PRO A 27 -1.298 11.514 -12.291 1.00 0.00 C ATOM 389 CD PRO A 27 -2.428 10.672 -11.748 1.00 0.00 C ATOM 0 HA PRO A 27 -1.680 12.708 -9.190 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.174 13.109 -11.394 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.033 11.558 -10.606 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.665 12.241 -13.015 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.562 10.896 -12.805 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.317 10.739 -12.375 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.154 9.618 -11.693 1.00 0.00 H new ATOM 397 N ASN A 28 -3.860 13.451 -11.209 1.00 0.00 N ATOM 398 CA ASN A 28 -4.747 14.434 -11.797 1.00 0.00 C ATOM 399 C ASN A 28 -4.610 15.776 -11.121 1.00 0.00 C ATOM 400 O ASN A 28 -5.517 16.269 -10.447 1.00 0.00 O ATOM 401 CB ASN A 28 -6.194 13.952 -11.708 1.00 0.00 C ATOM 402 CG ASN A 28 -7.024 14.385 -12.899 1.00 0.00 C ATOM 403 OD1 ASN A 28 -6.966 15.539 -13.324 1.00 0.00 O ATOM 404 ND2 ASN A 28 -7.806 13.460 -13.444 1.00 0.00 N ATOM 0 H ASN A 28 -4.278 12.522 -11.163 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.467 14.554 -12.844 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -6.208 12.864 -11.636 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.646 14.338 -10.794 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.390 13.694 -14.247 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.823 12.515 -13.059 1.00 0.00 H new ATOM 411 N GLY A 29 -3.452 16.342 -11.327 1.00 0.00 N ATOM 412 CA GLY A 29 -3.115 17.635 -10.767 1.00 0.00 C ATOM 413 C GLY A 29 -2.122 17.527 -9.629 1.00 0.00 C ATOM 414 O GLY A 29 -1.413 18.485 -9.314 1.00 0.00 O ATOM 0 H GLY A 29 -2.710 15.924 -11.888 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.700 18.270 -11.549 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.023 18.121 -10.409 1.00 0.00 H new ATOM 418 N ASN A 30 -2.076 16.356 -9.014 1.00 0.00 N ATOM 419 CA ASN A 30 -1.176 16.094 -7.904 1.00 0.00 C ATOM 420 C ASN A 30 -0.037 15.181 -8.336 1.00 0.00 C ATOM 421 O ASN A 30 -0.111 14.529 -9.377 1.00 0.00 O ATOM 422 CB ASN A 30 -1.948 15.451 -6.752 1.00 0.00 C ATOM 423 CG ASN A 30 -3.453 15.576 -6.923 1.00 0.00 C ATOM 424 OD1 ASN A 30 -4.071 16.493 -6.389 1.00 0.00 O ATOM 425 ND2 ASN A 30 -4.046 14.662 -7.680 1.00 0.00 N ATOM 0 H ASN A 30 -2.662 15.561 -9.271 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.752 17.042 -7.572 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.679 14.397 -6.682 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.651 15.919 -5.813 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.053 14.705 -7.837 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.495 13.916 -8.105 1.00 0.00 H new ATOM 432 N THR A 31 1.016 15.134 -7.529 1.00 0.00 N ATOM 433 CA THR A 31 2.169 14.299 -7.829 1.00 0.00 C ATOM 434 C THR A 31 2.501 13.395 -6.646 1.00 0.00 C ATOM 435 O THR A 31 2.145 13.690 -5.506 1.00 0.00 O ATOM 436 CB THR A 31 3.382 15.155 -8.183 1.00 0.00 C ATOM 437 OG1 THR A 31 4.533 14.344 -8.339 1.00 0.00 O ATOM 438 CG2 THR A 31 3.697 16.205 -7.141 1.00 0.00 C ATOM 0 H THR A 31 1.094 15.665 -6.662 1.00 0.00 H new ATOM 0 HA THR A 31 1.917 13.678 -8.688 1.00 0.00 H new ATOM 0 HB THR A 31 3.123 15.659 -9.114 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.302 14.907 -8.567 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.570 16.778 -7.454 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.844 16.874 -7.030 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.905 15.720 -6.187 1.00 0.00 H new ATOM 446 N PHE A 32 3.183 12.295 -6.931 1.00 0.00 N ATOM 447 CA PHE A 32 3.565 11.342 -5.897 1.00 0.00 C ATOM 448 C PHE A 32 5.047 11.463 -5.557 1.00 0.00 C ATOM 449 O PHE A 32 5.884 11.652 -6.440 1.00 0.00 O ATOM 450 CB PHE A 32 3.247 9.916 -6.348 1.00 0.00 C ATOM 451 CG PHE A 32 3.630 8.871 -5.341 1.00 0.00 C ATOM 452 CD1 PHE A 32 3.368 9.058 -3.992 1.00 0.00 C ATOM 453 CD2 PHE A 32 4.256 7.702 -5.740 1.00 0.00 C ATOM 454 CE1 PHE A 32 3.721 8.099 -3.064 1.00 0.00 C ATOM 455 CE2 PHE A 32 4.610 6.737 -4.817 1.00 0.00 C ATOM 456 CZ PHE A 32 4.343 6.936 -3.476 1.00 0.00 C ATOM 0 H PHE A 32 3.484 12.039 -7.871 1.00 0.00 H new ATOM 0 HA PHE A 32 2.990 11.571 -5.000 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.179 9.838 -6.553 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.767 9.715 -7.285 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.882 9.965 -3.664 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.470 7.543 -6.786 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.511 8.258 -2.017 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.095 5.829 -5.143 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.620 6.184 -2.752 1.00 0.00 H new ATOM 466 N ASN A 33 5.363 11.348 -4.271 1.00 0.00 N ATOM 467 CA ASN A 33 6.744 11.440 -3.812 1.00 0.00 C ATOM 468 C ASN A 33 7.291 10.058 -3.464 1.00 0.00 C ATOM 469 O ASN A 33 8.429 9.728 -3.800 1.00 0.00 O ATOM 470 CB ASN A 33 6.839 12.361 -2.594 1.00 0.00 C ATOM 471 CG ASN A 33 7.754 13.544 -2.835 1.00 0.00 C ATOM 472 OD1 ASN A 33 8.742 13.443 -3.563 1.00 0.00 O ATOM 473 ND2 ASN A 33 7.430 14.678 -2.224 1.00 0.00 N ATOM 0 H ASN A 33 4.681 11.191 -3.529 1.00 0.00 H new ATOM 0 HA ASN A 33 7.344 11.858 -4.620 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.843 12.722 -2.336 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.203 11.792 -1.739 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.009 15.508 -2.350 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.602 14.718 -1.629 1.00 0.00 H new ATOM 480 N GLY A 34 6.474 9.257 -2.789 1.00 0.00 N ATOM 481 CA GLY A 34 6.891 7.921 -2.408 1.00 0.00 C ATOM 482 C GLY A 34 6.129 7.393 -1.207 1.00 0.00 C ATOM 483 O GLY A 34 5.285 8.093 -0.644 1.00 0.00 O ATOM 0 H GLY A 34 5.529 9.510 -2.499 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.747 7.245 -3.251 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.958 7.927 -2.183 1.00 0.00 H new ATOM 487 N ILE A 35 6.408 6.151 -0.826 1.00 0.00 N ATOM 488 CA ILE A 35 5.746 5.527 0.285 1.00 0.00 C ATOM 489 C ILE A 35 6.695 5.307 1.453 1.00 0.00 C ATOM 490 O ILE A 35 7.391 4.293 1.540 1.00 0.00 O ATOM 491 CB ILE A 35 5.156 4.201 -0.135 1.00 0.00 C ATOM 492 CG1 ILE A 35 4.357 3.614 0.992 1.00 0.00 C ATOM 493 CG2 ILE A 35 6.240 3.233 -0.579 1.00 0.00 C ATOM 494 CD1 ILE A 35 3.417 2.523 0.552 1.00 0.00 C ATOM 0 H ILE A 35 7.100 5.560 -1.286 1.00 0.00 H new ATOM 0 HA ILE A 35 4.952 6.199 0.610 1.00 0.00 H new ATOM 0 HB ILE A 35 4.496 4.375 -0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.039 3.215 1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.783 4.406 1.472 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.785 2.288 -0.875 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.781 3.656 -1.425 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.933 3.060 0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.871 2.143 1.415 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.711 2.923 -0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.987 1.713 0.098 1.00 0.00 H new ATOM 506 N SER A 36 6.698 6.265 2.349 1.00 0.00 N ATOM 507 CA SER A 36 7.557 6.207 3.530 1.00 0.00 C ATOM 508 C SER A 36 7.146 5.065 4.439 1.00 0.00 C ATOM 509 O SER A 36 7.991 4.447 5.087 1.00 0.00 O ATOM 510 CB SER A 36 7.515 7.533 4.292 1.00 0.00 C ATOM 511 OG SER A 36 6.349 7.629 5.089 1.00 0.00 O ATOM 0 H SER A 36 6.117 7.101 2.291 1.00 0.00 H new ATOM 0 HA SER A 36 8.579 6.030 3.196 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.399 7.620 4.924 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.545 8.363 3.586 1.00 0.00 H new ATOM 0 HG SER A 36 6.349 8.485 5.566 1.00 0.00 H new ATOM 517 N GLU A 37 5.858 4.758 4.464 1.00 0.00 N ATOM 518 CA GLU A 37 5.384 3.658 5.271 1.00 0.00 C ATOM 519 C GLU A 37 6.179 2.414 4.903 1.00 0.00 C ATOM 520 O GLU A 37 6.354 1.500 5.709 1.00 0.00 O ATOM 521 CB GLU A 37 3.892 3.450 5.041 1.00 0.00 C ATOM 522 CG GLU A 37 3.131 3.055 6.294 1.00 0.00 C ATOM 523 CD GLU A 37 1.706 3.573 6.290 1.00 0.00 C ATOM 524 OE1 GLU A 37 1.171 3.821 5.189 1.00 0.00 O ATOM 525 OE2 GLU A 37 1.127 3.728 7.386 1.00 0.00 O ATOM 0 H GLU A 37 5.135 5.251 3.940 1.00 0.00 H new ATOM 0 HA GLU A 37 5.527 3.872 6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.463 4.369 4.641 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.754 2.678 4.284 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.120 1.969 6.382 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.653 3.441 7.170 1.00 0.00 H new ATOM 532 N LEU A 38 6.686 2.414 3.667 1.00 0.00 N ATOM 533 CA LEU A 38 7.493 1.332 3.158 1.00 0.00 C ATOM 534 C LEU A 38 8.519 1.889 2.164 1.00 0.00 C ATOM 535 O LEU A 38 8.226 2.056 0.985 1.00 0.00 O ATOM 536 CB LEU A 38 6.616 0.267 2.495 1.00 0.00 C ATOM 537 CG LEU A 38 5.106 0.421 2.701 1.00 0.00 C ATOM 538 CD1 LEU A 38 4.346 -0.405 1.678 1.00 0.00 C ATOM 539 CD2 LEU A 38 4.717 0.014 4.111 1.00 0.00 C ATOM 0 H LEU A 38 6.541 3.172 3.000 1.00 0.00 H new ATOM 0 HA LEU A 38 8.019 0.857 3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.819 0.272 1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.917 -0.710 2.872 1.00 0.00 H new ATOM 0 HG LEU A 38 4.843 1.470 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.274 -0.285 1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.604 -0.068 0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.614 -1.456 1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.641 0.130 4.239 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.992 -1.027 4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.238 0.647 4.829 1.00 0.00 H new ATOM 551 N GLN A 39 9.708 2.207 2.677 1.00 0.00 N ATOM 552 CA GLN A 39 10.787 2.788 1.900 1.00 0.00 C ATOM 553 C GLN A 39 10.743 2.334 0.461 1.00 0.00 C ATOM 554 O GLN A 39 11.327 1.331 0.063 1.00 0.00 O ATOM 555 CB GLN A 39 12.141 2.434 2.518 1.00 0.00 C ATOM 556 CG GLN A 39 12.176 2.572 4.031 1.00 0.00 C ATOM 557 CD GLN A 39 11.626 3.901 4.509 1.00 0.00 C ATOM 558 OE1 GLN A 39 11.885 4.944 3.910 1.00 0.00 O ATOM 559 NE2 GLN A 39 10.860 3.871 5.594 1.00 0.00 N ATOM 0 H GLN A 39 9.945 2.064 3.659 1.00 0.00 H new ATOM 0 HA GLN A 39 10.657 3.870 1.916 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.396 1.409 2.249 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.907 3.077 2.085 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.600 1.762 4.479 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.203 2.462 4.378 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.670 2.984 6.060 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.461 4.735 5.961 1.00 0.00 H new ATOM 568 N SER A 40 10.015 3.147 -0.271 1.00 0.00 N ATOM 569 CA SER A 40 9.760 3.014 -1.713 1.00 0.00 C ATOM 570 C SER A 40 10.324 1.739 -2.312 1.00 0.00 C ATOM 571 O SER A 40 9.668 1.078 -3.103 1.00 0.00 O ATOM 572 CB SER A 40 10.330 4.224 -2.456 1.00 0.00 C ATOM 573 OG SER A 40 9.585 5.396 -2.167 1.00 0.00 O ATOM 0 H SER A 40 9.556 3.964 0.131 1.00 0.00 H new ATOM 0 HA SER A 40 8.678 2.966 -1.831 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.372 4.372 -2.172 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.316 4.036 -3.529 1.00 0.00 H new ATOM 0 HG SER A 40 8.665 5.286 -2.487 1.00 0.00 H new ATOM 579 N SER A 41 11.536 1.398 -1.944 1.00 0.00 N ATOM 580 CA SER A 41 12.158 0.187 -2.465 1.00 0.00 C ATOM 581 C SER A 41 11.184 -0.985 -2.371 1.00 0.00 C ATOM 582 O SER A 41 11.269 -1.945 -3.137 1.00 0.00 O ATOM 583 CB SER A 41 13.450 -0.121 -1.708 1.00 0.00 C ATOM 584 OG SER A 41 13.528 -1.491 -1.354 1.00 0.00 O ATOM 0 H SER A 41 12.113 1.931 -1.293 1.00 0.00 H new ATOM 0 HA SER A 41 12.410 0.346 -3.514 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.308 0.146 -2.325 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.501 0.492 -0.808 1.00 0.00 H new ATOM 0 HG SER A 41 14.365 -1.657 -0.873 1.00 0.00 H new ATOM 590 N GLN A 42 10.260 -0.889 -1.423 1.00 0.00 N ATOM 591 CA GLN A 42 9.256 -1.902 -1.194 1.00 0.00 C ATOM 592 C GLN A 42 8.401 -2.148 -2.434 1.00 0.00 C ATOM 593 O GLN A 42 7.934 -3.263 -2.678 1.00 0.00 O ATOM 594 CB GLN A 42 8.394 -1.419 -0.044 1.00 0.00 C ATOM 595 CG GLN A 42 9.076 -1.527 1.298 1.00 0.00 C ATOM 596 CD GLN A 42 10.480 -0.955 1.325 1.00 0.00 C ATOM 597 OE1 GLN A 42 10.715 0.099 1.908 1.00 0.00 O ATOM 598 NE2 GLN A 42 11.424 -1.660 0.713 1.00 0.00 N ATOM 0 H GLN A 42 10.192 -0.094 -0.788 1.00 0.00 H new ATOM 0 HA GLN A 42 9.736 -2.852 -0.959 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.115 -0.380 -0.220 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.471 -1.998 -0.023 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.471 -1.012 2.044 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.117 -2.576 1.590 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.184 -2.531 0.240 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.389 -1.330 0.716 1.00 0.00 H new ATOM 607 N TYR A 43 8.196 -1.094 -3.201 1.00 0.00 N ATOM 608 CA TYR A 43 7.390 -1.169 -4.420 1.00 0.00 C ATOM 609 C TYR A 43 8.141 -0.643 -5.634 1.00 0.00 C ATOM 610 O TYR A 43 9.335 -0.352 -5.574 1.00 0.00 O ATOM 611 CB TYR A 43 6.059 -0.421 -4.244 1.00 0.00 C ATOM 612 CG TYR A 43 6.181 1.061 -3.971 1.00 0.00 C ATOM 613 CD1 TYR A 43 7.379 1.740 -4.150 1.00 0.00 C ATOM 614 CD2 TYR A 43 5.080 1.786 -3.527 1.00 0.00 C ATOM 615 CE1 TYR A 43 7.480 3.093 -3.895 1.00 0.00 C ATOM 616 CE2 TYR A 43 5.174 3.141 -3.273 1.00 0.00 C ATOM 617 CZ TYR A 43 6.374 3.789 -3.457 1.00 0.00 C ATOM 618 OH TYR A 43 6.472 5.137 -3.196 1.00 0.00 O ATOM 0 H TYR A 43 8.576 -0.168 -3.006 1.00 0.00 H new ATOM 0 HA TYR A 43 7.177 -2.223 -4.598 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.462 -0.560 -5.145 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.509 -0.881 -3.423 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.248 1.200 -4.495 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.137 1.282 -3.378 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.421 3.603 -4.038 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.309 3.690 -2.931 1.00 0.00 H new ATOM 0 HH TYR A 43 5.847 5.628 -3.770 1.00 0.00 H new ATOM 628 N THR A 44 7.415 -0.535 -6.736 1.00 0.00 N ATOM 629 CA THR A 44 7.966 -0.056 -7.991 1.00 0.00 C ATOM 630 C THR A 44 7.038 0.974 -8.610 1.00 0.00 C ATOM 631 O THR A 44 6.155 0.647 -9.402 1.00 0.00 O ATOM 632 CB THR A 44 8.176 -1.221 -8.962 1.00 0.00 C ATOM 633 OG1 THR A 44 8.592 -2.381 -8.269 1.00 0.00 O ATOM 634 CG2 THR A 44 9.206 -0.930 -10.031 1.00 0.00 C ATOM 0 H THR A 44 6.425 -0.778 -6.784 1.00 0.00 H new ATOM 0 HA THR A 44 8.931 0.410 -7.790 1.00 0.00 H new ATOM 0 HB THR A 44 7.210 -1.374 -9.443 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.719 -3.115 -8.906 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.306 -1.796 -10.685 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.888 -0.068 -10.617 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.167 -0.716 -9.562 1.00 0.00 H new ATOM 642 N LYS A 45 7.241 2.224 -8.220 1.00 0.00 N ATOM 643 CA LYS A 45 6.428 3.330 -8.711 1.00 0.00 C ATOM 644 C LYS A 45 6.697 3.613 -10.184 1.00 0.00 C ATOM 645 O LYS A 45 7.667 3.122 -10.761 1.00 0.00 O ATOM 646 CB LYS A 45 6.680 4.603 -7.893 1.00 0.00 C ATOM 647 CG LYS A 45 7.596 4.423 -6.694 1.00 0.00 C ATOM 648 CD LYS A 45 9.062 4.466 -7.096 1.00 0.00 C ATOM 649 CE LYS A 45 9.862 3.375 -6.405 1.00 0.00 C ATOM 650 NZ LYS A 45 10.773 2.668 -7.351 1.00 0.00 N ATOM 0 H LYS A 45 7.968 2.500 -7.560 1.00 0.00 H new ATOM 0 HA LYS A 45 5.386 3.032 -8.599 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.109 5.360 -8.549 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.722 4.989 -7.545 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.396 5.206 -5.962 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.379 3.471 -6.210 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.147 4.352 -8.177 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.481 5.440 -6.844 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.447 3.812 -5.596 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.179 2.656 -5.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.300 1.932 -6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.213 2.229 -8.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.442 3.349 -7.764 1.00 0.00 H new ATOM 664 N GLY A 46 5.820 4.413 -10.777 1.00 0.00 N ATOM 665 CA GLY A 46 5.945 4.773 -12.173 1.00 0.00 C ATOM 666 C GLY A 46 4.878 5.763 -12.599 1.00 0.00 C ATOM 667 O GLY A 46 3.821 5.368 -13.093 1.00 0.00 O ATOM 0 H GLY A 46 5.014 4.823 -10.306 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.931 5.203 -12.350 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.874 3.875 -12.787 1.00 0.00 H new ATOM 671 N THR A 47 5.157 7.051 -12.396 1.00 0.00 N ATOM 672 CA THR A 47 4.227 8.127 -12.752 1.00 0.00 C ATOM 673 C THR A 47 2.780 7.639 -12.789 1.00 0.00 C ATOM 674 O THR A 47 2.332 7.078 -13.787 1.00 0.00 O ATOM 675 CB THR A 47 4.607 8.723 -14.108 1.00 0.00 C ATOM 676 OG1 THR A 47 3.651 9.687 -14.515 1.00 0.00 O ATOM 677 CG2 THR A 47 4.715 7.690 -15.207 1.00 0.00 C ATOM 0 H THR A 47 6.030 7.378 -11.982 1.00 0.00 H new ATOM 0 HA THR A 47 4.301 8.893 -11.980 1.00 0.00 H new ATOM 0 HB THR A 47 5.588 9.175 -13.962 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.911 10.059 -15.384 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.987 8.180 -16.142 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.479 6.958 -14.945 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.756 7.186 -15.328 1.00 0.00 H new ATOM 685 N ASN A 48 2.059 7.865 -11.693 1.00 0.00 N ATOM 686 CA ASN A 48 0.660 7.453 -11.586 1.00 0.00 C ATOM 687 C ASN A 48 0.534 5.942 -11.409 1.00 0.00 C ATOM 688 O ASN A 48 -0.567 5.420 -11.275 1.00 0.00 O ATOM 689 CB ASN A 48 -0.132 7.905 -12.815 1.00 0.00 C ATOM 690 CG ASN A 48 -1.481 7.227 -12.933 1.00 0.00 C ATOM 691 OD1 ASN A 48 -2.450 7.624 -12.287 1.00 0.00 O ATOM 692 ND2 ASN A 48 -1.551 6.193 -13.762 1.00 0.00 N ATOM 0 H ASN A 48 2.422 8.333 -10.863 1.00 0.00 H new ATOM 0 HA ASN A 48 0.245 7.934 -10.700 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.277 8.984 -12.770 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.452 7.699 -13.712 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.433 5.695 -13.882 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.723 5.897 -14.279 1.00 0.00 H new ATOM 699 N GLU A 49 1.658 5.236 -11.412 1.00 0.00 N ATOM 700 CA GLU A 49 1.633 3.795 -11.250 1.00 0.00 C ATOM 701 C GLU A 49 2.540 3.354 -10.114 1.00 0.00 C ATOM 702 O GLU A 49 3.599 3.928 -9.895 1.00 0.00 O ATOM 703 CB GLU A 49 2.067 3.103 -12.535 1.00 0.00 C ATOM 704 CG GLU A 49 1.257 3.508 -13.756 1.00 0.00 C ATOM 705 CD GLU A 49 1.237 2.436 -14.826 1.00 0.00 C ATOM 706 OE1 GLU A 49 2.325 2.074 -15.324 1.00 0.00 O ATOM 707 OE2 GLU A 49 0.135 1.957 -15.166 1.00 0.00 O ATOM 0 H GLU A 49 2.589 5.637 -11.524 1.00 0.00 H new ATOM 0 HA GLU A 49 0.608 3.511 -11.013 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.118 3.325 -12.718 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.988 2.024 -12.400 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.234 3.730 -13.451 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.672 4.425 -14.174 1.00 0.00 H new ATOM 714 N VAL A 50 2.121 2.326 -9.400 1.00 0.00 N ATOM 715 CA VAL A 50 2.907 1.799 -8.294 1.00 0.00 C ATOM 716 C VAL A 50 2.620 0.322 -8.071 1.00 0.00 C ATOM 717 O VAL A 50 1.494 -0.056 -7.754 1.00 0.00 O ATOM 718 CB VAL A 50 2.663 2.572 -6.983 1.00 0.00 C ATOM 719 CG1 VAL A 50 3.984 3.060 -6.408 1.00 0.00 C ATOM 720 CG2 VAL A 50 1.707 3.737 -7.199 1.00 0.00 C ATOM 0 H VAL A 50 1.241 1.837 -9.564 1.00 0.00 H new ATOM 0 HA VAL A 50 3.953 1.926 -8.574 1.00 0.00 H new ATOM 0 HB VAL A 50 2.199 1.892 -6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.799 3.605 -5.482 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.630 2.206 -6.204 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.472 3.720 -7.126 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.555 4.262 -6.256 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.130 4.423 -7.933 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.751 3.361 -7.563 1.00 0.00 H new ATOM 730 N THR A 51 3.638 -0.504 -8.245 1.00 0.00 N ATOM 731 CA THR A 51 3.481 -1.943 -8.063 1.00 0.00 C ATOM 732 C THR A 51 4.274 -2.438 -6.864 1.00 0.00 C ATOM 733 O THR A 51 5.488 -2.257 -6.793 1.00 0.00 O ATOM 734 CB THR A 51 3.927 -2.685 -9.323 1.00 0.00 C ATOM 735 OG1 THR A 51 3.414 -2.058 -10.483 1.00 0.00 O ATOM 736 CG2 THR A 51 3.492 -4.133 -9.353 1.00 0.00 C ATOM 0 H THR A 51 4.578 -0.209 -8.510 1.00 0.00 H new ATOM 0 HA THR A 51 2.426 -2.144 -7.879 1.00 0.00 H new ATOM 0 HB THR A 51 5.016 -2.651 -9.305 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.837 -2.445 -11.278 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.842 -4.599 -10.274 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.916 -4.658 -8.497 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.404 -4.187 -9.309 1.00 0.00 H new ATOM 744 N LEU A 52 3.585 -3.076 -5.923 1.00 0.00 N ATOM 745 CA LEU A 52 4.248 -3.603 -4.740 1.00 0.00 C ATOM 746 C LEU A 52 4.646 -5.054 -4.960 1.00 0.00 C ATOM 747 O LEU A 52 3.964 -5.794 -5.673 1.00 0.00 O ATOM 748 CB LEU A 52 3.378 -3.475 -3.484 1.00 0.00 C ATOM 749 CG LEU A 52 1.861 -3.462 -3.680 1.00 0.00 C ATOM 750 CD1 LEU A 52 1.400 -2.191 -4.377 1.00 0.00 C ATOM 751 CD2 LEU A 52 1.403 -4.700 -4.423 1.00 0.00 C ATOM 0 H LEU A 52 2.579 -3.238 -5.957 1.00 0.00 H new ATOM 0 HA LEU A 52 5.144 -3.004 -4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.625 -4.301 -2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.660 -2.556 -2.971 1.00 0.00 H new ATOM 0 HG LEU A 52 1.397 -3.474 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.317 -2.216 -4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.677 -1.325 -3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.875 -2.120 -5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.321 -4.668 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.883 -4.736 -5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.675 -5.588 -3.853 1.00 0.00 H new ATOM 763 N LEU A 53 5.763 -5.454 -4.361 1.00 0.00 N ATOM 764 CA LEU A 53 6.250 -6.814 -4.521 1.00 0.00 C ATOM 765 C LEU A 53 5.925 -7.683 -3.312 1.00 0.00 C ATOM 766 O LEU A 53 6.334 -7.401 -2.184 1.00 0.00 O ATOM 767 CB LEU A 53 7.759 -6.813 -4.776 1.00 0.00 C ATOM 768 CG LEU A 53 8.266 -5.667 -5.653 1.00 0.00 C ATOM 769 CD1 LEU A 53 9.394 -4.923 -4.957 1.00 0.00 C ATOM 770 CD2 LEU A 53 8.726 -6.196 -7.003 1.00 0.00 C ATOM 0 H LEU A 53 6.341 -4.860 -3.766 1.00 0.00 H new ATOM 0 HA LEU A 53 5.738 -7.242 -5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.274 -6.771 -3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.034 -7.758 -5.245 1.00 0.00 H new ATOM 0 HG LEU A 53 7.446 -4.968 -5.818 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.743 -4.111 -5.595 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.032 -4.513 -4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.217 -5.610 -4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.084 -5.368 -7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.533 -6.914 -6.857 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.892 -6.685 -7.506 1.00 0.00 H new ATOM 782 N ALA A 54 5.201 -8.765 -3.569 1.00 0.00 N ATOM 783 CA ALA A 54 4.821 -9.709 -2.529 1.00 0.00 C ATOM 784 C ALA A 54 6.004 -10.098 -1.649 1.00 0.00 C ATOM 785 O ALA A 54 5.827 -10.751 -0.629 1.00 0.00 O ATOM 786 CB ALA A 54 4.215 -10.953 -3.157 1.00 0.00 C ATOM 0 H ALA A 54 4.863 -9.011 -4.499 1.00 0.00 H new ATOM 0 HA ALA A 54 4.084 -9.218 -1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.933 -11.656 -2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.331 -10.677 -3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.946 -11.420 -3.817 1.00 0.00 H new ATOM 792 N SER A 55 7.209 -9.703 -2.042 1.00 0.00 N ATOM 793 CA SER A 55 8.402 -10.032 -1.277 1.00 0.00 C ATOM 794 C SER A 55 8.443 -9.254 0.027 1.00 0.00 C ATOM 795 O SER A 55 8.752 -9.807 1.081 1.00 0.00 O ATOM 796 CB SER A 55 9.662 -9.748 -2.097 1.00 0.00 C ATOM 797 OG SER A 55 9.705 -8.395 -2.514 1.00 0.00 O ATOM 0 H SER A 55 7.384 -9.156 -2.885 1.00 0.00 H new ATOM 0 HA SER A 55 8.367 -11.096 -1.043 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.546 -9.977 -1.502 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.687 -10.401 -2.969 1.00 0.00 H new ATOM 0 HG SER A 55 10.520 -8.239 -3.035 1.00 0.00 H new ATOM 803 N TYR A 56 8.124 -7.971 -0.049 1.00 0.00 N ATOM 804 CA TYR A 56 8.120 -7.121 1.127 1.00 0.00 C ATOM 805 C TYR A 56 6.856 -7.344 1.936 1.00 0.00 C ATOM 806 O TYR A 56 6.903 -7.602 3.145 1.00 0.00 O ATOM 807 CB TYR A 56 8.215 -5.654 0.724 1.00 0.00 C ATOM 808 CG TYR A 56 8.467 -4.728 1.890 1.00 0.00 C ATOM 809 CD1 TYR A 56 9.704 -4.695 2.518 1.00 0.00 C ATOM 810 CD2 TYR A 56 7.469 -3.885 2.356 1.00 0.00 C ATOM 811 CE1 TYR A 56 9.939 -3.846 3.586 1.00 0.00 C ATOM 812 CE2 TYR A 56 7.697 -3.034 3.420 1.00 0.00 C ATOM 813 CZ TYR A 56 8.934 -3.018 4.030 1.00 0.00 C ATOM 814 OH TYR A 56 9.163 -2.171 5.091 1.00 0.00 O ATOM 0 H TYR A 56 7.865 -7.497 -0.914 1.00 0.00 H new ATOM 0 HA TYR A 56 8.985 -7.380 1.737 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.017 -5.536 -0.004 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.289 -5.360 0.229 1.00 0.00 H new ATOM 0 HD1 TYR A 56 10.495 -5.341 2.168 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.500 -3.894 1.880 1.00 0.00 H new ATOM 0 HE1 TYR A 56 10.906 -3.834 4.068 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.910 -2.384 3.773 1.00 0.00 H new ATOM 0 HH TYR A 56 8.352 -1.654 5.278 1.00 0.00 H new ATOM 824 N LEU A 57 5.719 -7.255 1.260 1.00 0.00 N ATOM 825 CA LEU A 57 4.444 -7.462 1.932 1.00 0.00 C ATOM 826 C LEU A 57 4.439 -8.825 2.591 1.00 0.00 C ATOM 827 O LEU A 57 3.880 -9.004 3.667 1.00 0.00 O ATOM 828 CB LEU A 57 3.258 -7.339 0.967 1.00 0.00 C ATOM 829 CG LEU A 57 3.618 -7.035 -0.477 1.00 0.00 C ATOM 830 CD1 LEU A 57 2.398 -7.168 -1.373 1.00 0.00 C ATOM 831 CD2 LEU A 57 4.212 -5.638 -0.595 1.00 0.00 C ATOM 0 H LEU A 57 5.652 -7.045 0.264 1.00 0.00 H new ATOM 0 HA LEU A 57 4.330 -6.683 2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.692 -8.270 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.596 -6.553 1.331 1.00 0.00 H new ATOM 0 HG LEU A 57 4.365 -7.759 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.677 -6.946 -2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.012 -8.185 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.629 -6.468 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.464 -5.437 -1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.485 -4.903 -0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.113 -5.573 0.016 1.00 0.00 H new ATOM 843 N ASN A 58 5.076 -9.792 1.940 1.00 0.00 N ATOM 844 CA ASN A 58 5.153 -11.134 2.487 1.00 0.00 C ATOM 845 C ASN A 58 5.988 -11.155 3.764 1.00 0.00 C ATOM 846 O ASN A 58 5.871 -12.069 4.580 1.00 0.00 O ATOM 847 CB ASN A 58 5.748 -12.107 1.468 1.00 0.00 C ATOM 848 CG ASN A 58 6.034 -13.472 2.061 1.00 0.00 C ATOM 849 OD1 ASN A 58 5.396 -13.886 3.031 1.00 0.00 O ATOM 850 ND2 ASN A 58 6.997 -14.180 1.483 1.00 0.00 N ATOM 0 H ASN A 58 5.542 -9.670 1.041 1.00 0.00 H new ATOM 0 HA ASN A 58 4.137 -11.450 2.724 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.059 -12.216 0.631 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.672 -11.688 1.068 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.234 -15.106 1.840 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.500 -13.798 0.682 1.00 0.00 H new ATOM 857 N THR A 59 6.862 -10.159 3.910 1.00 0.00 N ATOM 858 CA THR A 59 7.748 -10.089 5.067 1.00 0.00 C ATOM 859 C THR A 59 7.341 -9.011 6.069 1.00 0.00 C ATOM 860 O THR A 59 7.915 -8.935 7.155 1.00 0.00 O ATOM 861 CB THR A 59 9.183 -9.841 4.607 1.00 0.00 C ATOM 862 OG1 THR A 59 9.540 -10.735 3.568 1.00 0.00 O ATOM 863 CG2 THR A 59 10.204 -9.995 5.716 1.00 0.00 C ATOM 0 H THR A 59 6.974 -9.394 3.244 1.00 0.00 H new ATOM 0 HA THR A 59 7.671 -11.048 5.579 1.00 0.00 H new ATOM 0 HB THR A 59 9.199 -8.807 4.261 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.243 -10.372 2.708 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.202 -9.805 5.321 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.987 -9.282 6.512 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.158 -11.009 6.114 1.00 0.00 H new ATOM 871 N LEU A 60 6.357 -8.176 5.726 1.00 0.00 N ATOM 872 CA LEU A 60 5.923 -7.133 6.636 1.00 0.00 C ATOM 873 C LEU A 60 5.745 -7.688 8.052 1.00 0.00 C ATOM 874 O LEU A 60 5.792 -8.901 8.263 1.00 0.00 O ATOM 875 CB LEU A 60 4.631 -6.501 6.122 1.00 0.00 C ATOM 876 CG LEU A 60 3.382 -7.381 6.138 1.00 0.00 C ATOM 877 CD1 LEU A 60 2.523 -7.092 4.918 1.00 0.00 C ATOM 878 CD2 LEU A 60 3.711 -8.867 6.230 1.00 0.00 C ATOM 0 H LEU A 60 5.857 -8.206 4.837 1.00 0.00 H new ATOM 0 HA LEU A 60 6.690 -6.360 6.681 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.428 -5.611 6.717 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.799 -6.168 5.098 1.00 0.00 H new ATOM 0 HG LEU A 60 2.822 -7.131 7.039 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.636 -7.725 4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.222 -6.044 4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.094 -7.299 4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.787 -9.445 6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.315 -9.160 5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.267 -9.060 7.147 1.00 0.00 H new ATOM 890 N PRO A 61 5.564 -6.809 9.047 1.00 0.00 N ATOM 891 CA PRO A 61 5.409 -7.218 10.447 1.00 0.00 C ATOM 892 C PRO A 61 4.265 -8.209 10.662 1.00 0.00 C ATOM 893 O PRO A 61 3.494 -8.500 9.749 1.00 0.00 O ATOM 894 CB PRO A 61 5.120 -5.908 11.182 1.00 0.00 C ATOM 895 CG PRO A 61 5.683 -4.844 10.300 1.00 0.00 C ATOM 896 CD PRO A 61 5.519 -5.344 8.891 1.00 0.00 C ATOM 0 HA PRO A 61 6.298 -7.739 10.803 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.050 -5.769 11.336 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.588 -5.895 12.166 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.157 -3.900 10.443 1.00 0.00 H new ATOM 0 HG3 PRO A 61 6.733 -4.662 10.530 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.577 -5.014 8.454 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.316 -4.984 8.240 1.00 0.00 H new ATOM 904 N GLU A 62 4.172 -8.715 11.889 1.00 0.00 N ATOM 905 CA GLU A 62 3.136 -9.672 12.265 1.00 0.00 C ATOM 906 C GLU A 62 1.770 -9.022 12.280 1.00 0.00 C ATOM 907 O GLU A 62 1.552 -8.004 11.633 1.00 0.00 O ATOM 908 CB GLU A 62 3.453 -10.271 13.638 1.00 0.00 C ATOM 909 CG GLU A 62 3.197 -9.318 14.795 1.00 0.00 C ATOM 910 CD GLU A 62 3.332 -9.991 16.145 1.00 0.00 C ATOM 911 OE1 GLU A 62 2.850 -11.134 16.291 1.00 0.00 O ATOM 912 OE2 GLU A 62 3.916 -9.374 17.062 1.00 0.00 O ATOM 0 H GLU A 62 4.810 -8.474 12.648 1.00 0.00 H new ATOM 0 HA GLU A 62 3.120 -10.468 11.521 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.853 -11.170 13.780 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.498 -10.579 13.657 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.898 -8.485 14.737 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.195 -8.899 14.701 1.00 0.00 H new ATOM 919 N ASN A 63 0.854 -9.646 13.004 1.00 0.00 N ATOM 920 CA ASN A 63 -0.509 -9.183 13.111 1.00 0.00 C ATOM 921 C ASN A 63 -0.578 -7.658 13.174 1.00 0.00 C ATOM 922 O ASN A 63 -0.822 -7.076 14.231 1.00 0.00 O ATOM 923 CB ASN A 63 -1.171 -9.785 14.352 1.00 0.00 C ATOM 924 CG ASN A 63 -0.560 -9.273 15.641 1.00 0.00 C ATOM 925 OD1 ASN A 63 -1.091 -8.362 16.275 1.00 0.00 O ATOM 926 ND2 ASN A 63 0.558 -9.862 16.038 1.00 0.00 N ATOM 0 H ASN A 63 1.044 -10.495 13.536 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.044 -9.508 12.219 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.236 -9.552 14.341 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.081 -10.871 14.317 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.013 -9.564 16.901 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.964 -10.614 15.481 1.00 0.00 H new ATOM 933 N THR A 64 -0.349 -7.025 12.031 1.00 0.00 N ATOM 934 CA THR A 64 -0.373 -5.569 11.941 1.00 0.00 C ATOM 935 C THR A 64 -1.048 -5.100 10.664 1.00 0.00 C ATOM 936 O THR A 64 -1.476 -5.903 9.837 1.00 0.00 O ATOM 937 CB THR A 64 1.043 -5.004 11.997 1.00 0.00 C ATOM 938 OG1 THR A 64 1.913 -5.714 11.129 1.00 0.00 O ATOM 939 CG2 THR A 64 1.648 -5.042 13.385 1.00 0.00 C ATOM 0 H THR A 64 -0.144 -7.497 11.151 1.00 0.00 H new ATOM 0 HA THR A 64 -0.947 -5.203 12.793 1.00 0.00 H new ATOM 0 HB THR A 64 0.945 -3.964 11.686 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.062 -6.616 11.482 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.655 -4.626 13.355 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.033 -4.454 14.066 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.692 -6.073 13.735 1.00 0.00 H new ATOM 947 N THR A 65 -1.139 -3.790 10.525 1.00 0.00 N ATOM 948 CA THR A 65 -1.761 -3.185 9.359 1.00 0.00 C ATOM 949 C THR A 65 -0.712 -2.600 8.415 1.00 0.00 C ATOM 950 O THR A 65 -0.332 -1.437 8.539 1.00 0.00 O ATOM 951 CB THR A 65 -2.730 -2.090 9.790 1.00 0.00 C ATOM 952 OG1 THR A 65 -3.172 -2.302 11.119 1.00 0.00 O ATOM 953 CG2 THR A 65 -3.956 -1.990 8.906 1.00 0.00 C ATOM 0 H THR A 65 -0.788 -3.120 11.209 1.00 0.00 H new ATOM 0 HA THR A 65 -2.306 -3.965 8.827 1.00 0.00 H new ATOM 0 HB THR A 65 -2.167 -1.160 9.707 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.791 -1.587 11.376 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.602 -1.191 9.269 1.00 0.00 H new ATOM 0 HG22 THR A 65 -3.650 -1.772 7.883 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.499 -2.935 8.929 1.00 0.00 H new ATOM 961 N LYS A 66 -0.269 -3.408 7.461 1.00 0.00 N ATOM 962 CA LYS A 66 0.711 -2.964 6.478 1.00 0.00 C ATOM 963 C LYS A 66 0.102 -1.876 5.605 1.00 0.00 C ATOM 964 O LYS A 66 -0.483 -2.154 4.562 1.00 0.00 O ATOM 965 CB LYS A 66 1.189 -4.135 5.618 1.00 0.00 C ATOM 966 CG LYS A 66 2.215 -3.747 4.566 1.00 0.00 C ATOM 967 CD LYS A 66 3.425 -3.064 5.186 1.00 0.00 C ATOM 968 CE LYS A 66 4.685 -3.311 4.376 1.00 0.00 C ATOM 969 NZ LYS A 66 5.799 -3.795 5.235 1.00 0.00 N ATOM 0 H LYS A 66 -0.573 -4.375 7.347 1.00 0.00 H new ATOM 0 HA LYS A 66 1.576 -2.559 7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.619 -4.898 6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.328 -4.585 5.123 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.537 -4.637 4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.755 -3.080 3.837 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.242 -1.992 5.256 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.568 -3.430 6.203 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.480 -4.045 3.597 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.984 -2.390 3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.602 -3.138 5.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.479 -3.846 6.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.096 -4.740 4.918 1.00 0.00 H new ATOM 983 N THR A 67 0.218 -0.637 6.057 1.00 0.00 N ATOM 984 CA THR A 67 -0.347 0.489 5.338 1.00 0.00 C ATOM 985 C THR A 67 0.651 1.121 4.382 1.00 0.00 C ATOM 986 O THR A 67 1.776 1.438 4.761 1.00 0.00 O ATOM 987 CB THR A 67 -0.848 1.536 6.330 1.00 0.00 C ATOM 988 OG1 THR A 67 -1.752 0.959 7.256 1.00 0.00 O ATOM 989 CG2 THR A 67 -1.551 2.703 5.670 1.00 0.00 C ATOM 0 H THR A 67 0.700 -0.388 6.921 1.00 0.00 H new ATOM 0 HA THR A 67 -1.178 0.113 4.741 1.00 0.00 H new ATOM 0 HB THR A 67 0.047 1.908 6.829 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.287 0.280 7.787 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.881 3.408 6.433 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.864 3.203 4.987 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.415 2.340 5.114 1.00 0.00 H new ATOM 997 N LEU A 68 0.222 1.317 3.143 1.00 0.00 N ATOM 998 CA LEU A 68 1.050 1.927 2.131 1.00 0.00 C ATOM 999 C LEU A 68 0.558 3.343 1.851 1.00 0.00 C ATOM 1000 O LEU A 68 -0.295 3.554 0.995 1.00 0.00 O ATOM 1001 CB LEU A 68 1.009 1.092 0.851 1.00 0.00 C ATOM 1002 CG LEU A 68 -0.110 0.061 0.770 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -0.353 -0.344 -0.669 1.00 0.00 C ATOM 1004 CD2 LEU A 68 0.224 -1.147 1.621 1.00 0.00 C ATOM 0 H LEU A 68 -0.709 1.056 2.819 1.00 0.00 H new ATOM 0 HA LEU A 68 2.079 1.972 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.917 1.768 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.963 0.575 0.746 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.026 0.508 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.155 -1.081 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.636 0.533 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.558 -0.776 -1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.585 -1.875 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.150 -1.599 1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.348 -0.838 2.659 1.00 0.00 H new ATOM 1016 N THR A 69 1.088 4.308 2.597 1.00 0.00 N ATOM 1017 CA THR A 69 0.677 5.695 2.439 1.00 0.00 C ATOM 1018 C THR A 69 1.490 6.402 1.357 1.00 0.00 C ATOM 1019 O THR A 69 2.657 6.732 1.559 1.00 0.00 O ATOM 1020 CB THR A 69 0.825 6.442 3.767 1.00 0.00 C ATOM 1021 OG1 THR A 69 -0.015 5.875 4.755 1.00 0.00 O ATOM 1022 CG2 THR A 69 0.486 7.915 3.669 1.00 0.00 C ATOM 0 H THR A 69 1.799 4.154 3.312 1.00 0.00 H new ATOM 0 HA THR A 69 -0.369 5.697 2.132 1.00 0.00 H new ATOM 0 HB THR A 69 1.877 6.345 4.036 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.203 4.926 4.864 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.612 8.383 4.645 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.149 8.394 2.949 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.548 8.030 3.343 1.00 0.00 H new ATOM 1030 N PHE A 70 0.852 6.646 0.218 1.00 0.00 N ATOM 1031 CA PHE A 70 1.500 7.325 -0.884 1.00 0.00 C ATOM 1032 C PHE A 70 1.502 8.831 -0.642 1.00 0.00 C ATOM 1033 O PHE A 70 0.474 9.490 -0.801 1.00 0.00 O ATOM 1034 CB PHE A 70 0.762 7.012 -2.183 1.00 0.00 C ATOM 1035 CG PHE A 70 0.787 5.559 -2.569 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -0.056 4.647 -1.954 1.00 0.00 C ATOM 1037 CD2 PHE A 70 1.645 5.109 -3.555 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -0.040 3.313 -2.319 1.00 0.00 C ATOM 1039 CE2 PHE A 70 1.663 3.779 -3.926 1.00 0.00 C ATOM 1040 CZ PHE A 70 0.821 2.879 -3.307 1.00 0.00 C ATOM 0 H PHE A 70 -0.116 6.380 0.039 1.00 0.00 H new ATOM 0 HA PHE A 70 2.530 6.978 -0.960 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.275 7.333 -2.085 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.203 7.599 -2.989 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.733 4.981 -1.182 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.310 5.807 -4.042 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.701 2.611 -1.831 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.336 3.444 -4.701 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.835 1.838 -3.594 1.00 0.00 H new ATOM 1050 N ASP A 71 2.648 9.380 -0.247 1.00 0.00 N ATOM 1051 CA ASP A 71 2.741 10.805 0.018 1.00 0.00 C ATOM 1052 C ASP A 71 2.632 11.615 -1.266 1.00 0.00 C ATOM 1053 O ASP A 71 3.606 11.772 -2.004 1.00 0.00 O ATOM 1054 CB ASP A 71 4.048 11.141 0.740 1.00 0.00 C ATOM 1055 CG ASP A 71 4.909 9.930 1.045 1.00 0.00 C ATOM 1056 OD1 ASP A 71 4.381 8.955 1.619 1.00 0.00 O ATOM 1057 OD2 ASP A 71 6.111 9.957 0.706 1.00 0.00 O ATOM 0 H ASP A 71 3.515 8.862 -0.106 1.00 0.00 H new ATOM 0 HA ASP A 71 1.904 11.072 0.664 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.621 11.838 0.128 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.815 11.654 1.673 1.00 0.00 H new ATOM 1062 N PHE A 72 1.435 12.136 -1.516 1.00 0.00 N ATOM 1063 CA PHE A 72 1.175 12.946 -2.699 1.00 0.00 C ATOM 1064 C PHE A 72 1.310 14.424 -2.363 1.00 0.00 C ATOM 1065 O PHE A 72 0.709 15.279 -3.012 1.00 0.00 O ATOM 1066 CB PHE A 72 -0.226 12.668 -3.237 1.00 0.00 C ATOM 1067 CG PHE A 72 -0.241 11.891 -4.522 1.00 0.00 C ATOM 1068 CD1 PHE A 72 -0.284 10.508 -4.508 1.00 0.00 C ATOM 1069 CD2 PHE A 72 -0.215 12.546 -5.742 1.00 0.00 C ATOM 1070 CE1 PHE A 72 -0.299 9.793 -5.689 1.00 0.00 C ATOM 1071 CE2 PHE A 72 -0.230 11.836 -6.927 1.00 0.00 C ATOM 1072 CZ PHE A 72 -0.274 10.455 -6.899 1.00 0.00 C ATOM 0 H PHE A 72 0.625 12.010 -0.909 1.00 0.00 H new ATOM 0 HA PHE A 72 1.906 12.684 -3.463 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.791 12.118 -2.485 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.740 13.617 -3.391 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.306 9.983 -3.564 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.183 13.625 -5.767 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.330 8.714 -5.665 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.207 12.358 -7.872 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.289 9.895 -7.822 1.00 0.00 H new ATOM 1082 N GLY A 73 2.092 14.720 -1.331 1.00 0.00 N ATOM 1083 CA GLY A 73 2.286 16.091 -0.915 1.00 0.00 C ATOM 1084 C GLY A 73 1.151 16.606 -0.049 1.00 0.00 C ATOM 1085 O GLY A 73 1.285 17.637 0.606 1.00 0.00 O ATOM 0 H GLY A 73 2.596 14.029 -0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.223 16.170 -0.364 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.381 16.724 -1.797 1.00 0.00 H new ATOM 1089 N VAL A 74 0.032 15.886 -0.049 1.00 0.00 N ATOM 1090 CA VAL A 74 -1.123 16.281 0.744 1.00 0.00 C ATOM 1091 C VAL A 74 -1.106 15.609 2.112 1.00 0.00 C ATOM 1092 O VAL A 74 -1.286 16.263 3.138 1.00 0.00 O ATOM 1093 CB VAL A 74 -2.443 15.936 0.030 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -2.544 16.681 -1.287 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -2.560 14.434 -0.185 1.00 0.00 C ATOM 0 H VAL A 74 -0.097 15.030 -0.588 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.062 17.362 0.872 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.272 16.251 0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.483 16.426 -1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.512 17.755 -1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.710 16.399 -1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.499 14.211 -0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.727 14.088 -0.797 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.537 13.926 0.779 1.00 0.00 H new ATOM 1105 N GLY A 75 -0.887 14.298 2.121 1.00 0.00 N ATOM 1106 CA GLY A 75 -0.847 13.560 3.371 1.00 0.00 C ATOM 1107 C GLY A 75 -2.225 13.263 3.921 1.00 0.00 C ATOM 1108 O GLY A 75 -2.585 12.106 4.135 1.00 0.00 O ATOM 0 H GLY A 75 -0.736 13.733 1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.312 12.623 3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.282 14.132 4.107 1.00 0.00 H new ATOM 1112 N THR A 76 -2.990 14.314 4.147 1.00 0.00 N ATOM 1113 CA THR A 76 -4.341 14.187 4.680 1.00 0.00 C ATOM 1114 C THR A 76 -5.177 13.237 3.831 1.00 0.00 C ATOM 1115 O THR A 76 -5.508 12.133 4.260 1.00 0.00 O ATOM 1116 CB THR A 76 -5.015 15.559 4.748 1.00 0.00 C ATOM 1117 OG1 THR A 76 -4.267 16.444 5.561 1.00 0.00 O ATOM 1118 CG2 THR A 76 -6.423 15.505 5.303 1.00 0.00 C ATOM 0 H THR A 76 -2.699 15.275 3.969 1.00 0.00 H new ATOM 0 HA THR A 76 -4.270 13.774 5.686 1.00 0.00 H new ATOM 0 HB THR A 76 -5.060 15.912 3.718 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.713 17.316 5.591 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.844 16.510 5.325 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.039 14.867 4.670 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.400 15.099 6.314 1.00 0.00 H new ATOM 1126 N LYS A 77 -5.516 13.676 2.624 1.00 0.00 N ATOM 1127 CA LYS A 77 -6.314 12.872 1.714 1.00 0.00 C ATOM 1128 C LYS A 77 -5.427 12.009 0.821 1.00 0.00 C ATOM 1129 O LYS A 77 -5.887 11.452 -0.171 1.00 0.00 O ATOM 1130 CB LYS A 77 -7.208 13.768 0.855 1.00 0.00 C ATOM 1131 CG LYS A 77 -6.497 14.996 0.313 1.00 0.00 C ATOM 1132 CD LYS A 77 -7.355 15.734 -0.700 1.00 0.00 C ATOM 1133 CE LYS A 77 -7.775 17.099 -0.187 1.00 0.00 C ATOM 1134 NZ LYS A 77 -6.654 18.078 -0.224 1.00 0.00 N ATOM 0 H LYS A 77 -5.248 14.588 2.255 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.942 12.212 2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.597 13.185 0.020 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.065 14.087 1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.247 15.666 1.136 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.558 14.698 -0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.801 15.849 -1.632 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.241 15.142 -0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.603 17.473 -0.789 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.141 17.005 0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.984 18.997 0.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.873 17.734 0.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.321 18.188 -1.203 1.00 0.00 H new ATOM 1148 N ASN A 78 -4.153 11.905 1.186 1.00 0.00 N ATOM 1149 CA ASN A 78 -3.201 11.118 0.422 1.00 0.00 C ATOM 1150 C ASN A 78 -3.688 9.677 0.252 1.00 0.00 C ATOM 1151 O ASN A 78 -3.955 8.982 1.231 1.00 0.00 O ATOM 1152 CB ASN A 78 -1.834 11.154 1.116 1.00 0.00 C ATOM 1153 CG ASN A 78 -1.487 9.859 1.831 1.00 0.00 C ATOM 1154 OD1 ASN A 78 -1.593 9.765 3.052 1.00 0.00 O ATOM 1155 ND2 ASN A 78 -1.073 8.855 1.066 1.00 0.00 N ATOM 0 H ASN A 78 -3.758 12.359 2.010 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.107 11.550 -0.574 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.064 11.369 0.375 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.821 11.973 1.836 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.828 7.960 1.488 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.001 8.979 0.056 1.00 0.00 H new ATOM 1162 N PRO A 79 -3.800 9.206 -0.996 1.00 0.00 N ATOM 1163 CA PRO A 79 -4.250 7.843 -1.286 1.00 0.00 C ATOM 1164 C PRO A 79 -3.394 6.796 -0.584 1.00 0.00 C ATOM 1165 O PRO A 79 -2.307 6.450 -1.050 1.00 0.00 O ATOM 1166 CB PRO A 79 -4.099 7.716 -2.809 1.00 0.00 C ATOM 1167 CG PRO A 79 -3.248 8.868 -3.227 1.00 0.00 C ATOM 1168 CD PRO A 79 -3.498 9.957 -2.222 1.00 0.00 C ATOM 0 HA PRO A 79 -5.268 7.674 -0.936 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.634 6.768 -3.079 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.070 7.747 -3.303 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -2.195 8.588 -3.245 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.507 9.199 -4.233 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.627 10.600 -2.098 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -4.328 10.598 -2.518 1.00 0.00 H new ATOM 1176 N LYS A 80 -3.889 6.296 0.536 1.00 0.00 N ATOM 1177 CA LYS A 80 -3.166 5.289 1.303 1.00 0.00 C ATOM 1178 C LYS A 80 -3.911 3.957 1.300 1.00 0.00 C ATOM 1179 O LYS A 80 -5.138 3.915 1.382 1.00 0.00 O ATOM 1180 CB LYS A 80 -2.960 5.766 2.742 1.00 0.00 C ATOM 1181 CG LYS A 80 -2.656 4.649 3.726 1.00 0.00 C ATOM 1182 CD LYS A 80 -3.931 4.104 4.355 1.00 0.00 C ATOM 1183 CE LYS A 80 -4.419 4.991 5.489 1.00 0.00 C ATOM 1184 NZ LYS A 80 -3.293 5.524 6.306 1.00 0.00 N ATOM 0 H LYS A 80 -4.787 6.569 0.936 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.195 5.141 0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.142 6.486 2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.856 6.292 3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.128 3.845 3.214 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.992 5.020 4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.708 4.025 3.594 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.750 3.097 4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.993 5.821 5.078 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.094 4.423 6.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.543 5.478 7.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.440 4.955 6.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.109 6.512 6.040 1.00 0.00 H new ATOM 1198 N LEU A 81 -3.152 2.874 1.211 1.00 0.00 N ATOM 1199 CA LEU A 81 -3.713 1.534 1.205 1.00 0.00 C ATOM 1200 C LEU A 81 -3.430 0.829 2.529 1.00 0.00 C ATOM 1201 O LEU A 81 -2.302 0.412 2.786 1.00 0.00 O ATOM 1202 CB LEU A 81 -3.132 0.721 0.049 1.00 0.00 C ATOM 1203 CG LEU A 81 -4.071 0.519 -1.134 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -3.275 0.181 -2.385 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -5.085 -0.568 -0.828 1.00 0.00 C ATOM 0 H LEU A 81 -2.135 2.901 1.141 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.792 1.615 1.075 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.228 1.216 -0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.833 -0.257 0.427 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.614 1.447 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.957 0.039 -3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.588 0.997 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.708 -0.735 -2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.747 -0.699 -1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.565 -1.504 -0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.672 -0.283 0.045 1.00 0.00 H new ATOM 1217 N THR A 82 -4.446 0.702 3.372 1.00 0.00 N ATOM 1218 CA THR A 82 -4.267 0.056 4.666 1.00 0.00 C ATOM 1219 C THR A 82 -4.418 -1.453 4.563 1.00 0.00 C ATOM 1220 O THR A 82 -5.532 -1.973 4.474 1.00 0.00 O ATOM 1221 CB THR A 82 -5.262 0.614 5.687 1.00 0.00 C ATOM 1222 OG1 THR A 82 -5.355 -0.234 6.813 1.00 0.00 O ATOM 1223 CG2 THR A 82 -6.659 0.792 5.129 1.00 0.00 C ATOM 0 H THR A 82 -5.393 1.033 3.187 1.00 0.00 H new ATOM 0 HA THR A 82 -3.253 0.271 5.002 1.00 0.00 H new ATOM 0 HB THR A 82 -4.871 1.594 5.962 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.995 0.142 7.453 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.313 1.191 5.905 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.629 1.485 4.288 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.042 -0.171 4.792 1.00 0.00 H new ATOM 1231 N ILE A 83 -3.291 -2.161 4.595 1.00 0.00 N ATOM 1232 CA ILE A 83 -3.304 -3.615 4.525 1.00 0.00 C ATOM 1233 C ILE A 83 -3.202 -4.212 5.919 1.00 0.00 C ATOM 1234 O ILE A 83 -2.501 -3.688 6.777 1.00 0.00 O ATOM 1235 CB ILE A 83 -2.154 -4.166 3.665 1.00 0.00 C ATOM 1236 CG1 ILE A 83 -2.080 -3.409 2.337 1.00 0.00 C ATOM 1237 CG2 ILE A 83 -2.338 -5.662 3.439 1.00 0.00 C ATOM 1238 CD1 ILE A 83 -1.502 -4.223 1.199 1.00 0.00 C ATOM 0 H ILE A 83 -2.361 -1.750 4.669 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.248 -3.899 4.060 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.211 -4.018 4.191 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -3.082 -3.078 2.062 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.475 -2.513 2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.518 -6.041 2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.344 -6.177 4.400 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.284 -5.839 2.927 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.482 -3.618 0.292 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.488 -4.532 1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.119 -5.106 1.033 1.00 0.00 H new ATOM 1250 N THR A 84 -3.908 -5.312 6.138 1.00 0.00 N ATOM 1251 CA THR A 84 -3.895 -5.966 7.436 1.00 0.00 C ATOM 1252 C THR A 84 -3.186 -7.311 7.376 1.00 0.00 C ATOM 1253 O THR A 84 -3.770 -8.312 6.958 1.00 0.00 O ATOM 1254 CB THR A 84 -5.320 -6.153 7.954 1.00 0.00 C ATOM 1255 OG1 THR A 84 -6.090 -4.986 7.733 1.00 0.00 O ATOM 1256 CG2 THR A 84 -5.382 -6.474 9.431 1.00 0.00 C ATOM 0 H THR A 84 -4.493 -5.767 5.438 1.00 0.00 H new ATOM 0 HA THR A 84 -3.345 -5.322 8.122 1.00 0.00 H new ATOM 0 HB THR A 84 -5.721 -7.001 7.399 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.000 -5.126 8.070 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.422 -6.594 9.734 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.838 -7.398 9.626 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.930 -5.661 9.999 1.00 0.00 H new ATOM 1264 N VAL A 85 -1.931 -7.336 7.813 1.00 0.00 N ATOM 1265 CA VAL A 85 -1.166 -8.573 7.820 1.00 0.00 C ATOM 1266 C VAL A 85 -1.507 -9.384 9.058 1.00 0.00 C ATOM 1267 O VAL A 85 -1.201 -8.982 10.184 1.00 0.00 O ATOM 1268 CB VAL A 85 0.351 -8.328 7.763 1.00 0.00 C ATOM 1269 CG1 VAL A 85 0.723 -7.031 8.461 1.00 0.00 C ATOM 1270 CG2 VAL A 85 1.116 -9.501 8.364 1.00 0.00 C ATOM 0 H VAL A 85 -1.428 -6.521 8.163 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.440 -9.126 6.922 1.00 0.00 H new ATOM 0 HB VAL A 85 0.633 -8.239 6.714 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.802 -6.884 8.405 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.217 -6.197 7.974 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.417 -7.080 9.506 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.186 -9.303 8.311 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.822 -9.632 9.405 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.887 -10.409 7.806 1.00 0.00 H new ATOM 1280 N LEU A 86 -2.151 -10.521 8.841 1.00 0.00 N ATOM 1281 CA LEU A 86 -2.551 -11.394 9.942 1.00 0.00 C ATOM 1282 C LEU A 86 -1.461 -12.413 10.256 1.00 0.00 C ATOM 1283 O LEU A 86 -0.616 -12.718 9.415 1.00 0.00 O ATOM 1284 CB LEU A 86 -3.881 -12.094 9.619 1.00 0.00 C ATOM 1285 CG LEU A 86 -3.777 -13.367 8.783 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -3.370 -14.547 9.650 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -5.096 -13.651 8.083 1.00 0.00 C ATOM 0 H LEU A 86 -2.409 -10.863 7.915 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.696 -10.778 10.829 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.378 -12.338 10.558 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.523 -11.388 9.092 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.007 -13.218 8.026 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.302 -15.444 9.035 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.401 -14.346 10.107 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.115 -14.699 10.431 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.005 -14.562 7.491 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.883 -13.779 8.827 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.348 -12.817 7.428 1.00 0.00 H new