USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 741 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 63 THR OG1 : rot 13:sc= 0.381 USER MOD Set 1.2: A 75 SER OG : rot -114:sc= 0.728 USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= 0.0286 USER MOD Set 2.2: A 51 ASN :FLIP amide:sc= -0.851 F(o=-3.2!,f=-0.82) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 125:sc= -0.0489 (180deg=-0.587) USER MOD Single : A 14 LYS NZ :NH3+ -151:sc= -0.145 (180deg=-1.18) USER MOD Single : A 29 THR OG1 : rot 82:sc= -0.0155 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= -1.12! USER MOD Single : A 34 MET CE :methyl -132:sc= -2.28! (180deg=-2.39!) USER MOD Single : A 39 LYS NZ :NH3+ -170:sc=-0.000101 (180deg=-0.141) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.463 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.127 K(o=-0.13,f=-1.6!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.135) USER MOD Single : A 61 SER OG : rot 66:sc= 1.04 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -3! C(o=-3!,f=-6.5!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -44:sc= 1.13 USER MOD Single : A 77 GLN : amide:sc= -0.472 K(o=-0.47,f=-3.6!) USER MOD Single : A 78 THR OG1 : rot 41:sc= -1.39! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN :FLIP amide:sc= -3.13! C(o=-8.7!,f=-3.1!) USER MOD Single : A 86 GLN : amide:sc= -0.0744 K(o=-0.074,f=-2.3!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot -27:sc= 0.656 USER MOD ----------------------------------------------------------------- ATOM 86 N VAL A 6 90.239 5.387 -9.820 1.00 0.00 N ATOM 87 CA VAL A 6 89.912 4.515 -8.649 1.00 0.00 C ATOM 88 C VAL A 6 88.781 3.559 -9.034 1.00 0.00 C ATOM 89 O VAL A 6 87.844 3.934 -9.710 1.00 0.00 O ATOM 90 CB VAL A 6 89.456 5.393 -7.481 1.00 0.00 C ATOM 91 CG1 VAL A 6 89.112 4.509 -6.282 1.00 0.00 C ATOM 92 CG2 VAL A 6 90.584 6.355 -7.098 1.00 0.00 C ATOM 0 HA VAL A 6 90.793 3.943 -8.357 1.00 0.00 H new ATOM 0 HB VAL A 6 88.575 5.963 -7.776 1.00 0.00 H new ATOM 0 HG11 VAL A 6 88.787 5.134 -5.450 1.00 0.00 H new ATOM 0 HG12 VAL A 6 88.310 3.822 -6.554 1.00 0.00 H new ATOM 0 HG13 VAL A 6 89.993 3.939 -5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 6 90.261 6.981 -6.266 1.00 0.00 H new ATOM 0 HG22 VAL A 6 91.464 5.784 -6.802 1.00 0.00 H new ATOM 0 HG23 VAL A 6 90.831 6.985 -7.952 1.00 0.00 H new ATOM 102 N SER A 7 88.857 2.324 -8.612 1.00 0.00 N ATOM 103 CA SER A 7 87.783 1.351 -8.960 1.00 0.00 C ATOM 104 C SER A 7 86.633 1.476 -7.961 1.00 0.00 C ATOM 105 O SER A 7 86.789 1.227 -6.785 1.00 0.00 O ATOM 106 CB SER A 7 88.340 -0.069 -8.918 1.00 0.00 C ATOM 107 OG SER A 7 89.642 -0.081 -9.488 1.00 0.00 O ATOM 0 H SER A 7 89.615 1.949 -8.042 1.00 0.00 H new ATOM 0 HA SER A 7 87.417 1.566 -9.964 1.00 0.00 H new ATOM 0 HB2 SER A 7 88.378 -0.427 -7.889 1.00 0.00 H new ATOM 0 HB3 SER A 7 87.684 -0.745 -9.466 1.00 0.00 H new ATOM 0 HG SER A 7 90.003 -0.992 -9.461 1.00 0.00 H new ATOM 113 N PHE A 8 85.481 1.852 -8.432 1.00 0.00 N ATOM 114 CA PHE A 8 84.293 2.000 -7.537 1.00 0.00 C ATOM 115 C PHE A 8 83.438 0.730 -7.618 1.00 0.00 C ATOM 116 O PHE A 8 82.966 0.358 -8.674 1.00 0.00 O ATOM 117 CB PHE A 8 83.472 3.203 -8.011 1.00 0.00 C ATOM 118 CG PHE A 8 83.430 3.218 -9.520 1.00 0.00 C ATOM 119 CD1 PHE A 8 84.443 3.860 -10.241 1.00 0.00 C ATOM 120 CD2 PHE A 8 82.379 2.589 -10.197 1.00 0.00 C ATOM 121 CE1 PHE A 8 84.405 3.874 -11.640 1.00 0.00 C ATOM 122 CE2 PHE A 8 82.341 2.603 -11.597 1.00 0.00 C ATOM 123 CZ PHE A 8 83.354 3.245 -12.318 1.00 0.00 C ATOM 0 H PHE A 8 85.305 2.067 -9.413 1.00 0.00 H new ATOM 0 HA PHE A 8 84.614 2.152 -6.506 1.00 0.00 H new ATOM 0 HB2 PHE A 8 82.460 3.148 -7.609 1.00 0.00 H new ATOM 0 HB3 PHE A 8 83.913 4.128 -7.639 1.00 0.00 H new ATOM 0 HD1 PHE A 8 85.254 4.345 -9.718 1.00 0.00 H new ATOM 0 HD2 PHE A 8 81.598 2.093 -9.640 1.00 0.00 H new ATOM 0 HE1 PHE A 8 85.186 4.370 -12.196 1.00 0.00 H new ATOM 0 HE2 PHE A 8 81.530 2.118 -12.120 1.00 0.00 H new ATOM 0 HZ PHE A 8 83.325 3.255 -13.398 1.00 0.00 H new ATOM 133 N PHE A 9 83.231 0.065 -6.508 1.00 0.00 N ATOM 134 CA PHE A 9 82.399 -1.181 -6.508 1.00 0.00 C ATOM 135 C PHE A 9 81.014 -0.844 -5.946 1.00 0.00 C ATOM 136 O PHE A 9 80.891 -0.163 -4.947 1.00 0.00 O ATOM 137 CB PHE A 9 83.065 -2.244 -5.613 1.00 0.00 C ATOM 138 CG PHE A 9 84.103 -3.024 -6.399 1.00 0.00 C ATOM 139 CD1 PHE A 9 85.151 -2.350 -7.038 1.00 0.00 C ATOM 140 CD2 PHE A 9 84.022 -4.423 -6.478 1.00 0.00 C ATOM 141 CE1 PHE A 9 86.115 -3.072 -7.754 1.00 0.00 C ATOM 142 CE2 PHE A 9 84.985 -5.143 -7.196 1.00 0.00 C ATOM 143 CZ PHE A 9 86.031 -4.467 -7.833 1.00 0.00 C ATOM 0 H PHE A 9 83.604 0.332 -5.597 1.00 0.00 H new ATOM 0 HA PHE A 9 82.309 -1.568 -7.523 1.00 0.00 H new ATOM 0 HB2 PHE A 9 83.535 -1.763 -4.755 1.00 0.00 H new ATOM 0 HB3 PHE A 9 82.309 -2.925 -5.222 1.00 0.00 H new ATOM 0 HD1 PHE A 9 85.216 -1.274 -6.979 1.00 0.00 H new ATOM 0 HD2 PHE A 9 83.216 -4.945 -5.984 1.00 0.00 H new ATOM 0 HE1 PHE A 9 86.924 -2.552 -8.245 1.00 0.00 H new ATOM 0 HE2 PHE A 9 84.920 -6.219 -7.258 1.00 0.00 H new ATOM 0 HZ PHE A 9 86.774 -5.022 -8.386 1.00 0.00 H new ATOM 153 N LEU A 10 79.972 -1.317 -6.572 1.00 0.00 N ATOM 154 CA LEU A 10 78.607 -1.021 -6.057 1.00 0.00 C ATOM 155 C LEU A 10 78.297 -1.948 -4.892 1.00 0.00 C ATOM 156 O LEU A 10 78.289 -3.156 -5.022 1.00 0.00 O ATOM 157 CB LEU A 10 77.568 -1.222 -7.171 1.00 0.00 C ATOM 158 CG LEU A 10 76.119 -1.156 -6.590 1.00 0.00 C ATOM 159 CD1 LEU A 10 75.217 -0.325 -7.510 1.00 0.00 C ATOM 160 CD2 LEU A 10 75.524 -2.568 -6.473 1.00 0.00 C ATOM 0 H LEU A 10 80.006 -1.893 -7.413 1.00 0.00 H new ATOM 0 HA LEU A 10 78.566 0.015 -5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.694 -0.456 -7.936 1.00 0.00 H new ATOM 0 HB3 LEU A 10 77.728 -2.185 -7.655 1.00 0.00 H new ATOM 0 HG LEU A 10 76.172 -0.695 -5.604 1.00 0.00 H new ATOM 0 HD11 LEU A 10 74.210 -0.287 -7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 10 75.615 0.687 -7.592 1.00 0.00 H new ATOM 0 HD13 LEU A 10 75.184 -0.783 -8.498 1.00 0.00 H new ATOM 0 HD21 LEU A 10 74.515 -2.505 -6.067 1.00 0.00 H new ATOM 0 HD22 LEU A 10 75.490 -3.031 -7.459 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.145 -3.171 -5.810 1.00 0.00 H new ATOM 172 N VAL A 11 78.030 -1.376 -3.753 1.00 0.00 N ATOM 173 CA VAL A 11 77.694 -2.180 -2.547 1.00 0.00 C ATOM 174 C VAL A 11 76.420 -1.598 -1.954 1.00 0.00 C ATOM 175 O VAL A 11 76.121 -0.435 -2.147 1.00 0.00 O ATOM 176 CB VAL A 11 78.833 -2.088 -1.529 1.00 0.00 C ATOM 177 CG1 VAL A 11 80.152 -2.505 -2.193 1.00 0.00 C ATOM 178 CG2 VAL A 11 78.950 -0.648 -1.014 1.00 0.00 C ATOM 0 H VAL A 11 78.031 -0.367 -3.604 1.00 0.00 H new ATOM 0 HA VAL A 11 77.553 -3.229 -2.808 1.00 0.00 H new ATOM 0 HB VAL A 11 78.623 -2.754 -0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 11 80.962 -2.439 -1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.070 -3.531 -2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 11 80.362 -1.842 -3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 11 79.762 -0.586 -0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 11 79.157 0.021 -1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 11 78.015 -0.355 -0.537 1.00 0.00 H new ATOM 188 N LYS A 12 75.663 -2.385 -1.241 1.00 0.00 N ATOM 189 CA LYS A 12 74.396 -1.870 -0.641 1.00 0.00 C ATOM 190 C LYS A 12 74.583 -1.739 0.865 1.00 0.00 C ATOM 191 O LYS A 12 75.402 -2.407 1.463 1.00 0.00 O ATOM 192 CB LYS A 12 73.244 -2.847 -0.957 1.00 0.00 C ATOM 193 CG LYS A 12 72.467 -2.362 -2.190 1.00 0.00 C ATOM 194 CD LYS A 12 71.558 -3.481 -2.696 1.00 0.00 C ATOM 195 CE LYS A 12 70.930 -3.067 -4.028 1.00 0.00 C ATOM 196 NZ LYS A 12 71.988 -2.990 -5.074 1.00 0.00 N ATOM 0 H LYS A 12 75.866 -3.365 -1.046 1.00 0.00 H new ATOM 0 HA LYS A 12 74.150 -0.894 -1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 12 73.642 -3.845 -1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 12 72.574 -2.921 -0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 12 71.873 -1.484 -1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 12 73.161 -2.061 -2.975 1.00 0.00 H new ATOM 0 HD2 LYS A 12 72.131 -4.400 -2.822 1.00 0.00 H new ATOM 0 HD3 LYS A 12 70.778 -3.689 -1.964 1.00 0.00 H new ATOM 0 HE2 LYS A 12 70.166 -3.787 -4.321 1.00 0.00 H new ATOM 0 HE3 LYS A 12 70.435 -2.101 -3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 71.725 -3.593 -5.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 72.087 -2.006 -5.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 72.892 -3.317 -4.678 1.00 0.00 H new ATOM 210 N GLU A 13 73.822 -0.872 1.472 1.00 0.00 N ATOM 211 CA GLU A 13 73.925 -0.661 2.945 1.00 0.00 C ATOM 212 C GLU A 13 72.540 -0.812 3.564 1.00 0.00 C ATOM 213 O GLU A 13 71.535 -0.724 2.887 1.00 0.00 O ATOM 214 CB GLU A 13 74.454 0.745 3.222 1.00 0.00 C ATOM 215 CG GLU A 13 75.759 0.962 2.450 1.00 0.00 C ATOM 216 CD GLU A 13 76.501 2.170 3.025 1.00 0.00 C ATOM 217 OE1 GLU A 13 75.904 2.888 3.810 1.00 0.00 O ATOM 218 OE2 GLU A 13 77.653 2.358 2.669 1.00 0.00 O ATOM 0 H GLU A 13 73.124 -0.293 1.005 1.00 0.00 H new ATOM 0 HA GLU A 13 74.606 -1.394 3.377 1.00 0.00 H new ATOM 0 HB2 GLU A 13 73.715 1.488 2.924 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.625 0.877 4.290 1.00 0.00 H new ATOM 0 HG2 GLU A 13 76.385 0.072 2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 13 75.546 1.123 1.393 1.00 0.00 H new ATOM 225 N LYS A 14 72.482 -1.042 4.847 1.00 0.00 N ATOM 226 CA LYS A 14 71.168 -1.207 5.536 1.00 0.00 C ATOM 227 C LYS A 14 70.865 0.062 6.335 1.00 0.00 C ATOM 228 O LYS A 14 71.530 0.379 7.301 1.00 0.00 O ATOM 229 CB LYS A 14 71.242 -2.426 6.487 1.00 0.00 C ATOM 230 CG LYS A 14 70.537 -3.637 5.861 1.00 0.00 C ATOM 231 CD LYS A 14 71.268 -4.057 4.583 1.00 0.00 C ATOM 232 CE LYS A 14 70.841 -5.476 4.198 1.00 0.00 C ATOM 233 NZ LYS A 14 71.227 -6.426 5.281 1.00 0.00 N ATOM 0 H LYS A 14 73.297 -1.124 5.455 1.00 0.00 H new ATOM 0 HA LYS A 14 70.377 -1.372 4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.284 -2.671 6.694 1.00 0.00 H new ATOM 0 HB3 LYS A 14 70.777 -2.179 7.441 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.518 -4.465 6.569 1.00 0.00 H new ATOM 0 HG3 LYS A 14 69.500 -3.389 5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 14 71.038 -3.364 3.774 1.00 0.00 H new ATOM 0 HD3 LYS A 14 72.346 -4.019 4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 14 69.764 -5.511 4.037 1.00 0.00 H new ATOM 0 HE3 LYS A 14 71.314 -5.767 3.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 71.404 -7.365 4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 72.090 -6.085 5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 70.456 -6.491 5.976 1.00 0.00 H new ATOM 351 N LEU A 21 67.333 -1.416 1.295 1.00 0.00 N ATOM 352 CA LEU A 21 68.822 -1.404 1.175 1.00 0.00 C ATOM 353 C LEU A 21 69.212 -0.081 0.519 1.00 0.00 C ATOM 354 O LEU A 21 68.409 0.528 -0.161 1.00 0.00 O ATOM 355 CB LEU A 21 69.323 -2.574 0.289 1.00 0.00 C ATOM 356 CG LEU A 21 68.477 -3.845 0.508 1.00 0.00 C ATOM 357 CD1 LEU A 21 68.714 -4.831 -0.642 1.00 0.00 C ATOM 358 CD2 LEU A 21 68.878 -4.512 1.829 1.00 0.00 C ATOM 0 HA LEU A 21 69.271 -1.515 2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 21 69.280 -2.282 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 21 70.367 -2.786 0.519 1.00 0.00 H new ATOM 0 HG LEU A 21 67.423 -3.567 0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 21 68.114 -5.727 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 21 68.427 -4.366 -1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 21 69.769 -5.102 -0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 21 68.278 -5.409 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 21 69.933 -4.782 1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 21 68.708 -3.819 2.653 1.00 0.00 H new ATOM 370 N VAL A 22 70.427 0.369 0.704 1.00 0.00 N ATOM 371 CA VAL A 22 70.853 1.663 0.071 1.00 0.00 C ATOM 372 C VAL A 22 72.115 1.411 -0.797 1.00 0.00 C ATOM 373 O VAL A 22 73.166 1.143 -0.249 1.00 0.00 O ATOM 374 CB VAL A 22 71.185 2.666 1.203 1.00 0.00 C ATOM 375 CG1 VAL A 22 72.129 3.766 0.696 1.00 0.00 C ATOM 376 CG2 VAL A 22 69.893 3.319 1.719 1.00 0.00 C ATOM 0 H VAL A 22 71.142 -0.098 1.262 1.00 0.00 H new ATOM 0 HA VAL A 22 70.060 2.064 -0.561 1.00 0.00 H new ATOM 0 HB VAL A 22 71.674 2.118 2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 22 72.349 4.459 1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 22 73.056 3.315 0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 22 71.653 4.305 -0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 22 70.134 4.023 2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 22 69.402 3.848 0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 22 69.225 2.549 2.106 1.00 0.00 H new ATOM 386 N PRO A 23 72.010 1.533 -2.119 1.00 0.00 N ATOM 387 CA PRO A 23 73.185 1.347 -2.996 1.00 0.00 C ATOM 388 C PRO A 23 74.296 2.332 -2.613 1.00 0.00 C ATOM 389 O PRO A 23 74.043 3.430 -2.156 1.00 0.00 O ATOM 390 CB PRO A 23 72.658 1.630 -4.420 1.00 0.00 C ATOM 391 CG PRO A 23 71.115 1.634 -4.338 1.00 0.00 C ATOM 392 CD PRO A 23 70.751 1.819 -2.852 1.00 0.00 C ATOM 0 HA PRO A 23 73.617 0.350 -2.913 1.00 0.00 H new ATOM 0 HB2 PRO A 23 73.027 2.589 -4.784 1.00 0.00 H new ATOM 0 HB3 PRO A 23 73.005 0.868 -5.118 1.00 0.00 H new ATOM 0 HG2 PRO A 23 70.697 2.440 -4.942 1.00 0.00 H new ATOM 0 HG3 PRO A 23 70.705 0.701 -4.724 1.00 0.00 H new ATOM 0 HD2 PRO A 23 70.398 2.831 -2.653 1.00 0.00 H new ATOM 0 HD3 PRO A 23 69.954 1.139 -2.551 1.00 0.00 H new ATOM 400 N ARG A 24 75.524 1.939 -2.801 1.00 0.00 N ATOM 401 CA ARG A 24 76.666 2.833 -2.458 1.00 0.00 C ATOM 402 C ARG A 24 77.863 2.452 -3.331 1.00 0.00 C ATOM 403 O ARG A 24 78.056 1.296 -3.650 1.00 0.00 O ATOM 404 CB ARG A 24 77.022 2.647 -0.975 1.00 0.00 C ATOM 405 CG ARG A 24 77.887 3.822 -0.477 1.00 0.00 C ATOM 406 CD ARG A 24 76.989 4.969 0.001 1.00 0.00 C ATOM 407 NE ARG A 24 76.390 4.611 1.318 1.00 0.00 N ATOM 408 CZ ARG A 24 75.840 5.534 2.058 1.00 0.00 C ATOM 409 NH1 ARG A 24 75.814 6.772 1.646 1.00 0.00 N ATOM 410 NH2 ARG A 24 75.315 5.218 3.210 1.00 0.00 N ATOM 0 H ARG A 24 75.788 1.030 -3.180 1.00 0.00 H new ATOM 0 HA ARG A 24 76.400 3.875 -2.635 1.00 0.00 H new ATOM 0 HB2 ARG A 24 76.110 2.581 -0.381 1.00 0.00 H new ATOM 0 HB3 ARG A 24 77.559 1.708 -0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 24 78.531 3.490 0.337 1.00 0.00 H new ATOM 0 HG3 ARG A 24 78.539 4.169 -1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 24 77.569 5.887 0.090 1.00 0.00 H new ATOM 0 HD3 ARG A 24 76.203 5.159 -0.729 1.00 0.00 H new ATOM 0 HE ARG A 24 76.410 3.644 1.641 1.00 0.00 H new ATOM 0 HH11 ARG A 24 76.224 7.018 0.745 1.00 0.00 H new ATOM 0 HH12 ARG A 24 75.384 7.493 2.225 1.00 0.00 H new ATOM 0 HH21 ARG A 24 75.335 4.250 3.531 1.00 0.00 H new ATOM 0 HH22 ARG A 24 74.885 5.939 3.789 1.00 0.00 H new ATOM 424 N LEU A 25 78.676 3.403 -3.706 1.00 0.00 N ATOM 425 CA LEU A 25 79.873 3.090 -4.541 1.00 0.00 C ATOM 426 C LEU A 25 81.094 3.103 -3.612 1.00 0.00 C ATOM 427 O LEU A 25 81.189 3.929 -2.726 1.00 0.00 O ATOM 428 CB LEU A 25 80.003 4.154 -5.635 1.00 0.00 C ATOM 429 CG LEU A 25 78.889 3.985 -6.682 1.00 0.00 C ATOM 430 CD1 LEU A 25 78.845 5.231 -7.575 1.00 0.00 C ATOM 431 CD2 LEU A 25 79.140 2.739 -7.552 1.00 0.00 C ATOM 0 H LEU A 25 78.562 4.388 -3.469 1.00 0.00 H new ATOM 0 HA LEU A 25 79.789 2.116 -5.022 1.00 0.00 H new ATOM 0 HB2 LEU A 25 79.947 5.149 -5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 25 80.978 4.073 -6.116 1.00 0.00 H new ATOM 0 HG LEU A 25 77.938 3.859 -6.165 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.057 5.117 -8.320 1.00 0.00 H new ATOM 0 HD12 LEU A 25 78.642 6.110 -6.963 1.00 0.00 H new ATOM 0 HD13 LEU A 25 79.804 5.352 -8.078 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.339 2.640 -8.285 1.00 0.00 H new ATOM 0 HD22 LEU A 25 80.094 2.842 -8.068 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.164 1.852 -6.919 1.00 0.00 H new ATOM 443 N LEU A 26 82.007 2.174 -3.779 1.00 0.00 N ATOM 444 CA LEU A 26 83.205 2.100 -2.873 1.00 0.00 C ATOM 445 C LEU A 26 84.499 2.155 -3.693 1.00 0.00 C ATOM 446 O LEU A 26 84.853 1.225 -4.389 1.00 0.00 O ATOM 447 CB LEU A 26 83.137 0.781 -2.090 1.00 0.00 C ATOM 448 CG LEU A 26 84.448 0.523 -1.335 1.00 0.00 C ATOM 449 CD1 LEU A 26 84.869 1.776 -0.559 1.00 0.00 C ATOM 450 CD2 LEU A 26 84.242 -0.638 -0.360 1.00 0.00 C ATOM 0 H LEU A 26 81.976 1.460 -4.506 1.00 0.00 H new ATOM 0 HA LEU A 26 83.201 2.947 -2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 26 82.307 0.815 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 26 82.939 -0.043 -2.775 1.00 0.00 H new ATOM 0 HG LEU A 26 85.232 0.274 -2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 26 85.800 1.579 -0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 26 85.015 2.603 -1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 26 84.091 2.038 0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 26 85.169 -0.828 0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 26 83.454 -0.382 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 26 83.955 -1.532 -0.914 1.00 0.00 H new ATOM 462 N GLY A 27 85.200 3.250 -3.597 1.00 0.00 N ATOM 463 CA GLY A 27 86.476 3.421 -4.347 1.00 0.00 C ATOM 464 C GLY A 27 87.643 2.791 -3.588 1.00 0.00 C ATOM 465 O GLY A 27 87.849 3.046 -2.418 1.00 0.00 O ATOM 0 H GLY A 27 84.937 4.049 -3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 27 86.388 2.963 -5.332 1.00 0.00 H new ATOM 0 HA3 GLY A 27 86.670 4.482 -4.505 1.00 0.00 H new ATOM 469 N ILE A 28 88.424 1.986 -4.268 1.00 0.00 N ATOM 470 CA ILE A 28 89.615 1.338 -3.633 1.00 0.00 C ATOM 471 C ILE A 28 90.840 1.710 -4.476 1.00 0.00 C ATOM 472 O ILE A 28 90.974 1.288 -5.607 1.00 0.00 O ATOM 473 CB ILE A 28 89.434 -0.203 -3.600 1.00 0.00 C ATOM 474 CG1 ILE A 28 88.476 -0.650 -4.730 1.00 0.00 C ATOM 475 CG2 ILE A 28 88.881 -0.640 -2.233 1.00 0.00 C ATOM 476 CD1 ILE A 28 87.009 -0.544 -4.292 1.00 0.00 C ATOM 0 H ILE A 28 88.284 1.747 -5.250 1.00 0.00 H new ATOM 0 HA ILE A 28 89.737 1.680 -2.605 1.00 0.00 H new ATOM 0 HB ILE A 28 90.404 -0.676 -3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 28 88.639 -0.033 -5.614 1.00 0.00 H new ATOM 0 HG13 ILE A 28 88.700 -1.678 -5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 28 88.757 -1.723 -2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 28 89.577 -0.345 -1.448 1.00 0.00 H new ATOM 0 HG23 ILE A 28 87.916 -0.163 -2.061 1.00 0.00 H new ATOM 0 HD11 ILE A 28 86.362 -0.865 -5.108 1.00 0.00 H new ATOM 0 HD12 ILE A 28 86.842 -1.181 -3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 28 86.780 0.490 -4.033 1.00 0.00 H new ATOM 488 N THR A 29 91.725 2.512 -3.937 1.00 0.00 N ATOM 489 CA THR A 29 92.938 2.937 -4.704 1.00 0.00 C ATOM 490 C THR A 29 94.159 2.156 -4.213 1.00 0.00 C ATOM 491 O THR A 29 94.099 1.435 -3.237 1.00 0.00 O ATOM 492 CB THR A 29 93.159 4.444 -4.486 1.00 0.00 C ATOM 493 OG1 THR A 29 91.900 5.100 -4.455 1.00 0.00 O ATOM 494 CG2 THR A 29 94.007 5.027 -5.622 1.00 0.00 C ATOM 0 H THR A 29 91.659 2.893 -2.993 1.00 0.00 H new ATOM 0 HA THR A 29 92.795 2.735 -5.766 1.00 0.00 H new ATOM 0 HB THR A 29 93.682 4.594 -3.542 1.00 0.00 H new ATOM 0 HG1 THR A 29 91.509 5.016 -3.560 1.00 0.00 H new ATOM 0 HG21 THR A 29 94.155 6.094 -5.455 1.00 0.00 H new ATOM 0 HG22 THR A 29 94.975 4.526 -5.648 1.00 0.00 H new ATOM 0 HG23 THR A 29 93.495 4.877 -6.572 1.00 0.00 H new ATOM 502 N LYS A 30 95.266 2.296 -4.886 1.00 0.00 N ATOM 503 CA LYS A 30 96.497 1.570 -4.470 1.00 0.00 C ATOM 504 C LYS A 30 97.118 2.276 -3.263 1.00 0.00 C ATOM 505 O LYS A 30 97.992 1.746 -2.606 1.00 0.00 O ATOM 506 CB LYS A 30 97.493 1.575 -5.635 1.00 0.00 C ATOM 507 CG LYS A 30 97.388 2.908 -6.377 1.00 0.00 C ATOM 508 CD LYS A 30 98.626 3.116 -7.251 1.00 0.00 C ATOM 509 CE LYS A 30 98.379 4.278 -8.218 1.00 0.00 C ATOM 510 NZ LYS A 30 99.686 4.807 -8.700 1.00 0.00 N ATOM 0 H LYS A 30 95.371 2.886 -5.711 1.00 0.00 H new ATOM 0 HA LYS A 30 96.250 0.543 -4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 30 98.507 1.430 -5.263 1.00 0.00 H new ATOM 0 HB3 LYS A 30 97.282 0.749 -6.314 1.00 0.00 H new ATOM 0 HG2 LYS A 30 96.490 2.921 -6.994 1.00 0.00 H new ATOM 0 HG3 LYS A 30 97.295 3.726 -5.662 1.00 0.00 H new ATOM 0 HD2 LYS A 30 99.494 3.327 -6.626 1.00 0.00 H new ATOM 0 HD3 LYS A 30 98.848 2.206 -7.808 1.00 0.00 H new ATOM 0 HE2 LYS A 30 97.777 3.942 -9.062 1.00 0.00 H new ATOM 0 HE3 LYS A 30 97.816 5.067 -7.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 99.520 5.596 -9.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 100.245 5.143 -7.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 100.206 4.052 -9.191 1.00 0.00 H new ATOM 524 N GLU A 31 96.683 3.479 -2.985 1.00 0.00 N ATOM 525 CA GLU A 31 97.251 4.254 -1.837 1.00 0.00 C ATOM 526 C GLU A 31 96.138 4.708 -0.889 1.00 0.00 C ATOM 527 O GLU A 31 96.399 5.348 0.110 1.00 0.00 O ATOM 528 CB GLU A 31 97.970 5.485 -2.387 1.00 0.00 C ATOM 529 CG GLU A 31 99.169 5.047 -3.225 1.00 0.00 C ATOM 530 CD GLU A 31 100.111 6.233 -3.443 1.00 0.00 C ATOM 531 OE1 GLU A 31 100.834 6.568 -2.519 1.00 0.00 O ATOM 532 OE2 GLU A 31 100.095 6.785 -4.531 1.00 0.00 O ATOM 0 H GLU A 31 95.953 3.962 -3.508 1.00 0.00 H new ATOM 0 HA GLU A 31 97.943 3.618 -1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 31 97.286 6.077 -2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 31 98.300 6.122 -1.567 1.00 0.00 H new ATOM 0 HG2 GLU A 31 99.699 4.238 -2.723 1.00 0.00 H new ATOM 0 HG3 GLU A 31 98.830 4.659 -4.186 1.00 0.00 H new ATOM 539 N CYS A 32 94.904 4.393 -1.175 1.00 0.00 N ATOM 540 CA CYS A 32 93.817 4.833 -0.252 1.00 0.00 C ATOM 541 C CYS A 32 92.469 4.235 -0.672 1.00 0.00 C ATOM 542 O CYS A 32 92.280 3.805 -1.793 1.00 0.00 O ATOM 543 CB CYS A 32 93.728 6.377 -0.267 1.00 0.00 C ATOM 544 SG CYS A 32 94.426 7.013 -1.813 1.00 0.00 S ATOM 0 H CYS A 32 94.604 3.860 -1.991 1.00 0.00 H new ATOM 0 HA CYS A 32 94.049 4.483 0.754 1.00 0.00 H new ATOM 0 HB2 CYS A 32 92.689 6.692 -0.169 1.00 0.00 H new ATOM 0 HB3 CYS A 32 94.268 6.790 0.585 1.00 0.00 H new ATOM 0 HG CYS A 32 94.348 8.311 -1.823 1.00 0.00 H new ATOM 550 N VAL A 33 91.522 4.253 0.234 1.00 0.00 N ATOM 551 CA VAL A 33 90.149 3.742 -0.060 1.00 0.00 C ATOM 552 C VAL A 33 89.196 4.906 0.179 1.00 0.00 C ATOM 553 O VAL A 33 89.469 5.760 1.000 1.00 0.00 O ATOM 554 CB VAL A 33 89.807 2.578 0.876 1.00 0.00 C ATOM 555 CG1 VAL A 33 88.394 2.077 0.575 1.00 0.00 C ATOM 556 CG2 VAL A 33 90.807 1.441 0.657 1.00 0.00 C ATOM 0 H VAL A 33 91.647 4.607 1.182 1.00 0.00 H new ATOM 0 HA VAL A 33 90.075 3.374 -1.083 1.00 0.00 H new ATOM 0 HB VAL A 33 89.858 2.917 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 33 88.152 1.249 1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 33 87.681 2.887 0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 33 88.341 1.738 -0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 33 90.566 0.611 1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 33 90.754 1.104 -0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 33 91.815 1.797 0.871 1.00 0.00 H new ATOM 566 N MET A 34 88.105 4.994 -0.542 1.00 0.00 N ATOM 567 CA MET A 34 87.190 6.165 -0.345 1.00 0.00 C ATOM 568 C MET A 34 85.734 5.754 -0.432 1.00 0.00 C ATOM 569 O MET A 34 85.370 4.822 -1.119 1.00 0.00 O ATOM 570 CB MET A 34 87.480 7.233 -1.410 1.00 0.00 C ATOM 571 CG MET A 34 87.548 6.599 -2.806 1.00 0.00 C ATOM 572 SD MET A 34 88.358 7.746 -3.949 1.00 0.00 S ATOM 573 CE MET A 34 86.913 8.772 -4.310 1.00 0.00 C ATOM 0 H MET A 34 87.810 4.319 -1.247 1.00 0.00 H new ATOM 0 HA MET A 34 87.372 6.568 0.651 1.00 0.00 H new ATOM 0 HB2 MET A 34 86.702 7.996 -1.389 1.00 0.00 H new ATOM 0 HB3 MET A 34 88.422 7.732 -1.185 1.00 0.00 H new ATOM 0 HG2 MET A 34 88.100 5.660 -2.764 1.00 0.00 H new ATOM 0 HG3 MET A 34 86.544 6.364 -3.160 1.00 0.00 H new ATOM 0 HE1 MET A 34 86.825 8.910 -5.388 1.00 0.00 H new ATOM 0 HE2 MET A 34 86.015 8.282 -3.932 1.00 0.00 H new ATOM 0 HE3 MET A 34 87.027 9.743 -3.828 1.00 0.00 H new ATOM 583 N ARG A 35 84.889 6.474 0.258 1.00 0.00 N ATOM 584 CA ARG A 35 83.434 6.154 0.215 1.00 0.00 C ATOM 585 C ARG A 35 82.810 6.998 -0.884 1.00 0.00 C ATOM 586 O ARG A 35 83.099 8.171 -1.018 1.00 0.00 O ATOM 587 CB ARG A 35 82.769 6.514 1.548 1.00 0.00 C ATOM 588 CG ARG A 35 83.098 5.459 2.616 1.00 0.00 C ATOM 589 CD ARG A 35 82.095 5.566 3.773 1.00 0.00 C ATOM 590 NE ARG A 35 81.686 6.990 3.941 1.00 0.00 N ATOM 591 CZ ARG A 35 80.671 7.296 4.703 1.00 0.00 C ATOM 592 NH1 ARG A 35 80.008 6.355 5.319 1.00 0.00 N ATOM 593 NH2 ARG A 35 80.321 8.543 4.851 1.00 0.00 N ATOM 0 H ARG A 35 85.143 7.267 0.847 1.00 0.00 H new ATOM 0 HA ARG A 35 83.294 5.089 0.029 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.112 7.494 1.879 1.00 0.00 H new ATOM 0 HB3 ARG A 35 81.689 6.582 1.416 1.00 0.00 H new ATOM 0 HG2 ARG A 35 83.060 4.461 2.179 1.00 0.00 H new ATOM 0 HG3 ARG A 35 84.113 5.606 2.986 1.00 0.00 H new ATOM 0 HD2 ARG A 35 81.221 4.946 3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 35 82.544 5.193 4.694 1.00 0.00 H new ATOM 0 HE ARG A 35 82.201 7.727 3.459 1.00 0.00 H new ATOM 0 HH11 ARG A 35 80.283 5.379 5.205 1.00 0.00 H new ATOM 0 HH12 ARG A 35 79.215 6.596 5.914 1.00 0.00 H new ATOM 0 HH21 ARG A 35 80.840 9.279 4.372 1.00 0.00 H new ATOM 0 HH22 ARG A 35 79.528 8.783 5.446 1.00 0.00 H new ATOM 607 N VAL A 36 81.966 6.407 -1.681 1.00 0.00 N ATOM 608 CA VAL A 36 81.324 7.158 -2.791 1.00 0.00 C ATOM 609 C VAL A 36 79.841 6.796 -2.834 1.00 0.00 C ATOM 610 O VAL A 36 79.478 5.642 -2.942 1.00 0.00 O ATOM 611 CB VAL A 36 82.004 6.767 -4.104 1.00 0.00 C ATOM 612 CG1 VAL A 36 81.410 7.578 -5.260 1.00 0.00 C ATOM 613 CG2 VAL A 36 83.507 7.048 -4.004 1.00 0.00 C ATOM 0 H VAL A 36 81.692 5.427 -1.609 1.00 0.00 H new ATOM 0 HA VAL A 36 81.426 8.233 -2.641 1.00 0.00 H new ATOM 0 HB VAL A 36 81.841 5.705 -4.289 1.00 0.00 H new ATOM 0 HG11 VAL A 36 81.899 7.295 -6.192 1.00 0.00 H new ATOM 0 HG12 VAL A 36 80.341 7.376 -5.335 1.00 0.00 H new ATOM 0 HG13 VAL A 36 81.567 8.641 -5.077 1.00 0.00 H new ATOM 0 HG21 VAL A 36 83.992 6.770 -4.939 1.00 0.00 H new ATOM 0 HG22 VAL A 36 83.667 8.109 -3.814 1.00 0.00 H new ATOM 0 HG23 VAL A 36 83.933 6.465 -3.187 1.00 0.00 H new ATOM 623 N ASP A 37 78.982 7.770 -2.743 1.00 0.00 N ATOM 624 CA ASP A 37 77.527 7.475 -2.774 1.00 0.00 C ATOM 625 C ASP A 37 77.136 7.049 -4.183 1.00 0.00 C ATOM 626 O ASP A 37 77.688 7.510 -5.155 1.00 0.00 O ATOM 627 CB ASP A 37 76.739 8.729 -2.382 1.00 0.00 C ATOM 628 CG ASP A 37 75.303 8.343 -2.020 1.00 0.00 C ATOM 629 OD1 ASP A 37 74.770 7.452 -2.661 1.00 0.00 O ATOM 630 OD2 ASP A 37 74.761 8.945 -1.108 1.00 0.00 O ATOM 0 H ASP A 37 79.225 8.756 -2.649 1.00 0.00 H new ATOM 0 HA ASP A 37 77.300 6.674 -2.070 1.00 0.00 H new ATOM 0 HB2 ASP A 37 77.218 9.221 -1.536 1.00 0.00 H new ATOM 0 HB3 ASP A 37 76.737 9.442 -3.207 1.00 0.00 H new ATOM 635 N GLU A 38 76.178 6.183 -4.295 1.00 0.00 N ATOM 636 CA GLU A 38 75.725 5.727 -5.635 1.00 0.00 C ATOM 637 C GLU A 38 74.613 6.662 -6.072 1.00 0.00 C ATOM 638 O GLU A 38 74.340 6.856 -7.240 1.00 0.00 O ATOM 639 CB GLU A 38 75.196 4.307 -5.491 1.00 0.00 C ATOM 640 CG GLU A 38 75.038 3.646 -6.856 1.00 0.00 C ATOM 641 CD GLU A 38 73.889 4.307 -7.618 1.00 0.00 C ATOM 642 OE1 GLU A 38 72.945 4.736 -6.974 1.00 0.00 O ATOM 643 OE2 GLU A 38 73.972 4.375 -8.833 1.00 0.00 O ATOM 0 H GLU A 38 75.682 5.765 -3.508 1.00 0.00 H new ATOM 0 HA GLU A 38 76.530 5.737 -6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 38 75.878 3.721 -4.875 1.00 0.00 H new ATOM 0 HB3 GLU A 38 74.235 4.323 -4.976 1.00 0.00 H new ATOM 0 HG2 GLU A 38 75.964 3.737 -7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 38 74.842 2.581 -6.735 1.00 0.00 H new ATOM 650 N LYS A 39 73.985 7.243 -5.104 1.00 0.00 N ATOM 651 CA LYS A 39 72.881 8.188 -5.357 1.00 0.00 C ATOM 652 C LYS A 39 73.434 9.453 -6.003 1.00 0.00 C ATOM 653 O LYS A 39 72.960 9.902 -7.028 1.00 0.00 O ATOM 654 CB LYS A 39 72.252 8.535 -4.014 1.00 0.00 C ATOM 655 CG LYS A 39 71.054 9.463 -4.219 1.00 0.00 C ATOM 656 CD LYS A 39 70.451 9.819 -2.860 1.00 0.00 C ATOM 657 CE LYS A 39 69.080 10.466 -3.062 1.00 0.00 C ATOM 658 NZ LYS A 39 69.243 11.754 -3.796 1.00 0.00 N ATOM 0 H LYS A 39 74.198 7.097 -4.117 1.00 0.00 H new ATOM 0 HA LYS A 39 72.141 7.746 -6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 39 71.934 7.624 -3.507 1.00 0.00 H new ATOM 0 HB3 LYS A 39 72.989 9.017 -3.372 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.366 10.368 -4.740 1.00 0.00 H new ATOM 0 HG3 LYS A 39 70.306 8.977 -4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.355 8.923 -2.247 1.00 0.00 H new ATOM 0 HD3 LYS A 39 71.111 10.502 -2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 39 68.428 9.796 -3.622 1.00 0.00 H new ATOM 0 HE3 LYS A 39 68.603 10.642 -2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 68.343 12.275 -3.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 69.979 12.326 -3.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 69.520 11.560 -4.779 1.00 0.00 H new ATOM 672 N THR A 40 74.432 10.036 -5.397 1.00 0.00 N ATOM 673 CA THR A 40 75.032 11.289 -5.948 1.00 0.00 C ATOM 674 C THR A 40 76.345 10.976 -6.668 1.00 0.00 C ATOM 675 O THR A 40 76.972 11.857 -7.224 1.00 0.00 O ATOM 676 CB THR A 40 75.311 12.264 -4.800 1.00 0.00 C ATOM 677 OG1 THR A 40 76.089 11.612 -3.807 1.00 0.00 O ATOM 678 CG2 THR A 40 73.990 12.734 -4.188 1.00 0.00 C ATOM 0 H THR A 40 74.862 9.697 -4.537 1.00 0.00 H new ATOM 0 HA THR A 40 74.333 11.734 -6.656 1.00 0.00 H new ATOM 0 HB THR A 40 75.856 13.127 -5.183 1.00 0.00 H new ATOM 0 HG1 THR A 40 76.270 12.235 -3.072 1.00 0.00 H new ATOM 0 HG21 THR A 40 74.193 13.427 -3.372 1.00 0.00 H new ATOM 0 HG22 THR A 40 73.394 13.236 -4.950 1.00 0.00 H new ATOM 0 HG23 THR A 40 73.440 11.874 -3.805 1.00 0.00 H new ATOM 686 N LYS A 41 76.782 9.742 -6.669 1.00 0.00 N ATOM 687 CA LYS A 41 78.064 9.427 -7.366 1.00 0.00 C ATOM 688 C LYS A 41 79.144 10.400 -6.881 1.00 0.00 C ATOM 689 O LYS A 41 80.101 10.678 -7.577 1.00 0.00 O ATOM 690 CB LYS A 41 77.870 9.583 -8.879 1.00 0.00 C ATOM 691 CG LYS A 41 76.741 8.656 -9.358 1.00 0.00 C ATOM 692 CD LYS A 41 76.186 9.161 -10.693 1.00 0.00 C ATOM 693 CE LYS A 41 77.270 9.071 -11.768 1.00 0.00 C ATOM 694 NZ LYS A 41 76.650 9.249 -13.111 1.00 0.00 N ATOM 0 H LYS A 41 76.315 8.951 -6.225 1.00 0.00 H new ATOM 0 HA LYS A 41 78.367 8.403 -7.146 1.00 0.00 H new ATOM 0 HB2 LYS A 41 77.629 10.619 -9.119 1.00 0.00 H new ATOM 0 HB3 LYS A 41 78.796 9.342 -9.400 1.00 0.00 H new ATOM 0 HG2 LYS A 41 77.117 7.639 -9.471 1.00 0.00 H new ATOM 0 HG3 LYS A 41 75.946 8.621 -8.613 1.00 0.00 H new ATOM 0 HD2 LYS A 41 75.320 8.568 -10.986 1.00 0.00 H new ATOM 0 HD3 LYS A 41 75.847 10.192 -10.590 1.00 0.00 H new ATOM 0 HE2 LYS A 41 78.028 9.836 -11.601 1.00 0.00 H new ATOM 0 HE3 LYS A 41 77.774 8.106 -11.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 77.386 9.188 -13.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 75.942 8.503 -13.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 76.189 10.180 -13.160 1.00 0.00 H new ATOM 708 N GLU A 42 78.987 10.924 -5.688 1.00 0.00 N ATOM 709 CA GLU A 42 79.989 11.893 -5.134 1.00 0.00 C ATOM 710 C GLU A 42 80.866 11.181 -4.095 1.00 0.00 C ATOM 711 O GLU A 42 80.529 10.123 -3.608 1.00 0.00 O ATOM 712 CB GLU A 42 79.235 13.073 -4.477 1.00 0.00 C ATOM 713 CG GLU A 42 79.754 14.412 -5.010 1.00 0.00 C ATOM 714 CD GLU A 42 79.434 14.530 -6.502 1.00 0.00 C ATOM 715 OE1 GLU A 42 78.430 13.975 -6.918 1.00 0.00 O ATOM 716 OE2 GLU A 42 80.199 15.172 -7.203 1.00 0.00 O ATOM 0 H GLU A 42 78.202 10.721 -5.069 1.00 0.00 H new ATOM 0 HA GLU A 42 80.626 12.272 -5.933 1.00 0.00 H new ATOM 0 HB2 GLU A 42 78.167 12.985 -4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 42 79.360 13.034 -3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 42 79.294 15.235 -4.463 1.00 0.00 H new ATOM 0 HG3 GLU A 42 80.830 14.485 -4.852 1.00 0.00 H new ATOM 723 N VAL A 43 81.982 11.767 -3.751 1.00 0.00 N ATOM 724 CA VAL A 43 82.888 11.142 -2.740 1.00 0.00 C ATOM 725 C VAL A 43 82.438 11.544 -1.338 1.00 0.00 C ATOM 726 O VAL A 43 82.320 12.713 -1.026 1.00 0.00 O ATOM 727 CB VAL A 43 84.319 11.627 -2.974 1.00 0.00 C ATOM 728 CG1 VAL A 43 85.230 11.097 -1.866 1.00 0.00 C ATOM 729 CG2 VAL A 43 84.812 11.116 -4.328 1.00 0.00 C ATOM 0 H VAL A 43 82.308 12.657 -4.128 1.00 0.00 H new ATOM 0 HA VAL A 43 82.850 10.057 -2.837 1.00 0.00 H new ATOM 0 HB VAL A 43 84.338 12.717 -2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 43 86.249 11.444 -2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 43 84.878 11.461 -0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 43 85.213 10.007 -1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 43 85.832 11.460 -4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 43 84.791 10.026 -4.335 1.00 0.00 H new ATOM 0 HG23 VAL A 43 84.165 11.497 -5.118 1.00 0.00 H new ATOM 739 N ILE A 44 82.177 10.581 -0.488 1.00 0.00 N ATOM 740 CA ILE A 44 81.722 10.897 0.897 1.00 0.00 C ATOM 741 C ILE A 44 82.885 10.761 1.884 1.00 0.00 C ATOM 742 O ILE A 44 82.892 11.383 2.927 1.00 0.00 O ATOM 743 CB ILE A 44 80.605 9.931 1.289 1.00 0.00 C ATOM 744 CG1 ILE A 44 79.575 9.847 0.154 1.00 0.00 C ATOM 745 CG2 ILE A 44 79.926 10.432 2.564 1.00 0.00 C ATOM 746 CD1 ILE A 44 79.122 11.254 -0.257 1.00 0.00 C ATOM 0 H ILE A 44 82.261 9.586 -0.697 1.00 0.00 H new ATOM 0 HA ILE A 44 81.355 11.923 0.927 1.00 0.00 H new ATOM 0 HB ILE A 44 81.025 8.941 1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 44 80.009 9.332 -0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 44 78.715 9.260 0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 44 79.129 9.744 2.846 1.00 0.00 H new ATOM 0 HG22 ILE A 44 80.659 10.487 3.369 1.00 0.00 H new ATOM 0 HG23 ILE A 44 79.506 11.422 2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 44 78.392 11.180 -1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 44 78.669 11.755 0.599 1.00 0.00 H new ATOM 0 HD13 ILE A 44 79.983 11.828 -0.599 1.00 0.00 H new ATOM 758 N GLN A 45 83.868 9.952 1.582 1.00 0.00 N ATOM 759 CA GLN A 45 85.009 9.798 2.540 1.00 0.00 C ATOM 760 C GLN A 45 86.287 9.363 1.806 1.00 0.00 C ATOM 761 O GLN A 45 86.264 8.932 0.674 1.00 0.00 O ATOM 762 CB GLN A 45 84.639 8.751 3.608 1.00 0.00 C ATOM 763 CG GLN A 45 85.346 9.058 4.939 1.00 0.00 C ATOM 764 CD GLN A 45 84.559 10.114 5.718 1.00 0.00 C ATOM 765 OE1 GLN A 45 83.345 10.152 5.660 1.00 0.00 O ATOM 766 NE2 GLN A 45 85.204 10.980 6.449 1.00 0.00 N ATOM 0 H GLN A 45 83.933 9.398 0.728 1.00 0.00 H new ATOM 0 HA GLN A 45 85.200 10.761 3.015 1.00 0.00 H new ATOM 0 HB2 GLN A 45 83.559 8.743 3.758 1.00 0.00 H new ATOM 0 HB3 GLN A 45 84.920 7.756 3.262 1.00 0.00 H new ATOM 0 HG2 GLN A 45 85.434 8.148 5.532 1.00 0.00 H new ATOM 0 HG3 GLN A 45 86.359 9.414 4.749 1.00 0.00 H new ATOM 0 HE21 GLN A 45 86.222 10.948 6.498 1.00 0.00 H new ATOM 0 HE22 GLN A 45 84.690 11.689 6.972 1.00 0.00 H new ATOM 775 N GLU A 46 87.395 9.476 2.482 1.00 0.00 N ATOM 776 CA GLU A 46 88.722 9.083 1.917 1.00 0.00 C ATOM 777 C GLU A 46 89.511 8.383 3.029 1.00 0.00 C ATOM 778 O GLU A 46 89.443 8.773 4.178 1.00 0.00 O ATOM 779 CB GLU A 46 89.474 10.341 1.447 1.00 0.00 C ATOM 780 CG GLU A 46 89.125 10.640 -0.014 1.00 0.00 C ATOM 781 CD GLU A 46 89.911 11.864 -0.488 1.00 0.00 C ATOM 782 OE1 GLU A 46 89.825 12.889 0.168 1.00 0.00 O ATOM 783 OE2 GLU A 46 90.586 11.756 -1.498 1.00 0.00 O ATOM 0 H GLU A 46 87.440 9.836 3.435 1.00 0.00 H new ATOM 0 HA GLU A 46 88.598 8.416 1.064 1.00 0.00 H new ATOM 0 HB2 GLU A 46 89.207 11.191 2.075 1.00 0.00 H new ATOM 0 HB3 GLU A 46 90.549 10.193 1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 46 89.362 9.779 -0.639 1.00 0.00 H new ATOM 0 HG3 GLU A 46 88.055 10.821 -0.113 1.00 0.00 H new ATOM 790 N TRP A 47 90.246 7.344 2.710 1.00 0.00 N ATOM 791 CA TRP A 47 91.020 6.617 3.766 1.00 0.00 C ATOM 792 C TRP A 47 92.392 6.218 3.234 1.00 0.00 C ATOM 793 O TRP A 47 92.578 6.019 2.052 1.00 0.00 O ATOM 794 CB TRP A 47 90.267 5.351 4.166 1.00 0.00 C ATOM 795 CG TRP A 47 88.957 5.714 4.788 1.00 0.00 C ATOM 796 CD1 TRP A 47 87.809 5.933 4.106 1.00 0.00 C ATOM 797 CD2 TRP A 47 88.636 5.898 6.198 1.00 0.00 C ATOM 798 NE1 TRP A 47 86.806 6.240 5.007 1.00 0.00 N ATOM 799 CE2 TRP A 47 87.265 6.232 6.307 1.00 0.00 C ATOM 800 CE3 TRP A 47 89.392 5.811 7.381 1.00 0.00 C ATOM 801 CZ2 TRP A 47 86.665 6.468 7.541 1.00 0.00 C ATOM 802 CZ3 TRP A 47 88.790 6.049 8.628 1.00 0.00 C ATOM 803 CH2 TRP A 47 87.429 6.378 8.708 1.00 0.00 C ATOM 0 H TRP A 47 90.343 6.969 1.766 1.00 0.00 H new ATOM 0 HA TRP A 47 91.140 7.275 4.627 1.00 0.00 H new ATOM 0 HB2 TRP A 47 90.102 4.723 3.290 1.00 0.00 H new ATOM 0 HB3 TRP A 47 90.864 4.769 4.868 1.00 0.00 H new ATOM 0 HD1 TRP A 47 87.695 5.877 3.034 1.00 0.00 H new ATOM 0 HE1 TRP A 47 85.843 6.447 4.742 1.00 0.00 H new ATOM 0 HE3 TRP A 47 90.441 5.560 7.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 85.616 6.719 7.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 89.379 5.978 9.531 1.00 0.00 H new ATOM 0 HH2 TRP A 47 86.972 6.561 9.669 1.00 0.00 H new ATOM 814 N SER A 48 93.351 6.070 4.106 1.00 0.00 N ATOM 815 CA SER A 48 94.710 5.653 3.662 1.00 0.00 C ATOM 816 C SER A 48 94.755 4.125 3.615 1.00 0.00 C ATOM 817 O SER A 48 94.199 3.453 4.460 1.00 0.00 O ATOM 818 CB SER A 48 95.755 6.173 4.646 1.00 0.00 C ATOM 819 OG SER A 48 95.964 7.560 4.418 1.00 0.00 O ATOM 0 H SER A 48 93.251 6.220 5.110 1.00 0.00 H new ATOM 0 HA SER A 48 94.925 6.063 2.675 1.00 0.00 H new ATOM 0 HB2 SER A 48 95.421 6.007 5.670 1.00 0.00 H new ATOM 0 HB3 SER A 48 96.691 5.627 4.523 1.00 0.00 H new ATOM 0 HG SER A 48 96.633 7.898 5.049 1.00 0.00 H new ATOM 825 N LEU A 49 95.394 3.567 2.627 1.00 0.00 N ATOM 826 CA LEU A 49 95.450 2.084 2.525 1.00 0.00 C ATOM 827 C LEU A 49 96.257 1.513 3.699 1.00 0.00 C ATOM 828 O LEU A 49 96.064 0.384 4.105 1.00 0.00 O ATOM 829 CB LEU A 49 96.110 1.705 1.182 1.00 0.00 C ATOM 830 CG LEU A 49 95.419 0.481 0.575 1.00 0.00 C ATOM 831 CD1 LEU A 49 96.021 0.189 -0.801 1.00 0.00 C ATOM 832 CD2 LEU A 49 95.616 -0.728 1.495 1.00 0.00 C ATOM 0 H LEU A 49 95.879 4.073 1.886 1.00 0.00 H new ATOM 0 HA LEU A 49 94.444 1.667 2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 49 96.050 2.545 0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 49 97.168 1.494 1.336 1.00 0.00 H new ATOM 0 HG LEU A 49 94.352 0.679 0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 49 95.531 -0.682 -1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 49 95.874 1.050 -1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 49 97.088 -0.010 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 49 95.124 -1.599 1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 49 96.681 -0.931 1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 49 95.183 -0.516 2.473 1.00 0.00 H new ATOM 844 N THR A 50 97.163 2.280 4.240 1.00 0.00 N ATOM 845 CA THR A 50 97.982 1.777 5.376 1.00 0.00 C ATOM 846 C THR A 50 97.174 1.856 6.673 1.00 0.00 C ATOM 847 O THR A 50 97.623 1.434 7.720 1.00 0.00 O ATOM 848 CB THR A 50 99.245 2.629 5.513 1.00 0.00 C ATOM 849 OG1 THR A 50 98.895 4.005 5.458 1.00 0.00 O ATOM 850 CG2 THR A 50 100.212 2.300 4.375 1.00 0.00 C ATOM 0 H THR A 50 97.371 3.234 3.944 1.00 0.00 H new ATOM 0 HA THR A 50 98.259 0.740 5.186 1.00 0.00 H new ATOM 0 HB THR A 50 99.726 2.414 6.467 1.00 0.00 H new ATOM 0 HG1 THR A 50 99.703 4.552 5.547 1.00 0.00 H new ATOM 0 HG21 THR A 50 101.111 2.908 4.474 1.00 0.00 H new ATOM 0 HG22 THR A 50 100.481 1.245 4.420 1.00 0.00 H new ATOM 0 HG23 THR A 50 99.734 2.513 3.419 1.00 0.00 H new ATOM 858 N ASN A 51 95.985 2.397 6.617 1.00 0.00 N ATOM 859 CA ASN A 51 95.151 2.506 7.853 1.00 0.00 C ATOM 860 C ASN A 51 94.310 1.238 8.022 1.00 0.00 C ATOM 861 O ASN A 51 93.994 0.837 9.125 1.00 0.00 O ATOM 862 CB ASN A 51 94.226 3.724 7.744 1.00 0.00 C ATOM 863 CG ASN A 51 95.028 5.000 8.009 1.00 0.00 C ATOM 864 OD1 ASN A 51 96.314 5.002 7.792 1.00 0.00 O flip ATOM 865 ND2 ASN A 51 94.478 6.003 8.418 1.00 0.00 N flip ATOM 0 H ASN A 51 95.555 2.768 5.770 1.00 0.00 H new ATOM 0 HA ASN A 51 95.804 2.623 8.718 1.00 0.00 H new ATOM 0 HB2 ASN A 51 93.776 3.764 6.752 1.00 0.00 H new ATOM 0 HB3 ASN A 51 93.410 3.639 8.461 1.00 0.00 H new ATOM 0 HD21 ASN A 51 93.472 6.000 8.587 1.00 0.00 H new ATOM 0 HD22 ASN A 51 95.022 6.848 8.592 1.00 0.00 H new ATOM 872 N ILE A 52 93.946 0.603 6.944 1.00 0.00 N ATOM 873 CA ILE A 52 93.127 -0.637 7.057 1.00 0.00 C ATOM 874 C ILE A 52 93.836 -1.631 7.980 1.00 0.00 C ATOM 875 O ILE A 52 94.921 -2.094 7.691 1.00 0.00 O ATOM 876 CB ILE A 52 92.955 -1.263 5.672 1.00 0.00 C ATOM 877 CG1 ILE A 52 92.485 -0.192 4.681 1.00 0.00 C ATOM 878 CG2 ILE A 52 91.914 -2.382 5.745 1.00 0.00 C ATOM 879 CD1 ILE A 52 92.168 -0.838 3.327 1.00 0.00 C ATOM 0 H ILE A 52 94.179 0.887 5.992 1.00 0.00 H new ATOM 0 HA ILE A 52 92.148 -0.391 7.468 1.00 0.00 H new ATOM 0 HB ILE A 52 93.908 -1.673 5.338 1.00 0.00 H new ATOM 0 HG12 ILE A 52 91.600 0.312 5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 52 93.257 0.568 4.560 1.00 0.00 H new ATOM 0 HG21 ILE A 52 91.790 -2.829 4.759 1.00 0.00 H new ATOM 0 HG22 ILE A 52 92.248 -3.144 6.449 1.00 0.00 H new ATOM 0 HG23 ILE A 52 90.961 -1.971 6.079 1.00 0.00 H new ATOM 0 HD11 ILE A 52 91.835 -0.072 2.627 1.00 0.00 H new ATOM 0 HD12 ILE A 52 93.063 -1.321 2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 52 91.380 -1.581 3.454 1.00 0.00 H new ATOM 891 N LYS A 53 93.232 -1.963 9.091 1.00 0.00 N ATOM 892 CA LYS A 53 93.873 -2.927 10.034 1.00 0.00 C ATOM 893 C LYS A 53 93.495 -4.358 9.641 1.00 0.00 C ATOM 894 O LYS A 53 94.340 -5.223 9.523 1.00 0.00 O ATOM 895 CB LYS A 53 93.393 -2.640 11.460 1.00 0.00 C ATOM 896 CG LYS A 53 94.021 -3.647 12.430 1.00 0.00 C ATOM 897 CD LYS A 53 93.940 -3.107 13.861 1.00 0.00 C ATOM 898 CE LYS A 53 94.559 -4.122 14.827 1.00 0.00 C ATOM 899 NZ LYS A 53 94.838 -3.461 16.133 1.00 0.00 N ATOM 0 H LYS A 53 92.322 -1.608 9.386 1.00 0.00 H new ATOM 0 HA LYS A 53 94.956 -2.816 9.987 1.00 0.00 H new ATOM 0 HB2 LYS A 53 93.665 -1.625 11.748 1.00 0.00 H new ATOM 0 HB3 LYS A 53 92.306 -2.704 11.508 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.502 -4.603 12.362 1.00 0.00 H new ATOM 0 HG3 LYS A 53 95.061 -3.828 12.158 1.00 0.00 H new ATOM 0 HD2 LYS A 53 94.466 -2.155 13.932 1.00 0.00 H new ATOM 0 HD3 LYS A 53 92.901 -2.919 14.131 1.00 0.00 H new ATOM 0 HE2 LYS A 53 93.881 -4.963 14.971 1.00 0.00 H new ATOM 0 HE3 LYS A 53 95.481 -4.524 14.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 95.258 -4.151 16.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 95.501 -2.672 15.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 93.950 -3.098 16.535 1.00 0.00 H new ATOM 913 N ARG A 54 92.230 -4.617 9.434 1.00 0.00 N ATOM 914 CA ARG A 54 91.799 -5.994 9.046 1.00 0.00 C ATOM 915 C ARG A 54 90.503 -5.913 8.240 1.00 0.00 C ATOM 916 O ARG A 54 89.926 -4.856 8.077 1.00 0.00 O ATOM 917 CB ARG A 54 91.544 -6.834 10.306 1.00 0.00 C ATOM 918 CG ARG A 54 90.622 -6.062 11.269 1.00 0.00 C ATOM 919 CD ARG A 54 89.848 -7.033 12.168 1.00 0.00 C ATOM 920 NE ARG A 54 89.366 -6.295 13.371 1.00 0.00 N ATOM 921 CZ ARG A 54 88.486 -6.840 14.165 1.00 0.00 C ATOM 922 NH1 ARG A 54 88.032 -8.036 13.910 1.00 0.00 N ATOM 923 NH2 ARG A 54 88.057 -6.188 15.212 1.00 0.00 N ATOM 0 H ARG A 54 91.476 -3.935 9.517 1.00 0.00 H new ATOM 0 HA ARG A 54 92.584 -6.457 8.448 1.00 0.00 H new ATOM 0 HB2 ARG A 54 91.086 -7.785 10.034 1.00 0.00 H new ATOM 0 HB3 ARG A 54 92.489 -7.064 10.798 1.00 0.00 H new ATOM 0 HG2 ARG A 54 91.214 -5.383 11.883 1.00 0.00 H new ATOM 0 HG3 ARG A 54 89.923 -5.449 10.699 1.00 0.00 H new ATOM 0 HD2 ARG A 54 89.005 -7.460 11.625 1.00 0.00 H new ATOM 0 HD3 ARG A 54 90.488 -7.863 12.466 1.00 0.00 H new ATOM 0 HE ARG A 54 89.725 -5.362 13.573 1.00 0.00 H new ATOM 0 HH11 ARG A 54 88.365 -8.544 13.091 1.00 0.00 H new ATOM 0 HH12 ARG A 54 87.344 -8.463 14.530 1.00 0.00 H new ATOM 0 HH21 ARG A 54 88.410 -5.252 15.410 1.00 0.00 H new ATOM 0 HH22 ARG A 54 87.369 -6.615 15.832 1.00 0.00 H new ATOM 937 N TRP A 55 90.032 -7.024 7.749 1.00 0.00 N ATOM 938 CA TRP A 55 88.761 -7.013 6.971 1.00 0.00 C ATOM 939 C TRP A 55 88.140 -8.400 6.982 1.00 0.00 C ATOM 940 O TRP A 55 88.735 -9.356 7.420 1.00 0.00 O ATOM 941 CB TRP A 55 89.024 -6.594 5.522 1.00 0.00 C ATOM 942 CG TRP A 55 90.009 -7.526 4.892 1.00 0.00 C ATOM 943 CD1 TRP A 55 89.746 -8.797 4.506 1.00 0.00 C ATOM 944 CD2 TRP A 55 91.403 -7.279 4.557 1.00 0.00 C ATOM 945 NE1 TRP A 55 90.896 -9.346 3.964 1.00 0.00 N ATOM 946 CE2 TRP A 55 91.943 -8.447 3.970 1.00 0.00 C ATOM 947 CE3 TRP A 55 92.243 -6.164 4.707 1.00 0.00 C ATOM 948 CZ2 TRP A 55 93.270 -8.506 3.545 1.00 0.00 C ATOM 949 CZ3 TRP A 55 93.578 -6.218 4.281 1.00 0.00 C ATOM 950 CH2 TRP A 55 94.091 -7.388 3.699 1.00 0.00 C ATOM 0 H TRP A 55 90.471 -7.939 7.852 1.00 0.00 H new ATOM 0 HA TRP A 55 88.080 -6.298 7.432 1.00 0.00 H new ATOM 0 HB2 TRP A 55 88.092 -6.601 4.958 1.00 0.00 H new ATOM 0 HB3 TRP A 55 89.406 -5.574 5.493 1.00 0.00 H new ATOM 0 HD1 TRP A 55 88.795 -9.300 4.605 1.00 0.00 H new ATOM 0 HE1 TRP A 55 90.961 -10.298 3.604 1.00 0.00 H new ATOM 0 HE3 TRP A 55 91.859 -5.259 5.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 93.659 -9.410 3.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 94.215 -5.354 4.401 1.00 0.00 H new ATOM 0 HH2 TRP A 55 95.119 -7.423 3.371 1.00 0.00 H new ATOM 961 N ALA A 56 86.941 -8.512 6.497 1.00 0.00 N ATOM 962 CA ALA A 56 86.265 -9.838 6.454 1.00 0.00 C ATOM 963 C ALA A 56 85.354 -9.863 5.228 1.00 0.00 C ATOM 964 O ALA A 56 84.353 -9.175 5.177 1.00 0.00 O ATOM 965 CB ALA A 56 85.442 -10.040 7.726 1.00 0.00 C ATOM 0 H ALA A 56 86.393 -7.737 6.124 1.00 0.00 H new ATOM 0 HA ALA A 56 87.001 -10.640 6.391 1.00 0.00 H new ATOM 0 HB1 ALA A 56 84.949 -11.012 7.690 1.00 0.00 H new ATOM 0 HB2 ALA A 56 86.099 -9.998 8.595 1.00 0.00 H new ATOM 0 HB3 ALA A 56 84.690 -9.254 7.802 1.00 0.00 H new ATOM 971 N ALA A 57 85.697 -10.632 4.228 1.00 0.00 N ATOM 972 CA ALA A 57 84.858 -10.680 2.991 1.00 0.00 C ATOM 973 C ALA A 57 83.941 -11.895 3.030 1.00 0.00 C ATOM 974 O ALA A 57 84.375 -13.022 2.898 1.00 0.00 O ATOM 975 CB ALA A 57 85.766 -10.776 1.767 1.00 0.00 C ATOM 0 H ALA A 57 86.523 -11.230 4.213 1.00 0.00 H new ATOM 0 HA ALA A 57 84.253 -9.775 2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 57 85.157 -10.811 0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 57 86.420 -9.905 1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 57 86.370 -11.681 1.832 1.00 0.00 H new ATOM 981 N SER A 58 82.663 -11.670 3.197 1.00 0.00 N ATOM 982 CA SER A 58 81.694 -12.796 3.232 1.00 0.00 C ATOM 983 C SER A 58 81.080 -12.943 1.827 1.00 0.00 C ATOM 984 O SER A 58 81.112 -12.006 1.054 1.00 0.00 O ATOM 985 CB SER A 58 80.602 -12.481 4.269 1.00 0.00 C ATOM 986 OG SER A 58 80.878 -13.195 5.467 1.00 0.00 O ATOM 0 H SER A 58 82.250 -10.744 3.311 1.00 0.00 H new ATOM 0 HA SER A 58 82.184 -13.728 3.513 1.00 0.00 H new ATOM 0 HB2 SER A 58 80.571 -11.410 4.468 1.00 0.00 H new ATOM 0 HB3 SER A 58 79.623 -12.762 3.881 1.00 0.00 H new ATOM 0 HG SER A 58 80.186 -12.997 6.133 1.00 0.00 H new ATOM 992 N PRO A 59 80.537 -14.101 1.527 1.00 0.00 N ATOM 993 CA PRO A 59 79.918 -14.344 0.209 1.00 0.00 C ATOM 994 C PRO A 59 78.775 -13.346 -0.045 1.00 0.00 C ATOM 995 O PRO A 59 78.082 -13.437 -1.039 1.00 0.00 O ATOM 996 CB PRO A 59 79.380 -15.794 0.293 1.00 0.00 C ATOM 997 CG PRO A 59 79.558 -16.264 1.763 1.00 0.00 C ATOM 998 CD PRO A 59 80.491 -15.255 2.454 1.00 0.00 C ATOM 0 HA PRO A 59 80.623 -14.215 -0.612 1.00 0.00 H new ATOM 0 HB2 PRO A 59 78.331 -15.833 0.001 1.00 0.00 H new ATOM 0 HB3 PRO A 59 79.925 -16.447 -0.389 1.00 0.00 H new ATOM 0 HG2 PRO A 59 78.595 -16.308 2.272 1.00 0.00 H new ATOM 0 HG3 PRO A 59 79.983 -17.267 1.797 1.00 0.00 H new ATOM 0 HD2 PRO A 59 80.107 -14.964 3.432 1.00 0.00 H new ATOM 0 HD3 PRO A 59 81.484 -15.676 2.614 1.00 0.00 H new ATOM 1006 N LYS A 60 78.552 -12.411 0.847 1.00 0.00 N ATOM 1007 CA LYS A 60 77.430 -11.443 0.640 1.00 0.00 C ATOM 1008 C LYS A 60 77.767 -10.064 1.210 1.00 0.00 C ATOM 1009 O LYS A 60 77.075 -9.102 0.948 1.00 0.00 O ATOM 1010 CB LYS A 60 76.204 -11.975 1.370 1.00 0.00 C ATOM 1011 CG LYS A 60 76.510 -12.083 2.866 1.00 0.00 C ATOM 1012 CD LYS A 60 75.493 -13.005 3.534 1.00 0.00 C ATOM 1013 CE LYS A 60 75.567 -12.839 5.054 1.00 0.00 C ATOM 1014 NZ LYS A 60 76.912 -13.264 5.536 1.00 0.00 N ATOM 0 H LYS A 60 79.093 -12.277 1.701 1.00 0.00 H new ATOM 0 HA LYS A 60 77.252 -11.340 -0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 60 75.354 -11.311 1.208 1.00 0.00 H new ATOM 0 HB3 LYS A 60 75.926 -12.951 0.973 1.00 0.00 H new ATOM 0 HG2 LYS A 60 77.518 -12.470 3.014 1.00 0.00 H new ATOM 0 HG3 LYS A 60 76.477 -11.095 3.326 1.00 0.00 H new ATOM 0 HD2 LYS A 60 74.489 -12.771 3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 60 75.693 -14.041 3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 60 75.383 -11.800 5.326 1.00 0.00 H new ATOM 0 HE3 LYS A 60 74.792 -13.436 5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 76.914 -13.297 6.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 77.134 -14.208 5.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 77.628 -12.584 5.210 1.00 0.00 H new ATOM 1028 N SER A 61 78.795 -9.954 2.006 1.00 0.00 N ATOM 1029 CA SER A 61 79.131 -8.617 2.604 1.00 0.00 C ATOM 1030 C SER A 61 80.646 -8.431 2.745 1.00 0.00 C ATOM 1031 O SER A 61 81.411 -9.375 2.743 1.00 0.00 O ATOM 1032 CB SER A 61 78.488 -8.515 3.986 1.00 0.00 C ATOM 1033 OG SER A 61 79.131 -7.489 4.730 1.00 0.00 O ATOM 0 H SER A 61 79.415 -10.720 2.270 1.00 0.00 H new ATOM 0 HA SER A 61 78.750 -7.840 1.941 1.00 0.00 H new ATOM 0 HB2 SER A 61 77.424 -8.298 3.889 1.00 0.00 H new ATOM 0 HB3 SER A 61 78.572 -9.467 4.510 1.00 0.00 H new ATOM 0 HG SER A 61 78.960 -6.622 4.307 1.00 0.00 H new ATOM 1039 N PHE A 62 81.068 -7.196 2.879 1.00 0.00 N ATOM 1040 CA PHE A 62 82.523 -6.874 3.038 1.00 0.00 C ATOM 1041 C PHE A 62 82.688 -5.959 4.255 1.00 0.00 C ATOM 1042 O PHE A 62 81.879 -5.083 4.486 1.00 0.00 O ATOM 1043 CB PHE A 62 83.029 -6.146 1.789 1.00 0.00 C ATOM 1044 CG PHE A 62 84.491 -5.788 1.962 1.00 0.00 C ATOM 1045 CD1 PHE A 62 85.451 -6.801 2.072 1.00 0.00 C ATOM 1046 CD2 PHE A 62 84.888 -4.444 2.012 1.00 0.00 C ATOM 1047 CE1 PHE A 62 86.802 -6.474 2.234 1.00 0.00 C ATOM 1048 CE2 PHE A 62 86.241 -4.118 2.172 1.00 0.00 C ATOM 1049 CZ PHE A 62 87.197 -5.133 2.283 1.00 0.00 C ATOM 0 H PHE A 62 80.453 -6.382 2.885 1.00 0.00 H new ATOM 0 HA PHE A 62 83.094 -7.793 3.174 1.00 0.00 H new ATOM 0 HB2 PHE A 62 82.901 -6.779 0.911 1.00 0.00 H new ATOM 0 HB3 PHE A 62 82.442 -5.244 1.620 1.00 0.00 H new ATOM 0 HD1 PHE A 62 85.148 -7.837 2.032 1.00 0.00 H new ATOM 0 HD2 PHE A 62 84.150 -3.660 1.927 1.00 0.00 H new ATOM 0 HE1 PHE A 62 87.540 -7.258 2.321 1.00 0.00 H new ATOM 0 HE2 PHE A 62 86.546 -3.083 2.210 1.00 0.00 H new ATOM 0 HZ PHE A 62 88.240 -4.881 2.407 1.00 0.00 H new ATOM 1059 N THR A 63 83.718 -6.155 5.044 1.00 0.00 N ATOM 1060 CA THR A 63 83.917 -5.293 6.255 1.00 0.00 C ATOM 1061 C THR A 63 85.389 -4.905 6.376 1.00 0.00 C ATOM 1062 O THR A 63 86.272 -5.678 6.073 1.00 0.00 O ATOM 1063 CB THR A 63 83.481 -6.074 7.504 1.00 0.00 C ATOM 1064 OG1 THR A 63 82.065 -6.180 7.520 1.00 0.00 O ATOM 1065 CG2 THR A 63 83.950 -5.353 8.775 1.00 0.00 C ATOM 0 H THR A 63 84.429 -6.873 4.903 1.00 0.00 H new ATOM 0 HA THR A 63 83.319 -4.387 6.162 1.00 0.00 H new ATOM 0 HB THR A 63 83.929 -7.067 7.475 1.00 0.00 H new ATOM 0 HG1 THR A 63 81.708 -5.919 6.646 1.00 0.00 H new ATOM 0 HG21 THR A 63 83.634 -5.918 9.652 1.00 0.00 H new ATOM 0 HG22 THR A 63 85.037 -5.273 8.768 1.00 0.00 H new ATOM 0 HG23 THR A 63 83.513 -4.355 8.810 1.00 0.00 H new ATOM 1073 N LEU A 64 85.651 -3.706 6.834 1.00 0.00 N ATOM 1074 CA LEU A 64 87.064 -3.244 7.002 1.00 0.00 C ATOM 1075 C LEU A 64 87.195 -2.508 8.331 1.00 0.00 C ATOM 1076 O LEU A 64 86.234 -1.983 8.858 1.00 0.00 O ATOM 1077 CB LEU A 64 87.465 -2.315 5.846 1.00 0.00 C ATOM 1078 CG LEU A 64 86.458 -1.141 5.701 1.00 0.00 C ATOM 1079 CD1 LEU A 64 86.959 0.103 6.456 1.00 0.00 C ATOM 1080 CD2 LEU A 64 86.291 -0.779 4.217 1.00 0.00 C ATOM 0 H LEU A 64 84.942 -3.023 7.101 1.00 0.00 H new ATOM 0 HA LEU A 64 87.728 -4.109 6.994 1.00 0.00 H new ATOM 0 HB2 LEU A 64 88.466 -1.921 6.022 1.00 0.00 H new ATOM 0 HB3 LEU A 64 87.505 -2.882 4.916 1.00 0.00 H new ATOM 0 HG LEU A 64 85.504 -1.459 6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 64 86.239 0.913 6.341 1.00 0.00 H new ATOM 0 HD12 LEU A 64 87.072 -0.134 7.514 1.00 0.00 H new ATOM 0 HD13 LEU A 64 87.921 0.413 6.049 1.00 0.00 H new ATOM 0 HD21 LEU A 64 85.584 0.045 4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 64 87.255 -0.480 3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 64 85.916 -1.645 3.671 1.00 0.00 H new ATOM 1092 N ASP A 65 88.381 -2.476 8.880 1.00 0.00 N ATOM 1093 CA ASP A 65 88.604 -1.784 10.190 1.00 0.00 C ATOM 1094 C ASP A 65 89.794 -0.837 10.064 1.00 0.00 C ATOM 1095 O ASP A 65 90.881 -1.233 9.693 1.00 0.00 O ATOM 1096 CB ASP A 65 88.899 -2.822 11.279 1.00 0.00 C ATOM 1097 CG ASP A 65 87.884 -3.968 11.198 1.00 0.00 C ATOM 1098 OD1 ASP A 65 87.587 -4.397 10.096 1.00 0.00 O ATOM 1099 OD2 ASP A 65 87.427 -4.402 12.243 1.00 0.00 O ATOM 0 H ASP A 65 89.214 -2.903 8.475 1.00 0.00 H new ATOM 0 HA ASP A 65 87.710 -1.221 10.458 1.00 0.00 H new ATOM 0 HB2 ASP A 65 89.910 -3.211 11.158 1.00 0.00 H new ATOM 0 HB3 ASP A 65 88.853 -2.353 12.262 1.00 0.00 H new ATOM 1104 N PHE A 66 89.597 0.412 10.375 1.00 0.00 N ATOM 1105 CA PHE A 66 90.713 1.391 10.284 1.00 0.00 C ATOM 1106 C PHE A 66 91.502 1.354 11.588 1.00 0.00 C ATOM 1107 O PHE A 66 92.442 2.098 11.784 1.00 0.00 O ATOM 1108 CB PHE A 66 90.137 2.789 10.078 1.00 0.00 C ATOM 1109 CG PHE A 66 89.423 2.841 8.746 1.00 0.00 C ATOM 1110 CD1 PHE A 66 90.152 2.709 7.558 1.00 0.00 C ATOM 1111 CD2 PHE A 66 88.033 3.017 8.697 1.00 0.00 C ATOM 1112 CE1 PHE A 66 89.494 2.752 6.322 1.00 0.00 C ATOM 1113 CE2 PHE A 66 87.375 3.060 7.461 1.00 0.00 C ATOM 1114 CZ PHE A 66 88.106 2.928 6.274 1.00 0.00 C ATOM 0 H PHE A 66 88.707 0.798 10.690 1.00 0.00 H new ATOM 0 HA PHE A 66 91.366 1.141 9.448 1.00 0.00 H new ATOM 0 HB2 PHE A 66 89.446 3.033 10.885 1.00 0.00 H new ATOM 0 HB3 PHE A 66 90.934 3.532 10.106 1.00 0.00 H new ATOM 0 HD1 PHE A 66 91.223 2.574 7.595 1.00 0.00 H new ATOM 0 HD2 PHE A 66 87.469 3.119 9.612 1.00 0.00 H new ATOM 0 HE1 PHE A 66 90.057 2.649 5.406 1.00 0.00 H new ATOM 0 HE2 PHE A 66 86.304 3.195 7.424 1.00 0.00 H new ATOM 0 HZ PHE A 66 87.599 2.962 5.321 1.00 0.00 H new ATOM 1124 N GLY A 67 91.115 0.491 12.485 1.00 0.00 N ATOM 1125 CA GLY A 67 91.823 0.394 13.791 1.00 0.00 C ATOM 1126 C GLY A 67 91.199 1.387 14.768 1.00 0.00 C ATOM 1127 O GLY A 67 91.467 1.360 15.953 1.00 0.00 O ATOM 0 H GLY A 67 90.334 -0.155 12.369 1.00 0.00 H new ATOM 0 HA2 GLY A 67 91.749 -0.619 14.185 1.00 0.00 H new ATOM 0 HA3 GLY A 67 92.884 0.609 13.661 1.00 0.00 H new ATOM 1131 N ASP A 68 90.363 2.268 14.281 1.00 0.00 N ATOM 1132 CA ASP A 68 89.718 3.265 15.183 1.00 0.00 C ATOM 1133 C ASP A 68 88.434 2.673 15.772 1.00 0.00 C ATOM 1134 O ASP A 68 87.340 3.011 15.366 1.00 0.00 O ATOM 1135 CB ASP A 68 89.390 4.533 14.388 1.00 0.00 C ATOM 1136 CG ASP A 68 90.511 4.812 13.386 1.00 0.00 C ATOM 1137 OD1 ASP A 68 90.786 3.941 12.577 1.00 0.00 O ATOM 1138 OD2 ASP A 68 91.076 5.892 13.445 1.00 0.00 O ATOM 0 H ASP A 68 90.100 2.339 13.298 1.00 0.00 H new ATOM 0 HA ASP A 68 90.400 3.515 15.996 1.00 0.00 H new ATOM 0 HB2 ASP A 68 88.442 4.411 13.864 1.00 0.00 H new ATOM 0 HB3 ASP A 68 89.274 5.379 15.065 1.00 0.00 H new ATOM 1143 N TYR A 69 88.557 1.794 16.730 1.00 0.00 N ATOM 1144 CA TYR A 69 87.345 1.187 17.350 1.00 0.00 C ATOM 1145 C TYR A 69 86.336 2.292 17.668 1.00 0.00 C ATOM 1146 O TYR A 69 85.145 2.139 17.487 1.00 0.00 O ATOM 1147 CB TYR A 69 87.743 0.473 18.642 1.00 0.00 C ATOM 1148 CG TYR A 69 86.501 -0.009 19.352 1.00 0.00 C ATOM 1149 CD1 TYR A 69 85.867 -1.180 18.927 1.00 0.00 C ATOM 1150 CD2 TYR A 69 85.986 0.717 20.432 1.00 0.00 C ATOM 1151 CE1 TYR A 69 84.715 -1.628 19.582 1.00 0.00 C ATOM 1152 CE2 TYR A 69 84.833 0.269 21.089 1.00 0.00 C ATOM 1153 CZ TYR A 69 84.198 -0.905 20.664 1.00 0.00 C ATOM 1154 OH TYR A 69 83.062 -1.348 21.310 1.00 0.00 O ATOM 0 H TYR A 69 89.446 1.470 17.110 1.00 0.00 H new ATOM 0 HA TYR A 69 86.897 0.471 16.661 1.00 0.00 H new ATOM 0 HB2 TYR A 69 88.397 -0.370 18.418 1.00 0.00 H new ATOM 0 HB3 TYR A 69 88.304 1.150 19.286 1.00 0.00 H new ATOM 0 HD1 TYR A 69 86.266 -1.739 18.093 1.00 0.00 H new ATOM 0 HD2 TYR A 69 86.477 1.622 20.758 1.00 0.00 H new ATOM 0 HE1 TYR A 69 84.224 -2.532 19.253 1.00 0.00 H new ATOM 0 HE2 TYR A 69 84.434 0.828 21.922 1.00 0.00 H new ATOM 0 HH TYR A 69 82.839 -0.732 22.038 1.00 0.00 H new ATOM 1164 N GLN A 70 86.816 3.405 18.140 1.00 0.00 N ATOM 1165 CA GLN A 70 85.906 4.535 18.475 1.00 0.00 C ATOM 1166 C GLN A 70 85.050 4.878 17.250 1.00 0.00 C ATOM 1167 O GLN A 70 83.838 4.913 17.319 1.00 0.00 O ATOM 1168 CB GLN A 70 86.744 5.761 18.892 1.00 0.00 C ATOM 1169 CG GLN A 70 88.115 5.732 18.193 1.00 0.00 C ATOM 1170 CD GLN A 70 89.106 4.891 19.006 1.00 0.00 C ATOM 1171 OE1 GLN A 70 89.722 3.983 18.484 1.00 0.00 O ATOM 1172 NE2 GLN A 70 89.284 5.157 20.271 1.00 0.00 N ATOM 0 H GLN A 70 87.806 3.583 18.310 1.00 0.00 H new ATOM 0 HA GLN A 70 85.253 4.251 19.300 1.00 0.00 H new ATOM 0 HB2 GLN A 70 86.215 6.678 18.632 1.00 0.00 H new ATOM 0 HB3 GLN A 70 86.879 5.767 19.974 1.00 0.00 H new ATOM 0 HG2 GLN A 70 88.011 5.317 17.190 1.00 0.00 H new ATOM 0 HG3 GLN A 70 88.495 6.747 18.080 1.00 0.00 H new ATOM 0 HE21 GLN A 70 88.767 5.919 20.710 1.00 0.00 H new ATOM 0 HE22 GLN A 70 89.940 4.603 20.821 1.00 0.00 H new ATOM 1181 N ASP A 71 85.672 5.135 16.132 1.00 0.00 N ATOM 1182 CA ASP A 71 84.895 5.478 14.914 1.00 0.00 C ATOM 1183 C ASP A 71 83.975 4.311 14.564 1.00 0.00 C ATOM 1184 O ASP A 71 82.881 4.491 14.067 1.00 0.00 O ATOM 1185 CB ASP A 71 85.863 5.742 13.762 1.00 0.00 C ATOM 1186 CG ASP A 71 85.154 6.529 12.656 1.00 0.00 C ATOM 1187 OD1 ASP A 71 83.937 6.608 12.699 1.00 0.00 O ATOM 1188 OD2 ASP A 71 85.841 7.039 11.786 1.00 0.00 O ATOM 0 H ASP A 71 86.685 5.122 16.012 1.00 0.00 H new ATOM 0 HA ASP A 71 84.294 6.370 15.091 1.00 0.00 H new ATOM 0 HB2 ASP A 71 86.727 6.301 14.122 1.00 0.00 H new ATOM 0 HB3 ASP A 71 86.237 4.798 13.366 1.00 0.00 H new ATOM 1193 N GLY A 72 84.416 3.111 14.828 1.00 0.00 N ATOM 1194 CA GLY A 72 83.581 1.911 14.524 1.00 0.00 C ATOM 1195 C GLY A 72 84.016 1.300 13.190 1.00 0.00 C ATOM 1196 O GLY A 72 84.726 1.912 12.417 1.00 0.00 O ATOM 0 H GLY A 72 85.325 2.908 15.244 1.00 0.00 H new ATOM 0 HA2 GLY A 72 83.682 1.175 15.322 1.00 0.00 H new ATOM 0 HA3 GLY A 72 82.528 2.191 14.480 1.00 0.00 H new ATOM 1200 N TYR A 73 83.598 0.093 12.920 1.00 0.00 N ATOM 1201 CA TYR A 73 83.986 -0.569 11.642 1.00 0.00 C ATOM 1202 C TYR A 73 83.074 -0.095 10.509 1.00 0.00 C ATOM 1203 O TYR A 73 82.134 0.646 10.720 1.00 0.00 O ATOM 1204 CB TYR A 73 83.847 -2.084 11.795 1.00 0.00 C ATOM 1205 CG TYR A 73 84.559 -2.534 13.048 1.00 0.00 C ATOM 1206 CD1 TYR A 73 85.949 -2.440 13.123 1.00 0.00 C ATOM 1207 CD2 TYR A 73 83.832 -3.050 14.128 1.00 0.00 C ATOM 1208 CE1 TYR A 73 86.620 -2.861 14.277 1.00 0.00 C ATOM 1209 CE2 TYR A 73 84.500 -3.471 15.284 1.00 0.00 C ATOM 1210 CZ TYR A 73 85.895 -3.377 15.358 1.00 0.00 C ATOM 1211 OH TYR A 73 86.556 -3.794 16.496 1.00 0.00 O ATOM 0 H TYR A 73 83.002 -0.465 13.532 1.00 0.00 H new ATOM 0 HA TYR A 73 85.018 -0.311 11.406 1.00 0.00 H new ATOM 0 HB2 TYR A 73 82.794 -2.360 11.844 1.00 0.00 H new ATOM 0 HB3 TYR A 73 84.268 -2.588 10.925 1.00 0.00 H new ATOM 0 HD1 TYR A 73 86.508 -2.042 12.289 1.00 0.00 H new ATOM 0 HD2 TYR A 73 82.756 -3.123 14.069 1.00 0.00 H new ATOM 0 HE1 TYR A 73 87.696 -2.788 14.334 1.00 0.00 H new ATOM 0 HE2 TYR A 73 83.940 -3.868 16.118 1.00 0.00 H new ATOM 0 HH TYR A 73 85.905 -4.124 17.150 1.00 0.00 H new ATOM 1221 N TYR A 74 83.347 -0.533 9.306 1.00 0.00 N ATOM 1222 CA TYR A 74 82.514 -0.142 8.131 1.00 0.00 C ATOM 1223 C TYR A 74 82.171 -1.402 7.339 1.00 0.00 C ATOM 1224 O TYR A 74 83.017 -1.993 6.697 1.00 0.00 O ATOM 1225 CB TYR A 74 83.305 0.812 7.241 1.00 0.00 C ATOM 1226 CG TYR A 74 82.486 1.170 6.023 1.00 0.00 C ATOM 1227 CD1 TYR A 74 81.448 2.103 6.127 1.00 0.00 C ATOM 1228 CD2 TYR A 74 82.766 0.570 4.788 1.00 0.00 C ATOM 1229 CE1 TYR A 74 80.690 2.435 4.998 1.00 0.00 C ATOM 1230 CE2 TYR A 74 82.008 0.902 3.660 1.00 0.00 C ATOM 1231 CZ TYR A 74 80.969 1.835 3.765 1.00 0.00 C ATOM 1232 OH TYR A 74 80.222 2.161 2.652 1.00 0.00 O ATOM 0 H TYR A 74 84.125 -1.155 9.086 1.00 0.00 H new ATOM 0 HA TYR A 74 81.603 0.352 8.468 1.00 0.00 H new ATOM 0 HB2 TYR A 74 83.562 1.714 7.796 1.00 0.00 H new ATOM 0 HB3 TYR A 74 84.243 0.347 6.937 1.00 0.00 H new ATOM 0 HD1 TYR A 74 81.232 2.567 7.078 1.00 0.00 H new ATOM 0 HD2 TYR A 74 83.568 -0.149 4.707 1.00 0.00 H new ATOM 0 HE1 TYR A 74 79.889 3.155 5.079 1.00 0.00 H new ATOM 0 HE2 TYR A 74 82.224 0.439 2.709 1.00 0.00 H new ATOM 0 HH TYR A 74 79.271 2.178 2.889 1.00 0.00 H new ATOM 1242 N SER A 75 80.938 -1.820 7.396 1.00 0.00 N ATOM 1243 CA SER A 75 80.502 -3.053 6.672 1.00 0.00 C ATOM 1244 C SER A 75 79.346 -2.737 5.724 1.00 0.00 C ATOM 1245 O SER A 75 78.525 -1.880 5.983 1.00 0.00 O ATOM 1246 CB SER A 75 80.049 -4.091 7.696 1.00 0.00 C ATOM 1247 OG SER A 75 81.058 -4.247 8.685 1.00 0.00 O ATOM 0 H SER A 75 80.199 -1.353 7.922 1.00 0.00 H new ATOM 0 HA SER A 75 81.336 -3.438 6.086 1.00 0.00 H new ATOM 0 HB2 SER A 75 79.114 -3.777 8.160 1.00 0.00 H new ATOM 0 HB3 SER A 75 79.856 -5.044 7.204 1.00 0.00 H new ATOM 0 HG SER A 75 81.437 -5.149 8.626 1.00 0.00 H new ATOM 1253 N VAL A 76 79.283 -3.438 4.624 1.00 0.00 N ATOM 1254 CA VAL A 76 78.189 -3.209 3.634 1.00 0.00 C ATOM 1255 C VAL A 76 77.911 -4.516 2.889 1.00 0.00 C ATOM 1256 O VAL A 76 78.632 -5.484 3.029 1.00 0.00 O ATOM 1257 CB VAL A 76 78.616 -2.135 2.633 1.00 0.00 C ATOM 1258 CG1 VAL A 76 78.835 -0.809 3.364 1.00 0.00 C ATOM 1259 CG2 VAL A 76 79.919 -2.564 1.954 1.00 0.00 C ATOM 0 H VAL A 76 79.949 -4.167 4.366 1.00 0.00 H new ATOM 0 HA VAL A 76 77.289 -2.878 4.153 1.00 0.00 H new ATOM 0 HB VAL A 76 77.836 -2.009 1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.139 -0.045 2.649 1.00 0.00 H new ATOM 0 HG12 VAL A 76 77.908 -0.503 3.849 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.614 -0.933 4.116 1.00 0.00 H new ATOM 0 HG21 VAL A 76 80.226 -1.800 1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 76 80.697 -2.690 2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 76 79.763 -3.508 1.431 1.00 0.00 H new ATOM 1269 N GLN A 77 76.870 -4.558 2.105 1.00 0.00 N ATOM 1270 CA GLN A 77 76.547 -5.805 1.365 1.00 0.00 C ATOM 1271 C GLN A 77 77.447 -5.928 0.134 1.00 0.00 C ATOM 1272 O GLN A 77 77.721 -4.963 -0.549 1.00 0.00 O ATOM 1273 CB GLN A 77 75.078 -5.756 0.926 1.00 0.00 C ATOM 1274 CG GLN A 77 74.174 -6.220 2.073 1.00 0.00 C ATOM 1275 CD GLN A 77 74.181 -7.749 2.152 1.00 0.00 C ATOM 1276 OE1 GLN A 77 75.129 -8.340 2.632 1.00 0.00 O ATOM 1277 NE2 GLN A 77 73.157 -8.419 1.700 1.00 0.00 N ATOM 0 H GLN A 77 76.229 -3.780 1.946 1.00 0.00 H new ATOM 0 HA GLN A 77 76.713 -6.667 2.011 1.00 0.00 H new ATOM 0 HB2 GLN A 77 74.812 -4.741 0.630 1.00 0.00 H new ATOM 0 HB3 GLN A 77 74.929 -6.392 0.054 1.00 0.00 H new ATOM 0 HG2 GLN A 77 74.520 -5.796 3.016 1.00 0.00 H new ATOM 0 HG3 GLN A 77 73.157 -5.859 1.916 1.00 0.00 H new ATOM 0 HE21 GLN A 77 72.361 -7.924 1.297 1.00 0.00 H new ATOM 0 HE22 GLN A 77 73.152 -9.438 1.749 1.00 0.00 H new ATOM 1286 N THR A 78 77.894 -7.121 -0.153 1.00 0.00 N ATOM 1287 CA THR A 78 78.765 -7.342 -1.336 1.00 0.00 C ATOM 1288 C THR A 78 78.574 -8.770 -1.836 1.00 0.00 C ATOM 1289 O THR A 78 78.987 -9.722 -1.203 1.00 0.00 O ATOM 1290 CB THR A 78 80.229 -7.142 -0.952 1.00 0.00 C ATOM 1291 OG1 THR A 78 80.565 -8.030 0.104 1.00 0.00 O ATOM 1292 CG2 THR A 78 80.449 -5.700 -0.498 1.00 0.00 C ATOM 0 H THR A 78 77.689 -7.960 0.390 1.00 0.00 H new ATOM 0 HA THR A 78 78.497 -6.630 -2.117 1.00 0.00 H new ATOM 0 HB THR A 78 80.862 -7.347 -1.816 1.00 0.00 H new ATOM 0 HG1 THR A 78 80.152 -8.904 -0.059 1.00 0.00 H new ATOM 0 HG21 THR A 78 81.495 -5.560 -0.225 1.00 0.00 H new ATOM 0 HG22 THR A 78 80.192 -5.020 -1.310 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.817 -5.490 0.365 1.00 0.00 H new ATOM 1300 N THR A 79 77.959 -8.926 -2.966 1.00 0.00 N ATOM 1301 CA THR A 79 77.747 -10.291 -3.515 1.00 0.00 C ATOM 1302 C THR A 79 79.105 -10.907 -3.838 1.00 0.00 C ATOM 1303 O THR A 79 79.236 -12.101 -4.015 1.00 0.00 O ATOM 1304 CB THR A 79 76.924 -10.194 -4.796 1.00 0.00 C ATOM 1305 OG1 THR A 79 75.695 -9.538 -4.520 1.00 0.00 O ATOM 1306 CG2 THR A 79 76.649 -11.596 -5.341 1.00 0.00 C ATOM 0 H THR A 79 77.591 -8.166 -3.538 1.00 0.00 H new ATOM 0 HA THR A 79 77.220 -10.908 -2.787 1.00 0.00 H new ATOM 0 HB THR A 79 77.480 -9.624 -5.541 1.00 0.00 H new ATOM 0 HG1 THR A 79 75.166 -9.474 -5.343 1.00 0.00 H new ATOM 0 HG21 THR A 79 76.061 -11.522 -6.256 1.00 0.00 H new ATOM 0 HG22 THR A 79 77.594 -12.094 -5.556 1.00 0.00 H new ATOM 0 HG23 THR A 79 76.096 -12.172 -4.600 1.00 0.00 H new ATOM 1314 N GLU A 80 80.117 -10.088 -3.921 1.00 0.00 N ATOM 1315 CA GLU A 80 81.483 -10.597 -4.238 1.00 0.00 C ATOM 1316 C GLU A 80 82.523 -9.775 -3.476 1.00 0.00 C ATOM 1317 O GLU A 80 83.526 -9.359 -4.020 1.00 0.00 O ATOM 1318 CB GLU A 80 81.731 -10.487 -5.748 1.00 0.00 C ATOM 1319 CG GLU A 80 81.514 -9.038 -6.215 1.00 0.00 C ATOM 1320 CD GLU A 80 81.244 -9.012 -7.722 1.00 0.00 C ATOM 1321 OE1 GLU A 80 80.482 -9.847 -8.182 1.00 0.00 O ATOM 1322 OE2 GLU A 80 81.802 -8.157 -8.390 1.00 0.00 O ATOM 0 H GLU A 80 80.056 -9.079 -3.782 1.00 0.00 H new ATOM 0 HA GLU A 80 81.564 -11.642 -3.938 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.747 -10.804 -5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 80 81.057 -11.155 -6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 80 80.675 -8.595 -5.679 1.00 0.00 H new ATOM 0 HG3 GLU A 80 82.393 -8.436 -5.984 1.00 0.00 H new ATOM 1329 N GLY A 81 82.288 -9.549 -2.213 1.00 0.00 N ATOM 1330 CA GLY A 81 83.257 -8.764 -1.395 1.00 0.00 C ATOM 1331 C GLY A 81 84.627 -9.438 -1.449 1.00 0.00 C ATOM 1332 O GLY A 81 85.609 -8.916 -0.960 1.00 0.00 O ATOM 0 H GLY A 81 81.463 -9.875 -1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 81 83.326 -7.744 -1.772 1.00 0.00 H new ATOM 0 HA3 GLY A 81 82.911 -8.700 -0.363 1.00 0.00 H new ATOM 1336 N GLU A 82 84.699 -10.595 -2.045 1.00 0.00 N ATOM 1337 CA GLU A 82 86.000 -11.308 -2.140 1.00 0.00 C ATOM 1338 C GLU A 82 86.937 -10.508 -3.043 1.00 0.00 C ATOM 1339 O GLU A 82 88.018 -10.115 -2.651 1.00 0.00 O ATOM 1340 CB GLU A 82 85.758 -12.705 -2.733 1.00 0.00 C ATOM 1341 CG GLU A 82 87.068 -13.295 -3.253 1.00 0.00 C ATOM 1342 CD GLU A 82 86.924 -14.809 -3.436 1.00 0.00 C ATOM 1343 OE1 GLU A 82 87.090 -15.523 -2.461 1.00 0.00 O ATOM 1344 OE2 GLU A 82 86.649 -15.227 -4.549 1.00 0.00 O ATOM 0 H GLU A 82 83.909 -11.078 -2.472 1.00 0.00 H new ATOM 0 HA GLU A 82 86.453 -11.410 -1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 82 85.332 -13.361 -1.974 1.00 0.00 H new ATOM 0 HB3 GLU A 82 85.032 -12.643 -3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 82 87.335 -12.829 -4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 82 87.876 -13.080 -2.554 1.00 0.00 H new ATOM 1351 N GLN A 83 86.524 -10.266 -4.249 1.00 0.00 N ATOM 1352 CA GLN A 83 87.377 -9.491 -5.189 1.00 0.00 C ATOM 1353 C GLN A 83 87.796 -8.197 -4.516 1.00 0.00 C ATOM 1354 O GLN A 83 88.942 -7.796 -4.565 1.00 0.00 O ATOM 1355 CB GLN A 83 86.589 -9.166 -6.456 1.00 0.00 C ATOM 1356 CG GLN A 83 85.996 -10.440 -7.044 1.00 0.00 C ATOM 1357 CD GLN A 83 84.982 -10.077 -8.119 1.00 0.00 C ATOM 1358 OE1 GLN A 83 83.837 -9.596 -7.750 1.00 0.00 O flip ATOM 1359 NE2 GLN A 83 85.234 -10.232 -9.298 1.00 0.00 N flip ATOM 0 H GLN A 83 85.628 -10.572 -4.629 1.00 0.00 H new ATOM 0 HA GLN A 83 88.256 -10.079 -5.454 1.00 0.00 H new ATOM 0 HB2 GLN A 83 85.793 -8.457 -6.227 1.00 0.00 H new ATOM 0 HB3 GLN A 83 87.241 -8.688 -7.187 1.00 0.00 H new ATOM 0 HG2 GLN A 83 86.786 -11.060 -7.468 1.00 0.00 H new ATOM 0 HG3 GLN A 83 85.517 -11.027 -6.260 1.00 0.00 H new ATOM 0 HE21 GLN A 83 86.138 -10.611 -9.581 1.00 0.00 H new ATOM 0 HE22 GLN A 83 84.542 -9.983 -10.005 1.00 0.00 H new ATOM 1368 N ILE A 84 86.875 -7.548 -3.875 1.00 0.00 N ATOM 1369 CA ILE A 84 87.218 -6.283 -3.178 1.00 0.00 C ATOM 1370 C ILE A 84 88.378 -6.564 -2.229 1.00 0.00 C ATOM 1371 O ILE A 84 89.230 -5.729 -2.001 1.00 0.00 O ATOM 1372 CB ILE A 84 86.009 -5.791 -2.384 1.00 0.00 C ATOM 1373 CG1 ILE A 84 84.788 -5.731 -3.308 1.00 0.00 C ATOM 1374 CG2 ILE A 84 86.296 -4.396 -1.822 1.00 0.00 C ATOM 1375 CD1 ILE A 84 83.616 -5.072 -2.576 1.00 0.00 C ATOM 0 H ILE A 84 85.899 -7.836 -3.802 1.00 0.00 H new ATOM 0 HA ILE A 84 87.499 -5.516 -3.900 1.00 0.00 H new ATOM 0 HB ILE A 84 85.811 -6.476 -1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 84 85.030 -5.167 -4.209 1.00 0.00 H new ATOM 0 HG13 ILE A 84 84.511 -6.736 -3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 84 85.432 -4.047 -1.256 1.00 0.00 H new ATOM 0 HG22 ILE A 84 87.166 -4.440 -1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 84 86.494 -3.707 -2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 84 82.750 -5.032 -3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 84 83.368 -5.654 -1.688 1.00 0.00 H new ATOM 0 HD13 ILE A 84 83.894 -4.060 -2.280 1.00 0.00 H new ATOM 1387 N ALA A 85 88.422 -7.750 -1.683 1.00 0.00 N ATOM 1388 CA ALA A 85 89.532 -8.109 -0.759 1.00 0.00 C ATOM 1389 C ALA A 85 90.728 -8.577 -1.582 1.00 0.00 C ATOM 1390 O ALA A 85 91.864 -8.405 -1.196 1.00 0.00 O ATOM 1391 CB ALA A 85 89.082 -9.233 0.174 1.00 0.00 C ATOM 0 H ALA A 85 87.734 -8.487 -1.839 1.00 0.00 H new ATOM 0 HA ALA A 85 89.810 -7.240 -0.162 1.00 0.00 H new ATOM 0 HB1 ALA A 85 89.897 -9.494 0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 85 88.221 -8.901 0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 85 88.806 -10.107 -0.416 1.00 0.00 H new ATOM 1397 N GLN A 86 90.479 -9.162 -2.721 1.00 0.00 N ATOM 1398 CA GLN A 86 91.600 -9.636 -3.572 1.00 0.00 C ATOM 1399 C GLN A 86 92.229 -8.435 -4.269 1.00 0.00 C ATOM 1400 O GLN A 86 93.427 -8.360 -4.453 1.00 0.00 O ATOM 1401 CB GLN A 86 91.059 -10.615 -4.615 1.00 0.00 C ATOM 1402 CG GLN A 86 92.202 -11.454 -5.182 1.00 0.00 C ATOM 1403 CD GLN A 86 91.760 -12.122 -6.482 1.00 0.00 C ATOM 1404 OE1 GLN A 86 90.760 -11.749 -7.063 1.00 0.00 O ATOM 1405 NE2 GLN A 86 92.469 -13.101 -6.966 1.00 0.00 N ATOM 0 H GLN A 86 89.546 -9.331 -3.097 1.00 0.00 H new ATOM 0 HA GLN A 86 92.350 -10.139 -2.962 1.00 0.00 H new ATOM 0 HB2 GLN A 86 90.309 -11.264 -4.163 1.00 0.00 H new ATOM 0 HB3 GLN A 86 90.565 -10.068 -5.418 1.00 0.00 H new ATOM 0 HG2 GLN A 86 93.072 -10.823 -5.364 1.00 0.00 H new ATOM 0 HG3 GLN A 86 92.503 -12.211 -4.458 1.00 0.00 H new ATOM 0 HE21 GLN A 86 93.308 -13.413 -6.477 1.00 0.00 H new ATOM 0 HE22 GLN A 86 92.185 -13.556 -7.834 1.00 0.00 H new ATOM 1414 N LEU A 87 91.420 -7.491 -4.645 1.00 0.00 N ATOM 1415 CA LEU A 87 91.950 -6.282 -5.318 1.00 0.00 C ATOM 1416 C LEU A 87 92.729 -5.472 -4.290 1.00 0.00 C ATOM 1417 O LEU A 87 93.771 -4.913 -4.569 1.00 0.00 O ATOM 1418 CB LEU A 87 90.777 -5.454 -5.858 1.00 0.00 C ATOM 1419 CG LEU A 87 91.274 -4.098 -6.368 1.00 0.00 C ATOM 1420 CD1 LEU A 87 92.426 -4.303 -7.366 1.00 0.00 C ATOM 1421 CD2 LEU A 87 90.118 -3.377 -7.066 1.00 0.00 C ATOM 0 H LEU A 87 90.409 -7.506 -4.514 1.00 0.00 H new ATOM 0 HA LEU A 87 92.602 -6.555 -6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 87 90.282 -5.995 -6.665 1.00 0.00 H new ATOM 0 HB3 LEU A 87 90.036 -5.305 -5.073 1.00 0.00 H new ATOM 0 HG LEU A 87 91.633 -3.503 -5.529 1.00 0.00 H new ATOM 0 HD11 LEU A 87 92.774 -3.334 -7.724 1.00 0.00 H new ATOM 0 HD12 LEU A 87 93.247 -4.823 -6.872 1.00 0.00 H new ATOM 0 HD13 LEU A 87 92.075 -4.897 -8.210 1.00 0.00 H new ATOM 0 HD21 LEU A 87 90.461 -2.410 -7.433 1.00 0.00 H new ATOM 0 HD22 LEU A 87 89.766 -3.979 -7.904 1.00 0.00 H new ATOM 0 HD23 LEU A 87 89.302 -3.228 -6.359 1.00 0.00 H new ATOM 1433 N ILE A 88 92.223 -5.414 -3.094 1.00 0.00 N ATOM 1434 CA ILE A 88 92.912 -4.652 -2.020 1.00 0.00 C ATOM 1435 C ILE A 88 94.053 -5.507 -1.456 1.00 0.00 C ATOM 1436 O ILE A 88 95.159 -5.039 -1.276 1.00 0.00 O ATOM 1437 CB ILE A 88 91.879 -4.311 -0.927 1.00 0.00 C ATOM 1438 CG1 ILE A 88 91.101 -3.041 -1.336 1.00 0.00 C ATOM 1439 CG2 ILE A 88 92.560 -4.091 0.434 1.00 0.00 C ATOM 1440 CD1 ILE A 88 91.940 -1.764 -1.109 1.00 0.00 C ATOM 0 H ILE A 88 91.353 -5.866 -2.811 1.00 0.00 H new ATOM 0 HA ILE A 88 93.337 -3.725 -2.406 1.00 0.00 H new ATOM 0 HB ILE A 88 91.192 -5.151 -0.827 1.00 0.00 H new ATOM 0 HG12 ILE A 88 90.818 -3.109 -2.386 1.00 0.00 H new ATOM 0 HG13 ILE A 88 90.178 -2.978 -0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 88 91.806 -3.852 1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 88 93.089 -4.998 0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 88 93.269 -3.267 0.357 1.00 0.00 H new ATOM 0 HD11 ILE A 88 91.361 -0.890 -1.408 1.00 0.00 H new ATOM 0 HD12 ILE A 88 92.201 -1.683 -0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 88 92.851 -1.816 -1.705 1.00 0.00 H new ATOM 1452 N ALA A 89 93.797 -6.756 -1.189 1.00 0.00 N ATOM 1453 CA ALA A 89 94.877 -7.630 -0.654 1.00 0.00 C ATOM 1454 C ALA A 89 96.041 -7.622 -1.643 1.00 0.00 C ATOM 1455 O ALA A 89 97.150 -8.003 -1.324 1.00 0.00 O ATOM 1456 CB ALA A 89 94.359 -9.060 -0.492 1.00 0.00 C ATOM 0 H ALA A 89 92.892 -7.208 -1.317 1.00 0.00 H new ATOM 0 HA ALA A 89 95.203 -7.260 0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 89 95.155 -9.693 -0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 89 93.517 -9.066 0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 89 94.035 -9.442 -1.460 1.00 0.00 H new ATOM 1462 N GLY A 90 95.784 -7.198 -2.854 1.00 0.00 N ATOM 1463 CA GLY A 90 96.858 -7.169 -3.890 1.00 0.00 C ATOM 1464 C GLY A 90 97.611 -5.836 -3.849 1.00 0.00 C ATOM 1465 O GLY A 90 98.783 -5.777 -4.158 1.00 0.00 O ATOM 0 H GLY A 90 94.872 -6.869 -3.170 1.00 0.00 H new ATOM 0 HA2 GLY A 90 97.554 -7.991 -3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 90 96.422 -7.316 -4.878 1.00 0.00 H new ATOM 1469 N TYR A 91 96.962 -4.763 -3.477 1.00 0.00 N ATOM 1470 CA TYR A 91 97.679 -3.454 -3.436 1.00 0.00 C ATOM 1471 C TYR A 91 98.534 -3.391 -2.170 1.00 0.00 C ATOM 1472 O TYR A 91 99.533 -2.704 -2.115 1.00 0.00 O ATOM 1473 CB TYR A 91 96.666 -2.294 -3.410 1.00 0.00 C ATOM 1474 CG TYR A 91 96.073 -2.046 -4.789 1.00 0.00 C ATOM 1475 CD1 TYR A 91 96.903 -1.760 -5.887 1.00 0.00 C ATOM 1476 CD2 TYR A 91 94.681 -2.081 -4.964 1.00 0.00 C ATOM 1477 CE1 TYR A 91 96.340 -1.521 -7.148 1.00 0.00 C ATOM 1478 CE2 TYR A 91 94.124 -1.839 -6.224 1.00 0.00 C ATOM 1479 CZ TYR A 91 94.952 -1.561 -7.316 1.00 0.00 C ATOM 1480 OH TYR A 91 94.400 -1.324 -8.558 1.00 0.00 O ATOM 0 H TYR A 91 95.980 -4.735 -3.203 1.00 0.00 H new ATOM 0 HA TYR A 91 98.307 -3.365 -4.323 1.00 0.00 H new ATOM 0 HB2 TYR A 91 95.867 -2.522 -2.704 1.00 0.00 H new ATOM 0 HB3 TYR A 91 97.157 -1.388 -3.055 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.975 -1.724 -5.759 1.00 0.00 H new ATOM 0 HD2 TYR A 91 94.038 -2.295 -4.123 1.00 0.00 H new ATOM 0 HE1 TYR A 91 96.979 -1.306 -7.992 1.00 0.00 H new ATOM 0 HE2 TYR A 91 93.052 -1.867 -6.354 1.00 0.00 H new ATOM 0 HH TYR A 91 93.424 -1.391 -8.500 1.00 0.00 H new ATOM 1490 N ILE A 92 98.137 -4.093 -1.151 1.00 0.00 N ATOM 1491 CA ILE A 92 98.908 -4.068 0.120 1.00 0.00 C ATOM 1492 C ILE A 92 100.251 -4.775 -0.062 1.00 0.00 C ATOM 1493 O ILE A 92 101.208 -4.497 0.632 1.00 0.00 O ATOM 1494 CB ILE A 92 98.091 -4.771 1.200 1.00 0.00 C ATOM 1495 CG1 ILE A 92 96.813 -3.964 1.443 1.00 0.00 C ATOM 1496 CG2 ILE A 92 98.911 -4.853 2.490 1.00 0.00 C ATOM 1497 CD1 ILE A 92 95.883 -4.720 2.390 1.00 0.00 C ATOM 0 H ILE A 92 97.308 -4.687 -1.142 1.00 0.00 H new ATOM 0 HA ILE A 92 99.101 -3.036 0.412 1.00 0.00 H new ATOM 0 HB ILE A 92 97.835 -5.782 0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 92 97.063 -2.992 1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 92 96.306 -3.778 0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 92 98.327 -5.355 3.261 1.00 0.00 H new ATOM 0 HG22 ILE A 92 99.826 -5.415 2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 92 99.165 -3.847 2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 92 94.978 -4.135 2.555 1.00 0.00 H new ATOM 0 HD12 ILE A 92 95.619 -5.682 1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 92 96.388 -4.883 3.342 1.00 0.00 H new ATOM 1509 N ASP A 93 100.329 -5.687 -0.987 1.00 0.00 N ATOM 1510 CA ASP A 93 101.607 -6.418 -1.217 1.00 0.00 C ATOM 1511 C ASP A 93 102.507 -5.607 -2.154 1.00 0.00 C ATOM 1512 O ASP A 93 103.705 -5.799 -2.198 1.00 0.00 O ATOM 1513 CB ASP A 93 101.299 -7.773 -1.856 1.00 0.00 C ATOM 1514 CG ASP A 93 100.733 -8.724 -0.799 1.00 0.00 C ATOM 1515 OD1 ASP A 93 101.519 -9.413 -0.169 1.00 0.00 O ATOM 1516 OD2 ASP A 93 99.524 -8.747 -0.637 1.00 0.00 O ATOM 0 H ASP A 93 99.559 -5.960 -1.598 1.00 0.00 H new ATOM 0 HA ASP A 93 102.119 -6.564 -0.266 1.00 0.00 H new ATOM 0 HB2 ASP A 93 100.583 -7.649 -2.668 1.00 0.00 H new ATOM 0 HB3 ASP A 93 102.205 -8.195 -2.291 1.00 0.00 H new ATOM 1521 N ILE A 94 101.934 -4.717 -2.918 1.00 0.00 N ATOM 1522 CA ILE A 94 102.747 -3.906 -3.874 1.00 0.00 C ATOM 1523 C ILE A 94 103.294 -2.652 -3.191 1.00 0.00 C ATOM 1524 O ILE A 94 104.329 -2.136 -3.564 1.00 0.00 O ATOM 1525 CB ILE A 94 101.867 -3.501 -5.056 1.00 0.00 C ATOM 1526 CG1 ILE A 94 101.345 -4.765 -5.742 1.00 0.00 C ATOM 1527 CG2 ILE A 94 102.691 -2.678 -6.051 1.00 0.00 C ATOM 1528 CD1 ILE A 94 100.256 -4.393 -6.749 1.00 0.00 C ATOM 0 H ILE A 94 100.934 -4.515 -2.922 1.00 0.00 H new ATOM 0 HA ILE A 94 103.589 -4.505 -4.220 1.00 0.00 H new ATOM 0 HB ILE A 94 101.029 -2.900 -4.704 1.00 0.00 H new ATOM 0 HG12 ILE A 94 102.162 -5.279 -6.249 1.00 0.00 H new ATOM 0 HG13 ILE A 94 100.946 -5.455 -4.999 1.00 0.00 H new ATOM 0 HG21 ILE A 94 102.062 -2.390 -6.893 1.00 0.00 H new ATOM 0 HG22 ILE A 94 103.069 -1.783 -5.557 1.00 0.00 H new ATOM 0 HG23 ILE A 94 103.529 -3.275 -6.411 1.00 0.00 H new ATOM 0 HD11 ILE A 94 99.887 -5.296 -7.236 1.00 0.00 H new ATOM 0 HD12 ILE A 94 99.435 -3.898 -6.231 1.00 0.00 H new ATOM 0 HD13 ILE A 94 100.669 -3.719 -7.500 1.00 0.00 H new ATOM 1540 N ILE A 95 102.616 -2.154 -2.197 1.00 0.00 N ATOM 1541 CA ILE A 95 103.112 -0.929 -1.501 1.00 0.00 C ATOM 1542 C ILE A 95 104.150 -1.332 -0.463 1.00 0.00 C ATOM 1543 O ILE A 95 105.135 -0.654 -0.249 1.00 0.00 O ATOM 1544 CB ILE A 95 101.951 -0.223 -0.805 1.00 0.00 C ATOM 1545 CG1 ILE A 95 101.245 -1.206 0.140 1.00 0.00 C ATOM 1546 CG2 ILE A 95 100.969 0.292 -1.858 1.00 0.00 C ATOM 1547 CD1 ILE A 95 99.940 -0.589 0.658 1.00 0.00 C ATOM 0 H ILE A 95 101.743 -2.538 -1.835 1.00 0.00 H new ATOM 0 HA ILE A 95 103.558 -0.253 -2.231 1.00 0.00 H new ATOM 0 HB ILE A 95 102.326 0.619 -0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 95 101.034 -2.138 -0.383 1.00 0.00 H new ATOM 0 HG13 ILE A 95 101.898 -1.452 0.977 1.00 0.00 H new ATOM 0 HG21 ILE A 95 100.138 0.797 -1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 95 101.479 0.993 -2.519 1.00 0.00 H new ATOM 0 HG23 ILE A 95 100.589 -0.546 -2.442 1.00 0.00 H new ATOM 0 HD11 ILE A 95 99.445 -1.293 1.328 1.00 0.00 H new ATOM 0 HD12 ILE A 95 100.162 0.331 1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 95 99.284 -0.366 -0.183 1.00 0.00 H new ATOM 1559 N LEU A 96 103.928 -2.435 0.183 1.00 0.00 N ATOM 1560 CA LEU A 96 104.888 -2.904 1.216 1.00 0.00 C ATOM 1561 C LEU A 96 106.156 -3.418 0.526 1.00 0.00 C ATOM 1562 O LEU A 96 107.221 -3.457 1.108 1.00 0.00 O ATOM 1563 CB LEU A 96 104.220 -4.032 2.023 1.00 0.00 C ATOM 1564 CG LEU A 96 103.527 -3.457 3.277 1.00 0.00 C ATOM 1565 CD1 LEU A 96 102.427 -4.410 3.742 1.00 0.00 C ATOM 1566 CD2 LEU A 96 104.547 -3.286 4.411 1.00 0.00 C ATOM 0 H LEU A 96 103.118 -3.038 0.040 1.00 0.00 H new ATOM 0 HA LEU A 96 105.161 -2.090 1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 96 103.490 -4.550 1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 96 104.967 -4.769 2.318 1.00 0.00 H new ATOM 0 HG LEU A 96 103.096 -2.488 3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 96 101.941 -4.000 4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 96 101.691 -4.532 2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 96 102.863 -5.379 3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 96 104.048 -2.880 5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 96 104.984 -4.254 4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 96 105.334 -2.603 4.092 1.00 0.00 H new ATOM 1681 N TRP B 2 88.808 -14.378 10.895 1.00 0.00 N ATOM 1682 CA TRP B 2 89.101 -13.027 10.334 1.00 0.00 C ATOM 1683 C TRP B 2 90.344 -13.108 9.438 1.00 0.00 C ATOM 1684 O TRP B 2 90.899 -14.165 9.211 1.00 0.00 O ATOM 1685 CB TRP B 2 89.368 -12.041 11.492 1.00 0.00 C ATOM 1686 CG TRP B 2 88.094 -11.402 11.948 1.00 0.00 C ATOM 1687 CD1 TRP B 2 87.331 -11.836 12.974 1.00 0.00 C ATOM 1688 CD2 TRP B 2 87.439 -10.215 11.421 1.00 0.00 C ATOM 1689 NE1 TRP B 2 86.245 -10.988 13.112 1.00 0.00 N ATOM 1690 CE2 TRP B 2 86.269 -9.973 12.176 1.00 0.00 C ATOM 1691 CE3 TRP B 2 87.745 -9.332 10.369 1.00 0.00 C ATOM 1692 CZ2 TRP B 2 85.432 -8.891 11.900 1.00 0.00 C ATOM 1693 CZ3 TRP B 2 86.905 -8.243 10.088 1.00 0.00 C ATOM 1694 CH2 TRP B 2 85.753 -8.023 10.852 1.00 0.00 C ATOM 0 HA TRP B 2 88.250 -12.681 9.748 1.00 0.00 H new ATOM 0 HB2 TRP B 2 89.834 -12.568 12.324 1.00 0.00 H new ATOM 0 HB3 TRP B 2 90.070 -11.273 11.167 1.00 0.00 H new ATOM 0 HD1 TRP B 2 87.534 -12.702 13.586 1.00 0.00 H new ATOM 0 HE1 TRP B 2 85.517 -11.099 13.818 1.00 0.00 H new ATOM 0 HE3 TRP B 2 88.632 -9.493 9.774 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 84.543 -8.725 12.491 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 87.149 -7.571 9.278 1.00 0.00 H new ATOM 0 HH2 TRP B 2 85.112 -7.182 10.632 1.00 0.00 H new ATOM 1705 N VAL B 3 90.788 -11.982 8.949 1.00 0.00 N ATOM 1706 CA VAL B 3 91.999 -11.942 8.085 1.00 0.00 C ATOM 1707 C VAL B 3 92.705 -10.606 8.330 1.00 0.00 C ATOM 1708 O VAL B 3 92.079 -9.565 8.371 1.00 0.00 O ATOM 1709 CB VAL B 3 91.598 -12.078 6.611 1.00 0.00 C ATOM 1710 CG1 VAL B 3 90.415 -11.162 6.319 1.00 0.00 C ATOM 1711 CG2 VAL B 3 92.783 -11.697 5.712 1.00 0.00 C ATOM 0 H VAL B 3 90.354 -11.074 9.116 1.00 0.00 H new ATOM 0 HA VAL B 3 92.669 -12.768 8.325 1.00 0.00 H new ATOM 0 HB VAL B 3 91.315 -13.111 6.408 1.00 0.00 H new ATOM 0 HG11 VAL B 3 90.130 -11.259 5.271 1.00 0.00 H new ATOM 0 HG12 VAL B 3 89.573 -11.443 6.952 1.00 0.00 H new ATOM 0 HG13 VAL B 3 90.695 -10.129 6.525 1.00 0.00 H new ATOM 0 HG21 VAL B 3 92.493 -11.795 4.666 1.00 0.00 H new ATOM 0 HG22 VAL B 3 93.075 -10.666 5.912 1.00 0.00 H new ATOM 0 HG23 VAL B 3 93.624 -12.359 5.919 1.00 0.00 H new ATOM 1745 N SER B 5 96.317 -7.921 7.632 1.00 0.00 N ATOM 1746 CA SER B 5 97.302 -7.556 6.567 1.00 0.00 C ATOM 1747 C SER B 5 98.699 -7.412 7.206 1.00 0.00 C ATOM 1748 O SER B 5 98.792 -7.099 8.376 1.00 0.00 O ATOM 1749 CB SER B 5 96.881 -6.214 5.958 1.00 0.00 C ATOM 1750 OG SER B 5 96.349 -5.383 6.982 1.00 0.00 O ATOM 0 HA SER B 5 97.331 -8.324 5.795 1.00 0.00 H new ATOM 0 HB2 SER B 5 97.737 -5.730 5.488 1.00 0.00 H new ATOM 0 HB3 SER B 5 96.136 -6.372 5.178 1.00 0.00 H new ATOM 0 HG SER B 5 95.969 -5.941 7.692 1.00 0.00 H new ATOM 1756 N PRO B 6 99.752 -7.622 6.436 1.00 0.00 N ATOM 1757 CA PRO B 6 101.121 -7.484 6.967 1.00 0.00 C ATOM 1758 C PRO B 6 101.316 -6.066 7.527 1.00 0.00 C ATOM 1759 O PRO B 6 102.160 -5.831 8.368 1.00 0.00 O ATOM 1760 CB PRO B 6 102.048 -7.747 5.756 1.00 0.00 C ATOM 1761 CG PRO B 6 101.138 -7.975 4.513 1.00 0.00 C ATOM 1762 CD PRO B 6 99.677 -8.006 5.009 1.00 0.00 C ATOM 0 HA PRO B 6 101.333 -8.175 7.783 1.00 0.00 H new ATOM 0 HB2 PRO B 6 102.715 -6.901 5.593 1.00 0.00 H new ATOM 0 HB3 PRO B 6 102.677 -8.619 5.936 1.00 0.00 H new ATOM 0 HG2 PRO B 6 101.279 -7.178 3.783 1.00 0.00 H new ATOM 0 HG3 PRO B 6 101.394 -8.911 4.016 1.00 0.00 H new ATOM 0 HD2 PRO B 6 99.053 -7.312 4.445 1.00 0.00 H new ATOM 0 HD3 PRO B 6 99.240 -8.997 4.889 1.00 0.00 H new ATOM 1770 N LEU B 7 100.539 -5.123 7.064 1.00 0.00 N ATOM 1771 CA LEU B 7 100.675 -3.728 7.564 1.00 0.00 C ATOM 1772 C LEU B 7 100.716 -3.734 9.094 1.00 0.00 C ATOM 1773 O LEU B 7 99.789 -4.173 9.747 1.00 0.00 O ATOM 1774 CB LEU B 7 99.476 -2.897 7.091 1.00 0.00 C ATOM 1775 CG LEU B 7 99.415 -2.872 5.550 1.00 0.00 C ATOM 1776 CD1 LEU B 7 97.980 -2.593 5.093 1.00 0.00 C ATOM 1777 CD2 LEU B 7 100.327 -1.765 5.006 1.00 0.00 C ATOM 0 H LEU B 7 99.815 -5.261 6.359 1.00 0.00 H new ATOM 0 HA LEU B 7 101.597 -3.293 7.177 1.00 0.00 H new ATOM 0 HB2 LEU B 7 98.553 -3.317 7.491 1.00 0.00 H new ATOM 0 HB3 LEU B 7 99.556 -1.880 7.475 1.00 0.00 H new ATOM 0 HG LEU B 7 99.745 -3.840 5.173 1.00 0.00 H new ATOM 0 HD11 LEU B 7 97.942 -2.576 4.004 1.00 0.00 H new ATOM 0 HD12 LEU B 7 97.320 -3.376 5.467 1.00 0.00 H new ATOM 0 HD13 LEU B 7 97.655 -1.628 5.482 1.00 0.00 H new ATOM 0 HD21 LEU B 7 100.277 -1.755 3.917 1.00 0.00 H new ATOM 0 HD22 LEU B 7 99.999 -0.800 5.393 1.00 0.00 H new ATOM 0 HD23 LEU B 7 101.354 -1.952 5.321 1.00 0.00 H new