USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 482 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 89 ASN : amide:sc= -6.95! C(o=-12!,f=-18!) USER MOD Set 1.2: A 108 SER OG : rot -90:sc= -5.22! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc=-0.00262 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 66 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.589) USER MOD Single : A 67 GLN : amide:sc=-0.00173 X(o=-0.0017,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 180:sc= -0.0152 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 169:sc= 1.18 (180deg=0.546!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.0847 K(o=-0.085,f=-0.64) USER MOD Single : A 106 GLN : amide:sc= -0.0507 X(o=-0.051,f=-0.22) USER MOD Single : A 107 ASN : amide:sc= -12.1! C(o=-12!,f=-21!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.161 USER MOD Single : A 115 SER OG : rot -140:sc= -1.35 USER MOD Single : A 117 MET CE :methyl -108:sc= -0.26 (180deg=-2!) USER MOD Single : A 119 LYS NZ :NH3+ -137:sc=-0.00964 (180deg=-0.128) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 9 -11.807 -12.148 6.051 1.00 0.00 N ATOM 70 CA PRO A 9 -10.822 -11.081 6.029 1.00 0.00 C ATOM 71 C PRO A 9 -9.760 -11.293 7.109 1.00 0.00 C ATOM 72 O PRO A 9 -9.961 -12.071 8.040 1.00 0.00 O ATOM 73 CB PRO A 9 -11.623 -9.804 6.224 1.00 0.00 C ATOM 74 CG PRO A 9 -12.958 -10.234 6.810 1.00 0.00 C ATOM 75 CD PRO A 9 -13.081 -11.738 6.635 1.00 0.00 C ATOM 0 HA PRO A 9 -10.261 -11.045 5.095 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.106 -9.117 6.894 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.762 -9.282 5.277 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.016 -9.967 7.865 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.778 -9.723 6.306 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.257 -12.235 7.589 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.916 -11.994 5.983 1.00 0.00 H new ATOM 80 N LYS A 10 -8.651 -10.584 6.950 1.00 0.00 N ATOM 81 CA LYS A 10 -7.557 -10.683 7.902 1.00 0.00 C ATOM 82 C LYS A 10 -7.262 -9.298 8.479 1.00 0.00 C ATOM 83 O LYS A 10 -7.346 -8.295 7.772 1.00 0.00 O ATOM 84 CB LYS A 10 -6.343 -11.350 7.252 1.00 0.00 C ATOM 85 CG LYS A 10 -5.081 -11.124 8.087 1.00 0.00 C ATOM 86 CD LYS A 10 -5.074 -12.024 9.325 1.00 0.00 C ATOM 87 CE LYS A 10 -3.651 -12.466 9.674 1.00 0.00 C ATOM 88 NZ LYS A 10 -3.674 -13.508 10.725 1.00 0.00 N ATOM 0 H LYS A 10 -8.487 -9.939 6.177 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.835 -11.324 8.739 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.525 -12.419 7.144 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.197 -10.949 6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.198 -11.327 7.481 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.025 -10.079 8.392 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.510 -11.490 10.169 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.697 -12.900 9.146 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.155 -12.851 8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.071 -11.609 10.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.700 -13.796 10.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.129 -13.129 11.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.209 -14.332 10.385 1.00 0.00 H new ATOM 98 N THR A 11 -6.921 -9.286 9.761 1.00 0.00 N ATOM 99 CA THR A 11 -6.614 -8.041 10.442 1.00 0.00 C ATOM 100 C THR A 11 -5.284 -8.156 11.189 1.00 0.00 C ATOM 101 O THR A 11 -5.008 -9.176 11.820 1.00 0.00 O ATOM 102 CB THR A 11 -7.794 -7.695 11.352 1.00 0.00 C ATOM 103 OG1 THR A 11 -8.913 -7.660 10.469 1.00 0.00 O ATOM 104 CG2 THR A 11 -7.710 -6.270 11.903 1.00 0.00 C ATOM 0 H THR A 11 -6.851 -10.120 10.345 1.00 0.00 H new ATOM 0 HA THR A 11 -6.483 -7.224 9.732 1.00 0.00 H new ATOM 0 HB THR A 11 -7.834 -8.403 12.180 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.723 -7.444 10.976 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.571 -6.076 12.542 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.794 -6.158 12.484 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.705 -5.560 11.076 1.00 0.00 H new ATOM 112 N VAL A 12 -4.495 -7.096 11.096 1.00 0.00 N ATOM 113 CA VAL A 12 -3.200 -7.067 11.755 1.00 0.00 C ATOM 114 C VAL A 12 -2.955 -5.668 12.324 1.00 0.00 C ATOM 115 O VAL A 12 -3.227 -4.669 11.661 1.00 0.00 O ATOM 116 CB VAL A 12 -2.107 -7.517 10.784 1.00 0.00 C ATOM 117 CG1 VAL A 12 -1.973 -9.042 10.779 1.00 0.00 C ATOM 118 CG2 VAL A 12 -2.373 -6.985 9.375 1.00 0.00 C ATOM 0 H VAL A 12 -4.727 -6.251 10.574 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.181 -7.767 12.590 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.161 -7.099 11.126 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.189 -9.336 10.081 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.715 -9.388 11.780 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.919 -9.489 10.473 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.581 -7.319 8.704 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.332 -7.361 9.019 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.395 -5.895 9.396 1.00 0.00 H new ATOM 128 N THR A 13 -2.444 -5.642 13.546 1.00 0.00 N ATOM 129 CA THR A 13 -2.160 -4.382 14.212 1.00 0.00 C ATOM 130 C THR A 13 -0.649 -4.150 14.289 1.00 0.00 C ATOM 131 O THR A 13 0.131 -5.101 14.273 1.00 0.00 O ATOM 132 CB THR A 13 -2.842 -4.406 15.581 1.00 0.00 C ATOM 133 OG1 THR A 13 -4.200 -4.720 15.287 1.00 0.00 O ATOM 134 CG2 THR A 13 -2.911 -3.020 16.225 1.00 0.00 C ATOM 0 H THR A 13 -2.219 -6.473 14.092 1.00 0.00 H new ATOM 0 HA THR A 13 -2.559 -3.538 13.650 1.00 0.00 H new ATOM 0 HB THR A 13 -2.305 -5.087 16.242 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.715 -4.758 16.120 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.404 -3.093 17.194 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.902 -2.631 16.360 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.476 -2.347 15.580 1.00 0.00 H new ATOM 142 N LEU A 14 -0.282 -2.880 14.374 1.00 0.00 N ATOM 143 CA LEU A 14 1.121 -2.510 14.456 1.00 0.00 C ATOM 144 C LEU A 14 1.294 -1.406 15.499 1.00 0.00 C ATOM 145 O LEU A 14 0.376 -0.620 15.735 1.00 0.00 O ATOM 146 CB LEU A 14 1.658 -2.138 13.072 1.00 0.00 C ATOM 147 CG LEU A 14 1.725 -3.277 12.051 1.00 0.00 C ATOM 148 CD1 LEU A 14 0.497 -3.265 11.135 1.00 0.00 C ATOM 149 CD2 LEU A 14 3.031 -3.224 11.257 1.00 0.00 C ATOM 0 H LEU A 14 -0.932 -2.094 14.388 1.00 0.00 H new ATOM 0 HA LEU A 14 1.719 -3.358 14.788 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.032 -1.345 12.662 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.659 -1.724 13.192 1.00 0.00 H new ATOM 0 HG LEU A 14 1.715 -4.223 12.593 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.569 -4.084 10.419 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.405 -3.386 11.735 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.452 -2.317 10.599 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.054 -4.044 10.539 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.096 -2.274 10.726 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.876 -3.316 11.940 1.00 0.00 H new ATOM 160 N LYS A 15 2.476 -1.378 16.097 1.00 0.00 N ATOM 161 CA LYS A 15 2.781 -0.383 17.110 1.00 0.00 C ATOM 162 C LYS A 15 4.147 0.238 16.813 1.00 0.00 C ATOM 163 O LYS A 15 5.170 -0.441 16.883 1.00 0.00 O ATOM 164 CB LYS A 15 2.673 -0.992 18.510 1.00 0.00 C ATOM 165 CG LYS A 15 1.304 -1.639 18.720 1.00 0.00 C ATOM 166 CD LYS A 15 0.707 -1.233 20.070 1.00 0.00 C ATOM 167 CE LYS A 15 -0.097 -2.382 20.683 1.00 0.00 C ATOM 168 NZ LYS A 15 -0.287 -2.164 22.134 1.00 0.00 N ATOM 0 H LYS A 15 3.235 -2.030 15.899 1.00 0.00 H new ATOM 0 HA LYS A 15 2.050 0.425 17.082 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.457 -1.737 18.648 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.833 -0.218 19.261 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.630 -1.342 17.916 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.399 -2.724 18.672 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.506 -0.940 20.751 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.063 -0.363 19.940 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.066 -2.459 20.191 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.421 -3.326 20.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.834 -2.952 22.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.640 -2.113 22.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.801 -1.273 22.287 1.00 0.00 H new ATOM 178 N ARG A 16 4.120 1.523 16.488 1.00 0.00 N ATOM 179 CA ARG A 16 5.344 2.243 16.180 1.00 0.00 C ATOM 180 C ARG A 16 6.469 1.802 17.119 1.00 0.00 C ATOM 181 O ARG A 16 6.415 2.056 18.321 1.00 0.00 O ATOM 182 CB ARG A 16 5.142 3.754 16.313 1.00 0.00 C ATOM 183 CG ARG A 16 6.344 4.518 15.756 1.00 0.00 C ATOM 184 CD ARG A 16 5.900 5.585 14.752 1.00 0.00 C ATOM 185 NE ARG A 16 6.979 6.578 14.557 1.00 0.00 N ATOM 186 CZ ARG A 16 6.814 7.754 13.936 1.00 0.00 C ATOM 187 NH1 ARG A 16 5.613 8.090 13.448 1.00 0.00 N ATOM 188 NH2 ARG A 16 7.850 8.592 13.805 1.00 0.00 N ATOM 0 H ARG A 16 3.270 2.084 16.431 1.00 0.00 H new ATOM 0 HA ARG A 16 5.614 2.013 15.149 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.239 4.052 15.781 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.995 4.014 17.361 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.891 4.988 16.573 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.029 3.822 15.273 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.648 5.118 13.800 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.999 6.081 15.111 1.00 0.00 H new ATOM 0 HE ARG A 16 7.906 6.354 14.918 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.824 7.451 13.549 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.487 8.985 12.975 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.764 8.335 14.178 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.725 9.487 13.332 1.00 0.00 H new ATOM 264 N GLY A 22 7.208 -1.948 10.568 1.00 0.00 N ATOM 265 CA GLY A 22 7.757 -3.289 10.453 1.00 0.00 C ATOM 266 C GLY A 22 7.360 -3.932 9.122 1.00 0.00 C ATOM 267 O GLY A 22 7.087 -5.130 9.064 1.00 0.00 O ATOM 0 HA2 GLY A 22 8.843 -3.249 10.532 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.400 -3.904 11.279 1.00 0.00 H new ATOM 271 N PHE A 23 7.341 -3.106 8.085 1.00 0.00 N ATOM 272 CA PHE A 23 6.983 -3.581 6.759 1.00 0.00 C ATOM 273 C PHE A 23 7.098 -2.457 5.726 1.00 0.00 C ATOM 274 O PHE A 23 7.508 -1.345 6.056 1.00 0.00 O ATOM 275 CB PHE A 23 5.526 -4.045 6.829 1.00 0.00 C ATOM 276 CG PHE A 23 4.516 -2.905 6.977 1.00 0.00 C ATOM 277 CD1 PHE A 23 4.231 -2.405 8.210 1.00 0.00 C ATOM 278 CD2 PHE A 23 3.903 -2.390 5.878 1.00 0.00 C ATOM 279 CE1 PHE A 23 3.294 -1.347 8.349 1.00 0.00 C ATOM 280 CE2 PHE A 23 2.965 -1.334 6.016 1.00 0.00 C ATOM 281 CZ PHE A 23 2.681 -0.833 7.248 1.00 0.00 C ATOM 0 H PHE A 23 7.567 -2.113 8.136 1.00 0.00 H new ATOM 0 HA PHE A 23 7.653 -4.386 6.458 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.292 -4.610 5.927 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.413 -4.728 7.671 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.718 -2.813 9.084 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.130 -2.785 4.899 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.068 -0.951 9.328 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.477 -0.928 5.142 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.969 -0.027 7.353 1.00 0.00 H new ATOM 290 N THR A 24 6.730 -2.788 4.497 1.00 0.00 N ATOM 291 CA THR A 24 6.788 -1.820 3.414 1.00 0.00 C ATOM 292 C THR A 24 5.853 -2.236 2.277 1.00 0.00 C ATOM 293 O THR A 24 5.439 -3.392 2.200 1.00 0.00 O ATOM 294 CB THR A 24 8.250 -1.684 2.979 1.00 0.00 C ATOM 295 OG1 THR A 24 8.220 -0.672 1.977 1.00 0.00 O ATOM 296 CG2 THR A 24 8.760 -2.925 2.242 1.00 0.00 C ATOM 0 H THR A 24 6.391 -3.711 4.227 1.00 0.00 H new ATOM 0 HA THR A 24 6.438 -0.841 3.740 1.00 0.00 H new ATOM 0 HB THR A 24 8.874 -1.500 3.854 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.127 -0.518 1.640 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.801 -2.776 1.956 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.684 -3.794 2.896 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.158 -3.090 1.348 1.00 0.00 H new ATOM 304 N LEU A 25 5.547 -1.271 1.422 1.00 0.00 N ATOM 305 CA LEU A 25 4.668 -1.523 0.293 1.00 0.00 C ATOM 306 C LEU A 25 5.452 -1.341 -1.008 1.00 0.00 C ATOM 307 O LEU A 25 6.628 -0.984 -0.985 1.00 0.00 O ATOM 308 CB LEU A 25 3.416 -0.649 0.384 1.00 0.00 C ATOM 309 CG LEU A 25 2.575 -0.811 1.653 1.00 0.00 C ATOM 310 CD1 LEU A 25 2.468 -2.283 2.055 1.00 0.00 C ATOM 311 CD2 LEU A 25 3.126 0.055 2.788 1.00 0.00 C ATOM 0 H LEU A 25 5.892 -0.313 1.489 1.00 0.00 H new ATOM 0 HA LEU A 25 4.312 -2.553 0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.719 0.395 0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.783 -0.864 -0.477 1.00 0.00 H new ATOM 0 HG LEU A 25 1.565 -0.461 1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.866 -2.370 2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.997 -2.847 1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.465 -2.682 2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.511 -0.078 3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.151 -0.242 3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.108 1.103 2.488 1.00 0.00 H new ATOM 322 N ARG A 26 4.768 -1.595 -2.114 1.00 0.00 N ATOM 323 CA ARG A 26 5.385 -1.464 -3.424 1.00 0.00 C ATOM 324 C ARG A 26 4.418 -0.794 -4.401 1.00 0.00 C ATOM 325 O ARG A 26 3.202 -0.918 -4.261 1.00 0.00 O ATOM 326 CB ARG A 26 5.794 -2.830 -3.978 1.00 0.00 C ATOM 327 CG ARG A 26 7.231 -2.798 -4.504 1.00 0.00 C ATOM 328 CD ARG A 26 7.475 -3.936 -5.499 1.00 0.00 C ATOM 329 NE ARG A 26 8.373 -3.476 -6.583 1.00 0.00 N ATOM 330 CZ ARG A 26 9.091 -4.295 -7.362 1.00 0.00 C ATOM 331 NH1 ARG A 26 9.021 -5.621 -7.184 1.00 0.00 N ATOM 332 NH2 ARG A 26 9.880 -3.788 -8.320 1.00 0.00 N ATOM 0 H ARG A 26 3.792 -1.891 -2.130 1.00 0.00 H new ATOM 0 HA ARG A 26 6.277 -0.848 -3.311 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.705 -3.585 -3.197 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.115 -3.120 -4.780 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.424 -1.840 -4.987 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.929 -2.882 -3.671 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.918 -4.790 -4.986 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.527 -4.273 -5.919 1.00 0.00 H new ATOM 0 HE ARG A 26 8.449 -2.472 -6.747 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.421 -6.007 -6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.568 -6.245 -7.777 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.933 -2.778 -8.455 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.427 -4.412 -8.913 1.00 0.00 H new ATOM 862 N ILE A 63 -1.204 -2.919 -3.232 1.00 0.00 N ATOM 863 CA ILE A 63 -0.147 -2.554 -2.306 1.00 0.00 C ATOM 864 C ILE A 63 0.926 -3.646 -2.307 1.00 0.00 C ATOM 865 O ILE A 63 2.067 -3.399 -2.694 1.00 0.00 O ATOM 866 CB ILE A 63 -0.724 -2.263 -0.920 1.00 0.00 C ATOM 867 CG1 ILE A 63 -1.257 -0.830 -0.837 1.00 0.00 C ATOM 868 CG2 ILE A 63 0.303 -2.556 0.176 1.00 0.00 C ATOM 869 CD1 ILE A 63 -2.764 -0.819 -0.576 1.00 0.00 C ATOM 0 HA ILE A 63 0.335 -1.630 -2.626 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.569 -2.932 -0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.743 -0.293 -0.040 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.042 -0.304 -1.767 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.134 -2.340 1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.592 -3.606 0.132 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.183 -1.931 0.026 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.116 0.211 -0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.277 -1.336 -1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.974 -1.324 0.367 1.00 0.00 H new ATOM 880 N PHE A 64 0.521 -4.828 -1.869 1.00 0.00 N ATOM 881 CA PHE A 64 1.433 -5.959 -1.815 1.00 0.00 C ATOM 882 C PHE A 64 2.652 -5.639 -0.948 1.00 0.00 C ATOM 883 O PHE A 64 3.421 -4.731 -1.261 1.00 0.00 O ATOM 884 CB PHE A 64 1.899 -6.227 -3.249 1.00 0.00 C ATOM 885 CG PHE A 64 0.765 -6.572 -4.216 1.00 0.00 C ATOM 886 CD1 PHE A 64 -0.188 -7.471 -3.853 1.00 0.00 C ATOM 887 CD2 PHE A 64 0.712 -5.980 -5.441 1.00 0.00 C ATOM 888 CE1 PHE A 64 -1.241 -7.791 -4.751 1.00 0.00 C ATOM 889 CE2 PHE A 64 -0.340 -6.302 -6.339 1.00 0.00 C ATOM 890 CZ PHE A 64 -1.294 -7.200 -5.975 1.00 0.00 C ATOM 0 H PHE A 64 -0.426 -5.028 -1.548 1.00 0.00 H new ATOM 0 HA PHE A 64 0.929 -6.823 -1.382 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.424 -5.347 -3.620 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.617 -7.047 -3.240 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.144 -7.942 -2.882 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.469 -5.266 -5.730 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.999 -8.503 -4.462 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.382 -5.834 -7.311 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.094 -7.444 -6.658 1.00 0.00 H new ATOM 899 N VAL A 65 2.789 -6.402 0.127 1.00 0.00 N ATOM 900 CA VAL A 65 3.902 -6.212 1.043 1.00 0.00 C ATOM 901 C VAL A 65 5.192 -6.697 0.379 1.00 0.00 C ATOM 902 O VAL A 65 5.267 -7.834 -0.080 1.00 0.00 O ATOM 903 CB VAL A 65 3.611 -6.913 2.371 1.00 0.00 C ATOM 904 CG1 VAL A 65 4.726 -6.647 3.385 1.00 0.00 C ATOM 905 CG2 VAL A 65 2.250 -6.490 2.929 1.00 0.00 C ATOM 0 H VAL A 65 2.148 -7.153 0.384 1.00 0.00 H new ATOM 0 HA VAL A 65 4.033 -5.154 1.272 1.00 0.00 H new ATOM 0 HB VAL A 65 3.576 -7.986 2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.496 -7.156 4.321 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.672 -7.020 2.992 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.806 -5.575 3.565 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.068 -7.003 3.873 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.243 -5.413 3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.467 -6.752 2.217 1.00 0.00 H new ATOM 915 N LYS A 66 6.175 -5.809 0.351 1.00 0.00 N ATOM 916 CA LYS A 66 7.458 -6.132 -0.249 1.00 0.00 C ATOM 917 C LYS A 66 8.293 -6.938 0.748 1.00 0.00 C ATOM 918 O LYS A 66 8.722 -8.051 0.447 1.00 0.00 O ATOM 919 CB LYS A 66 8.152 -4.863 -0.748 1.00 0.00 C ATOM 920 CG LYS A 66 9.410 -5.205 -1.548 1.00 0.00 C ATOM 921 CD LYS A 66 10.616 -4.411 -1.037 1.00 0.00 C ATOM 922 CE LYS A 66 11.398 -3.794 -2.197 1.00 0.00 C ATOM 923 NZ LYS A 66 10.666 -2.634 -2.757 1.00 0.00 N ATOM 0 H LYS A 66 6.109 -4.866 0.734 1.00 0.00 H new ATOM 0 HA LYS A 66 7.319 -6.758 -1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.465 -4.290 -1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.416 -4.231 0.100 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.614 -6.273 -1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.246 -4.986 -2.603 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.278 -3.624 -0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.270 -5.066 -0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.383 -3.478 -1.852 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.557 -4.541 -2.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.674 -2.687 -3.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.683 -2.647 -2.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.126 -1.753 -2.452 1.00 0.00 H new ATOM 933 N GLN A 67 8.500 -6.344 1.914 1.00 0.00 N ATOM 934 CA GLN A 67 9.276 -6.993 2.957 1.00 0.00 C ATOM 935 C GLN A 67 8.581 -6.835 4.312 1.00 0.00 C ATOM 936 O GLN A 67 7.551 -6.172 4.412 1.00 0.00 O ATOM 937 CB GLN A 67 10.701 -6.440 3.005 1.00 0.00 C ATOM 938 CG GLN A 67 11.564 -7.053 1.900 1.00 0.00 C ATOM 939 CD GLN A 67 13.054 -6.879 2.209 1.00 0.00 C ATOM 940 OE1 GLN A 67 13.753 -6.088 1.600 1.00 0.00 O ATOM 941 NE2 GLN A 67 13.497 -7.663 3.188 1.00 0.00 N ATOM 0 H GLN A 67 8.144 -5.420 2.160 1.00 0.00 H new ATOM 0 HA GLN A 67 9.342 -8.056 2.725 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.678 -5.356 2.894 1.00 0.00 H new ATOM 0 HB3 GLN A 67 11.145 -6.652 3.978 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.331 -8.113 1.797 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.329 -6.581 0.946 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.857 -8.304 3.657 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.477 -7.623 3.470 1.00 0.00 H new ATOM 948 N VAL A 68 9.174 -7.458 5.321 1.00 0.00 N ATOM 949 CA VAL A 68 8.625 -7.396 6.664 1.00 0.00 C ATOM 950 C VAL A 68 9.748 -7.613 7.680 1.00 0.00 C ATOM 951 O VAL A 68 10.319 -8.700 7.755 1.00 0.00 O ATOM 952 CB VAL A 68 7.483 -8.403 6.810 1.00 0.00 C ATOM 953 CG1 VAL A 68 7.262 -8.772 8.278 1.00 0.00 C ATOM 954 CG2 VAL A 68 6.196 -7.868 6.179 1.00 0.00 C ATOM 0 H VAL A 68 10.029 -8.008 5.234 1.00 0.00 H new ATOM 0 HA VAL A 68 8.198 -6.412 6.857 1.00 0.00 H new ATOM 0 HB VAL A 68 7.766 -9.310 6.276 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.445 -9.489 8.354 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.172 -9.215 8.683 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.012 -7.875 8.845 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.400 -8.603 6.297 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.908 -6.939 6.672 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.362 -7.680 5.118 1.00 0.00 H new ATOM 964 N LYS A 69 10.031 -6.562 8.435 1.00 0.00 N ATOM 965 CA LYS A 69 11.076 -6.625 9.443 1.00 0.00 C ATOM 966 C LYS A 69 11.021 -7.984 10.144 1.00 0.00 C ATOM 967 O LYS A 69 9.943 -8.469 10.483 1.00 0.00 O ATOM 968 CB LYS A 69 10.970 -5.435 10.400 1.00 0.00 C ATOM 969 CG LYS A 69 12.353 -5.000 10.887 1.00 0.00 C ATOM 970 CD LYS A 69 12.320 -3.566 11.420 1.00 0.00 C ATOM 971 CE LYS A 69 13.264 -3.402 12.612 1.00 0.00 C ATOM 972 NZ LYS A 69 14.443 -2.590 12.232 1.00 0.00 N ATOM 0 H LYS A 69 9.555 -5.662 8.369 1.00 0.00 H new ATOM 0 HA LYS A 69 12.059 -6.545 8.978 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.479 -4.602 9.897 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.348 -5.704 11.254 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.696 -5.675 11.671 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.070 -5.071 10.069 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.605 -2.873 10.628 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.304 -3.309 11.718 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.737 -2.924 13.438 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.588 -4.381 12.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.074 -2.488 13.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.954 -3.061 11.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.130 -1.649 11.917 1.00 0.00 H new ATOM 982 N GLU A 70 12.197 -8.561 10.341 1.00 0.00 N ATOM 983 CA GLU A 70 12.298 -9.854 10.995 1.00 0.00 C ATOM 984 C GLU A 70 12.451 -9.674 12.506 1.00 0.00 C ATOM 985 O GLU A 70 13.550 -9.422 12.997 1.00 0.00 O ATOM 986 CB GLU A 70 13.456 -10.671 10.420 1.00 0.00 C ATOM 987 CG GLU A 70 13.062 -12.140 10.256 1.00 0.00 C ATOM 988 CD GLU A 70 14.196 -13.066 10.698 1.00 0.00 C ATOM 989 OE1 GLU A 70 14.326 -13.256 11.927 1.00 0.00 O ATOM 990 OE2 GLU A 70 14.907 -13.563 9.799 1.00 0.00 O ATOM 0 H GLU A 70 13.089 -8.156 10.059 1.00 0.00 H new ATOM 0 HA GLU A 70 11.378 -10.407 10.806 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.752 -10.260 9.455 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.322 -10.594 11.078 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.168 -12.348 10.844 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.811 -12.338 9.214 1.00 0.00 H new ATOM 995 N GLY A 71 11.332 -9.809 13.203 1.00 0.00 N ATOM 996 CA GLY A 71 11.329 -9.667 14.649 1.00 0.00 C ATOM 997 C GLY A 71 10.706 -8.330 15.066 1.00 0.00 C ATOM 998 O GLY A 71 11.109 -7.738 16.064 1.00 0.00 O ATOM 0 H GLY A 71 10.421 -10.015 12.793 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.771 -10.489 15.098 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.349 -9.731 15.027 1.00 0.00 H new ATOM 1002 N GLY A 72 9.733 -7.898 14.277 1.00 0.00 N ATOM 1003 CA GLY A 72 9.051 -6.645 14.552 1.00 0.00 C ATOM 1004 C GLY A 72 7.557 -6.874 14.790 1.00 0.00 C ATOM 1005 O GLY A 72 7.143 -7.980 15.135 1.00 0.00 O ATOM 0 H GLY A 72 9.401 -8.392 13.449 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.494 -6.171 15.428 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.189 -5.961 13.715 1.00 0.00 H new ATOM 1009 N PRO A 73 6.768 -5.784 14.590 1.00 0.00 N ATOM 1010 CA PRO A 73 5.330 -5.856 14.782 1.00 0.00 C ATOM 1011 C PRO A 73 4.660 -6.594 13.621 1.00 0.00 C ATOM 1012 O PRO A 73 4.117 -7.684 13.804 1.00 0.00 O ATOM 1013 CB PRO A 73 4.878 -4.410 14.906 1.00 0.00 C ATOM 1014 CG PRO A 73 5.999 -3.570 14.320 1.00 0.00 C ATOM 1015 CD PRO A 73 7.225 -4.459 14.182 1.00 0.00 C ATOM 0 HA PRO A 73 5.051 -6.424 15.669 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.945 -4.245 14.368 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.696 -4.146 15.948 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.708 -3.168 13.350 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.215 -2.719 14.965 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.596 -4.466 13.157 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.041 -4.109 14.814 1.00 0.00 H new ATOM 1020 N ALA A 74 4.719 -5.973 12.453 1.00 0.00 N ATOM 1021 CA ALA A 74 4.125 -6.558 11.262 1.00 0.00 C ATOM 1022 C ALA A 74 4.394 -8.064 11.251 1.00 0.00 C ATOM 1023 O ALA A 74 3.486 -8.858 11.008 1.00 0.00 O ATOM 1024 CB ALA A 74 4.677 -5.857 10.019 1.00 0.00 C ATOM 0 H ALA A 74 5.169 -5.070 12.305 1.00 0.00 H new ATOM 0 HA ALA A 74 3.044 -6.416 11.262 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.232 -6.296 9.126 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.434 -4.795 10.062 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.759 -5.980 9.982 1.00 0.00 H new ATOM 1030 N PHE A 75 5.645 -8.411 11.516 1.00 0.00 N ATOM 1031 CA PHE A 75 6.044 -9.808 11.540 1.00 0.00 C ATOM 1032 C PHE A 75 5.158 -10.616 12.488 1.00 0.00 C ATOM 1033 O PHE A 75 4.550 -11.607 12.084 1.00 0.00 O ATOM 1034 CB PHE A 75 7.487 -9.852 12.047 1.00 0.00 C ATOM 1035 CG PHE A 75 7.958 -11.248 12.462 1.00 0.00 C ATOM 1036 CD1 PHE A 75 7.983 -12.256 11.549 1.00 0.00 C ATOM 1037 CD2 PHE A 75 8.353 -11.479 13.742 1.00 0.00 C ATOM 1038 CE1 PHE A 75 8.420 -13.551 11.932 1.00 0.00 C ATOM 1039 CE2 PHE A 75 8.791 -12.775 14.126 1.00 0.00 C ATOM 1040 CZ PHE A 75 8.814 -13.783 13.214 1.00 0.00 C ATOM 0 H PHE A 75 6.395 -7.749 11.716 1.00 0.00 H new ATOM 0 HA PHE A 75 5.949 -10.239 10.543 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.147 -9.474 11.267 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.583 -9.179 12.899 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.670 -12.071 10.532 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.334 -10.678 14.466 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.440 -14.351 11.207 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.106 -12.959 15.143 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.145 -14.768 13.507 1.00 0.00 H new ATOM 1049 N GLU A 76 5.110 -10.165 13.733 1.00 0.00 N ATOM 1050 CA GLU A 76 4.308 -10.833 14.742 1.00 0.00 C ATOM 1051 C GLU A 76 2.822 -10.731 14.393 1.00 0.00 C ATOM 1052 O GLU A 76 2.090 -11.717 14.476 1.00 0.00 O ATOM 1053 CB GLU A 76 4.584 -10.259 16.133 1.00 0.00 C ATOM 1054 CG GLU A 76 6.087 -10.194 16.409 1.00 0.00 C ATOM 1055 CD GLU A 76 6.502 -11.247 17.439 1.00 0.00 C ATOM 1056 OE1 GLU A 76 6.011 -12.389 17.311 1.00 0.00 O ATOM 1057 OE2 GLU A 76 7.299 -10.885 18.332 1.00 0.00 O ATOM 0 H GLU A 76 5.615 -9.343 14.066 1.00 0.00 H new ATOM 0 HA GLU A 76 4.587 -11.887 14.758 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.153 -9.261 16.211 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.098 -10.876 16.888 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.638 -10.351 15.481 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.351 -9.201 16.773 1.00 0.00 H new ATOM 1062 N ALA A 77 2.418 -9.529 14.009 1.00 0.00 N ATOM 1063 CA ALA A 77 1.033 -9.283 13.646 1.00 0.00 C ATOM 1064 C ALA A 77 0.542 -10.411 12.737 1.00 0.00 C ATOM 1065 O ALA A 77 -0.653 -10.702 12.691 1.00 0.00 O ATOM 1066 CB ALA A 77 0.912 -7.908 12.987 1.00 0.00 C ATOM 0 H ALA A 77 3.027 -8.714 13.941 1.00 0.00 H new ATOM 0 HA ALA A 77 0.400 -9.274 14.533 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.128 -7.725 12.715 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.245 -7.140 13.685 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.532 -7.878 12.091 1.00 0.00 H new ATOM 1072 N GLY A 78 1.489 -11.015 12.033 1.00 0.00 N ATOM 1073 CA GLY A 78 1.166 -12.106 11.127 1.00 0.00 C ATOM 1074 C GLY A 78 1.359 -11.682 9.669 1.00 0.00 C ATOM 1075 O GLY A 78 1.022 -12.427 8.752 1.00 0.00 O ATOM 0 H GLY A 78 2.478 -10.770 12.071 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.799 -12.966 11.347 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.135 -12.421 11.285 1.00 0.00 H new ATOM 1079 N LEU A 79 1.902 -10.484 9.502 1.00 0.00 N ATOM 1080 CA LEU A 79 2.145 -9.952 8.172 1.00 0.00 C ATOM 1081 C LEU A 79 3.251 -10.764 7.496 1.00 0.00 C ATOM 1082 O LEU A 79 3.746 -11.737 8.062 1.00 0.00 O ATOM 1083 CB LEU A 79 2.437 -8.452 8.240 1.00 0.00 C ATOM 1084 CG LEU A 79 1.759 -7.588 7.176 1.00 0.00 C ATOM 1085 CD1 LEU A 79 0.289 -7.344 7.522 1.00 0.00 C ATOM 1086 CD2 LEU A 79 2.522 -6.279 6.964 1.00 0.00 C ATOM 0 H LEU A 79 2.180 -9.868 10.266 1.00 0.00 H new ATOM 0 HA LEU A 79 1.253 -10.052 7.553 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.135 -8.087 9.222 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.515 -8.308 8.164 1.00 0.00 H new ATOM 0 HG LEU A 79 1.782 -8.131 6.231 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.169 -6.727 6.749 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.234 -8.298 7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.221 -6.832 8.482 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.018 -5.684 6.202 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.553 -5.720 7.899 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.539 -6.499 6.639 1.00 0.00 H new ATOM 1097 N CYS A 80 3.607 -10.335 6.294 1.00 0.00 N ATOM 1098 CA CYS A 80 4.646 -11.009 5.535 1.00 0.00 C ATOM 1099 C CYS A 80 4.808 -10.287 4.197 1.00 0.00 C ATOM 1100 O CYS A 80 4.322 -9.170 4.026 1.00 0.00 O ATOM 1101 CB CYS A 80 4.335 -12.496 5.347 1.00 0.00 C ATOM 1102 SG CYS A 80 5.591 -13.511 6.206 1.00 0.00 S ATOM 0 H CYS A 80 3.194 -9.528 5.827 1.00 0.00 H new ATOM 0 HA CYS A 80 5.586 -10.968 6.085 1.00 0.00 H new ATOM 0 HB2 CYS A 80 3.343 -12.721 5.739 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.321 -12.742 4.285 1.00 0.00 H new ATOM 0 HG CYS A 80 5.317 -14.771 6.042 1.00 0.00 H new ATOM 1107 N THR A 81 5.495 -10.954 3.280 1.00 0.00 N ATOM 1108 CA THR A 81 5.727 -10.389 1.961 1.00 0.00 C ATOM 1109 C THR A 81 4.799 -11.037 0.932 1.00 0.00 C ATOM 1110 O THR A 81 4.652 -12.259 0.905 1.00 0.00 O ATOM 1111 CB THR A 81 7.212 -10.557 1.631 1.00 0.00 C ATOM 1112 OG1 THR A 81 7.390 -11.968 1.537 1.00 0.00 O ATOM 1113 CG2 THR A 81 8.120 -10.143 2.791 1.00 0.00 C ATOM 0 H THR A 81 5.898 -11.880 3.425 1.00 0.00 H new ATOM 0 HA THR A 81 5.492 -9.325 1.939 1.00 0.00 H new ATOM 0 HB THR A 81 7.457 -9.965 0.749 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.326 -12.166 1.324 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.162 -10.282 2.504 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.947 -9.094 3.032 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.899 -10.758 3.664 1.00 0.00 H new ATOM 1121 N GLY A 82 4.196 -10.191 0.110 1.00 0.00 N ATOM 1122 CA GLY A 82 3.286 -10.665 -0.918 1.00 0.00 C ATOM 1123 C GLY A 82 1.837 -10.323 -0.568 1.00 0.00 C ATOM 1124 O GLY A 82 1.061 -9.927 -1.437 1.00 0.00 O ATOM 0 H GLY A 82 4.320 -9.179 0.135 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.548 -10.216 -1.876 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.391 -11.744 -1.032 1.00 0.00 H new ATOM 1128 N ASP A 83 1.515 -10.487 0.706 1.00 0.00 N ATOM 1129 CA ASP A 83 0.172 -10.201 1.182 1.00 0.00 C ATOM 1130 C ASP A 83 -0.231 -8.794 0.737 1.00 0.00 C ATOM 1131 O ASP A 83 0.508 -7.835 0.951 1.00 0.00 O ATOM 1132 CB ASP A 83 0.106 -10.251 2.710 1.00 0.00 C ATOM 1133 CG ASP A 83 0.108 -11.657 3.311 1.00 0.00 C ATOM 1134 OD1 ASP A 83 -0.637 -12.506 2.773 1.00 0.00 O ATOM 1135 OD2 ASP A 83 0.853 -11.853 4.296 1.00 0.00 O ATOM 0 H ASP A 83 2.161 -10.815 1.424 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.500 -10.953 0.768 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.954 -9.698 3.114 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.796 -9.734 3.037 1.00 0.00 H new ATOM 1139 N ARG A 84 -1.406 -8.715 0.127 1.00 0.00 N ATOM 1140 CA ARG A 84 -1.917 -7.440 -0.350 1.00 0.00 C ATOM 1141 C ARG A 84 -2.824 -6.805 0.705 1.00 0.00 C ATOM 1142 O ARG A 84 -3.528 -7.508 1.429 1.00 0.00 O ATOM 1143 CB ARG A 84 -2.702 -7.614 -1.651 1.00 0.00 C ATOM 1144 CG ARG A 84 -3.986 -8.412 -1.415 1.00 0.00 C ATOM 1145 CD ARG A 84 -4.919 -8.320 -2.624 1.00 0.00 C ATOM 1146 NE ARG A 84 -6.116 -9.161 -2.404 1.00 0.00 N ATOM 1147 CZ ARG A 84 -6.148 -10.489 -2.590 1.00 0.00 C ATOM 1148 NH1 ARG A 84 -5.048 -11.133 -3.001 1.00 0.00 N ATOM 1149 NH2 ARG A 84 -7.279 -11.170 -2.365 1.00 0.00 N ATOM 0 H ARG A 84 -2.018 -9.512 -0.048 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.063 -6.789 -0.539 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.948 -6.636 -2.065 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.082 -8.125 -2.388 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.739 -9.456 -1.220 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.495 -8.034 -0.528 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -5.217 -7.284 -2.786 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.396 -8.645 -3.523 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.971 -8.702 -2.091 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.187 -10.614 -3.172 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.071 -12.143 -3.143 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.116 -10.679 -2.052 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.303 -12.180 -2.507 1.00 0.00 H new ATOM 1160 N ILE A 85 -2.781 -5.481 0.758 1.00 0.00 N ATOM 1161 CA ILE A 85 -3.591 -4.744 1.712 1.00 0.00 C ATOM 1162 C ILE A 85 -4.996 -4.550 1.139 1.00 0.00 C ATOM 1163 O ILE A 85 -5.151 -4.161 -0.017 1.00 0.00 O ATOM 1164 CB ILE A 85 -2.901 -3.436 2.103 1.00 0.00 C ATOM 1165 CG1 ILE A 85 -1.454 -3.686 2.532 1.00 0.00 C ATOM 1166 CG2 ILE A 85 -3.698 -2.694 3.177 1.00 0.00 C ATOM 1167 CD1 ILE A 85 -1.383 -4.755 3.625 1.00 0.00 C ATOM 0 H ILE A 85 -2.198 -4.900 0.155 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.699 -5.310 2.637 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.869 -2.792 1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.865 -4.002 1.671 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.014 -2.758 2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.185 -1.768 3.436 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.693 -2.463 2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.785 -3.321 4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.343 -4.914 3.912 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.953 -4.426 4.494 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.802 -5.688 3.249 1.00 0.00 H new ATOM 1178 N ILE A 86 -5.986 -4.832 1.975 1.00 0.00 N ATOM 1179 CA ILE A 86 -7.373 -4.694 1.566 1.00 0.00 C ATOM 1180 C ILE A 86 -8.010 -3.527 2.325 1.00 0.00 C ATOM 1181 O ILE A 86 -8.846 -2.809 1.778 1.00 0.00 O ATOM 1182 CB ILE A 86 -8.117 -6.019 1.738 1.00 0.00 C ATOM 1183 CG1 ILE A 86 -8.028 -6.515 3.181 1.00 0.00 C ATOM 1184 CG2 ILE A 86 -7.613 -7.064 0.741 1.00 0.00 C ATOM 1185 CD1 ILE A 86 -8.960 -7.705 3.412 1.00 0.00 C ATOM 0 H ILE A 86 -5.854 -5.155 2.933 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.435 -4.456 0.504 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.172 -5.849 1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.002 -6.804 3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.289 -5.706 3.864 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.158 -7.997 0.885 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.772 -6.704 -0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.549 -7.237 0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -8.876 -8.037 4.447 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -9.988 -7.406 3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.681 -8.521 2.745 1.00 0.00 H new ATOM 1196 N LYS A 87 -7.591 -3.376 3.571 1.00 0.00 N ATOM 1197 CA LYS A 87 -8.111 -2.310 4.412 1.00 0.00 C ATOM 1198 C LYS A 87 -6.954 -1.650 5.165 1.00 0.00 C ATOM 1199 O LYS A 87 -5.852 -2.196 5.220 1.00 0.00 O ATOM 1200 CB LYS A 87 -9.217 -2.839 5.326 1.00 0.00 C ATOM 1201 CG LYS A 87 -10.409 -3.341 4.509 1.00 0.00 C ATOM 1202 CD LYS A 87 -10.852 -4.728 4.980 1.00 0.00 C ATOM 1203 CE LYS A 87 -11.477 -5.523 3.833 1.00 0.00 C ATOM 1204 NZ LYS A 87 -12.493 -6.468 4.351 1.00 0.00 N ATOM 0 H LYS A 87 -6.897 -3.974 4.020 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.577 -1.537 3.801 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.828 -3.649 5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.542 -2.050 6.004 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.238 -2.640 4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.140 -3.380 3.453 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.995 -5.271 5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.572 -4.627 5.792 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.937 -4.841 3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.702 -6.071 3.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.908 -7.000 3.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.044 -7.130 5.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.241 -5.938 4.842 1.00 0.00 H new ATOM 1214 N VAL A 88 -7.243 -0.485 5.726 1.00 0.00 N ATOM 1215 CA VAL A 88 -6.240 0.254 6.473 1.00 0.00 C ATOM 1216 C VAL A 88 -6.934 1.148 7.504 1.00 0.00 C ATOM 1217 O VAL A 88 -7.706 2.036 7.142 1.00 0.00 O ATOM 1218 CB VAL A 88 -5.342 1.036 5.513 1.00 0.00 C ATOM 1219 CG1 VAL A 88 -4.372 1.937 6.280 1.00 0.00 C ATOM 1220 CG2 VAL A 88 -4.589 0.092 4.574 1.00 0.00 C ATOM 0 H VAL A 88 -8.157 -0.035 5.678 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.591 -0.430 7.019 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.981 1.675 4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.745 2.482 5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.936 2.646 6.886 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.743 1.326 6.927 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.958 0.674 3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.967 -0.585 5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.304 -0.487 3.990 1.00 0.00 H new ATOM 1230 N ASN A 89 -6.636 0.883 8.767 1.00 0.00 N ATOM 1231 CA ASN A 89 -7.221 1.651 9.852 1.00 0.00 C ATOM 1232 C ASN A 89 -8.734 1.753 9.640 1.00 0.00 C ATOM 1233 O ASN A 89 -9.345 2.764 9.982 1.00 0.00 O ATOM 1234 CB ASN A 89 -6.654 3.072 9.890 1.00 0.00 C ATOM 1235 CG ASN A 89 -5.153 3.070 9.590 1.00 0.00 C ATOM 1236 OD1 ASN A 89 -4.448 2.103 9.826 1.00 0.00 O ATOM 1237 ND2 ASN A 89 -4.707 4.204 9.058 1.00 0.00 N ATOM 0 H ASN A 89 -5.996 0.146 9.063 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.987 1.144 10.788 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -7.174 3.695 9.162 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -6.832 3.513 10.871 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.720 4.303 8.821 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.352 4.975 8.886 1.00 0.00 H new ATOM 1243 N GLY A 90 -9.293 0.691 9.081 1.00 0.00 N ATOM 1244 CA GLY A 90 -10.722 0.648 8.818 1.00 0.00 C ATOM 1245 C GLY A 90 -11.122 1.696 7.779 1.00 0.00 C ATOM 1246 O GLY A 90 -12.248 2.190 7.791 1.00 0.00 O ATOM 0 H GLY A 90 -8.783 -0.147 8.802 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.000 -0.345 8.464 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.271 0.821 9.744 1.00 0.00 H new ATOM 1250 N GLU A 91 -10.176 2.002 6.902 1.00 0.00 N ATOM 1251 CA GLU A 91 -10.416 2.982 5.857 1.00 0.00 C ATOM 1252 C GLU A 91 -10.418 2.306 4.485 1.00 0.00 C ATOM 1253 O GLU A 91 -9.372 2.183 3.846 1.00 0.00 O ATOM 1254 CB GLU A 91 -9.380 4.107 5.911 1.00 0.00 C ATOM 1255 CG GLU A 91 -10.058 5.471 6.052 1.00 0.00 C ATOM 1256 CD GLU A 91 -11.269 5.581 5.122 1.00 0.00 C ATOM 1257 OE1 GLU A 91 -11.042 5.569 3.892 1.00 0.00 O ATOM 1258 OE2 GLU A 91 -12.392 5.675 5.661 1.00 0.00 O ATOM 0 H GLU A 91 -9.243 1.589 6.894 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.397 3.427 6.023 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.705 3.944 6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.773 4.091 5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.374 5.619 7.085 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.344 6.262 5.820 1.00 0.00 H new ATOM 1263 N SER A 92 -11.603 1.882 4.070 1.00 0.00 N ATOM 1264 CA SER A 92 -11.755 1.221 2.786 1.00 0.00 C ATOM 1265 C SER A 92 -10.856 1.888 1.743 1.00 0.00 C ATOM 1266 O SER A 92 -11.051 3.057 1.409 1.00 0.00 O ATOM 1267 CB SER A 92 -13.213 1.243 2.323 1.00 0.00 C ATOM 1268 OG SER A 92 -14.096 0.727 3.315 1.00 0.00 O ATOM 0 H SER A 92 -12.468 1.984 4.602 1.00 0.00 H new ATOM 0 HA SER A 92 -11.455 0.179 2.901 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.500 2.266 2.079 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.312 0.657 1.409 1.00 0.00 H new ATOM 0 HG SER A 92 -15.017 0.760 2.982 1.00 0.00 H new ATOM 1273 N VAL A 93 -9.892 1.120 1.260 1.00 0.00 N ATOM 1274 CA VAL A 93 -8.964 1.624 0.261 1.00 0.00 C ATOM 1275 C VAL A 93 -9.641 1.615 -1.111 1.00 0.00 C ATOM 1276 O VAL A 93 -9.128 1.017 -2.056 1.00 0.00 O ATOM 1277 CB VAL A 93 -7.668 0.810 0.294 1.00 0.00 C ATOM 1278 CG1 VAL A 93 -7.091 0.752 1.710 1.00 0.00 C ATOM 1279 CG2 VAL A 93 -7.892 -0.597 -0.265 1.00 0.00 C ATOM 0 H VAL A 93 -9.733 0.153 1.541 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.691 2.656 0.480 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.940 1.313 -0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.171 0.168 1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.877 1.763 2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.814 0.284 2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.956 -1.155 -0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.644 -1.111 0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -8.236 -0.528 -1.297 1.00 0.00 H new ATOM 1289 N ILE A 94 -10.783 2.285 -1.175 1.00 0.00 N ATOM 1290 CA ILE A 94 -11.535 2.362 -2.416 1.00 0.00 C ATOM 1291 C ILE A 94 -11.425 3.777 -2.988 1.00 0.00 C ATOM 1292 O ILE A 94 -11.712 4.753 -2.296 1.00 0.00 O ATOM 1293 CB ILE A 94 -12.976 1.897 -2.197 1.00 0.00 C ATOM 1294 CG1 ILE A 94 -13.013 0.496 -1.583 1.00 0.00 C ATOM 1295 CG2 ILE A 94 -13.780 1.975 -3.497 1.00 0.00 C ATOM 1296 CD1 ILE A 94 -12.720 -0.572 -2.638 1.00 0.00 C ATOM 0 H ILE A 94 -11.205 2.779 -0.389 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.115 1.685 -3.159 1.00 0.00 H new ATOM 0 HB ILE A 94 -13.449 2.573 -1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.281 0.428 -0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -13.992 0.315 -1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -14.801 1.639 -3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -13.795 3.005 -3.854 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -13.317 1.337 -4.250 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -12.752 -1.559 -2.176 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -13.468 -0.517 -3.429 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -11.730 -0.402 -3.062 1.00 0.00 H new ATOM 1307 N GLY A 95 -11.009 3.842 -4.245 1.00 0.00 N ATOM 1308 CA GLY A 95 -10.857 5.122 -4.916 1.00 0.00 C ATOM 1309 C GLY A 95 -9.574 5.827 -4.471 1.00 0.00 C ATOM 1310 O GLY A 95 -9.397 7.017 -4.722 1.00 0.00 O ATOM 0 H GLY A 95 -10.773 3.030 -4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -10.837 4.970 -5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.718 5.755 -4.699 1.00 0.00 H new ATOM 1314 N LYS A 96 -8.714 5.061 -3.816 1.00 0.00 N ATOM 1315 CA LYS A 96 -7.453 5.598 -3.333 1.00 0.00 C ATOM 1316 C LYS A 96 -6.344 5.262 -4.332 1.00 0.00 C ATOM 1317 O LYS A 96 -6.484 4.339 -5.132 1.00 0.00 O ATOM 1318 CB LYS A 96 -7.169 5.105 -1.913 1.00 0.00 C ATOM 1319 CG LYS A 96 -8.054 5.828 -0.894 1.00 0.00 C ATOM 1320 CD LYS A 96 -7.673 5.438 0.536 1.00 0.00 C ATOM 1321 CE LYS A 96 -8.634 6.065 1.548 1.00 0.00 C ATOM 1322 NZ LYS A 96 -9.908 5.311 1.590 1.00 0.00 N ATOM 0 H LYS A 96 -8.865 4.074 -3.609 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.504 6.685 -3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.345 4.031 -1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.119 5.270 -1.670 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.954 6.906 -1.020 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.100 5.582 -1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.689 4.353 0.638 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.654 5.763 0.747 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.176 6.072 2.537 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.828 7.103 1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.473 5.629 2.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.440 5.479 0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.707 4.295 1.684 1.00 0.00 H new ATOM 1332 N THR A 97 -5.269 6.033 -4.256 1.00 0.00 N ATOM 1333 CA THR A 97 -4.137 5.829 -5.144 1.00 0.00 C ATOM 1334 C THR A 97 -2.879 5.500 -4.338 1.00 0.00 C ATOM 1335 O THR A 97 -1.892 6.232 -4.394 1.00 0.00 O ATOM 1336 CB THR A 97 -3.991 7.077 -6.016 1.00 0.00 C ATOM 1337 OG1 THR A 97 -3.053 6.693 -7.018 1.00 0.00 O ATOM 1338 CG2 THR A 97 -3.300 8.228 -5.281 1.00 0.00 C ATOM 0 H THR A 97 -5.158 6.800 -3.593 1.00 0.00 H new ATOM 0 HA THR A 97 -4.297 4.973 -5.800 1.00 0.00 H new ATOM 0 HB THR A 97 -4.976 7.401 -6.353 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.901 7.444 -7.629 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.222 9.089 -5.945 1.00 0.00 H new ATOM 0 HG22 THR A 97 -3.883 8.500 -4.401 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.302 7.916 -4.973 1.00 0.00 H new ATOM 1346 N TYR A 98 -2.955 4.397 -3.606 1.00 0.00 N ATOM 1347 CA TYR A 98 -1.835 3.962 -2.789 1.00 0.00 C ATOM 1348 C TYR A 98 -1.409 5.060 -1.813 1.00 0.00 C ATOM 1349 O TYR A 98 -1.778 5.031 -0.640 1.00 0.00 O ATOM 1350 CB TYR A 98 -0.686 3.688 -3.761 1.00 0.00 C ATOM 1351 CG TYR A 98 0.683 3.571 -3.090 1.00 0.00 C ATOM 1352 CD1 TYR A 98 0.877 2.661 -2.071 1.00 0.00 C ATOM 1353 CD2 TYR A 98 1.725 4.376 -3.504 1.00 0.00 C ATOM 1354 CE1 TYR A 98 2.166 2.553 -1.439 1.00 0.00 C ATOM 1355 CE2 TYR A 98 3.015 4.267 -2.871 1.00 0.00 C ATOM 1356 CZ TYR A 98 3.172 3.360 -1.871 1.00 0.00 C ATOM 1357 OH TYR A 98 4.389 3.257 -1.273 1.00 0.00 O ATOM 0 H TYR A 98 -3.775 3.792 -3.562 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.106 3.084 -2.203 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.894 2.765 -4.302 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -0.650 4.489 -4.499 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.062 2.030 -1.748 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.574 5.087 -4.302 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.331 1.846 -0.639 1.00 0.00 H new ATOM 0 HE2 TYR A 98 3.838 4.892 -3.184 1.00 0.00 H new ATOM 0 HH TYR A 98 5.011 3.893 -1.684 1.00 0.00 H new ATOM 1366 N SER A 99 -0.638 6.005 -2.334 1.00 0.00 N ATOM 1367 CA SER A 99 -0.158 7.111 -1.523 1.00 0.00 C ATOM 1368 C SER A 99 -1.242 7.546 -0.536 1.00 0.00 C ATOM 1369 O SER A 99 -0.939 8.009 0.562 1.00 0.00 O ATOM 1370 CB SER A 99 0.269 8.291 -2.399 1.00 0.00 C ATOM 1371 OG SER A 99 1.336 9.031 -1.814 1.00 0.00 O ATOM 0 H SER A 99 -0.334 6.027 -3.308 1.00 0.00 H new ATOM 0 HA SER A 99 0.716 6.773 -0.966 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.577 7.923 -3.378 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.584 8.950 -2.560 1.00 0.00 H new ATOM 0 HG SER A 99 1.581 9.774 -2.404 1.00 0.00 H new ATOM 1376 N GLN A 100 -2.487 7.382 -0.963 1.00 0.00 N ATOM 1377 CA GLN A 100 -3.618 7.752 -0.130 1.00 0.00 C ATOM 1378 C GLN A 100 -3.634 6.914 1.148 1.00 0.00 C ATOM 1379 O GLN A 100 -3.637 7.458 2.252 1.00 0.00 O ATOM 1380 CB GLN A 100 -4.934 7.607 -0.898 1.00 0.00 C ATOM 1381 CG GLN A 100 -5.382 8.950 -1.479 1.00 0.00 C ATOM 1382 CD GLN A 100 -6.608 9.486 -0.738 1.00 0.00 C ATOM 1383 OE1 GLN A 100 -6.814 9.235 0.438 1.00 0.00 O ATOM 1384 NE2 GLN A 100 -7.409 10.236 -1.489 1.00 0.00 N ATOM 0 H GLN A 100 -2.736 6.998 -1.875 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.511 8.800 0.149 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -4.812 6.882 -1.702 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.706 7.219 -0.234 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.567 9.670 -1.410 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.615 8.833 -2.537 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.178 10.407 -2.468 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.255 10.640 -1.086 1.00 0.00 H new ATOM 1391 N VAL A 101 -3.642 5.602 0.958 1.00 0.00 N ATOM 1392 CA VAL A 101 -3.656 4.683 2.083 1.00 0.00 C ATOM 1393 C VAL A 101 -2.384 4.876 2.911 1.00 0.00 C ATOM 1394 O VAL A 101 -2.388 4.658 4.121 1.00 0.00 O ATOM 1395 CB VAL A 101 -3.833 3.248 1.583 1.00 0.00 C ATOM 1396 CG1 VAL A 101 -5.183 3.071 0.887 1.00 0.00 C ATOM 1397 CG2 VAL A 101 -2.682 2.844 0.659 1.00 0.00 C ATOM 0 H VAL A 101 -3.639 5.154 0.042 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.503 4.892 2.737 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.815 2.587 2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.282 2.042 0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.986 3.297 1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.244 3.747 0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.832 1.820 0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.654 3.513 -0.201 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.739 2.911 1.202 1.00 0.00 H new ATOM 1407 N ILE A 102 -1.326 5.284 2.224 1.00 0.00 N ATOM 1408 CA ILE A 102 -0.050 5.508 2.882 1.00 0.00 C ATOM 1409 C ILE A 102 -0.223 6.562 3.977 1.00 0.00 C ATOM 1410 O ILE A 102 0.220 6.366 5.107 1.00 0.00 O ATOM 1411 CB ILE A 102 1.028 5.861 1.854 1.00 0.00 C ATOM 1412 CG1 ILE A 102 1.457 4.623 1.063 1.00 0.00 C ATOM 1413 CG2 ILE A 102 2.215 6.555 2.521 1.00 0.00 C ATOM 1414 CD1 ILE A 102 2.153 3.607 1.971 1.00 0.00 C ATOM 0 H ILE A 102 -1.327 5.465 1.220 1.00 0.00 H new ATOM 0 HA ILE A 102 0.292 4.595 3.369 1.00 0.00 H new ATOM 0 HB ILE A 102 0.602 6.567 1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.585 4.163 0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.130 4.917 0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.966 6.795 1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.877 7.473 3.001 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.650 5.893 3.270 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.448 2.737 1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.038 4.062 2.415 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.469 3.297 2.761 1.00 0.00 H new ATOM 1425 N ALA A 103 -0.869 7.657 3.603 1.00 0.00 N ATOM 1426 CA ALA A 103 -1.106 8.742 4.539 1.00 0.00 C ATOM 1427 C ALA A 103 -1.878 8.209 5.747 1.00 0.00 C ATOM 1428 O ALA A 103 -1.709 8.699 6.863 1.00 0.00 O ATOM 1429 CB ALA A 103 -1.847 9.876 3.828 1.00 0.00 C ATOM 0 H ALA A 103 -1.235 7.816 2.664 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.162 9.147 4.904 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.025 10.691 4.530 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.244 10.239 2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.801 9.507 3.451 1.00 0.00 H new ATOM 1435 N LEU A 104 -2.709 7.210 5.484 1.00 0.00 N ATOM 1436 CA LEU A 104 -3.507 6.605 6.536 1.00 0.00 C ATOM 1437 C LEU A 104 -2.584 5.881 7.519 1.00 0.00 C ATOM 1438 O LEU A 104 -2.858 5.837 8.717 1.00 0.00 O ATOM 1439 CB LEU A 104 -4.592 5.708 5.937 1.00 0.00 C ATOM 1440 CG LEU A 104 -5.540 6.376 4.939 1.00 0.00 C ATOM 1441 CD1 LEU A 104 -6.731 5.469 4.624 1.00 0.00 C ATOM 1442 CD2 LEU A 104 -5.984 7.750 5.443 1.00 0.00 C ATOM 0 H LEU A 104 -2.846 6.805 4.558 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.036 7.372 7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.107 4.868 5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.186 5.297 6.753 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.000 6.534 4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.390 5.967 3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.372 4.534 4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.281 5.259 5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.657 8.204 4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.501 7.638 6.396 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.111 8.388 5.577 1.00 0.00 H new ATOM 1453 N ILE A 105 -1.508 5.331 6.975 1.00 0.00 N ATOM 1454 CA ILE A 105 -0.543 4.610 7.788 1.00 0.00 C ATOM 1455 C ILE A 105 0.356 5.615 8.512 1.00 0.00 C ATOM 1456 O ILE A 105 0.775 5.375 9.643 1.00 0.00 O ATOM 1457 CB ILE A 105 0.226 3.599 6.936 1.00 0.00 C ATOM 1458 CG1 ILE A 105 -0.683 2.451 6.494 1.00 0.00 C ATOM 1459 CG2 ILE A 105 1.469 3.095 7.674 1.00 0.00 C ATOM 1460 CD1 ILE A 105 -0.386 2.040 5.050 1.00 0.00 C ATOM 0 H ILE A 105 -1.283 5.370 5.981 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.051 4.024 8.554 1.00 0.00 H new ATOM 0 HB ILE A 105 0.569 4.103 6.033 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.542 1.596 7.155 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.726 2.754 6.582 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.998 2.377 7.047 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.126 3.936 7.897 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.169 2.612 8.604 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.046 1.222 4.761 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.551 2.890 4.388 1.00 0.00 H new ATOM 0 HD13 ILE A 105 0.651 1.714 4.970 1.00 0.00 H new ATOM 1471 N GLN A 106 0.626 6.719 7.830 1.00 0.00 N ATOM 1472 CA GLN A 106 1.469 7.759 8.394 1.00 0.00 C ATOM 1473 C GLN A 106 0.660 8.633 9.356 1.00 0.00 C ATOM 1474 O GLN A 106 1.216 9.221 10.282 1.00 0.00 O ATOM 1475 CB GLN A 106 2.107 8.606 7.291 1.00 0.00 C ATOM 1476 CG GLN A 106 2.948 7.740 6.352 1.00 0.00 C ATOM 1477 CD GLN A 106 4.342 8.340 6.154 1.00 0.00 C ATOM 1478 OE1 GLN A 106 5.009 8.750 7.090 1.00 0.00 O ATOM 1479 NE2 GLN A 106 4.745 8.366 4.886 1.00 0.00 N ATOM 0 H GLN A 106 0.276 6.915 6.892 1.00 0.00 H new ATOM 0 HA GLN A 106 2.274 7.283 8.954 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.329 9.115 6.722 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.733 9.379 7.737 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.036 6.734 6.761 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.447 7.650 5.388 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.137 8.006 4.150 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.662 8.745 4.650 1.00 0.00 H new ATOM 1486 N ASN A 107 -0.639 8.687 9.105 1.00 0.00 N ATOM 1487 CA ASN A 107 -1.530 9.478 9.938 1.00 0.00 C ATOM 1488 C ASN A 107 -2.215 8.564 10.955 1.00 0.00 C ATOM 1489 O ASN A 107 -3.037 9.020 11.750 1.00 0.00 O ATOM 1490 CB ASN A 107 -2.617 10.150 9.098 1.00 0.00 C ATOM 1491 CG ASN A 107 -3.656 9.130 8.629 1.00 0.00 C ATOM 1492 OD1 ASN A 107 -3.749 8.023 9.132 1.00 0.00 O ATOM 1493 ND2 ASN A 107 -4.431 9.564 7.638 1.00 0.00 N ATOM 0 H ASN A 107 -1.097 8.196 8.337 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.935 10.243 10.436 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -3.105 10.929 9.684 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.165 10.637 8.234 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -5.156 8.958 7.254 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -4.300 10.503 7.262 1.00 0.00 H new ATOM 1499 N SER A 108 -1.852 7.291 10.898 1.00 0.00 N ATOM 1500 CA SER A 108 -2.422 6.309 11.805 1.00 0.00 C ATOM 1501 C SER A 108 -1.921 6.558 13.229 1.00 0.00 C ATOM 1502 O SER A 108 -2.451 5.995 14.184 1.00 0.00 O ATOM 1503 CB SER A 108 -2.077 4.885 11.362 1.00 0.00 C ATOM 1504 OG SER A 108 -3.245 4.102 11.130 1.00 0.00 O ATOM 0 H SER A 108 -1.170 6.917 10.238 1.00 0.00 H new ATOM 0 HA SER A 108 -3.507 6.414 11.785 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.479 4.923 10.452 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.465 4.406 12.126 1.00 0.00 H new ATOM 0 HG SER A 108 -3.505 3.648 11.959 1.00 0.00 H new ATOM 1509 N ASP A 109 -0.904 7.401 13.325 1.00 0.00 N ATOM 1510 CA ASP A 109 -0.326 7.733 14.616 1.00 0.00 C ATOM 1511 C ASP A 109 0.644 6.625 15.034 1.00 0.00 C ATOM 1512 O ASP A 109 1.221 5.946 14.185 1.00 0.00 O ATOM 1513 CB ASP A 109 -1.407 7.845 15.692 1.00 0.00 C ATOM 1514 CG ASP A 109 -1.114 8.858 16.800 1.00 0.00 C ATOM 1515 OD1 ASP A 109 -1.127 10.067 16.482 1.00 0.00 O ATOM 1516 OD2 ASP A 109 -0.880 8.401 17.940 1.00 0.00 O ATOM 0 H ASP A 109 -0.465 7.864 12.529 1.00 0.00 H new ATOM 0 HA ASP A 109 0.187 8.690 14.520 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.348 8.115 15.213 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -1.550 6.864 16.146 1.00 0.00 H new ATOM 1520 N THR A 110 0.793 6.475 16.342 1.00 0.00 N ATOM 1521 CA THR A 110 1.682 5.462 16.883 1.00 0.00 C ATOM 1522 C THR A 110 1.317 4.082 16.331 1.00 0.00 C ATOM 1523 O THR A 110 2.127 3.444 15.660 1.00 0.00 O ATOM 1524 CB THR A 110 1.617 5.540 18.410 1.00 0.00 C ATOM 1525 OG1 THR A 110 2.243 6.783 18.719 1.00 0.00 O ATOM 1526 CG2 THR A 110 2.505 4.497 19.089 1.00 0.00 C ATOM 0 H THR A 110 0.312 7.039 17.043 1.00 0.00 H new ATOM 0 HA THR A 110 2.713 5.639 16.577 1.00 0.00 H new ATOM 0 HB THR A 110 0.586 5.405 18.737 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.243 6.917 19.690 1.00 0.00 H new ATOM 0 HG21 THR A 110 2.421 4.597 20.171 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.186 3.498 18.791 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.542 4.651 18.790 1.00 0.00 H new ATOM 1534 N THR A 111 0.097 3.663 16.632 1.00 0.00 N ATOM 1535 CA THR A 111 -0.385 2.372 16.174 1.00 0.00 C ATOM 1536 C THR A 111 -0.798 2.448 14.703 1.00 0.00 C ATOM 1537 O THR A 111 -0.955 3.537 14.154 1.00 0.00 O ATOM 1538 CB THR A 111 -1.519 1.934 17.102 1.00 0.00 C ATOM 1539 OG1 THR A 111 -2.067 3.158 17.583 1.00 0.00 O ATOM 1540 CG2 THR A 111 -1.007 1.233 18.364 1.00 0.00 C ATOM 0 H THR A 111 -0.572 4.195 17.188 1.00 0.00 H new ATOM 0 HA THR A 111 0.401 1.618 16.220 1.00 0.00 H new ATOM 0 HB THR A 111 -2.191 1.266 16.563 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.811 2.967 18.192 1.00 0.00 H new ATOM 0 HG21 THR A 111 -1.853 0.943 18.988 1.00 0.00 H new ATOM 0 HG22 THR A 111 -0.442 0.344 18.083 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.362 1.912 18.921 1.00 0.00 H new ATOM 1548 N LEU A 112 -0.964 1.277 14.107 1.00 0.00 N ATOM 1549 CA LEU A 112 -1.357 1.196 12.710 1.00 0.00 C ATOM 1550 C LEU A 112 -1.936 -0.191 12.425 1.00 0.00 C ATOM 1551 O LEU A 112 -1.225 -1.192 12.500 1.00 0.00 O ATOM 1552 CB LEU A 112 -0.184 1.571 11.801 1.00 0.00 C ATOM 1553 CG LEU A 112 -0.411 1.382 10.300 1.00 0.00 C ATOM 1554 CD1 LEU A 112 -0.077 -0.049 9.872 1.00 0.00 C ATOM 1555 CD2 LEU A 112 -1.836 1.780 9.907 1.00 0.00 C ATOM 0 H LEU A 112 -0.834 0.375 14.566 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.143 1.920 12.494 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.070 2.616 11.981 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.682 0.977 12.095 1.00 0.00 H new ATOM 0 HG LEU A 112 0.268 2.046 9.765 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.247 -0.157 8.801 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.968 -0.262 10.097 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.714 -0.749 10.413 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.971 1.636 8.835 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.550 1.160 10.449 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.003 2.828 10.157 1.00 0.00 H new ATOM 1566 N GLU A 113 -3.221 -0.207 12.105 1.00 0.00 N ATOM 1567 CA GLU A 113 -3.904 -1.454 11.809 1.00 0.00 C ATOM 1568 C GLU A 113 -3.945 -1.692 10.299 1.00 0.00 C ATOM 1569 O GLU A 113 -4.188 -0.765 9.527 1.00 0.00 O ATOM 1570 CB GLU A 113 -5.314 -1.462 12.404 1.00 0.00 C ATOM 1571 CG GLU A 113 -6.053 -2.751 12.043 1.00 0.00 C ATOM 1572 CD GLU A 113 -7.568 -2.566 12.161 1.00 0.00 C ATOM 1573 OE1 GLU A 113 -7.980 -1.835 13.088 1.00 0.00 O ATOM 1574 OE2 GLU A 113 -8.280 -3.159 11.320 1.00 0.00 O ATOM 0 H GLU A 113 -3.808 0.625 12.044 1.00 0.00 H new ATOM 0 HA GLU A 113 -3.346 -2.269 12.270 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.256 -1.363 13.488 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.873 -0.602 12.035 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -5.797 -3.048 11.026 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.729 -3.557 12.702 1.00 0.00 H new ATOM 1579 N LEU A 114 -3.701 -2.938 9.920 1.00 0.00 N ATOM 1580 CA LEU A 114 -3.707 -3.310 8.517 1.00 0.00 C ATOM 1581 C LEU A 114 -4.674 -4.477 8.306 1.00 0.00 C ATOM 1582 O LEU A 114 -5.226 -5.010 9.265 1.00 0.00 O ATOM 1583 CB LEU A 114 -2.284 -3.594 8.031 1.00 0.00 C ATOM 1584 CG LEU A 114 -1.337 -2.392 7.989 1.00 0.00 C ATOM 1585 CD1 LEU A 114 0.124 -2.846 8.015 1.00 0.00 C ATOM 1586 CD2 LEU A 114 -1.640 -1.498 6.786 1.00 0.00 C ATOM 0 H LEU A 114 -3.498 -3.704 10.562 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.068 -2.483 7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.846 -4.354 8.677 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.342 -4.021 7.030 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.503 -1.792 8.884 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.777 -1.974 7.984 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.314 -3.409 8.929 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.324 -3.479 7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.953 -0.652 6.780 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.518 -2.071 5.867 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.665 -1.133 6.853 1.00 0.00 H new ATOM 1597 N SER A 115 -4.847 -4.839 7.043 1.00 0.00 N ATOM 1598 CA SER A 115 -5.737 -5.933 6.694 1.00 0.00 C ATOM 1599 C SER A 115 -5.355 -6.503 5.326 1.00 0.00 C ATOM 1600 O SER A 115 -5.306 -5.773 4.337 1.00 0.00 O ATOM 1601 CB SER A 115 -7.197 -5.474 6.688 1.00 0.00 C ATOM 1602 OG SER A 115 -7.392 -4.301 7.472 1.00 0.00 O ATOM 0 H SER A 115 -4.386 -4.394 6.249 1.00 0.00 H new ATOM 0 HA SER A 115 -5.632 -6.713 7.448 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.512 -5.281 5.662 1.00 0.00 H new ATOM 0 HB3 SER A 115 -7.830 -6.275 7.070 1.00 0.00 H new ATOM 0 HG SER A 115 -8.235 -4.375 7.967 1.00 0.00 H new ATOM 1607 N VAL A 116 -5.093 -7.802 5.315 1.00 0.00 N ATOM 1608 CA VAL A 116 -4.716 -8.478 4.086 1.00 0.00 C ATOM 1609 C VAL A 116 -5.762 -9.543 3.753 1.00 0.00 C ATOM 1610 O VAL A 116 -6.747 -9.699 4.474 1.00 0.00 O ATOM 1611 CB VAL A 116 -3.302 -9.049 4.214 1.00 0.00 C ATOM 1612 CG1 VAL A 116 -2.282 -7.937 4.461 1.00 0.00 C ATOM 1613 CG2 VAL A 116 -3.237 -10.108 5.317 1.00 0.00 C ATOM 0 H VAL A 116 -5.134 -8.404 6.138 1.00 0.00 H new ATOM 0 HA VAL A 116 -4.693 -7.773 3.255 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.049 -9.532 3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.286 -8.370 4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.301 -7.234 3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -2.532 -7.413 5.383 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.222 -10.498 5.388 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -3.520 -9.660 6.269 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -3.923 -10.922 5.081 1.00 0.00 H new ATOM 1623 N MET A 117 -5.514 -10.250 2.659 1.00 0.00 N ATOM 1624 CA MET A 117 -6.423 -11.297 2.224 1.00 0.00 C ATOM 1625 C MET A 117 -5.681 -12.619 2.024 1.00 0.00 C ATOM 1626 O MET A 117 -5.067 -12.840 0.982 1.00 0.00 O ATOM 1627 CB MET A 117 -7.087 -10.880 0.909 1.00 0.00 C ATOM 1628 CG MET A 117 -8.544 -10.473 1.135 1.00 0.00 C ATOM 1629 SD MET A 117 -9.625 -11.849 0.782 1.00 0.00 S ATOM 1630 CE MET A 117 -9.830 -12.513 2.426 1.00 0.00 C ATOM 0 H MET A 117 -4.698 -10.118 2.062 1.00 0.00 H new ATOM 0 HA MET A 117 -7.180 -11.440 2.995 1.00 0.00 H new ATOM 0 HB2 MET A 117 -6.538 -10.048 0.468 1.00 0.00 H new ATOM 0 HB3 MET A 117 -7.042 -11.705 0.197 1.00 0.00 H new ATOM 0 HG2 MET A 117 -8.683 -10.146 2.165 1.00 0.00 H new ATOM 0 HG3 MET A 117 -8.797 -9.628 0.495 1.00 0.00 H new ATOM 0 HE1 MET A 117 -9.283 -13.452 2.510 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.444 -11.802 3.156 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.888 -12.691 2.617 1.00 0.00 H new ATOM 1638 N PRO A 118 -5.765 -13.488 3.068 1.00 0.00 N ATOM 1639 CA PRO A 118 -5.109 -14.783 3.017 1.00 0.00 C ATOM 1640 C PRO A 118 -5.871 -15.749 2.108 1.00 0.00 C ATOM 1641 O PRO A 118 -7.003 -15.473 1.712 1.00 0.00 O ATOM 1642 CB PRO A 118 -5.050 -15.251 4.463 1.00 0.00 C ATOM 1643 CG PRO A 118 -6.083 -14.423 5.212 1.00 0.00 C ATOM 1644 CD PRO A 118 -6.484 -13.260 4.318 1.00 0.00 C ATOM 0 HA PRO A 118 -4.109 -14.731 2.587 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -5.273 -16.315 4.538 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -4.054 -15.104 4.881 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -6.953 -15.031 5.461 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -5.671 -14.057 6.152 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -7.562 -13.238 4.157 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -6.209 -12.304 4.764 1.00 0.00 H new ATOM 1649 N LYS A 119 -5.220 -16.861 1.801 1.00 0.00 N ATOM 1650 CA LYS A 119 -5.821 -17.870 0.945 1.00 0.00 C ATOM 1651 C LYS A 119 -5.503 -19.259 1.501 1.00 0.00 C ATOM 1652 O LYS A 119 -6.401 -20.082 1.678 1.00 0.00 O ATOM 1653 CB LYS A 119 -5.381 -17.671 -0.507 1.00 0.00 C ATOM 1654 CG LYS A 119 -5.398 -18.998 -1.270 1.00 0.00 C ATOM 1655 CD LYS A 119 -6.828 -19.513 -1.442 1.00 0.00 C ATOM 1656 CE LYS A 119 -7.361 -19.194 -2.840 1.00 0.00 C ATOM 1657 NZ LYS A 119 -7.993 -17.855 -2.860 1.00 0.00 N ATOM 0 H LYS A 119 -4.281 -17.086 2.130 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.906 -17.770 0.941 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.043 -16.957 -0.997 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.378 -17.245 -0.532 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.935 -18.865 -2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.803 -19.738 -0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.853 -20.590 -1.276 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.474 -19.060 -0.690 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -6.546 -19.229 -3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -8.087 -19.950 -3.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -8.881 -17.898 -3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -8.194 -17.551 -1.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -7.348 -17.174 -3.309 1.00 0.00 H new