USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 684 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 Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -140:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0336 X(o=-0.034,f=-0.25) USER MOD Single : A 27 SER OG : rot 112:sc= -1.84! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -1.45 K(o=-1.4,f=-2.4!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.323 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= -0.0467 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.0983 X(o=-0.098,f=-0.36) USER MOD Single : A 85 ASN :FLIP amide:sc= -0.0269 F(o=-0.9,f=-0.027) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -173:sc= -0.957 (180deg=-0.968) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 34:sc= 0.273 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 117 N PRO A 12 6.864 15.636 4.177 1.00 0.00 N ATOM 118 CA PRO A 12 5.999 14.739 3.404 1.00 0.00 C ATOM 119 C PRO A 12 5.503 13.558 4.231 1.00 0.00 C ATOM 120 O PRO A 12 6.263 12.639 4.535 1.00 0.00 O ATOM 121 CB PRO A 12 6.910 14.256 2.273 1.00 0.00 C ATOM 122 CG PRO A 12 8.290 14.381 2.819 1.00 0.00 C ATOM 123 CD PRO A 12 8.267 15.573 3.735 1.00 0.00 C ATOM 0 HA PRO A 12 5.096 15.241 3.057 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.685 13.226 1.996 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.783 14.862 1.376 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.579 13.479 3.359 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.016 14.519 2.017 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.948 15.446 4.576 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.566 16.484 3.217 1.00 0.00 H new ATOM 131 N ARG A 13 4.224 13.589 4.591 1.00 0.00 N ATOM 132 CA ARG A 13 3.627 12.520 5.383 1.00 0.00 C ATOM 133 C ARG A 13 2.812 11.580 4.501 1.00 0.00 C ATOM 134 O ARG A 13 2.305 11.979 3.452 1.00 0.00 O ATOM 135 CB ARG A 13 2.737 13.107 6.481 1.00 0.00 C ATOM 136 CG ARG A 13 2.396 12.116 7.582 1.00 0.00 C ATOM 137 CD ARG A 13 3.442 12.129 8.686 1.00 0.00 C ATOM 138 NE ARG A 13 3.507 10.853 9.393 1.00 0.00 N ATOM 139 CZ ARG A 13 3.951 10.724 10.639 1.00 0.00 C ATOM 140 NH1 ARG A 13 4.367 11.789 11.311 1.00 0.00 N ATOM 141 NH2 ARG A 13 3.980 9.529 11.214 1.00 0.00 N ATOM 0 H ARG A 13 3.581 14.343 4.347 1.00 0.00 H new ATOM 0 HA ARG A 13 4.433 11.949 5.844 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.238 13.969 6.922 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.813 13.471 6.032 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.420 12.358 8.001 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.322 11.113 7.161 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.418 12.356 8.258 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.212 12.925 9.394 1.00 0.00 H new ATOM 0 HE ARG A 13 3.194 10.014 8.904 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.347 12.709 10.872 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.707 11.688 12.267 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.661 8.708 10.700 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.321 9.431 12.170 1.00 0.00 H new ATOM 155 N PHE A 14 2.689 10.329 4.933 1.00 0.00 N ATOM 156 CA PHE A 14 1.937 9.331 4.182 1.00 0.00 C ATOM 157 C PHE A 14 0.498 9.244 4.682 1.00 0.00 C ATOM 158 O PHE A 14 0.156 9.813 5.718 1.00 0.00 O ATOM 159 CB PHE A 14 2.612 7.962 4.295 1.00 0.00 C ATOM 160 CG PHE A 14 3.719 7.756 3.301 1.00 0.00 C ATOM 161 CD1 PHE A 14 3.444 7.662 1.946 1.00 0.00 C ATOM 162 CD2 PHE A 14 5.035 7.656 3.722 1.00 0.00 C ATOM 163 CE1 PHE A 14 4.461 7.472 1.030 1.00 0.00 C ATOM 164 CE2 PHE A 14 6.057 7.466 2.811 1.00 0.00 C ATOM 165 CZ PHE A 14 5.769 7.375 1.463 1.00 0.00 C ATOM 0 H PHE A 14 3.101 9.983 5.800 1.00 0.00 H new ATOM 0 HA PHE A 14 1.921 9.636 3.136 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.012 7.845 5.302 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.862 7.183 4.158 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.423 7.738 1.602 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.265 7.727 4.775 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.233 7.399 -0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.079 7.389 3.152 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.566 7.228 0.749 1.00 0.00 H new ATOM 175 N GLU A 15 -0.339 8.528 3.938 1.00 0.00 N ATOM 176 CA GLU A 15 -1.741 8.369 4.305 1.00 0.00 C ATOM 177 C GLU A 15 -1.889 7.404 5.478 1.00 0.00 C ATOM 178 O GLU A 15 -2.686 7.633 6.388 1.00 0.00 O ATOM 179 CB GLU A 15 -2.550 7.863 3.109 1.00 0.00 C ATOM 180 CG GLU A 15 -2.659 8.872 1.978 1.00 0.00 C ATOM 181 CD GLU A 15 -3.829 9.821 2.153 1.00 0.00 C ATOM 182 OE1 GLU A 15 -4.770 9.472 2.895 1.00 0.00 O ATOM 183 OE2 GLU A 15 -3.802 10.913 1.547 1.00 0.00 O ATOM 0 H GLU A 15 -0.071 8.049 3.078 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.124 9.344 4.607 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.089 6.952 2.728 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.552 7.597 3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.735 9.447 1.919 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.765 8.341 1.032 1.00 0.00 H new ATOM 190 N LYS A 16 -1.117 6.323 5.449 1.00 0.00 N ATOM 191 CA LYS A 16 -1.160 5.322 6.508 1.00 0.00 C ATOM 192 C LYS A 16 0.238 5.041 7.048 1.00 0.00 C ATOM 193 O LYS A 16 1.200 4.945 6.287 1.00 0.00 O ATOM 194 CB LYS A 16 -1.788 4.027 5.989 1.00 0.00 C ATOM 195 CG LYS A 16 -3.163 4.221 5.375 1.00 0.00 C ATOM 196 CD LYS A 16 -3.558 3.038 4.506 1.00 0.00 C ATOM 197 CE LYS A 16 -2.996 3.169 3.099 1.00 0.00 C ATOM 198 NZ LYS A 16 -3.865 4.009 2.229 1.00 0.00 N ATOM 0 H LYS A 16 -0.453 6.118 4.702 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.772 5.715 7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.126 3.585 5.244 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.864 3.315 6.811 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.900 4.354 6.167 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.170 5.132 4.776 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.196 2.115 4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.645 2.966 4.460 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.999 3.606 3.146 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.889 2.178 2.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.447 4.073 1.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.810 3.579 2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.946 4.962 2.637 1.00 0.00 H new ATOM 212 N SER A 17 0.343 4.909 8.367 1.00 0.00 N ATOM 213 CA SER A 17 1.624 4.641 9.009 1.00 0.00 C ATOM 214 C SER A 17 2.227 3.336 8.496 1.00 0.00 C ATOM 215 O SER A 17 3.414 3.270 8.179 1.00 0.00 O ATOM 216 CB SER A 17 1.453 4.574 10.528 1.00 0.00 C ATOM 217 OG SER A 17 1.203 5.860 11.070 1.00 0.00 O ATOM 0 H SER A 17 -0.444 4.983 9.011 1.00 0.00 H new ATOM 0 HA SER A 17 2.303 5.457 8.762 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.629 3.905 10.775 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.351 4.154 10.980 1.00 0.00 H new ATOM 0 HG SER A 17 1.096 5.790 12.042 1.00 0.00 H new ATOM 223 N VAL A 18 1.398 2.300 8.417 1.00 0.00 N ATOM 224 CA VAL A 18 1.847 0.997 7.941 1.00 0.00 C ATOM 225 C VAL A 18 0.937 0.472 6.836 1.00 0.00 C ATOM 226 O VAL A 18 -0.131 -0.078 7.106 1.00 0.00 O ATOM 227 CB VAL A 18 1.892 -0.033 9.086 1.00 0.00 C ATOM 228 CG1 VAL A 18 2.389 -1.377 8.576 1.00 0.00 C ATOM 229 CG2 VAL A 18 2.769 0.472 10.222 1.00 0.00 C ATOM 0 H VAL A 18 0.412 2.338 8.676 1.00 0.00 H new ATOM 0 HA VAL A 18 2.853 1.134 7.545 1.00 0.00 H new ATOM 0 HB VAL A 18 0.881 -0.168 9.470 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.414 -2.092 9.399 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.718 -1.742 7.799 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.392 -1.262 8.165 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.790 -0.268 11.022 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.782 0.637 9.854 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.365 1.409 10.605 1.00 0.00 H new ATOM 239 N TYR A 19 1.368 0.645 5.592 1.00 0.00 N ATOM 240 CA TYR A 19 0.591 0.190 4.444 1.00 0.00 C ATOM 241 C TYR A 19 0.432 -1.327 4.461 1.00 0.00 C ATOM 242 O TYR A 19 1.237 -2.052 3.877 1.00 0.00 O ATOM 243 CB TYR A 19 1.262 0.629 3.142 1.00 0.00 C ATOM 244 CG TYR A 19 0.970 2.064 2.764 1.00 0.00 C ATOM 245 CD1 TYR A 19 1.114 3.090 3.690 1.00 0.00 C ATOM 246 CD2 TYR A 19 0.551 2.394 1.481 1.00 0.00 C ATOM 247 CE1 TYR A 19 0.847 4.402 3.349 1.00 0.00 C ATOM 248 CE2 TYR A 19 0.284 3.703 1.131 1.00 0.00 C ATOM 249 CZ TYR A 19 0.433 4.703 2.069 1.00 0.00 C ATOM 250 OH TYR A 19 0.167 6.009 1.725 1.00 0.00 O ATOM 0 H TYR A 19 2.251 1.097 5.352 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.399 0.642 4.505 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.340 0.499 3.237 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.932 -0.025 2.335 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.440 2.858 4.693 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.432 1.613 0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.962 5.187 4.081 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.040 3.942 0.129 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.628 6.041 1.153 1.00 0.00 H new ATOM 260 N GLU A 20 -0.613 -1.799 5.134 1.00 0.00 N ATOM 261 CA GLU A 20 -0.878 -3.230 5.227 1.00 0.00 C ATOM 262 C GLU A 20 -1.849 -3.675 4.137 1.00 0.00 C ATOM 263 O GLU A 20 -3.050 -3.423 4.221 1.00 0.00 O ATOM 264 CB GLU A 20 -1.447 -3.577 6.605 1.00 0.00 C ATOM 265 CG GLU A 20 -1.162 -5.005 7.038 1.00 0.00 C ATOM 266 CD GLU A 20 -1.084 -5.153 8.545 1.00 0.00 C ATOM 267 OE1 GLU A 20 -2.149 -5.153 9.198 1.00 0.00 O ATOM 268 OE2 GLU A 20 0.042 -5.269 9.072 1.00 0.00 O ATOM 0 H GLU A 20 -1.289 -1.212 5.622 1.00 0.00 H new ATOM 0 HA GLU A 20 0.065 -3.758 5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.031 -2.892 7.344 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.525 -3.418 6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.943 -5.660 6.652 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.222 -5.334 6.595 1.00 0.00 H new ATOM 275 N ALA A 21 -1.318 -4.338 3.115 1.00 0.00 N ATOM 276 CA ALA A 21 -2.136 -4.820 2.009 1.00 0.00 C ATOM 277 C ALA A 21 -1.879 -6.299 1.740 1.00 0.00 C ATOM 278 O ALA A 21 -0.732 -6.724 1.598 1.00 0.00 O ATOM 279 CB ALA A 21 -1.867 -3.999 0.757 1.00 0.00 C ATOM 0 H ALA A 21 -0.325 -4.554 3.030 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.184 -4.705 2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.485 -4.370 -0.061 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.108 -2.953 0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.815 -4.084 0.485 1.00 0.00 H new ATOM 285 N ASP A 22 -2.953 -7.078 1.672 1.00 0.00 N ATOM 286 CA ASP A 22 -2.843 -8.510 1.420 1.00 0.00 C ATOM 287 C ASP A 22 -2.629 -8.786 -0.065 1.00 0.00 C ATOM 288 O ASP A 22 -3.494 -8.494 -0.892 1.00 0.00 O ATOM 289 CB ASP A 22 -4.099 -9.234 1.910 1.00 0.00 C ATOM 290 CG ASP A 22 -5.239 -9.153 0.914 1.00 0.00 C ATOM 291 OD1 ASP A 22 -5.755 -8.037 0.692 1.00 0.00 O ATOM 292 OD2 ASP A 22 -5.614 -10.205 0.356 1.00 0.00 O ATOM 0 H ASP A 22 -3.909 -6.742 1.788 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.979 -8.885 1.969 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.861 -10.280 2.101 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.418 -8.802 2.858 1.00 0.00 H new ATOM 297 N LEU A 23 -1.472 -9.347 -0.397 1.00 0.00 N ATOM 298 CA LEU A 23 -1.143 -9.661 -1.783 1.00 0.00 C ATOM 299 C LEU A 23 -1.201 -11.165 -2.029 1.00 0.00 C ATOM 300 O LEU A 23 -0.651 -11.952 -1.260 1.00 0.00 O ATOM 301 CB LEU A 23 0.249 -9.129 -2.130 1.00 0.00 C ATOM 302 CG LEU A 23 0.627 -9.155 -3.612 1.00 0.00 C ATOM 303 CD1 LEU A 23 0.790 -10.588 -4.096 1.00 0.00 C ATOM 304 CD2 LEU A 23 -0.420 -8.426 -4.442 1.00 0.00 C ATOM 0 H LEU A 23 -0.745 -9.594 0.275 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.880 -9.178 -2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.322 -8.101 -1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.987 -9.711 -1.577 1.00 0.00 H new ATOM 0 HG LEU A 23 1.581 -8.641 -3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.059 -10.587 -5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.576 -11.079 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.148 -11.127 -3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.135 -8.454 -5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.388 -8.912 -4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.488 -7.389 -4.112 1.00 0.00 H new ATOM 316 N ALA A 24 -1.871 -11.557 -3.108 1.00 0.00 N ATOM 317 CA ALA A 24 -1.997 -12.966 -3.459 1.00 0.00 C ATOM 318 C ALA A 24 -0.682 -13.518 -3.999 1.00 0.00 C ATOM 319 O ALA A 24 -0.185 -13.064 -5.029 1.00 0.00 O ATOM 320 CB ALA A 24 -3.111 -13.159 -4.478 1.00 0.00 C ATOM 0 H ALA A 24 -2.335 -10.918 -3.754 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.248 -13.519 -2.554 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.194 -14.216 -4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.054 -12.812 -4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.884 -12.587 -5.378 1.00 0.00 H new ATOM 326 N GLU A 25 -0.124 -14.499 -3.296 1.00 0.00 N ATOM 327 CA GLU A 25 1.135 -15.110 -3.705 1.00 0.00 C ATOM 328 C GLU A 25 1.096 -15.500 -5.180 1.00 0.00 C ATOM 329 O GLU A 25 2.073 -15.320 -5.906 1.00 0.00 O ATOM 330 CB GLU A 25 1.431 -16.343 -2.849 1.00 0.00 C ATOM 331 CG GLU A 25 0.492 -17.508 -3.113 1.00 0.00 C ATOM 332 CD GLU A 25 0.933 -18.358 -4.289 1.00 0.00 C ATOM 333 OE1 GLU A 25 2.158 -18.494 -4.496 1.00 0.00 O ATOM 334 OE2 GLU A 25 0.056 -18.886 -5.003 1.00 0.00 O ATOM 0 H GLU A 25 -0.524 -14.887 -2.442 1.00 0.00 H new ATOM 0 HA GLU A 25 1.929 -14.377 -3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.456 -16.665 -3.033 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.367 -16.068 -1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.433 -18.131 -2.221 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.511 -17.126 -3.302 1.00 0.00 H new ATOM 341 N ASN A 26 -0.040 -16.035 -5.615 1.00 0.00 N ATOM 342 CA ASN A 26 -0.207 -16.451 -7.003 1.00 0.00 C ATOM 343 C ASN A 26 -0.177 -15.247 -7.939 1.00 0.00 C ATOM 344 O ASN A 26 0.151 -15.373 -9.119 1.00 0.00 O ATOM 345 CB ASN A 26 -1.523 -17.212 -7.174 1.00 0.00 C ATOM 346 CG ASN A 26 -2.105 -17.054 -8.566 1.00 0.00 C ATOM 347 OD1 ASN A 26 -2.888 -16.140 -8.824 1.00 0.00 O ATOM 348 ND2 ASN A 26 -1.724 -17.948 -9.471 1.00 0.00 N ATOM 0 H ASN A 26 -0.859 -16.191 -5.027 1.00 0.00 H new ATOM 0 HA ASN A 26 0.622 -17.110 -7.261 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.357 -18.270 -6.970 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.244 -16.855 -6.439 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.083 -17.893 -10.424 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.073 -18.689 -9.213 1.00 0.00 H new ATOM 355 N SER A 27 -0.521 -14.079 -7.405 1.00 0.00 N ATOM 356 CA SER A 27 -0.537 -12.853 -8.193 1.00 0.00 C ATOM 357 C SER A 27 0.540 -12.888 -9.274 1.00 0.00 C ATOM 358 O SER A 27 1.707 -13.156 -8.994 1.00 0.00 O ATOM 359 CB SER A 27 -0.327 -11.637 -7.288 1.00 0.00 C ATOM 360 OG SER A 27 -1.423 -11.464 -6.406 1.00 0.00 O ATOM 0 H SER A 27 -0.792 -13.957 -6.429 1.00 0.00 H new ATOM 0 HA SER A 27 -1.511 -12.774 -8.676 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.591 -11.761 -6.713 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.202 -10.742 -7.898 1.00 0.00 H new ATOM 0 HG SER A 27 -1.133 -11.639 -5.486 1.00 0.00 H new ATOM 366 N ALA A 28 0.136 -12.614 -10.510 1.00 0.00 N ATOM 367 CA ALA A 28 1.065 -12.612 -11.634 1.00 0.00 C ATOM 368 C ALA A 28 2.085 -11.486 -11.501 1.00 0.00 C ATOM 369 O ALA A 28 1.885 -10.519 -10.765 1.00 0.00 O ATOM 370 CB ALA A 28 0.306 -12.487 -12.946 1.00 0.00 C ATOM 0 H ALA A 28 -0.828 -12.391 -10.759 1.00 0.00 H new ATOM 0 HA ALA A 28 1.605 -13.559 -11.629 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.012 -12.487 -13.776 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.378 -13.329 -13.052 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.260 -11.556 -12.951 1.00 0.00 H new ATOM 376 N PRO A 29 3.204 -11.611 -12.229 1.00 0.00 N ATOM 377 CA PRO A 29 4.277 -10.612 -12.209 1.00 0.00 C ATOM 378 C PRO A 29 3.868 -9.308 -12.884 1.00 0.00 C ATOM 379 O PRO A 29 4.202 -9.066 -14.043 1.00 0.00 O ATOM 380 CB PRO A 29 5.406 -11.288 -12.992 1.00 0.00 C ATOM 381 CG PRO A 29 4.716 -12.260 -13.886 1.00 0.00 C ATOM 382 CD PRO A 29 3.509 -12.737 -13.128 1.00 0.00 C ATOM 0 HA PRO A 29 4.553 -10.331 -11.193 1.00 0.00 H new ATOM 0 HB2 PRO A 29 5.981 -10.561 -13.566 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.105 -11.791 -12.324 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.426 -11.788 -14.825 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.373 -13.093 -14.138 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.676 -12.955 -13.796 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.719 -13.650 -12.571 1.00 0.00 H new ATOM 390 N GLY A 30 3.142 -8.469 -12.150 1.00 0.00 N ATOM 391 CA GLY A 30 2.700 -7.199 -12.695 1.00 0.00 C ATOM 392 C GLY A 30 1.459 -6.672 -12.002 1.00 0.00 C ATOM 393 O GLY A 30 1.165 -5.477 -12.060 1.00 0.00 O ATOM 0 H GLY A 30 2.853 -8.647 -11.188 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.503 -6.468 -12.602 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.497 -7.315 -13.760 1.00 0.00 H new ATOM 397 N THR A 31 0.726 -7.565 -11.344 1.00 0.00 N ATOM 398 CA THR A 31 -0.492 -7.184 -10.639 1.00 0.00 C ATOM 399 C THR A 31 -0.235 -6.022 -9.686 1.00 0.00 C ATOM 400 O THR A 31 0.733 -6.014 -8.925 1.00 0.00 O ATOM 401 CB THR A 31 -1.074 -8.367 -9.843 1.00 0.00 C ATOM 402 OG1 THR A 31 -1.414 -9.436 -10.733 1.00 0.00 O ATOM 403 CG2 THR A 31 -2.307 -7.939 -9.062 1.00 0.00 C ATOM 0 H THR A 31 0.955 -8.557 -11.285 1.00 0.00 H new ATOM 0 HA THR A 31 -1.213 -6.876 -11.397 1.00 0.00 H new ATOM 0 HB THR A 31 -0.317 -8.709 -9.137 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.782 -10.185 -10.219 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.701 -8.791 -8.508 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.039 -7.145 -8.365 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.067 -7.574 -9.753 1.00 0.00 H new ATOM 411 N PRO A 32 -1.121 -5.016 -9.726 1.00 0.00 N ATOM 412 CA PRO A 32 -1.012 -3.831 -8.871 1.00 0.00 C ATOM 413 C PRO A 32 -1.288 -4.146 -7.405 1.00 0.00 C ATOM 414 O PRO A 32 -2.154 -4.963 -7.088 1.00 0.00 O ATOM 415 CB PRO A 32 -2.085 -2.892 -9.427 1.00 0.00 C ATOM 416 CG PRO A 32 -3.082 -3.794 -10.070 1.00 0.00 C ATOM 417 CD PRO A 32 -2.299 -4.959 -10.609 1.00 0.00 C ATOM 0 HA PRO A 32 -0.007 -3.409 -8.886 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.541 -2.299 -8.634 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.663 -2.191 -10.147 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.830 -4.126 -9.350 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.616 -3.279 -10.869 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.876 -5.883 -10.570 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -2.014 -4.805 -11.650 1.00 0.00 H new ATOM 425 N ILE A 33 -0.548 -3.494 -6.515 1.00 0.00 N ATOM 426 CA ILE A 33 -0.715 -3.704 -5.082 1.00 0.00 C ATOM 427 C ILE A 33 -1.385 -2.502 -4.424 1.00 0.00 C ATOM 428 O ILE A 33 -2.482 -2.612 -3.876 1.00 0.00 O ATOM 429 CB ILE A 33 0.635 -3.968 -4.390 1.00 0.00 C ATOM 430 CG1 ILE A 33 1.341 -5.161 -5.038 1.00 0.00 C ATOM 431 CG2 ILE A 33 0.430 -4.211 -2.903 1.00 0.00 C ATOM 432 CD1 ILE A 33 2.799 -5.281 -4.656 1.00 0.00 C ATOM 0 H ILE A 33 0.173 -2.816 -6.761 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.351 -4.581 -4.964 1.00 0.00 H new ATOM 0 HB ILE A 33 1.266 -3.087 -4.510 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.823 -6.077 -4.754 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.264 -5.074 -6.122 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.394 -4.396 -2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.034 -3.334 -2.452 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.216 -5.077 -2.762 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.235 -6.148 -5.152 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.331 -4.381 -4.964 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.883 -5.400 -3.576 1.00 0.00 H new ATOM 444 N LEU A 34 -0.718 -1.355 -4.484 1.00 0.00 N ATOM 445 CA LEU A 34 -1.249 -0.130 -3.895 1.00 0.00 C ATOM 446 C LEU A 34 -0.483 1.091 -4.395 1.00 0.00 C ATOM 447 O LEU A 34 0.659 0.979 -4.839 1.00 0.00 O ATOM 448 CB LEU A 34 -1.177 -0.201 -2.369 1.00 0.00 C ATOM 449 CG LEU A 34 0.191 -0.539 -1.776 1.00 0.00 C ATOM 450 CD1 LEU A 34 1.040 0.716 -1.644 1.00 0.00 C ATOM 451 CD2 LEU A 34 0.034 -1.224 -0.426 1.00 0.00 C ATOM 0 H LEU A 34 0.191 -1.247 -4.934 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.291 -0.032 -4.199 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.498 0.759 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.894 -0.947 -2.026 1.00 0.00 H new ATOM 0 HG LEU A 34 0.698 -1.227 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.010 0.456 -1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.182 1.164 -2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.537 1.428 -0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.018 -1.457 -0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.494 -0.561 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.535 -2.146 -0.550 1.00 0.00 H new ATOM 463 N GLN A 35 -1.119 2.255 -4.317 1.00 0.00 N ATOM 464 CA GLN A 35 -0.497 3.496 -4.761 1.00 0.00 C ATOM 465 C GLN A 35 -0.254 4.435 -3.583 1.00 0.00 C ATOM 466 O GLN A 35 -1.197 4.961 -2.991 1.00 0.00 O ATOM 467 CB GLN A 35 -1.374 4.187 -5.806 1.00 0.00 C ATOM 468 CG GLN A 35 -0.851 5.548 -6.237 1.00 0.00 C ATOM 469 CD GLN A 35 -1.861 6.329 -7.054 1.00 0.00 C ATOM 470 OE1 GLN A 35 -3.070 6.143 -6.911 1.00 0.00 O ATOM 471 NE2 GLN A 35 -1.370 7.212 -7.916 1.00 0.00 N ATOM 0 H GLN A 35 -2.065 2.364 -3.951 1.00 0.00 H new ATOM 0 HA GLN A 35 0.465 3.249 -5.211 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.455 3.544 -6.683 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.380 4.305 -5.403 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.580 6.125 -5.353 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.059 5.415 -6.822 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.361 7.334 -8.002 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.002 7.768 -8.492 1.00 0.00 H new ATOM 480 N LEU A 36 1.015 4.639 -3.248 1.00 0.00 N ATOM 481 CA LEU A 36 1.382 5.514 -2.140 1.00 0.00 C ATOM 482 C LEU A 36 0.902 6.940 -2.391 1.00 0.00 C ATOM 483 O LEU A 36 0.936 7.428 -3.521 1.00 0.00 O ATOM 484 CB LEU A 36 2.898 5.503 -1.936 1.00 0.00 C ATOM 485 CG LEU A 36 3.449 4.376 -1.061 1.00 0.00 C ATOM 486 CD1 LEU A 36 3.544 3.082 -1.854 1.00 0.00 C ATOM 487 CD2 LEU A 36 4.809 4.757 -0.494 1.00 0.00 C ATOM 0 H LEU A 36 1.807 4.211 -3.727 1.00 0.00 H new ATOM 0 HA LEU A 36 0.897 5.140 -1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.376 5.443 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.192 6.455 -1.495 1.00 0.00 H new ATOM 0 HG LEU A 36 2.762 4.219 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.938 2.292 -1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.553 2.800 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.209 3.225 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.186 3.943 0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.505 4.942 -1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.711 5.659 0.111 1.00 0.00 H new ATOM 499 N ARG A 37 0.459 7.605 -1.329 1.00 0.00 N ATOM 500 CA ARG A 37 -0.027 8.976 -1.433 1.00 0.00 C ATOM 501 C ARG A 37 0.517 9.833 -0.294 1.00 0.00 C ATOM 502 O ARG A 37 0.793 9.333 0.796 1.00 0.00 O ATOM 503 CB ARG A 37 -1.556 9.000 -1.419 1.00 0.00 C ATOM 504 CG ARG A 37 -2.182 8.788 -2.788 1.00 0.00 C ATOM 505 CD ARG A 37 -2.235 10.084 -3.582 1.00 0.00 C ATOM 506 NE ARG A 37 -3.110 11.073 -2.958 1.00 0.00 N ATOM 507 CZ ARG A 37 -3.195 12.336 -3.359 1.00 0.00 C ATOM 508 NH1 ARG A 37 -2.463 12.762 -4.379 1.00 0.00 N ATOM 509 NH2 ARG A 37 -4.015 13.176 -2.741 1.00 0.00 N ATOM 0 H ARG A 37 0.427 7.217 -0.386 1.00 0.00 H new ATOM 0 HA ARG A 37 0.327 9.390 -2.377 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.917 8.227 -0.740 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.892 9.957 -1.020 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.608 8.044 -3.341 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.190 8.390 -2.671 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.230 10.495 -3.672 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.586 9.876 -4.593 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.688 10.777 -2.171 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.832 12.119 -4.858 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.530 13.733 -4.685 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.581 12.852 -1.957 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.079 14.146 -3.050 1.00 0.00 H new ATOM 697 N TYR A 51 8.595 8.043 -4.248 1.00 0.00 N ATOM 698 CA TYR A 51 8.261 6.835 -3.502 1.00 0.00 C ATOM 699 C TYR A 51 9.290 5.737 -3.753 1.00 0.00 C ATOM 700 O TYR A 51 9.035 4.787 -4.493 1.00 0.00 O ATOM 701 CB TYR A 51 6.866 6.340 -3.891 1.00 0.00 C ATOM 702 CG TYR A 51 5.816 7.428 -3.889 1.00 0.00 C ATOM 703 CD1 TYR A 51 5.228 7.851 -2.703 1.00 0.00 C ATOM 704 CD2 TYR A 51 5.411 8.032 -5.073 1.00 0.00 C ATOM 705 CE1 TYR A 51 4.267 8.844 -2.697 1.00 0.00 C ATOM 706 CE2 TYR A 51 4.452 9.026 -5.075 1.00 0.00 C ATOM 707 CZ TYR A 51 3.883 9.428 -3.885 1.00 0.00 C ATOM 708 OH TYR A 51 2.927 10.418 -3.883 1.00 0.00 O ATOM 0 HA TYR A 51 8.270 7.080 -2.440 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.912 5.893 -4.884 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.563 5.553 -3.201 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.527 7.396 -1.770 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.853 7.719 -6.007 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.819 9.161 -1.767 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.149 9.486 -6.004 1.00 0.00 H new ATOM 0 HH TYR A 51 2.772 10.725 -4.801 1.00 0.00 H new ATOM 718 N VAL A 52 10.456 5.875 -3.129 1.00 0.00 N ATOM 719 CA VAL A 52 11.525 4.895 -3.281 1.00 0.00 C ATOM 720 C VAL A 52 11.475 3.850 -2.172 1.00 0.00 C ATOM 721 O VAL A 52 10.646 3.931 -1.266 1.00 0.00 O ATOM 722 CB VAL A 52 12.910 5.570 -3.274 1.00 0.00 C ATOM 723 CG1 VAL A 52 13.065 6.484 -4.480 1.00 0.00 C ATOM 724 CG2 VAL A 52 13.120 6.340 -1.980 1.00 0.00 C ATOM 0 H VAL A 52 10.684 6.656 -2.514 1.00 0.00 H new ATOM 0 HA VAL A 52 11.372 4.406 -4.243 1.00 0.00 H new ATOM 0 HB VAL A 52 13.673 4.795 -3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.049 6.952 -4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.961 5.900 -5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.296 7.256 -4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.103 6.810 -1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.352 7.107 -1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.056 5.655 -1.135 1.00 0.00 H new ATOM 734 N PHE A 53 12.368 2.870 -2.250 1.00 0.00 N ATOM 735 CA PHE A 53 12.426 1.807 -1.253 1.00 0.00 C ATOM 736 C PHE A 53 13.338 2.199 -0.093 1.00 0.00 C ATOM 737 O PHE A 53 14.514 1.838 -0.065 1.00 0.00 O ATOM 738 CB PHE A 53 12.922 0.507 -1.890 1.00 0.00 C ATOM 739 CG PHE A 53 11.814 -0.377 -2.386 1.00 0.00 C ATOM 740 CD1 PHE A 53 10.957 -1.002 -1.496 1.00 0.00 C ATOM 741 CD2 PHE A 53 11.631 -0.584 -3.744 1.00 0.00 C ATOM 742 CE1 PHE A 53 9.936 -1.816 -1.950 1.00 0.00 C ATOM 743 CE2 PHE A 53 10.613 -1.397 -4.204 1.00 0.00 C ATOM 744 CZ PHE A 53 9.765 -2.015 -3.305 1.00 0.00 C ATOM 0 H PHE A 53 13.062 2.789 -2.993 1.00 0.00 H new ATOM 0 HA PHE A 53 11.419 1.652 -0.865 1.00 0.00 H new ATOM 0 HB2 PHE A 53 13.584 0.749 -2.722 1.00 0.00 H new ATOM 0 HB3 PHE A 53 13.516 -0.043 -1.160 1.00 0.00 H new ATOM 0 HD1 PHE A 53 11.088 -0.852 -0.435 1.00 0.00 H new ATOM 0 HD2 PHE A 53 12.292 -0.104 -4.451 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.273 -2.296 -1.245 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.480 -1.549 -5.265 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.970 -2.653 -3.662 1.00 0.00 H new ATOM 754 N GLY A 54 12.785 2.941 0.862 1.00 0.00 N ATOM 755 CA GLY A 54 13.562 3.371 2.010 1.00 0.00 C ATOM 756 C GLY A 54 14.425 2.260 2.575 1.00 0.00 C ATOM 757 O GLY A 54 15.634 2.227 2.348 1.00 0.00 O ATOM 0 H GLY A 54 11.813 3.252 0.861 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.197 4.209 1.722 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.888 3.734 2.786 1.00 0.00 H new ATOM 761 N ALA A 55 13.802 1.348 3.314 1.00 0.00 N ATOM 762 CA ALA A 55 14.521 0.230 3.913 1.00 0.00 C ATOM 763 C ALA A 55 13.955 -1.104 3.438 1.00 0.00 C ATOM 764 O ALA A 55 13.134 -1.719 4.118 1.00 0.00 O ATOM 765 CB ALA A 55 14.464 0.319 5.431 1.00 0.00 C ATOM 0 H ALA A 55 12.802 1.361 3.512 1.00 0.00 H new ATOM 0 HA ALA A 55 15.562 0.287 3.595 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.005 -0.522 5.865 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.922 1.253 5.758 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.425 0.290 5.758 1.00 0.00 H new ATOM 771 N ALA A 56 14.399 -1.546 2.266 1.00 0.00 N ATOM 772 CA ALA A 56 13.938 -2.808 1.701 1.00 0.00 C ATOM 773 C ALA A 56 15.101 -3.770 1.484 1.00 0.00 C ATOM 774 O ALA A 56 16.251 -3.449 1.784 1.00 0.00 O ATOM 775 CB ALA A 56 13.202 -2.563 0.392 1.00 0.00 C ATOM 0 H ALA A 56 15.078 -1.049 1.689 1.00 0.00 H new ATOM 0 HA ALA A 56 13.250 -3.266 2.412 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.863 -3.514 -0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.341 -1.919 0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.873 -2.080 -0.318 1.00 0.00 H new ATOM 781 N THR A 57 14.795 -4.953 0.960 1.00 0.00 N ATOM 782 CA THR A 57 15.814 -5.963 0.705 1.00 0.00 C ATOM 783 C THR A 57 15.917 -6.277 -0.783 1.00 0.00 C ATOM 784 O THR A 57 14.994 -6.001 -1.549 1.00 0.00 O ATOM 785 CB THR A 57 15.520 -7.265 1.473 1.00 0.00 C ATOM 786 OG1 THR A 57 14.352 -7.897 0.937 1.00 0.00 O ATOM 787 CG2 THR A 57 15.317 -6.985 2.955 1.00 0.00 C ATOM 0 H THR A 57 13.849 -5.235 0.704 1.00 0.00 H new ATOM 0 HA THR A 57 16.761 -5.550 1.053 1.00 0.00 H new ATOM 0 HB THR A 57 16.376 -7.930 1.359 1.00 0.00 H new ATOM 0 HG1 THR A 57 14.173 -8.725 1.430 1.00 0.00 H new ATOM 0 HG21 THR A 57 15.111 -7.919 3.477 1.00 0.00 H new ATOM 0 HG22 THR A 57 16.219 -6.531 3.366 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.476 -6.304 3.085 1.00 0.00 H new ATOM 795 N GLU A 58 17.044 -6.855 -1.185 1.00 0.00 N ATOM 796 CA GLU A 58 17.265 -7.206 -2.583 1.00 0.00 C ATOM 797 C GLU A 58 16.123 -8.066 -3.116 1.00 0.00 C ATOM 798 O GLU A 58 15.560 -7.783 -4.173 1.00 0.00 O ATOM 799 CB GLU A 58 18.594 -7.949 -2.741 1.00 0.00 C ATOM 800 CG GLU A 58 19.167 -7.878 -4.147 1.00 0.00 C ATOM 801 CD GLU A 58 20.654 -8.174 -4.186 1.00 0.00 C ATOM 802 OE1 GLU A 58 21.356 -7.811 -3.220 1.00 0.00 O ATOM 803 OE2 GLU A 58 21.114 -8.769 -5.183 1.00 0.00 O ATOM 0 H GLU A 58 17.818 -7.090 -0.563 1.00 0.00 H new ATOM 0 HA GLU A 58 17.301 -6.283 -3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 58 19.319 -7.533 -2.041 1.00 0.00 H new ATOM 0 HB3 GLU A 58 18.451 -8.995 -2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 58 18.642 -8.588 -4.786 1.00 0.00 H new ATOM 0 HG3 GLU A 58 18.987 -6.885 -4.559 1.00 0.00 H new ATOM 810 N SER A 59 15.787 -9.118 -2.376 1.00 0.00 N ATOM 811 CA SER A 59 14.715 -10.022 -2.775 1.00 0.00 C ATOM 812 C SER A 59 13.420 -9.254 -3.023 1.00 0.00 C ATOM 813 O SER A 59 12.749 -9.456 -4.035 1.00 0.00 O ATOM 814 CB SER A 59 14.491 -11.088 -1.700 1.00 0.00 C ATOM 815 OG SER A 59 13.742 -12.177 -2.210 1.00 0.00 O ATOM 0 H SER A 59 16.242 -9.365 -1.497 1.00 0.00 H new ATOM 0 HA SER A 59 15.012 -10.509 -3.704 1.00 0.00 H new ATOM 0 HB2 SER A 59 15.453 -11.445 -1.331 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.967 -10.648 -0.851 1.00 0.00 H new ATOM 0 HG SER A 59 13.614 -12.845 -1.504 1.00 0.00 H new ATOM 821 N VAL A 60 13.075 -8.372 -2.091 1.00 0.00 N ATOM 822 CA VAL A 60 11.862 -7.572 -2.207 1.00 0.00 C ATOM 823 C VAL A 60 11.969 -6.575 -3.355 1.00 0.00 C ATOM 824 O VAL A 60 10.994 -6.318 -4.061 1.00 0.00 O ATOM 825 CB VAL A 60 11.567 -6.807 -0.903 1.00 0.00 C ATOM 826 CG1 VAL A 60 10.424 -5.825 -1.107 1.00 0.00 C ATOM 827 CG2 VAL A 60 11.251 -7.779 0.224 1.00 0.00 C ATOM 0 H VAL A 60 13.619 -8.193 -1.247 1.00 0.00 H new ATOM 0 HA VAL A 60 11.044 -8.265 -2.406 1.00 0.00 H new ATOM 0 HB VAL A 60 12.456 -6.240 -0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.230 -5.294 -0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.694 -5.109 -1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.528 -6.367 -1.409 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.045 -7.222 1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.378 -8.374 -0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.104 -8.438 0.385 1.00 0.00 H new ATOM 837 N ARG A 61 13.161 -6.016 -3.536 1.00 0.00 N ATOM 838 CA ARG A 61 13.396 -5.045 -4.598 1.00 0.00 C ATOM 839 C ARG A 61 13.209 -5.686 -5.971 1.00 0.00 C ATOM 840 O ARG A 61 12.579 -5.107 -6.856 1.00 0.00 O ATOM 841 CB ARG A 61 14.806 -4.463 -4.484 1.00 0.00 C ATOM 842 CG ARG A 61 14.959 -3.456 -3.355 1.00 0.00 C ATOM 843 CD ARG A 61 16.164 -2.554 -3.573 1.00 0.00 C ATOM 844 NE ARG A 61 15.930 -1.574 -4.631 1.00 0.00 N ATOM 845 CZ ARG A 61 16.615 -0.442 -4.748 1.00 0.00 C ATOM 846 NH1 ARG A 61 17.572 -0.149 -3.879 1.00 0.00 N ATOM 847 NH2 ARG A 61 16.344 0.399 -5.738 1.00 0.00 N ATOM 0 H ARG A 61 13.979 -6.219 -2.961 1.00 0.00 H new ATOM 0 HA ARG A 61 12.668 -4.241 -4.488 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.515 -5.277 -4.332 1.00 0.00 H new ATOM 0 HB3 ARG A 61 15.069 -3.983 -5.426 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.057 -2.849 -3.283 1.00 0.00 H new ATOM 0 HG3 ARG A 61 15.065 -3.984 -2.407 1.00 0.00 H new ATOM 0 HD2 ARG A 61 16.401 -2.035 -2.644 1.00 0.00 H new ATOM 0 HD3 ARG A 61 17.031 -3.163 -3.828 1.00 0.00 H new ATOM 0 HE ARG A 61 15.201 -1.770 -5.317 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.784 -0.794 -3.118 1.00 0.00 H new ATOM 0 HH12 ARG A 61 18.096 0.721 -3.972 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.609 0.176 -6.410 1.00 0.00 H new ATOM 0 HH22 ARG A 61 16.870 1.268 -5.827 1.00 0.00 H new ATOM 861 N ARG A 62 13.760 -6.883 -6.139 1.00 0.00 N ATOM 862 CA ARG A 62 13.656 -7.601 -7.404 1.00 0.00 C ATOM 863 C ARG A 62 12.306 -8.305 -7.520 1.00 0.00 C ATOM 864 O ARG A 62 11.768 -8.461 -8.616 1.00 0.00 O ATOM 865 CB ARG A 62 14.788 -8.622 -7.530 1.00 0.00 C ATOM 866 CG ARG A 62 14.684 -9.772 -6.542 1.00 0.00 C ATOM 867 CD ARG A 62 15.987 -10.551 -6.456 1.00 0.00 C ATOM 868 NE ARG A 62 15.769 -11.940 -6.057 1.00 0.00 N ATOM 869 CZ ARG A 62 16.604 -12.929 -6.354 1.00 0.00 C ATOM 870 NH1 ARG A 62 17.707 -12.684 -7.047 1.00 0.00 N ATOM 871 NH2 ARG A 62 16.337 -14.166 -5.956 1.00 0.00 N ATOM 0 H ARG A 62 14.283 -7.376 -5.416 1.00 0.00 H new ATOM 0 HA ARG A 62 13.739 -6.875 -8.213 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.792 -9.024 -8.543 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.742 -8.114 -7.385 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.425 -9.385 -5.557 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.878 -10.441 -6.844 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.489 -10.526 -7.423 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.652 -10.068 -5.740 1.00 0.00 H new ATOM 0 HE ARG A 62 14.930 -12.162 -5.521 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.916 -11.734 -7.354 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.347 -13.446 -7.274 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.490 -14.358 -5.421 1.00 0.00 H new ATOM 0 HH22 ARG A 62 16.979 -14.925 -6.185 1.00 0.00 H new ATOM 885 N LEU A 63 11.766 -8.727 -6.382 1.00 0.00 N ATOM 886 CA LEU A 63 10.480 -9.415 -6.355 1.00 0.00 C ATOM 887 C LEU A 63 9.334 -8.437 -6.596 1.00 0.00 C ATOM 888 O LEU A 63 8.333 -8.780 -7.226 1.00 0.00 O ATOM 889 CB LEU A 63 10.287 -10.124 -5.014 1.00 0.00 C ATOM 890 CG LEU A 63 8.873 -10.625 -4.716 1.00 0.00 C ATOM 891 CD1 LEU A 63 8.425 -11.619 -5.776 1.00 0.00 C ATOM 892 CD2 LEU A 63 8.809 -11.252 -3.332 1.00 0.00 C ATOM 0 H LEU A 63 12.198 -8.605 -5.466 1.00 0.00 H new ATOM 0 HA LEU A 63 10.475 -10.156 -7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.968 -10.974 -4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.584 -9.440 -4.219 1.00 0.00 H new ATOM 0 HG LEU A 63 8.194 -9.772 -4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.417 -11.965 -5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.430 -11.136 -6.753 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.106 -12.470 -5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.795 -11.603 -3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.500 -12.094 -3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.086 -10.510 -2.583 1.00 0.00 H new ATOM 904 N LEU A 64 9.489 -7.218 -6.091 1.00 0.00 N ATOM 905 CA LEU A 64 8.468 -6.188 -6.253 1.00 0.00 C ATOM 906 C LEU A 64 9.057 -4.933 -6.890 1.00 0.00 C ATOM 907 O LEU A 64 10.196 -4.560 -6.611 1.00 0.00 O ATOM 908 CB LEU A 64 7.845 -5.843 -4.900 1.00 0.00 C ATOM 909 CG LEU A 64 7.088 -6.973 -4.201 1.00 0.00 C ATOM 910 CD1 LEU A 64 7.190 -6.830 -2.690 1.00 0.00 C ATOM 911 CD2 LEU A 64 5.631 -6.991 -4.640 1.00 0.00 C ATOM 0 H LEU A 64 10.311 -6.919 -5.566 1.00 0.00 H new ATOM 0 HA LEU A 64 7.694 -6.579 -6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.637 -5.498 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.160 -5.007 -5.041 1.00 0.00 H new ATOM 0 HG LEU A 64 7.544 -7.921 -4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.645 -7.643 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.237 -6.869 -2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.761 -5.876 -2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.108 -7.802 -4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.162 -6.041 -4.385 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.578 -7.144 -5.718 1.00 0.00 H new ATOM 923 N ARG A 65 8.271 -4.285 -7.744 1.00 0.00 N ATOM 924 CA ARG A 65 8.714 -3.071 -8.419 1.00 0.00 C ATOM 925 C ARG A 65 7.907 -1.864 -7.953 1.00 0.00 C ATOM 926 O ARG A 65 6.678 -1.855 -8.039 1.00 0.00 O ATOM 927 CB ARG A 65 8.586 -3.230 -9.935 1.00 0.00 C ATOM 928 CG ARG A 65 9.075 -2.022 -10.718 1.00 0.00 C ATOM 929 CD ARG A 65 10.540 -2.161 -11.098 1.00 0.00 C ATOM 930 NE ARG A 65 11.428 -1.818 -9.991 1.00 0.00 N ATOM 931 CZ ARG A 65 12.679 -1.400 -10.153 1.00 0.00 C ATOM 932 NH1 ARG A 65 13.186 -1.274 -11.372 1.00 0.00 N ATOM 933 NH2 ARG A 65 13.425 -1.108 -9.096 1.00 0.00 N ATOM 0 H ARG A 65 7.325 -4.580 -7.985 1.00 0.00 H new ATOM 0 HA ARG A 65 9.761 -2.905 -8.165 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.150 -4.108 -10.249 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.542 -3.416 -10.185 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.474 -1.904 -11.619 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.937 -1.120 -10.122 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.736 -3.185 -11.416 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.756 -1.516 -11.949 1.00 0.00 H new ATOM 0 HE ARG A 65 11.068 -1.904 -9.040 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.615 -1.498 -12.187 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.146 -0.953 -11.494 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.039 -1.204 -8.157 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.385 -0.787 -9.222 1.00 0.00 H new ATOM 947 N LEU A 66 8.604 -0.847 -7.458 1.00 0.00 N ATOM 948 CA LEU A 66 7.953 0.366 -6.977 1.00 0.00 C ATOM 949 C LEU A 66 8.360 1.572 -7.817 1.00 0.00 C ATOM 950 O LEU A 66 9.499 1.667 -8.274 1.00 0.00 O ATOM 951 CB LEU A 66 8.305 0.610 -5.509 1.00 0.00 C ATOM 952 CG LEU A 66 7.960 1.993 -4.957 1.00 0.00 C ATOM 953 CD1 LEU A 66 6.452 2.188 -4.907 1.00 0.00 C ATOM 954 CD2 LEU A 66 8.570 2.184 -3.576 1.00 0.00 C ATOM 0 H LEU A 66 9.621 -0.839 -7.379 1.00 0.00 H new ATOM 0 HA LEU A 66 6.875 0.231 -7.068 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.793 -0.139 -4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.375 0.446 -5.381 1.00 0.00 H new ATOM 0 HG LEU A 66 8.381 2.744 -5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.226 3.178 -4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.040 2.096 -5.912 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.008 1.430 -4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.314 3.174 -3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.180 1.425 -2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.654 2.090 -3.641 1.00 0.00 H new ATOM 966 N ASP A 67 7.422 2.492 -8.015 1.00 0.00 N ATOM 967 CA ASP A 67 7.684 3.695 -8.796 1.00 0.00 C ATOM 968 C ASP A 67 7.861 4.907 -7.887 1.00 0.00 C ATOM 969 O ASP A 67 7.513 4.865 -6.707 1.00 0.00 O ATOM 970 CB ASP A 67 6.544 3.946 -9.784 1.00 0.00 C ATOM 971 CG ASP A 67 6.529 2.940 -10.918 1.00 0.00 C ATOM 972 OD1 ASP A 67 6.202 1.762 -10.662 1.00 0.00 O ATOM 973 OD2 ASP A 67 6.845 3.330 -12.062 1.00 0.00 O ATOM 0 H ASP A 67 6.474 2.427 -7.645 1.00 0.00 H new ATOM 0 HA ASP A 67 8.609 3.542 -9.351 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.592 3.906 -9.254 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.638 4.951 -10.195 1.00 0.00 H new ATOM 978 N GLU A 68 8.404 5.985 -8.444 1.00 0.00 N ATOM 979 CA GLU A 68 8.629 7.207 -7.681 1.00 0.00 C ATOM 980 C GLU A 68 7.981 8.405 -8.370 1.00 0.00 C ATOM 981 O GLU A 68 7.520 9.339 -7.714 1.00 0.00 O ATOM 982 CB GLU A 68 10.128 7.456 -7.504 1.00 0.00 C ATOM 983 CG GLU A 68 10.791 8.071 -8.726 1.00 0.00 C ATOM 984 CD GLU A 68 11.052 7.055 -9.821 1.00 0.00 C ATOM 985 OE1 GLU A 68 11.289 5.874 -9.491 1.00 0.00 O ATOM 986 OE2 GLU A 68 11.018 7.441 -11.008 1.00 0.00 O ATOM 0 H GLU A 68 8.696 6.037 -9.420 1.00 0.00 H new ATOM 0 HA GLU A 68 8.171 7.082 -6.700 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.280 8.114 -6.649 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.620 6.512 -7.271 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.157 8.866 -9.117 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.734 8.531 -8.430 1.00 0.00 H new ATOM 993 N THR A 69 7.949 8.370 -9.699 1.00 0.00 N ATOM 994 CA THR A 69 7.360 9.452 -10.478 1.00 0.00 C ATOM 995 C THR A 69 5.857 9.543 -10.243 1.00 0.00 C ATOM 996 O THR A 69 5.301 10.636 -10.132 1.00 0.00 O ATOM 997 CB THR A 69 7.623 9.267 -11.984 1.00 0.00 C ATOM 998 OG1 THR A 69 7.051 10.355 -12.718 1.00 0.00 O ATOM 999 CG2 THR A 69 7.039 7.953 -12.478 1.00 0.00 C ATOM 0 H THR A 69 8.324 7.604 -10.258 1.00 0.00 H new ATOM 0 HA THR A 69 7.833 10.376 -10.145 1.00 0.00 H new ATOM 0 HB THR A 69 8.701 9.249 -12.143 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.224 10.231 -13.675 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.237 7.845 -13.544 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.498 7.125 -11.938 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.963 7.946 -12.307 1.00 0.00 H new ATOM 1007 N SER A 70 5.203 8.388 -10.169 1.00 0.00 N ATOM 1008 CA SER A 70 3.762 8.337 -9.950 1.00 0.00 C ATOM 1009 C SER A 70 3.443 7.832 -8.547 1.00 0.00 C ATOM 1010 O SER A 70 2.585 8.382 -7.857 1.00 0.00 O ATOM 1011 CB SER A 70 3.099 7.435 -10.993 1.00 0.00 C ATOM 1012 OG SER A 70 3.496 6.085 -10.826 1.00 0.00 O ATOM 0 H SER A 70 5.648 7.475 -10.258 1.00 0.00 H new ATOM 0 HA SER A 70 3.368 9.348 -10.051 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.015 7.512 -10.908 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.365 7.774 -11.994 1.00 0.00 H new ATOM 0 HG SER A 70 3.057 5.529 -11.503 1.00 0.00 H new ATOM 1018 N GLY A 71 4.141 6.780 -8.130 1.00 0.00 N ATOM 1019 CA GLY A 71 3.918 6.217 -6.811 1.00 0.00 C ATOM 1020 C GLY A 71 2.967 5.038 -6.837 1.00 0.00 C ATOM 1021 O GLY A 71 2.036 4.965 -6.035 1.00 0.00 O ATOM 0 H GLY A 71 4.857 6.308 -8.682 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.872 5.901 -6.388 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.518 6.988 -6.153 1.00 0.00 H new ATOM 1025 N TRP A 72 3.200 4.113 -7.761 1.00 0.00 N ATOM 1026 CA TRP A 72 2.354 2.931 -7.890 1.00 0.00 C ATOM 1027 C TRP A 72 3.149 1.661 -7.610 1.00 0.00 C ATOM 1028 O TRP A 72 4.125 1.362 -8.299 1.00 0.00 O ATOM 1029 CB TRP A 72 1.742 2.867 -9.290 1.00 0.00 C ATOM 1030 CG TRP A 72 0.406 3.538 -9.386 1.00 0.00 C ATOM 1031 CD1 TRP A 72 0.151 4.793 -9.862 1.00 0.00 C ATOM 1032 CD2 TRP A 72 -0.858 2.992 -8.993 1.00 0.00 C ATOM 1033 NE1 TRP A 72 -1.195 5.059 -9.789 1.00 0.00 N ATOM 1034 CE2 TRP A 72 -1.836 3.970 -9.261 1.00 0.00 C ATOM 1035 CE3 TRP A 72 -1.259 1.771 -8.444 1.00 0.00 C ATOM 1036 CZ2 TRP A 72 -3.187 3.763 -8.996 1.00 0.00 C ATOM 1037 CZ3 TRP A 72 -2.601 1.567 -8.182 1.00 0.00 C ATOM 1038 CH2 TRP A 72 -3.552 2.559 -8.458 1.00 0.00 C ATOM 0 H TRP A 72 3.967 4.158 -8.432 1.00 0.00 H new ATOM 0 HA TRP A 72 1.553 3.005 -7.155 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.426 3.333 -9.999 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.638 1.823 -9.586 1.00 0.00 H new ATOM 0 HD1 TRP A 72 0.898 5.476 -10.240 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.644 5.927 -10.081 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.534 1.001 -8.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -3.921 4.526 -9.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.922 0.627 -7.757 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -4.593 2.369 -8.242 1.00 0.00 H new ATOM 1049 N LEU A 73 2.726 0.915 -6.595 1.00 0.00 N ATOM 1050 CA LEU A 73 3.399 -0.325 -6.224 1.00 0.00 C ATOM 1051 C LEU A 73 2.756 -1.522 -6.917 1.00 0.00 C ATOM 1052 O LEU A 73 1.531 -1.622 -6.995 1.00 0.00 O ATOM 1053 CB LEU A 73 3.357 -0.517 -4.707 1.00 0.00 C ATOM 1054 CG LEU A 73 4.205 -1.662 -4.151 1.00 0.00 C ATOM 1055 CD1 LEU A 73 5.685 -1.377 -4.354 1.00 0.00 C ATOM 1056 CD2 LEU A 73 3.900 -1.885 -2.677 1.00 0.00 C ATOM 0 H LEU A 73 1.920 1.147 -6.014 1.00 0.00 H new ATOM 0 HA LEU A 73 4.438 -0.256 -6.547 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.680 0.411 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.321 -0.682 -4.410 1.00 0.00 H new ATOM 0 HG LEU A 73 3.953 -2.572 -4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.273 -2.202 -3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.892 -1.268 -5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.952 -0.456 -3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.513 -2.703 -2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.123 -0.976 -2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.846 -2.135 -2.557 1.00 0.00 H new ATOM 1068 N SER A 74 3.589 -2.428 -7.417 1.00 0.00 N ATOM 1069 CA SER A 74 3.103 -3.618 -8.105 1.00 0.00 C ATOM 1070 C SER A 74 4.150 -4.727 -8.081 1.00 0.00 C ATOM 1071 O SER A 74 5.310 -4.493 -7.740 1.00 0.00 O ATOM 1072 CB SER A 74 2.733 -3.281 -9.551 1.00 0.00 C ATOM 1073 OG SER A 74 3.891 -3.149 -10.356 1.00 0.00 O ATOM 0 H SER A 74 4.605 -2.361 -7.359 1.00 0.00 H new ATOM 0 HA SER A 74 2.214 -3.972 -7.582 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.091 -4.063 -9.957 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.161 -2.354 -9.577 1.00 0.00 H new ATOM 0 HG SER A 74 3.628 -2.935 -11.275 1.00 0.00 H new ATOM 1079 N VAL A 75 3.733 -5.935 -8.445 1.00 0.00 N ATOM 1080 CA VAL A 75 4.634 -7.081 -8.467 1.00 0.00 C ATOM 1081 C VAL A 75 5.550 -7.037 -9.686 1.00 0.00 C ATOM 1082 O VAL A 75 5.195 -6.475 -10.723 1.00 0.00 O ATOM 1083 CB VAL A 75 3.854 -8.409 -8.473 1.00 0.00 C ATOM 1084 CG1 VAL A 75 4.810 -9.590 -8.416 1.00 0.00 C ATOM 1085 CG2 VAL A 75 2.869 -8.452 -7.314 1.00 0.00 C ATOM 0 H VAL A 75 2.776 -6.146 -8.729 1.00 0.00 H new ATOM 0 HA VAL A 75 5.237 -7.026 -7.560 1.00 0.00 H new ATOM 0 HB VAL A 75 3.289 -8.475 -9.403 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.241 -10.520 -8.421 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.471 -9.565 -9.282 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.404 -9.533 -7.504 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.326 -9.397 -7.333 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.411 -8.364 -6.372 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.163 -7.626 -7.405 1.00 0.00 H new ATOM 1095 N LEU A 76 6.729 -7.633 -9.554 1.00 0.00 N ATOM 1096 CA LEU A 76 7.698 -7.663 -10.645 1.00 0.00 C ATOM 1097 C LEU A 76 8.006 -9.098 -11.060 1.00 0.00 C ATOM 1098 O LEU A 76 8.103 -9.404 -12.248 1.00 0.00 O ATOM 1099 CB LEU A 76 8.986 -6.952 -10.229 1.00 0.00 C ATOM 1100 CG LEU A 76 10.016 -6.726 -11.336 1.00 0.00 C ATOM 1101 CD1 LEU A 76 9.448 -5.818 -12.416 1.00 0.00 C ATOM 1102 CD2 LEU A 76 11.297 -6.137 -10.762 1.00 0.00 C ATOM 0 H LEU A 76 7.038 -8.102 -8.703 1.00 0.00 H new ATOM 0 HA LEU A 76 7.263 -7.143 -11.499 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.722 -5.984 -9.803 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.457 -7.532 -9.435 1.00 0.00 H new ATOM 0 HG LEU A 76 10.253 -7.690 -11.787 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.195 -5.668 -13.195 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.560 -6.278 -12.848 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.182 -4.856 -11.979 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.018 -5.983 -11.565 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.076 -5.182 -10.284 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.715 -6.823 -10.025 1.00 0.00 H new ATOM 1114 N HIS A 77 8.157 -9.974 -10.072 1.00 0.00 N ATOM 1115 CA HIS A 77 8.452 -11.379 -10.335 1.00 0.00 C ATOM 1116 C HIS A 77 7.477 -12.287 -9.591 1.00 0.00 C ATOM 1117 O HIS A 77 7.063 -11.984 -8.472 1.00 0.00 O ATOM 1118 CB HIS A 77 9.887 -11.706 -9.923 1.00 0.00 C ATOM 1119 CG HIS A 77 10.895 -11.437 -10.998 1.00 0.00 C ATOM 1120 ND1 HIS A 77 10.723 -11.833 -12.307 1.00 0.00 N ATOM 1121 CD2 HIS A 77 12.091 -10.804 -10.952 1.00 0.00 C ATOM 1122 CE1 HIS A 77 11.770 -11.458 -13.020 1.00 0.00 C ATOM 1123 NE2 HIS A 77 12.615 -10.831 -12.221 1.00 0.00 N ATOM 0 H HIS A 77 8.080 -9.737 -9.083 1.00 0.00 H new ATOM 0 HA HIS A 77 8.340 -11.554 -11.405 1.00 0.00 H new ATOM 0 HB2 HIS A 77 10.145 -11.121 -9.040 1.00 0.00 H new ATOM 0 HB3 HIS A 77 9.944 -12.756 -9.638 1.00 0.00 H new ATOM 0 HD2 HIS A 77 12.548 -10.360 -10.080 1.00 0.00 H new ATOM 0 HE1 HIS A 77 11.911 -11.634 -14.076 1.00 0.00 H new ATOM 0 HE2 HIS A 77 13.511 -10.432 -12.501 1.00 0.00 H new ATOM 1132 N ARG A 78 7.115 -13.400 -10.220 1.00 0.00 N ATOM 1133 CA ARG A 78 6.188 -14.350 -9.619 1.00 0.00 C ATOM 1134 C ARG A 78 6.461 -14.506 -8.126 1.00 0.00 C ATOM 1135 O ARG A 78 7.613 -14.609 -7.703 1.00 0.00 O ATOM 1136 CB ARG A 78 6.296 -15.710 -10.313 1.00 0.00 C ATOM 1137 CG ARG A 78 5.862 -15.686 -11.769 1.00 0.00 C ATOM 1138 CD ARG A 78 5.305 -17.032 -12.206 1.00 0.00 C ATOM 1139 NE ARG A 78 3.954 -17.256 -11.699 1.00 0.00 N ATOM 1140 CZ ARG A 78 3.232 -18.334 -11.984 1.00 0.00 C ATOM 1141 NH1 ARG A 78 3.729 -19.281 -12.767 1.00 0.00 N ATOM 1142 NH2 ARG A 78 2.009 -18.466 -11.484 1.00 0.00 N ATOM 0 H ARG A 78 7.450 -13.666 -11.146 1.00 0.00 H new ATOM 0 HA ARG A 78 5.177 -13.963 -9.748 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.328 -16.057 -10.256 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.686 -16.434 -9.773 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.106 -14.914 -11.912 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.711 -15.420 -12.399 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.297 -17.085 -13.295 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.961 -17.828 -11.853 1.00 0.00 H new ATOM 0 HE ARG A 78 3.542 -16.546 -11.093 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.668 -19.183 -13.152 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.172 -20.108 -12.984 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.623 -17.739 -10.881 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.455 -19.294 -11.703 1.00 0.00 H new ATOM 1156 N ILE A 79 5.395 -14.522 -7.333 1.00 0.00 N ATOM 1157 CA ILE A 79 5.520 -14.665 -5.888 1.00 0.00 C ATOM 1158 C ILE A 79 5.091 -16.056 -5.434 1.00 0.00 C ATOM 1159 O ILE A 79 4.119 -16.614 -5.943 1.00 0.00 O ATOM 1160 CB ILE A 79 4.679 -13.612 -5.142 1.00 0.00 C ATOM 1161 CG1 ILE A 79 5.147 -12.202 -5.507 1.00 0.00 C ATOM 1162 CG2 ILE A 79 4.765 -13.833 -3.639 1.00 0.00 C ATOM 1163 CD1 ILE A 79 4.051 -11.163 -5.431 1.00 0.00 C ATOM 0 H ILE A 79 4.435 -14.438 -7.667 1.00 0.00 H new ATOM 0 HA ILE A 79 6.572 -14.515 -5.647 1.00 0.00 H new ATOM 0 HB ILE A 79 3.638 -13.718 -5.446 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.958 -11.913 -4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.556 -12.214 -6.517 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.166 -13.081 -3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.388 -14.826 -3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.803 -13.750 -3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.455 -10.188 -5.703 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.249 -11.429 -6.120 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.658 -11.123 -4.415 1.00 0.00 H new ATOM 1175 N ASP A 80 5.823 -16.611 -4.474 1.00 0.00 N ATOM 1176 CA ASP A 80 5.516 -17.937 -3.949 1.00 0.00 C ATOM 1177 C ASP A 80 5.424 -17.910 -2.426 1.00 0.00 C ATOM 1178 O ASP A 80 6.408 -17.636 -1.740 1.00 0.00 O ATOM 1179 CB ASP A 80 6.581 -18.942 -4.390 1.00 0.00 C ATOM 1180 CG ASP A 80 6.035 -20.351 -4.505 1.00 0.00 C ATOM 1181 OD1 ASP A 80 4.932 -20.515 -5.066 1.00 0.00 O ATOM 1182 OD2 ASP A 80 6.711 -21.290 -4.033 1.00 0.00 O ATOM 0 H ASP A 80 6.633 -16.164 -4.044 1.00 0.00 H new ATOM 0 HA ASP A 80 4.550 -18.245 -4.348 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.990 -18.634 -5.352 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.404 -18.932 -3.676 1.00 0.00 H new ATOM 1187 N ARG A 81 4.235 -18.195 -1.906 1.00 0.00 N ATOM 1188 CA ARG A 81 4.014 -18.202 -0.465 1.00 0.00 C ATOM 1189 C ARG A 81 5.072 -19.041 0.244 1.00 0.00 C ATOM 1190 O ARG A 81 5.483 -18.725 1.360 1.00 0.00 O ATOM 1191 CB ARG A 81 2.619 -18.743 -0.144 1.00 0.00 C ATOM 1192 CG ARG A 81 2.116 -18.351 1.236 1.00 0.00 C ATOM 1193 CD ARG A 81 2.554 -19.351 2.294 1.00 0.00 C ATOM 1194 NE ARG A 81 2.297 -18.865 3.647 1.00 0.00 N ATOM 1195 CZ ARG A 81 2.970 -19.275 4.716 1.00 0.00 C ATOM 1196 NH1 ARG A 81 3.937 -20.174 4.590 1.00 0.00 N ATOM 1197 NH2 ARG A 81 2.678 -18.786 5.914 1.00 0.00 N ATOM 0 H ARG A 81 3.410 -18.424 -2.461 1.00 0.00 H new ATOM 0 HA ARG A 81 4.090 -17.175 -0.107 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.916 -18.380 -0.894 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.634 -19.830 -0.221 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.491 -17.360 1.493 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.028 -18.287 1.223 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.028 -20.294 2.142 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.618 -19.557 2.179 1.00 0.00 H new ATOM 0 HE ARG A 81 1.560 -18.172 3.778 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.165 -20.552 3.671 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.452 -20.487 5.413 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.936 -18.094 6.015 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.196 -19.102 6.734 1.00 0.00 H new ATOM 1211 N GLU A 82 5.509 -20.112 -0.412 1.00 0.00 N ATOM 1212 CA GLU A 82 6.519 -20.996 0.157 1.00 0.00 C ATOM 1213 C GLU A 82 7.795 -20.226 0.485 1.00 0.00 C ATOM 1214 O GLU A 82 8.160 -20.079 1.650 1.00 0.00 O ATOM 1215 CB GLU A 82 6.834 -22.137 -0.813 1.00 0.00 C ATOM 1216 CG GLU A 82 7.250 -23.425 -0.122 1.00 0.00 C ATOM 1217 CD GLU A 82 8.155 -24.284 -0.985 1.00 0.00 C ATOM 1218 OE1 GLU A 82 7.717 -24.687 -2.083 1.00 0.00 O ATOM 1219 OE2 GLU A 82 9.299 -24.552 -0.563 1.00 0.00 O ATOM 0 H GLU A 82 5.179 -20.388 -1.337 1.00 0.00 H new ATOM 0 HA GLU A 82 6.120 -21.413 1.081 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.956 -22.332 -1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.632 -21.821 -1.486 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.763 -23.184 0.809 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.359 -23.995 0.143 1.00 0.00 H new ATOM 1226 N GLU A 83 8.467 -19.738 -0.553 1.00 0.00 N ATOM 1227 CA GLU A 83 9.703 -18.984 -0.375 1.00 0.00 C ATOM 1228 C GLU A 83 9.499 -17.826 0.598 1.00 0.00 C ATOM 1229 O GLU A 83 10.371 -17.524 1.413 1.00 0.00 O ATOM 1230 CB GLU A 83 10.200 -18.452 -1.721 1.00 0.00 C ATOM 1231 CG GLU A 83 9.392 -17.276 -2.246 1.00 0.00 C ATOM 1232 CD GLU A 83 10.074 -16.571 -3.403 1.00 0.00 C ATOM 1233 OE1 GLU A 83 11.315 -16.440 -3.370 1.00 0.00 O ATOM 1234 OE2 GLU A 83 9.364 -16.151 -4.341 1.00 0.00 O ATOM 0 H GLU A 83 8.177 -19.851 -1.524 1.00 0.00 H new ATOM 0 HA GLU A 83 10.453 -19.657 0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.242 -18.150 -1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.171 -19.258 -2.454 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.411 -17.628 -2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.227 -16.564 -1.438 1.00 0.00 H new ATOM 1241 N VAL A 84 8.340 -17.181 0.507 1.00 0.00 N ATOM 1242 CA VAL A 84 8.020 -16.057 1.379 1.00 0.00 C ATOM 1243 C VAL A 84 6.600 -16.170 1.922 1.00 0.00 C ATOM 1244 O VAL A 84 5.645 -16.327 1.163 1.00 0.00 O ATOM 1245 CB VAL A 84 8.170 -14.714 0.641 1.00 0.00 C ATOM 1246 CG1 VAL A 84 9.630 -14.448 0.307 1.00 0.00 C ATOM 1247 CG2 VAL A 84 7.315 -14.700 -0.618 1.00 0.00 C ATOM 0 H VAL A 84 7.607 -17.418 -0.162 1.00 0.00 H new ATOM 0 HA VAL A 84 8.727 -16.088 2.208 1.00 0.00 H new ATOM 0 HB VAL A 84 7.822 -13.917 1.298 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.716 -13.495 -0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.213 -14.412 1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.008 -15.246 -0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.433 -13.744 -1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.631 -15.506 -1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.268 -14.841 -0.349 1.00 0.00 H new ATOM 1257 N ASN A 85 6.469 -16.089 3.242 1.00 0.00 N ATOM 1258 CA ASN A 85 5.165 -16.183 3.888 1.00 0.00 C ATOM 1259 C ASN A 85 4.605 -14.795 4.187 1.00 0.00 C ATOM 1260 O ASN A 85 3.395 -14.580 4.137 1.00 0.00 O ATOM 1261 CB ASN A 85 5.270 -16.992 5.182 1.00 0.00 C ATOM 1262 CG ASN A 85 6.247 -16.381 6.168 1.00 0.00 C ATOM 1263 OD1 ASN A 85 7.531 -16.662 5.980 1.00 0.00 O flip ATOM 1264 ND2 ASN A 85 5.851 -15.665 7.088 1.00 0.00 N flip ATOM 0 H ASN A 85 7.250 -15.958 3.885 1.00 0.00 H new ATOM 0 HA ASN A 85 4.485 -16.691 3.204 1.00 0.00 H new ATOM 0 HB2 ASN A 85 4.286 -17.061 5.645 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.583 -18.009 4.947 1.00 0.00 H new ATOM 0 HD21 ASN A 85 4.854 -15.476 7.194 1.00 0.00 H new ATOM 0 HD22 ASN A 85 6.520 -15.261 7.744 1.00 0.00 H new ATOM 1271 N GLN A 86 5.496 -13.858 4.496 1.00 0.00 N ATOM 1272 CA GLN A 86 5.091 -12.491 4.803 1.00 0.00 C ATOM 1273 C GLN A 86 6.255 -11.524 4.619 1.00 0.00 C ATOM 1274 O GLN A 86 7.288 -11.646 5.278 1.00 0.00 O ATOM 1275 CB GLN A 86 4.561 -12.403 6.236 1.00 0.00 C ATOM 1276 CG GLN A 86 4.280 -10.982 6.694 1.00 0.00 C ATOM 1277 CD GLN A 86 3.897 -10.905 8.159 1.00 0.00 C ATOM 1278 OE1 GLN A 86 4.746 -11.036 9.042 1.00 0.00 O ATOM 1279 NE2 GLN A 86 2.614 -10.694 8.426 1.00 0.00 N ATOM 0 H GLN A 86 6.502 -14.020 4.540 1.00 0.00 H new ATOM 0 HA GLN A 86 4.297 -12.210 4.111 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.645 -12.988 6.312 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.286 -12.857 6.911 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.163 -10.367 6.521 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.476 -10.562 6.090 1.00 0.00 H new ATOM 0 HE21 GLN A 86 1.945 -10.591 7.663 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.298 -10.635 9.394 1.00 0.00 H new ATOM 1288 N LEU A 87 6.082 -10.563 3.718 1.00 0.00 N ATOM 1289 CA LEU A 87 7.119 -9.574 3.446 1.00 0.00 C ATOM 1290 C LEU A 87 7.113 -8.474 4.503 1.00 0.00 C ATOM 1291 O LEU A 87 6.232 -8.429 5.361 1.00 0.00 O ATOM 1292 CB LEU A 87 6.918 -8.963 2.058 1.00 0.00 C ATOM 1293 CG LEU A 87 7.662 -9.646 0.910 1.00 0.00 C ATOM 1294 CD1 LEU A 87 6.841 -10.797 0.351 1.00 0.00 C ATOM 1295 CD2 LEU A 87 7.991 -8.642 -0.185 1.00 0.00 C ATOM 0 H LEU A 87 5.234 -10.448 3.164 1.00 0.00 H new ATOM 0 HA LEU A 87 8.085 -10.079 3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.852 -8.972 1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.227 -7.918 2.094 1.00 0.00 H new ATOM 0 HG LEU A 87 8.597 -10.049 1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.387 -11.271 -0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.657 -11.529 1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.889 -10.418 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.520 -9.146 -0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.068 -8.208 -0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.621 -7.851 0.223 1.00 0.00 H new ATOM 1307 N ARG A 88 8.102 -7.588 4.434 1.00 0.00 N ATOM 1308 CA ARG A 88 8.210 -6.488 5.384 1.00 0.00 C ATOM 1309 C ARG A 88 9.326 -5.529 4.980 1.00 0.00 C ATOM 1310 O ARG A 88 10.509 -5.848 5.105 1.00 0.00 O ATOM 1311 CB ARG A 88 8.471 -7.026 6.792 1.00 0.00 C ATOM 1312 CG ARG A 88 7.863 -6.172 7.893 1.00 0.00 C ATOM 1313 CD ARG A 88 8.534 -4.809 7.974 1.00 0.00 C ATOM 1314 NE ARG A 88 9.794 -4.863 8.710 1.00 0.00 N ATOM 1315 CZ ARG A 88 9.874 -4.827 10.035 1.00 0.00 C ATOM 1316 NH1 ARG A 88 8.772 -4.739 10.767 1.00 0.00 N ATOM 1317 NH2 ARG A 88 11.058 -4.880 10.631 1.00 0.00 N ATOM 0 H ARG A 88 8.840 -7.611 3.730 1.00 0.00 H new ATOM 0 HA ARG A 88 7.266 -5.943 5.380 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.071 -8.037 6.865 1.00 0.00 H new ATOM 0 HB3 ARG A 88 9.547 -7.097 6.951 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.796 -6.044 7.709 1.00 0.00 H new ATOM 0 HG3 ARG A 88 7.962 -6.685 8.850 1.00 0.00 H new ATOM 0 HD2 ARG A 88 8.718 -4.435 6.967 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.861 -4.102 8.459 1.00 0.00 H new ATOM 0 HE ARG A 88 10.661 -4.932 8.177 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.860 -4.699 10.313 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.837 -4.712 11.785 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.908 -4.948 10.071 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.118 -4.852 11.649 1.00 0.00 H new ATOM 1331 N PHE A 89 8.941 -4.353 4.495 1.00 0.00 N ATOM 1332 CA PHE A 89 9.909 -3.347 4.071 1.00 0.00 C ATOM 1333 C PHE A 89 9.406 -1.942 4.388 1.00 0.00 C ATOM 1334 O PHE A 89 8.304 -1.766 4.907 1.00 0.00 O ATOM 1335 CB PHE A 89 10.187 -3.476 2.572 1.00 0.00 C ATOM 1336 CG PHE A 89 8.948 -3.418 1.726 1.00 0.00 C ATOM 1337 CD1 PHE A 89 8.457 -2.204 1.274 1.00 0.00 C ATOM 1338 CD2 PHE A 89 8.273 -4.579 1.381 1.00 0.00 C ATOM 1339 CE1 PHE A 89 7.317 -2.147 0.494 1.00 0.00 C ATOM 1340 CE2 PHE A 89 7.133 -4.528 0.602 1.00 0.00 C ATOM 1341 CZ PHE A 89 6.654 -3.311 0.159 1.00 0.00 C ATOM 0 H PHE A 89 7.966 -4.073 4.386 1.00 0.00 H new ATOM 0 HA PHE A 89 10.835 -3.515 4.620 1.00 0.00 H new ATOM 0 HB2 PHE A 89 10.864 -2.678 2.266 1.00 0.00 H new ATOM 0 HB3 PHE A 89 10.701 -4.419 2.386 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.971 -1.291 1.534 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.642 -5.534 1.725 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.946 -1.194 0.147 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.617 -5.440 0.340 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.762 -3.270 -0.449 1.00 0.00 H new ATOM 1351 N THR A 90 10.223 -0.942 4.071 1.00 0.00 N ATOM 1352 CA THR A 90 9.864 0.448 4.322 1.00 0.00 C ATOM 1353 C THR A 90 9.983 1.284 3.053 1.00 0.00 C ATOM 1354 O THR A 90 10.765 0.965 2.158 1.00 0.00 O ATOM 1355 CB THR A 90 10.751 1.068 5.417 1.00 0.00 C ATOM 1356 OG1 THR A 90 10.936 0.134 6.486 1.00 0.00 O ATOM 1357 CG2 THR A 90 10.130 2.348 5.957 1.00 0.00 C ATOM 0 H THR A 90 11.138 -1.069 3.640 1.00 0.00 H new ATOM 0 HA THR A 90 8.828 0.451 4.660 1.00 0.00 H new ATOM 0 HB THR A 90 11.718 1.310 4.976 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.503 0.536 7.177 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.775 2.768 6.729 1.00 0.00 H new ATOM 0 HG22 THR A 90 10.018 3.068 5.147 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.151 2.126 6.383 1.00 0.00 H new ATOM 1365 N VAL A 91 9.202 2.358 2.982 1.00 0.00 N ATOM 1366 CA VAL A 91 9.221 3.242 1.823 1.00 0.00 C ATOM 1367 C VAL A 91 9.472 4.687 2.238 1.00 0.00 C ATOM 1368 O VAL A 91 8.879 5.180 3.197 1.00 0.00 O ATOM 1369 CB VAL A 91 7.898 3.167 1.038 1.00 0.00 C ATOM 1370 CG1 VAL A 91 7.735 1.799 0.395 1.00 0.00 C ATOM 1371 CG2 VAL A 91 6.721 3.481 1.948 1.00 0.00 C ATOM 0 H VAL A 91 8.548 2.636 3.714 1.00 0.00 H new ATOM 0 HA VAL A 91 10.035 2.905 1.181 1.00 0.00 H new ATOM 0 HB VAL A 91 7.924 3.914 0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.795 1.765 -0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.563 1.618 -0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.730 1.031 1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.794 3.424 1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.690 2.759 2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.834 4.485 2.356 1.00 0.00 H new ATOM 1381 N MET A 92 10.355 5.362 1.509 1.00 0.00 N ATOM 1382 CA MET A 92 10.683 6.752 1.801 1.00 0.00 C ATOM 1383 C MET A 92 9.960 7.694 0.844 1.00 0.00 C ATOM 1384 O MET A 92 9.522 7.286 -0.231 1.00 0.00 O ATOM 1385 CB MET A 92 12.194 6.973 1.706 1.00 0.00 C ATOM 1386 CG MET A 92 12.927 6.728 3.016 1.00 0.00 C ATOM 1387 SD MET A 92 14.533 7.546 3.076 1.00 0.00 S ATOM 1388 CE MET A 92 15.241 7.017 1.518 1.00 0.00 C ATOM 0 H MET A 92 10.856 4.969 0.712 1.00 0.00 H new ATOM 0 HA MET A 92 10.354 6.971 2.817 1.00 0.00 H new ATOM 0 HB2 MET A 92 12.602 6.312 0.941 1.00 0.00 H new ATOM 0 HB3 MET A 92 12.384 7.995 1.378 1.00 0.00 H new ATOM 0 HG2 MET A 92 12.312 7.082 3.844 1.00 0.00 H new ATOM 0 HG3 MET A 92 13.064 5.656 3.156 1.00 0.00 H new ATOM 0 HE1 MET A 92 16.281 7.338 1.463 1.00 0.00 H new ATOM 0 HE2 MET A 92 15.192 5.930 1.447 1.00 0.00 H new ATOM 0 HE3 MET A 92 14.681 7.460 0.695 1.00 0.00 H new ATOM 1398 N ALA A 93 9.838 8.956 1.242 1.00 0.00 N ATOM 1399 CA ALA A 93 9.169 9.956 0.418 1.00 0.00 C ATOM 1400 C ALA A 93 9.956 11.262 0.392 1.00 0.00 C ATOM 1401 O ALA A 93 9.980 12.003 1.375 1.00 0.00 O ATOM 1402 CB ALA A 93 7.756 10.200 0.927 1.00 0.00 C ATOM 0 H ALA A 93 10.194 9.310 2.130 1.00 0.00 H new ATOM 0 HA ALA A 93 9.116 9.574 -0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.269 10.949 0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.189 9.270 0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.797 10.557 1.956 1.00 0.00 H new ATOM 1408 N ARG A 94 10.600 11.537 -0.737 1.00 0.00 N ATOM 1409 CA ARG A 94 11.390 12.753 -0.890 1.00 0.00 C ATOM 1410 C ARG A 94 10.512 13.920 -1.333 1.00 0.00 C ATOM 1411 O ARG A 94 9.710 13.790 -2.258 1.00 0.00 O ATOM 1412 CB ARG A 94 12.514 12.532 -1.905 1.00 0.00 C ATOM 1413 CG ARG A 94 13.389 11.330 -1.592 1.00 0.00 C ATOM 1414 CD ARG A 94 14.660 11.335 -2.427 1.00 0.00 C ATOM 1415 NE ARG A 94 14.389 11.085 -3.840 1.00 0.00 N ATOM 1416 CZ ARG A 94 15.242 11.377 -4.815 1.00 0.00 C ATOM 1417 NH1 ARG A 94 16.415 11.926 -4.532 1.00 0.00 N ATOM 1418 NH2 ARG A 94 14.922 11.119 -6.077 1.00 0.00 N ATOM 0 H ARG A 94 10.590 10.934 -1.560 1.00 0.00 H new ATOM 0 HA ARG A 94 11.827 12.997 0.078 1.00 0.00 H new ATOM 0 HB2 ARG A 94 12.078 12.405 -2.896 1.00 0.00 H new ATOM 0 HB3 ARG A 94 13.138 13.425 -1.944 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.648 11.333 -0.533 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.831 10.413 -1.782 1.00 0.00 H new ATOM 0 HD2 ARG A 94 15.161 12.297 -2.319 1.00 0.00 H new ATOM 0 HD3 ARG A 94 15.344 10.575 -2.049 1.00 0.00 H new ATOM 0 HE ARG A 94 13.495 10.663 -4.092 1.00 0.00 H new ATOM 0 HH11 ARG A 94 16.664 12.125 -3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 94 17.068 12.149 -5.283 1.00 0.00 H new ATOM 0 HH21 ARG A 94 14.021 10.696 -6.298 1.00 0.00 H new ATOM 0 HH22 ARG A 94 15.578 11.344 -6.825 1.00 0.00 H new ATOM 1520 N LYS A 101 12.932 16.426 3.153 1.00 0.00 N ATOM 1521 CA LYS A 101 12.389 15.596 4.222 1.00 0.00 C ATOM 1522 C LYS A 101 11.937 14.242 3.684 1.00 0.00 C ATOM 1523 O LYS A 101 11.186 14.168 2.711 1.00 0.00 O ATOM 1524 CB LYS A 101 11.215 16.306 4.899 1.00 0.00 C ATOM 1525 CG LYS A 101 11.633 17.475 5.774 1.00 0.00 C ATOM 1526 CD LYS A 101 12.285 17.003 7.062 1.00 0.00 C ATOM 1527 CE LYS A 101 12.732 18.175 7.923 1.00 0.00 C ATOM 1528 NZ LYS A 101 13.495 17.724 9.120 1.00 0.00 N ATOM 0 HA LYS A 101 13.178 15.430 4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.527 16.664 4.133 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.668 15.586 5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.328 18.111 5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.761 18.085 6.009 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.582 16.386 7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.144 16.374 6.827 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.352 18.847 7.329 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.859 18.745 8.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.782 18.551 9.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.895 17.103 9.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.341 17.202 8.816 1.00 0.00 H new ATOM 1542 N THR A 102 12.398 13.172 4.325 1.00 0.00 N ATOM 1543 CA THR A 102 12.041 11.821 3.911 1.00 0.00 C ATOM 1544 C THR A 102 11.254 11.102 5.000 1.00 0.00 C ATOM 1545 O THR A 102 11.722 10.967 6.131 1.00 0.00 O ATOM 1546 CB THR A 102 13.292 10.991 3.564 1.00 0.00 C ATOM 1547 OG1 THR A 102 14.215 11.017 4.658 1.00 0.00 O ATOM 1548 CG2 THR A 102 13.967 11.527 2.311 1.00 0.00 C ATOM 0 H THR A 102 13.019 13.215 5.133 1.00 0.00 H new ATOM 0 HA THR A 102 11.419 11.917 3.021 1.00 0.00 H new ATOM 0 HB THR A 102 12.979 9.964 3.377 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.720 11.044 5.503 1.00 0.00 H new ATOM 0 HG21 THR A 102 14.847 10.925 2.086 1.00 0.00 H new ATOM 0 HG22 THR A 102 13.271 11.479 1.474 1.00 0.00 H new ATOM 0 HG23 THR A 102 14.267 12.562 2.474 1.00 0.00 H new ATOM 1556 N ASP A 103 10.057 10.643 4.653 1.00 0.00 N ATOM 1557 CA ASP A 103 9.205 9.936 5.602 1.00 0.00 C ATOM 1558 C ASP A 103 9.176 8.441 5.297 1.00 0.00 C ATOM 1559 O ASP A 103 8.912 8.032 4.167 1.00 0.00 O ATOM 1560 CB ASP A 103 7.785 10.503 5.567 1.00 0.00 C ATOM 1561 CG ASP A 103 7.616 11.697 6.486 1.00 0.00 C ATOM 1562 OD1 ASP A 103 8.444 12.628 6.407 1.00 0.00 O ATOM 1563 OD2 ASP A 103 6.656 11.700 7.285 1.00 0.00 O ATOM 0 H ASP A 103 9.655 10.748 3.722 1.00 0.00 H new ATOM 0 HA ASP A 103 9.620 10.078 6.600 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.539 10.796 4.546 1.00 0.00 H new ATOM 0 HB3 ASP A 103 7.079 9.724 5.854 1.00 0.00 H new ATOM 1568 N LYS A 104 9.450 7.630 6.313 1.00 0.00 N ATOM 1569 CA LYS A 104 9.456 6.180 6.156 1.00 0.00 C ATOM 1570 C LYS A 104 8.095 5.589 6.509 1.00 0.00 C ATOM 1571 O LYS A 104 7.392 6.103 7.379 1.00 0.00 O ATOM 1572 CB LYS A 104 10.540 5.555 7.037 1.00 0.00 C ATOM 1573 CG LYS A 104 11.948 5.762 6.508 1.00 0.00 C ATOM 1574 CD LYS A 104 12.990 5.532 7.590 1.00 0.00 C ATOM 1575 CE LYS A 104 14.399 5.758 7.065 1.00 0.00 C ATOM 1576 NZ LYS A 104 15.410 5.732 8.158 1.00 0.00 N ATOM 0 H LYS A 104 9.671 7.952 7.255 1.00 0.00 H new ATOM 0 HA LYS A 104 9.671 5.954 5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.471 5.979 8.039 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.349 4.486 7.130 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.129 5.081 5.677 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.046 6.775 6.117 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.801 6.204 8.427 1.00 0.00 H new ATOM 0 HD3 LYS A 104 12.902 4.515 7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.640 4.990 6.330 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.445 6.718 6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.357 5.890 7.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.196 6.481 8.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.384 4.807 8.633 1.00 0.00 H new ATOM 1590 N ALA A 105 7.731 4.507 5.830 1.00 0.00 N ATOM 1591 CA ALA A 105 6.456 3.844 6.075 1.00 0.00 C ATOM 1592 C ALA A 105 6.584 2.333 5.921 1.00 0.00 C ATOM 1593 O ALA A 105 6.962 1.835 4.859 1.00 0.00 O ATOM 1594 CB ALA A 105 5.391 4.384 5.132 1.00 0.00 C ATOM 0 H ALA A 105 8.301 4.070 5.106 1.00 0.00 H new ATOM 0 HA ALA A 105 6.157 4.054 7.102 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.444 3.880 5.326 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.272 5.455 5.293 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.693 4.204 4.100 1.00 0.00 H new ATOM 1600 N THR A 106 6.268 1.605 6.987 1.00 0.00 N ATOM 1601 CA THR A 106 6.349 0.150 6.971 1.00 0.00 C ATOM 1602 C THR A 106 5.242 -0.454 6.115 1.00 0.00 C ATOM 1603 O THR A 106 4.058 -0.304 6.418 1.00 0.00 O ATOM 1604 CB THR A 106 6.259 -0.434 8.394 1.00 0.00 C ATOM 1605 OG1 THR A 106 7.323 0.080 9.203 1.00 0.00 O ATOM 1606 CG2 THR A 106 6.328 -1.953 8.361 1.00 0.00 C ATOM 0 H THR A 106 5.953 2.000 7.873 1.00 0.00 H new ATOM 0 HA THR A 106 7.317 -0.107 6.541 1.00 0.00 H new ATOM 0 HB THR A 106 5.302 -0.139 8.824 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.258 -0.295 10.106 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.263 -2.342 9.377 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.499 -2.342 7.769 1.00 0.00 H new ATOM 0 HG23 THR A 106 7.272 -2.265 7.913 1.00 0.00 H new ATOM 1614 N VAL A 107 5.633 -1.138 5.045 1.00 0.00 N ATOM 1615 CA VAL A 107 4.673 -1.766 4.146 1.00 0.00 C ATOM 1616 C VAL A 107 4.603 -3.271 4.381 1.00 0.00 C ATOM 1617 O VAL A 107 5.433 -4.028 3.878 1.00 0.00 O ATOM 1618 CB VAL A 107 5.031 -1.505 2.671 1.00 0.00 C ATOM 1619 CG1 VAL A 107 4.028 -2.183 1.749 1.00 0.00 C ATOM 1620 CG2 VAL A 107 5.094 -0.010 2.395 1.00 0.00 C ATOM 0 H VAL A 107 6.609 -1.271 4.780 1.00 0.00 H new ATOM 0 HA VAL A 107 3.701 -1.321 4.361 1.00 0.00 H new ATOM 0 HB VAL A 107 6.015 -1.930 2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.298 -1.987 0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 107 4.037 -3.258 1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.030 -1.790 1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.348 0.156 1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.125 0.441 2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.854 0.445 3.030 1.00 0.00 H new ATOM 1630 N VAL A 108 3.605 -3.698 5.149 1.00 0.00 N ATOM 1631 CA VAL A 108 3.425 -5.113 5.450 1.00 0.00 C ATOM 1632 C VAL A 108 2.477 -5.771 4.453 1.00 0.00 C ATOM 1633 O VAL A 108 1.262 -5.578 4.515 1.00 0.00 O ATOM 1634 CB VAL A 108 2.877 -5.318 6.875 1.00 0.00 C ATOM 1635 CG1 VAL A 108 2.712 -6.800 7.176 1.00 0.00 C ATOM 1636 CG2 VAL A 108 3.789 -4.656 7.897 1.00 0.00 C ATOM 0 H VAL A 108 2.910 -3.084 5.574 1.00 0.00 H new ATOM 0 HA VAL A 108 4.407 -5.580 5.375 1.00 0.00 H new ATOM 0 HB VAL A 108 1.896 -4.848 6.939 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.324 -6.925 8.187 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.015 -7.241 6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.678 -7.298 7.094 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.387 -4.811 8.898 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.785 -5.095 7.834 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.850 -3.587 7.692 1.00 0.00 H new ATOM 1646 N LEU A 109 3.039 -6.549 3.536 1.00 0.00 N ATOM 1647 CA LEU A 109 2.244 -7.238 2.525 1.00 0.00 C ATOM 1648 C LEU A 109 1.999 -8.690 2.920 1.00 0.00 C ATOM 1649 O LEU A 109 2.914 -9.512 2.901 1.00 0.00 O ATOM 1650 CB LEU A 109 2.948 -7.179 1.168 1.00 0.00 C ATOM 1651 CG LEU A 109 3.261 -5.780 0.634 1.00 0.00 C ATOM 1652 CD1 LEU A 109 4.131 -5.866 -0.611 1.00 0.00 C ATOM 1653 CD2 LEU A 109 1.976 -5.022 0.338 1.00 0.00 C ATOM 0 H LEU A 109 4.043 -6.719 3.471 1.00 0.00 H new ATOM 0 HA LEU A 109 1.280 -6.734 2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.882 -7.735 1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.327 -7.695 0.436 1.00 0.00 H new ATOM 0 HG LEU A 109 3.812 -5.235 1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.343 -4.861 -0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.067 -6.369 -0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.607 -6.430 -1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.218 -4.029 -0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.398 -5.565 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.390 -4.928 1.252 1.00 0.00 H new ATOM 1665 N ASN A 110 0.757 -8.999 3.277 1.00 0.00 N ATOM 1666 CA ASN A 110 0.390 -10.353 3.676 1.00 0.00 C ATOM 1667 C ASN A 110 0.277 -11.267 2.459 1.00 0.00 C ATOM 1668 O ASN A 110 -0.545 -11.035 1.571 1.00 0.00 O ATOM 1669 CB ASN A 110 -0.933 -10.341 4.443 1.00 0.00 C ATOM 1670 CG ASN A 110 -0.757 -9.931 5.893 1.00 0.00 C ATOM 1671 OD1 ASN A 110 -0.579 -10.776 6.771 1.00 0.00 O ATOM 1672 ND2 ASN A 110 -0.807 -8.630 6.150 1.00 0.00 N ATOM 0 H ASN A 110 -0.013 -8.330 3.298 1.00 0.00 H new ATOM 0 HA ASN A 110 1.175 -10.738 4.326 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.626 -9.655 3.956 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.383 -11.333 4.401 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -0.696 -8.295 7.107 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -0.957 -7.966 5.391 1.00 0.00 H new ATOM 1679 N ILE A 111 1.106 -12.304 2.425 1.00 0.00 N ATOM 1680 CA ILE A 111 1.098 -13.253 1.319 1.00 0.00 C ATOM 1681 C ILE A 111 -0.002 -14.294 1.496 1.00 0.00 C ATOM 1682 O ILE A 111 0.192 -15.312 2.160 1.00 0.00 O ATOM 1683 CB ILE A 111 2.453 -13.972 1.184 1.00 0.00 C ATOM 1684 CG1 ILE A 111 3.582 -12.952 1.021 1.00 0.00 C ATOM 1685 CG2 ILE A 111 2.427 -14.934 0.005 1.00 0.00 C ATOM 1686 CD1 ILE A 111 3.504 -12.165 -0.268 1.00 0.00 C ATOM 0 H ILE A 111 1.792 -12.509 3.151 1.00 0.00 H new ATOM 0 HA ILE A 111 0.909 -12.679 0.412 1.00 0.00 H new ATOM 0 HB ILE A 111 2.635 -14.546 2.093 1.00 0.00 H new ATOM 0 HG12 ILE A 111 3.559 -12.259 1.862 1.00 0.00 H new ATOM 0 HG13 ILE A 111 4.539 -13.472 1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 111 3.392 -15.435 -0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 111 1.645 -15.677 0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 111 2.226 -14.380 -0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 111 4.335 -11.462 -0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 111 3.558 -12.848 -1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 111 2.562 -11.617 -0.303 1.00 0.00 H new ATOM 1698 N LYS A 112 -1.158 -14.033 0.896 1.00 0.00 N ATOM 1699 CA LYS A 112 -2.290 -14.948 0.984 1.00 0.00 C ATOM 1700 C LYS A 112 -2.024 -16.220 0.185 1.00 0.00 C ATOM 1701 O LYS A 112 -1.109 -16.269 -0.636 1.00 0.00 O ATOM 1702 CB LYS A 112 -3.563 -14.269 0.472 1.00 0.00 C ATOM 1703 CG LYS A 112 -3.977 -13.059 1.291 1.00 0.00 C ATOM 1704 CD LYS A 112 -4.917 -13.445 2.420 1.00 0.00 C ATOM 1705 CE LYS A 112 -6.295 -13.822 1.895 1.00 0.00 C ATOM 1706 NZ LYS A 112 -7.247 -14.118 3.001 1.00 0.00 N ATOM 0 H LYS A 112 -1.336 -13.195 0.343 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.426 -15.218 2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.410 -13.962 -0.563 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.377 -14.994 0.473 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.091 -12.577 1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.464 -12.330 0.644 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -4.496 -14.284 2.975 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -5.008 -12.614 3.119 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.687 -13.007 1.286 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.210 -14.693 1.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.174 -14.371 2.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.885 -14.912 3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.347 -13.278 3.607 1.00 0.00 H new ATOM 1720 N ASP A 113 -2.830 -17.247 0.432 1.00 0.00 N ATOM 1721 CA ASP A 113 -2.683 -18.519 -0.266 1.00 0.00 C ATOM 1722 C ASP A 113 -3.907 -18.810 -1.129 1.00 0.00 C ATOM 1723 O ASP A 113 -4.962 -19.186 -0.620 1.00 0.00 O ATOM 1724 CB ASP A 113 -2.471 -19.654 0.737 1.00 0.00 C ATOM 1725 CG ASP A 113 -3.709 -19.934 1.566 1.00 0.00 C ATOM 1726 OD1 ASP A 113 -3.886 -19.272 2.609 1.00 0.00 O ATOM 1727 OD2 ASP A 113 -4.500 -20.816 1.171 1.00 0.00 O ATOM 0 H ASP A 113 -3.592 -17.224 1.110 1.00 0.00 H new ATOM 0 HA ASP A 113 -1.810 -18.450 -0.915 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.184 -20.559 0.202 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.644 -19.399 1.400 1.00 0.00 H new