USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 668 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 59 LYS NZ :NH3+ -120:sc= 0.201 (180deg=0) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.191 USER MOD Set 2.1: A 43 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 64 MET CE :methyl -147:sc= -0.0402 (180deg=-1.91!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -71:sc= 0.625 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 177:sc= 1.11 (180deg=1.1) USER MOD Single : A 61 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.735 K(o=0.74,f=-1.6!) USER MOD Single : A 78 MET CE :methyl 177:sc= -0.139 (180deg=-0.147) USER MOD Single : A 80 GLN : amide:sc= 0.663 K(o=0.66,f=-7.3!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0507 X(o=-0.051,f=-0.051) USER MOD Single : A 86 HIS : no HD1:sc= -0.053 X(o=-0.053,f=-0.12) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 154:sc= 1.13 (180deg=0.657) USER MOD ----------------------------------------------------------------- ATOM 174 N LEU A 14 -11.885 11.141 7.374 1.00 0.00 N ATOM 175 CA LEU A 14 -10.773 12.061 7.619 1.00 0.00 C ATOM 176 C LEU A 14 -10.264 12.706 6.315 1.00 0.00 C ATOM 177 O LEU A 14 -9.377 13.561 6.357 1.00 0.00 O ATOM 178 CB LEU A 14 -9.654 11.287 8.344 1.00 0.00 C ATOM 179 CG LEU A 14 -10.128 10.540 9.618 1.00 0.00 C ATOM 180 CD1 LEU A 14 -9.958 9.023 9.448 1.00 0.00 C ATOM 181 CD2 LEU A 14 -9.359 11.019 10.856 1.00 0.00 C ATOM 0 HA LEU A 14 -11.116 12.884 8.247 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.219 10.565 7.653 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.862 11.984 8.617 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.185 10.763 9.762 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.296 8.516 10.352 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.550 8.683 8.598 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.907 8.792 9.273 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.711 10.479 11.735 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.294 10.832 10.718 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.524 12.087 10.996 1.00 0.00 H new ATOM 193 N LEU A 15 -10.810 12.293 5.161 1.00 0.00 N ATOM 194 CA LEU A 15 -10.403 12.750 3.827 1.00 0.00 C ATOM 195 C LEU A 15 -11.195 13.984 3.358 1.00 0.00 C ATOM 196 O LEU A 15 -12.025 14.548 4.072 1.00 0.00 O ATOM 197 CB LEU A 15 -10.526 11.600 2.803 1.00 0.00 C ATOM 198 CG LEU A 15 -9.895 10.248 3.200 1.00 0.00 C ATOM 199 CD1 LEU A 15 -10.038 9.267 2.027 1.00 0.00 C ATOM 200 CD2 LEU A 15 -8.415 10.380 3.588 1.00 0.00 C ATOM 0 H LEU A 15 -11.569 11.612 5.131 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.359 13.055 3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.585 11.435 2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.071 11.927 1.868 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.423 9.879 4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.595 8.309 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.094 9.126 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.527 9.669 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.021 9.400 3.858 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.852 10.778 2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.321 11.056 4.438 1.00 0.00 H new ATOM 212 N SER A 16 -10.940 14.378 2.116 1.00 0.00 N ATOM 213 CA SER A 16 -11.533 15.514 1.425 1.00 0.00 C ATOM 214 C SER A 16 -12.633 15.078 0.438 1.00 0.00 C ATOM 215 O SER A 16 -12.612 13.941 -0.052 1.00 0.00 O ATOM 216 CB SER A 16 -10.398 16.210 0.667 1.00 0.00 C ATOM 217 OG SER A 16 -9.624 17.030 1.533 1.00 0.00 O ATOM 0 H SER A 16 -10.271 13.880 1.528 1.00 0.00 H new ATOM 0 HA SER A 16 -12.007 16.179 2.147 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.756 15.462 0.202 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.814 16.817 -0.137 1.00 0.00 H new ATOM 0 HG SER A 16 -8.907 17.460 1.022 1.00 0.00 H new ATOM 223 N PRO A 17 -13.555 15.988 0.067 1.00 0.00 N ATOM 224 CA PRO A 17 -14.647 15.709 -0.866 1.00 0.00 C ATOM 225 C PRO A 17 -14.157 15.290 -2.258 1.00 0.00 C ATOM 226 O PRO A 17 -14.857 14.557 -2.950 1.00 0.00 O ATOM 227 CB PRO A 17 -15.479 16.998 -0.913 1.00 0.00 C ATOM 228 CG PRO A 17 -14.470 18.089 -0.551 1.00 0.00 C ATOM 229 CD PRO A 17 -13.564 17.390 0.454 1.00 0.00 C ATOM 0 HA PRO A 17 -15.236 14.857 -0.528 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -15.910 17.162 -1.901 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -16.307 16.967 -0.205 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.916 18.433 -1.424 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.957 18.963 -0.118 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -12.558 17.809 0.432 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -13.938 17.513 1.470 1.00 0.00 H new ATOM 237 N GLU A 18 -12.942 15.694 -2.645 1.00 0.00 N ATOM 238 CA GLU A 18 -12.309 15.325 -3.918 1.00 0.00 C ATOM 239 C GLU A 18 -11.540 13.989 -3.871 1.00 0.00 C ATOM 240 O GLU A 18 -11.174 13.462 -4.921 1.00 0.00 O ATOM 241 CB GLU A 18 -11.425 16.481 -4.421 1.00 0.00 C ATOM 242 CG GLU A 18 -10.249 16.826 -3.495 1.00 0.00 C ATOM 243 CD GLU A 18 -9.422 17.983 -4.074 1.00 0.00 C ATOM 244 OE1 GLU A 18 -8.474 17.729 -4.856 1.00 0.00 O ATOM 245 OE2 GLU A 18 -9.710 19.160 -3.747 1.00 0.00 O ATOM 0 H GLU A 18 -12.358 16.300 -2.070 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.114 15.155 -4.633 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.034 16.222 -5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.045 17.368 -4.548 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.624 17.099 -2.509 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.615 15.950 -3.363 1.00 0.00 H new ATOM 252 N GLU A 19 -11.313 13.415 -2.682 1.00 0.00 N ATOM 253 CA GLU A 19 -10.711 12.090 -2.496 1.00 0.00 C ATOM 254 C GLU A 19 -11.777 10.992 -2.558 1.00 0.00 C ATOM 255 O GLU A 19 -11.653 10.016 -3.296 1.00 0.00 O ATOM 256 CB GLU A 19 -10.035 12.008 -1.118 1.00 0.00 C ATOM 257 CG GLU A 19 -8.689 12.721 -1.040 1.00 0.00 C ATOM 258 CD GLU A 19 -7.605 12.034 -1.887 1.00 0.00 C ATOM 259 OE1 GLU A 19 -7.161 10.921 -1.521 1.00 0.00 O ATOM 260 OE2 GLU A 19 -7.174 12.614 -2.913 1.00 0.00 O ATOM 0 H GLU A 19 -11.549 13.872 -1.801 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.982 11.945 -3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.704 12.436 -0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.894 10.959 -0.856 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.808 13.751 -1.375 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.362 12.760 -0.001 1.00 0.00 H new ATOM 267 N LEU A 20 -12.836 11.174 -1.771 1.00 0.00 N ATOM 268 CA LEU A 20 -13.943 10.229 -1.601 1.00 0.00 C ATOM 269 C LEU A 20 -14.664 10.003 -2.927 1.00 0.00 C ATOM 270 O LEU A 20 -14.823 8.867 -3.370 1.00 0.00 O ATOM 271 CB LEU A 20 -14.917 10.809 -0.566 1.00 0.00 C ATOM 272 CG LEU A 20 -14.274 11.102 0.804 1.00 0.00 C ATOM 273 CD1 LEU A 20 -15.068 12.231 1.460 1.00 0.00 C ATOM 274 CD2 LEU A 20 -14.210 9.839 1.671 1.00 0.00 C ATOM 0 H LEU A 20 -12.953 12.018 -1.210 1.00 0.00 H new ATOM 0 HA LEU A 20 -13.557 9.268 -1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.344 11.731 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.742 10.110 -0.427 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.239 11.420 0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.636 12.462 2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.030 13.118 0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.105 11.920 1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.751 10.079 2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.218 9.459 1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.615 9.080 1.164 1.00 0.00 H new ATOM 286 N LYS A 21 -15.039 11.097 -3.598 1.00 0.00 N ATOM 287 CA LYS A 21 -15.641 11.039 -4.939 1.00 0.00 C ATOM 288 C LYS A 21 -14.711 10.391 -5.985 1.00 0.00 C ATOM 289 O LYS A 21 -15.193 9.657 -6.850 1.00 0.00 O ATOM 290 CB LYS A 21 -16.091 12.446 -5.381 1.00 0.00 C ATOM 291 CG LYS A 21 -17.507 12.842 -4.922 1.00 0.00 C ATOM 292 CD LYS A 21 -17.796 12.638 -3.426 1.00 0.00 C ATOM 293 CE LYS A 21 -19.142 13.279 -3.064 1.00 0.00 C ATOM 294 NZ LYS A 21 -19.475 13.100 -1.626 1.00 0.00 N ATOM 0 H LYS A 21 -14.936 12.043 -3.232 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.516 10.393 -4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.381 13.178 -4.996 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.047 12.502 -6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.670 13.892 -5.166 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -18.232 12.265 -5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.815 11.574 -3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.999 13.081 -2.829 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -19.112 14.343 -3.300 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -19.929 12.839 -3.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -20.392 13.548 -1.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -19.529 12.085 -1.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.737 13.542 -1.041 1.00 0.00 H new ATOM 308 N ALA A 22 -13.390 10.587 -5.888 1.00 0.00 N ATOM 309 CA ALA A 22 -12.408 9.973 -6.794 1.00 0.00 C ATOM 310 C ALA A 22 -12.260 8.457 -6.559 1.00 0.00 C ATOM 311 O ALA A 22 -12.226 7.688 -7.521 1.00 0.00 O ATOM 312 CB ALA A 22 -11.069 10.712 -6.657 1.00 0.00 C ATOM 0 H ALA A 22 -12.968 11.180 -5.174 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.766 10.074 -7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.335 10.262 -7.326 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.204 11.761 -6.919 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.716 10.638 -5.628 1.00 0.00 H new ATOM 391 N GLU A 29 -13.280 1.217 -2.145 1.00 0.00 N ATOM 392 CA GLU A 29 -12.409 0.341 -1.351 1.00 0.00 C ATOM 393 C GLU A 29 -10.922 0.662 -1.549 1.00 0.00 C ATOM 394 O GLU A 29 -10.575 1.566 -2.305 1.00 0.00 O ATOM 395 CB GLU A 29 -12.689 -1.126 -1.713 1.00 0.00 C ATOM 396 CG GLU A 29 -13.192 -1.948 -0.518 1.00 0.00 C ATOM 397 CD GLU A 29 -14.518 -1.412 0.050 1.00 0.00 C ATOM 398 OE1 GLU A 29 -15.561 -1.516 -0.635 1.00 0.00 O ATOM 399 OE2 GLU A 29 -14.523 -0.903 1.195 1.00 0.00 O ATOM 0 HA GLU A 29 -12.634 0.514 -0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.430 -1.163 -2.512 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.778 -1.580 -2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.325 -2.985 -0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.436 -1.942 0.267 1.00 0.00 H new ATOM 406 N TYR A 30 -10.045 -0.101 -0.884 1.00 0.00 N ATOM 407 CA TYR A 30 -8.582 0.010 -0.945 1.00 0.00 C ATOM 408 C TYR A 30 -7.872 -1.150 -0.228 1.00 0.00 C ATOM 409 O TYR A 30 -8.398 -1.739 0.720 1.00 0.00 O ATOM 410 CB TYR A 30 -8.104 1.346 -0.355 1.00 0.00 C ATOM 411 CG TYR A 30 -8.319 1.467 1.142 1.00 0.00 C ATOM 412 CD1 TYR A 30 -9.619 1.660 1.649 1.00 0.00 C ATOM 413 CD2 TYR A 30 -7.230 1.324 2.024 1.00 0.00 C ATOM 414 CE1 TYR A 30 -9.828 1.748 3.039 1.00 0.00 C ATOM 415 CE2 TYR A 30 -7.432 1.410 3.416 1.00 0.00 C ATOM 416 CZ TYR A 30 -8.734 1.628 3.927 1.00 0.00 C ATOM 417 OH TYR A 30 -8.940 1.711 5.271 1.00 0.00 O ATOM 0 H TYR A 30 -10.351 -0.847 -0.260 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.317 -0.037 -2.001 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.043 1.469 -0.571 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.627 2.161 -0.855 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.456 1.741 0.971 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -6.239 1.148 1.633 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.823 1.907 3.427 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.595 1.310 4.091 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.086 1.607 5.740 1.00 0.00 H new ATOM 427 N ALA A 31 -6.651 -1.441 -0.672 1.00 0.00 N ATOM 428 CA ALA A 31 -5.751 -2.450 -0.119 1.00 0.00 C ATOM 429 C ALA A 31 -4.291 -2.094 -0.428 1.00 0.00 C ATOM 430 O ALA A 31 -4.005 -1.390 -1.398 1.00 0.00 O ATOM 431 CB ALA A 31 -6.137 -3.819 -0.700 1.00 0.00 C ATOM 0 H ALA A 31 -6.242 -0.954 -1.469 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.846 -2.486 0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.474 -4.585 -0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.167 -4.052 -0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.044 -3.793 -1.786 1.00 0.00 H new ATOM 437 N TRP A 32 -3.368 -2.608 0.385 1.00 0.00 N ATOM 438 CA TRP A 32 -1.925 -2.545 0.137 1.00 0.00 C ATOM 439 C TRP A 32 -1.365 -3.925 -0.235 1.00 0.00 C ATOM 440 O TRP A 32 -1.864 -4.960 0.214 1.00 0.00 O ATOM 441 CB TRP A 32 -1.207 -1.971 1.365 1.00 0.00 C ATOM 442 CG TRP A 32 -1.288 -0.488 1.555 1.00 0.00 C ATOM 443 CD1 TRP A 32 -2.380 0.226 1.917 1.00 0.00 C ATOM 444 CD2 TRP A 32 -0.209 0.487 1.402 1.00 0.00 C ATOM 445 NE1 TRP A 32 -2.045 1.563 2.020 1.00 0.00 N ATOM 446 CE2 TRP A 32 -0.709 1.770 1.771 1.00 0.00 C ATOM 447 CE3 TRP A 32 1.145 0.412 1.005 1.00 0.00 C ATOM 448 CZ2 TRP A 32 0.107 2.909 1.813 1.00 0.00 C ATOM 449 CZ3 TRP A 32 1.958 1.560 1.003 1.00 0.00 C ATOM 450 CH2 TRP A 32 1.443 2.793 1.420 1.00 0.00 C ATOM 0 H TRP A 32 -3.606 -3.090 1.252 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.748 -1.883 -0.711 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.615 -2.451 2.254 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -0.155 -2.250 1.306 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.362 -0.186 2.098 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.707 2.304 2.252 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.560 -0.537 0.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.289 3.858 2.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.985 1.490 0.678 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.084 3.662 1.438 1.00 0.00 H new ATOM 461 N TYR A 33 -0.289 -3.932 -1.022 1.00 0.00 N ATOM 462 CA TYR A 33 0.406 -5.129 -1.511 1.00 0.00 C ATOM 463 C TYR A 33 1.936 -4.963 -1.460 1.00 0.00 C ATOM 464 O TYR A 33 2.452 -3.846 -1.486 1.00 0.00 O ATOM 465 CB TYR A 33 -0.036 -5.432 -2.955 1.00 0.00 C ATOM 466 CG TYR A 33 -1.444 -5.966 -3.144 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.558 -5.104 -3.065 1.00 0.00 C ATOM 468 CD2 TYR A 33 -1.638 -7.325 -3.464 1.00 0.00 C ATOM 469 CE1 TYR A 33 -3.860 -5.601 -3.262 1.00 0.00 C ATOM 470 CE2 TYR A 33 -2.936 -7.827 -3.673 1.00 0.00 C ATOM 471 CZ TYR A 33 -4.054 -6.968 -3.568 1.00 0.00 C ATOM 472 OH TYR A 33 -5.307 -7.459 -3.772 1.00 0.00 O ATOM 0 H TYR A 33 0.142 -3.069 -1.352 1.00 0.00 H new ATOM 0 HA TYR A 33 0.139 -5.960 -0.858 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.061 -4.517 -3.539 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.661 -6.155 -3.378 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.411 -4.056 -2.852 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.787 -7.984 -3.549 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.710 -4.939 -3.180 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.078 -8.870 -3.914 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.254 -8.417 -3.973 1.00 0.00 H new ATOM 482 N TYR A 34 2.668 -6.079 -1.444 1.00 0.00 N ATOM 483 CA TYR A 34 4.137 -6.140 -1.493 1.00 0.00 C ATOM 484 C TYR A 34 4.629 -7.203 -2.488 1.00 0.00 C ATOM 485 O TYR A 34 3.984 -8.238 -2.661 1.00 0.00 O ATOM 486 CB TYR A 34 4.705 -6.399 -0.090 1.00 0.00 C ATOM 487 CG TYR A 34 4.361 -7.750 0.520 1.00 0.00 C ATOM 488 CD1 TYR A 34 3.149 -7.926 1.214 1.00 0.00 C ATOM 489 CD2 TYR A 34 5.262 -8.828 0.400 1.00 0.00 C ATOM 490 CE1 TYR A 34 2.825 -9.175 1.774 1.00 0.00 C ATOM 491 CE2 TYR A 34 4.948 -10.080 0.962 1.00 0.00 C ATOM 492 CZ TYR A 34 3.725 -10.257 1.650 1.00 0.00 C ATOM 493 OH TYR A 34 3.410 -11.467 2.193 1.00 0.00 O ATOM 0 H TYR A 34 2.240 -7.004 -1.395 1.00 0.00 H new ATOM 0 HA TYR A 34 4.501 -5.175 -1.846 1.00 0.00 H new ATOM 0 HB2 TYR A 34 5.790 -6.306 -0.134 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.345 -5.617 0.578 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.464 -7.097 1.317 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.196 -8.693 -0.125 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.890 -9.307 2.298 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.640 -10.904 0.868 1.00 0.00 H new ATOM 0 HH TYR A 34 4.135 -12.103 2.018 1.00 0.00 H new ATOM 503 N GLU A 35 5.770 -6.954 -3.133 1.00 0.00 N ATOM 504 CA GLU A 35 6.443 -7.932 -3.988 1.00 0.00 C ATOM 505 C GLU A 35 7.086 -9.020 -3.123 1.00 0.00 C ATOM 506 O GLU A 35 8.112 -8.801 -2.471 1.00 0.00 O ATOM 507 CB GLU A 35 7.487 -7.252 -4.892 1.00 0.00 C ATOM 508 CG GLU A 35 6.883 -6.804 -6.225 1.00 0.00 C ATOM 509 CD GLU A 35 6.934 -7.920 -7.283 1.00 0.00 C ATOM 510 OE1 GLU A 35 6.151 -8.891 -7.191 1.00 0.00 O ATOM 511 OE2 GLU A 35 7.773 -7.830 -8.213 1.00 0.00 O ATOM 0 H GLU A 35 6.257 -6.060 -3.076 1.00 0.00 H new ATOM 0 HA GLU A 35 5.703 -8.396 -4.640 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.907 -6.389 -4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.309 -7.942 -5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.848 -6.498 -6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.422 -5.931 -6.592 1.00 0.00 H new ATOM 518 N GLY A 36 6.463 -10.197 -3.136 1.00 0.00 N ATOM 519 CA GLY A 36 6.997 -11.433 -2.571 1.00 0.00 C ATOM 520 C GLY A 36 7.706 -12.274 -3.633 1.00 0.00 C ATOM 521 O GLY A 36 7.929 -11.839 -4.766 1.00 0.00 O ATOM 0 H GLY A 36 5.541 -10.320 -3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.695 -11.196 -1.768 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.186 -12.012 -2.128 1.00 0.00 H new ATOM 525 N ARG A 37 8.054 -13.508 -3.261 1.00 0.00 N ATOM 526 CA ARG A 37 8.898 -14.397 -4.071 1.00 0.00 C ATOM 527 C ARG A 37 8.191 -14.990 -5.306 1.00 0.00 C ATOM 528 O ARG A 37 8.851 -15.338 -6.286 1.00 0.00 O ATOM 529 CB ARG A 37 9.457 -15.472 -3.128 1.00 0.00 C ATOM 530 CG ARG A 37 10.680 -16.212 -3.699 1.00 0.00 C ATOM 531 CD ARG A 37 11.565 -16.820 -2.598 1.00 0.00 C ATOM 532 NE ARG A 37 12.277 -15.771 -1.837 1.00 0.00 N ATOM 533 CZ ARG A 37 11.947 -15.274 -0.648 1.00 0.00 C ATOM 534 NH1 ARG A 37 10.981 -15.750 0.103 1.00 0.00 N ATOM 535 NH2 ARG A 37 12.566 -14.232 -0.154 1.00 0.00 N ATOM 0 H ARG A 37 7.756 -13.925 -2.379 1.00 0.00 H new ATOM 0 HA ARG A 37 9.708 -13.816 -4.512 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.733 -15.007 -2.182 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.673 -16.197 -2.910 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.342 -17.003 -4.368 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.273 -15.520 -4.297 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.950 -17.410 -1.919 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.289 -17.501 -3.046 1.00 0.00 H new ATOM 0 HE ARG A 37 13.115 -15.385 -2.272 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.433 -16.548 -0.217 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.779 -15.322 1.006 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.316 -13.786 -0.683 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.298 -13.866 0.760 1.00 0.00 H new ATOM 549 N ASN A 38 6.854 -15.066 -5.274 1.00 0.00 N ATOM 550 CA ASN A 38 6.001 -15.568 -6.366 1.00 0.00 C ATOM 551 C ASN A 38 5.124 -14.489 -7.056 1.00 0.00 C ATOM 552 O ASN A 38 4.498 -14.776 -8.080 1.00 0.00 O ATOM 553 CB ASN A 38 5.152 -16.734 -5.828 1.00 0.00 C ATOM 554 CG ASN A 38 5.994 -17.946 -5.427 1.00 0.00 C ATOM 555 OD1 ASN A 38 6.868 -18.399 -6.157 1.00 0.00 O ATOM 556 ND2 ASN A 38 5.759 -18.510 -4.254 1.00 0.00 N ATOM 0 H ASN A 38 6.315 -14.770 -4.460 1.00 0.00 H new ATOM 0 HA ASN A 38 6.663 -15.911 -7.161 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.581 -16.393 -4.965 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.431 -17.034 -6.589 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.305 -19.320 -3.959 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.032 -18.135 -3.644 1.00 0.00 H new ATOM 563 N GLY A 39 5.078 -13.257 -6.527 1.00 0.00 N ATOM 564 CA GLY A 39 4.329 -12.109 -7.066 1.00 0.00 C ATOM 565 C GLY A 39 3.863 -11.131 -5.983 1.00 0.00 C ATOM 566 O GLY A 39 4.291 -11.223 -4.831 1.00 0.00 O ATOM 0 H GLY A 39 5.584 -13.022 -5.673 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.957 -11.577 -7.781 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.461 -12.475 -7.614 1.00 0.00 H new ATOM 570 N TRP A 40 2.970 -10.204 -6.344 1.00 0.00 N ATOM 571 CA TRP A 40 2.313 -9.298 -5.397 1.00 0.00 C ATOM 572 C TRP A 40 1.381 -10.056 -4.437 1.00 0.00 C ATOM 573 O TRP A 40 0.494 -10.790 -4.881 1.00 0.00 O ATOM 574 CB TRP A 40 1.521 -8.226 -6.159 1.00 0.00 C ATOM 575 CG TRP A 40 2.333 -7.304 -7.013 1.00 0.00 C ATOM 576 CD1 TRP A 40 2.503 -7.423 -8.347 1.00 0.00 C ATOM 577 CD2 TRP A 40 3.099 -6.123 -6.618 1.00 0.00 C ATOM 578 NE1 TRP A 40 3.320 -6.411 -8.803 1.00 0.00 N ATOM 579 CE2 TRP A 40 3.705 -5.566 -7.784 1.00 0.00 C ATOM 580 CE3 TRP A 40 3.340 -5.464 -5.393 1.00 0.00 C ATOM 581 CZ2 TRP A 40 4.499 -4.407 -7.739 1.00 0.00 C ATOM 582 CZ3 TRP A 40 4.143 -4.309 -5.336 1.00 0.00 C ATOM 583 CH2 TRP A 40 4.716 -3.771 -6.504 1.00 0.00 C ATOM 0 H TRP A 40 2.680 -10.060 -7.311 1.00 0.00 H new ATOM 0 HA TRP A 40 3.090 -8.822 -4.799 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.786 -8.724 -6.791 1.00 0.00 H new ATOM 0 HB3 TRP A 40 0.966 -7.628 -5.436 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.065 -8.194 -8.963 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.605 -6.301 -9.776 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.902 -5.852 -4.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.937 -4.010 -8.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.322 -3.830 -4.385 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.318 -2.876 -6.452 1.00 0.00 H new ATOM 594 N TRP A 41 1.536 -9.822 -3.128 1.00 0.00 N ATOM 595 CA TRP A 41 0.701 -10.396 -2.065 1.00 0.00 C ATOM 596 C TRP A 41 0.145 -9.301 -1.144 1.00 0.00 C ATOM 597 O TRP A 41 0.806 -8.291 -0.903 1.00 0.00 O ATOM 598 CB TRP A 41 1.502 -11.459 -1.293 1.00 0.00 C ATOM 599 CG TRP A 41 1.992 -12.593 -2.142 1.00 0.00 C ATOM 600 CD1 TRP A 41 3.275 -12.998 -2.274 1.00 0.00 C ATOM 601 CD2 TRP A 41 1.214 -13.446 -3.036 1.00 0.00 C ATOM 602 NE1 TRP A 41 3.349 -13.999 -3.223 1.00 0.00 N ATOM 603 CE2 TRP A 41 2.114 -14.277 -3.765 1.00 0.00 C ATOM 604 CE3 TRP A 41 -0.161 -13.578 -3.325 1.00 0.00 C ATOM 605 CZ2 TRP A 41 1.678 -15.144 -4.779 1.00 0.00 C ATOM 606 CZ3 TRP A 41 -0.612 -14.458 -4.322 1.00 0.00 C ATOM 607 CH2 TRP A 41 0.302 -15.232 -5.060 1.00 0.00 C ATOM 0 H TRP A 41 2.268 -9.210 -2.768 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.162 -10.887 -2.514 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.358 -10.979 -0.818 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.877 -11.860 -0.495 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.114 -12.600 -1.722 1.00 0.00 H new ATOM 0 HE1 TRP A 41 4.212 -14.474 -3.489 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -0.879 -12.992 -2.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.389 -15.736 -5.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.670 -14.541 -4.524 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.051 -15.891 -5.839 1.00 0.00 H new ATOM 618 N GLN A 42 -1.097 -9.472 -0.687 1.00 0.00 N ATOM 619 CA GLN A 42 -1.840 -8.441 0.046 1.00 0.00 C ATOM 620 C GLN A 42 -1.438 -8.401 1.533 1.00 0.00 C ATOM 621 O GLN A 42 -1.273 -9.441 2.174 1.00 0.00 O ATOM 622 CB GLN A 42 -3.351 -8.697 -0.116 1.00 0.00 C ATOM 623 CG GLN A 42 -4.193 -7.455 0.219 1.00 0.00 C ATOM 624 CD GLN A 42 -5.699 -7.734 0.238 1.00 0.00 C ATOM 625 OE1 GLN A 42 -6.240 -8.517 -0.535 1.00 0.00 O ATOM 626 NE2 GLN A 42 -6.443 -7.114 1.133 1.00 0.00 N ATOM 0 H GLN A 42 -1.621 -10.337 -0.816 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.593 -7.465 -0.371 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.557 -9.007 -1.141 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.649 -9.521 0.532 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.889 -7.070 1.192 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.984 -6.674 -0.512 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.015 -6.458 1.786 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.447 -7.290 1.172 1.00 0.00 H new ATOM 635 N TYR A 43 -1.324 -7.195 2.096 1.00 0.00 N ATOM 636 CA TYR A 43 -1.169 -6.976 3.542 1.00 0.00 C ATOM 637 C TYR A 43 -2.466 -7.264 4.332 1.00 0.00 C ATOM 638 O TYR A 43 -3.580 -7.150 3.814 1.00 0.00 O ATOM 639 CB TYR A 43 -0.726 -5.527 3.792 1.00 0.00 C ATOM 640 CG TYR A 43 0.745 -5.252 3.562 1.00 0.00 C ATOM 641 CD1 TYR A 43 1.684 -5.570 4.560 1.00 0.00 C ATOM 642 CD2 TYR A 43 1.171 -4.633 2.373 1.00 0.00 C ATOM 643 CE1 TYR A 43 3.044 -5.264 4.372 1.00 0.00 C ATOM 644 CE2 TYR A 43 2.526 -4.313 2.181 1.00 0.00 C ATOM 645 CZ TYR A 43 3.467 -4.637 3.180 1.00 0.00 C ATOM 646 OH TYR A 43 4.787 -4.373 2.984 1.00 0.00 O ATOM 0 H TYR A 43 -1.337 -6.330 1.556 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.414 -7.676 3.898 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.307 -4.870 3.145 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.972 -5.261 4.820 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.360 -6.050 5.472 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.451 -4.402 1.602 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.764 -5.509 5.139 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.845 -3.822 1.274 1.00 0.00 H new ATOM 0 HH TYR A 43 5.328 -5.043 3.452 1.00 0.00 H new ATOM 656 N ASP A 44 -2.315 -7.588 5.618 1.00 0.00 N ATOM 657 CA ASP A 44 -3.419 -7.747 6.575 1.00 0.00 C ATOM 658 C ASP A 44 -4.142 -6.411 6.859 1.00 0.00 C ATOM 659 O ASP A 44 -3.557 -5.335 6.725 1.00 0.00 O ATOM 660 CB ASP A 44 -2.854 -8.377 7.855 1.00 0.00 C ATOM 661 CG ASP A 44 -3.946 -8.638 8.898 1.00 0.00 C ATOM 662 OD1 ASP A 44 -4.673 -9.649 8.767 1.00 0.00 O ATOM 663 OD2 ASP A 44 -4.101 -7.790 9.803 1.00 0.00 O ATOM 0 H ASP A 44 -1.399 -7.752 6.036 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.178 -8.402 6.148 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.357 -9.315 7.608 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.097 -7.718 8.280 1.00 0.00 H new ATOM 668 N GLU A 45 -5.410 -6.469 7.280 1.00 0.00 N ATOM 669 CA GLU A 45 -6.263 -5.299 7.531 1.00 0.00 C ATOM 670 C GLU A 45 -5.796 -4.451 8.724 1.00 0.00 C ATOM 671 O GLU A 45 -6.098 -3.258 8.781 1.00 0.00 O ATOM 672 CB GLU A 45 -7.730 -5.743 7.705 1.00 0.00 C ATOM 673 CG GLU A 45 -7.927 -6.882 8.722 1.00 0.00 C ATOM 674 CD GLU A 45 -9.409 -7.104 9.060 1.00 0.00 C ATOM 675 OE1 GLU A 45 -10.187 -7.522 8.170 1.00 0.00 O ATOM 676 OE2 GLU A 45 -9.794 -6.880 10.233 1.00 0.00 O ATOM 0 H GLU A 45 -5.885 -7.353 7.461 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.182 -4.652 6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.323 -4.884 8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.118 -6.063 6.738 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.505 -7.803 8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.378 -6.652 9.635 1.00 0.00 H new ATOM 683 N ARG A 46 -5.024 -5.033 9.654 1.00 0.00 N ATOM 684 CA ARG A 46 -4.455 -4.325 10.807 1.00 0.00 C ATOM 685 C ARG A 46 -3.049 -3.780 10.517 1.00 0.00 C ATOM 686 O ARG A 46 -2.560 -2.934 11.271 1.00 0.00 O ATOM 687 CB ARG A 46 -4.437 -5.238 12.048 1.00 0.00 C ATOM 688 CG ARG A 46 -5.726 -6.043 12.316 1.00 0.00 C ATOM 689 CD ARG A 46 -7.020 -5.227 12.164 1.00 0.00 C ATOM 690 NE ARG A 46 -8.222 -6.037 12.413 1.00 0.00 N ATOM 691 CZ ARG A 46 -8.750 -6.398 13.574 1.00 0.00 C ATOM 692 NH1 ARG A 46 -8.211 -6.074 14.731 1.00 0.00 N ATOM 693 NH2 ARG A 46 -9.857 -7.107 13.562 1.00 0.00 N ATOM 0 H ARG A 46 -4.775 -6.022 9.625 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.098 -3.468 11.008 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.609 -5.940 11.946 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.228 -4.623 12.923 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.761 -6.890 11.631 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.683 -6.451 13.326 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.001 -4.386 12.858 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.068 -4.809 11.158 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.715 -6.364 11.582 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.353 -5.524 14.757 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.652 -6.373 15.601 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.287 -7.365 12.674 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.285 -7.399 14.441 1.00 0.00 H new ATOM 707 N THR A 47 -2.420 -4.227 9.420 1.00 0.00 N ATOM 708 CA THR A 47 -1.105 -3.763 8.950 1.00 0.00 C ATOM 709 C THR A 47 -1.249 -2.681 7.892 1.00 0.00 C ATOM 710 O THR A 47 -0.712 -1.593 8.052 1.00 0.00 O ATOM 711 CB THR A 47 -0.256 -4.933 8.444 1.00 0.00 C ATOM 712 OG1 THR A 47 -0.141 -5.868 9.492 1.00 0.00 O ATOM 713 CG2 THR A 47 1.145 -4.460 8.059 1.00 0.00 C ATOM 0 H THR A 47 -2.824 -4.943 8.817 1.00 0.00 H new ATOM 0 HA THR A 47 -0.584 -3.322 9.799 1.00 0.00 H new ATOM 0 HB THR A 47 -0.730 -5.371 7.566 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.398 -6.630 9.193 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.730 -5.308 7.703 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.072 -3.712 7.270 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.633 -4.023 8.930 1.00 0.00 H new ATOM 721 N SER A 48 -2.013 -2.938 6.832 1.00 0.00 N ATOM 722 CA SER A 48 -2.213 -1.991 5.720 1.00 0.00 C ATOM 723 C SER A 48 -2.810 -0.651 6.163 1.00 0.00 C ATOM 724 O SER A 48 -2.460 0.402 5.619 1.00 0.00 O ATOM 725 CB SER A 48 -3.097 -2.611 4.632 1.00 0.00 C ATOM 726 OG SER A 48 -4.364 -3.025 5.122 1.00 0.00 O ATOM 0 H SER A 48 -2.518 -3.816 6.713 1.00 0.00 H new ATOM 0 HA SER A 48 -1.220 -1.785 5.321 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.242 -1.886 3.831 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.583 -3.468 4.197 1.00 0.00 H new ATOM 0 HG SER A 48 -4.252 -3.815 5.692 1.00 0.00 H new ATOM 732 N ARG A 49 -3.631 -0.663 7.222 1.00 0.00 N ATOM 733 CA ARG A 49 -4.169 0.558 7.818 1.00 0.00 C ATOM 734 C ARG A 49 -3.071 1.466 8.383 1.00 0.00 C ATOM 735 O ARG A 49 -3.245 2.677 8.377 1.00 0.00 O ATOM 736 CB ARG A 49 -5.265 0.221 8.843 1.00 0.00 C ATOM 737 CG ARG A 49 -4.767 -0.320 10.199 1.00 0.00 C ATOM 738 CD ARG A 49 -4.266 0.709 11.234 1.00 0.00 C ATOM 739 NE ARG A 49 -5.169 1.863 11.402 1.00 0.00 N ATOM 740 CZ ARG A 49 -4.797 3.113 11.668 1.00 0.00 C ATOM 741 NH1 ARG A 49 -3.561 3.439 11.974 1.00 0.00 N ATOM 742 NH2 ARG A 49 -5.682 4.086 11.634 1.00 0.00 N ATOM 0 H ARG A 49 -3.937 -1.519 7.685 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.639 1.142 7.026 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.855 1.119 9.025 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.935 -0.517 8.402 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.579 -0.887 10.654 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.957 -1.023 10.004 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.141 0.213 12.196 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.283 1.068 10.930 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.169 1.687 11.306 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.839 2.720 12.015 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.324 4.411 12.170 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.655 3.883 11.404 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.395 5.043 11.838 1.00 0.00 H new ATOM 756 N GLU A 50 -1.934 0.915 8.826 1.00 0.00 N ATOM 757 CA GLU A 50 -0.825 1.713 9.373 1.00 0.00 C ATOM 758 C GLU A 50 -0.123 2.483 8.246 1.00 0.00 C ATOM 759 O GLU A 50 0.239 3.649 8.402 1.00 0.00 O ATOM 760 CB GLU A 50 0.207 0.821 10.092 1.00 0.00 C ATOM 761 CG GLU A 50 -0.346 -0.009 11.260 1.00 0.00 C ATOM 762 CD GLU A 50 -0.554 0.840 12.523 1.00 0.00 C ATOM 763 OE1 GLU A 50 -1.516 1.642 12.560 1.00 0.00 O ATOM 764 OE2 GLU A 50 0.235 0.704 13.488 1.00 0.00 O ATOM 0 H GLU A 50 -1.756 -0.089 8.817 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.246 2.412 10.095 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.648 0.142 9.362 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.012 1.454 10.466 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.294 -0.461 10.967 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.341 -0.826 11.481 1.00 0.00 H new ATOM 771 N LEU A 51 0.005 1.837 7.084 1.00 0.00 N ATOM 772 CA LEU A 51 0.629 2.371 5.874 1.00 0.00 C ATOM 773 C LEU A 51 -0.226 3.489 5.264 1.00 0.00 C ATOM 774 O LEU A 51 0.294 4.541 4.886 1.00 0.00 O ATOM 775 CB LEU A 51 0.824 1.209 4.877 1.00 0.00 C ATOM 776 CG LEU A 51 1.476 -0.064 5.457 1.00 0.00 C ATOM 777 CD1 LEU A 51 1.540 -1.145 4.375 1.00 0.00 C ATOM 778 CD2 LEU A 51 2.864 0.237 6.021 1.00 0.00 C ATOM 0 H LEU A 51 -0.339 0.885 6.957 1.00 0.00 H new ATOM 0 HA LEU A 51 1.596 2.810 6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.148 0.942 4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.436 1.564 4.048 1.00 0.00 H new ATOM 0 HG LEU A 51 0.865 -0.429 6.283 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.001 -2.044 4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.532 -1.378 4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.134 -0.784 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.300 -0.678 6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.503 0.625 5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.781 0.979 6.815 1.00 0.00 H new ATOM 790 N GLU A 52 -1.544 3.277 5.232 1.00 0.00 N ATOM 791 CA GLU A 52 -2.524 4.272 4.791 1.00 0.00 C ATOM 792 C GLU A 52 -2.677 5.450 5.776 1.00 0.00 C ATOM 793 O GLU A 52 -3.021 6.559 5.371 1.00 0.00 O ATOM 794 CB GLU A 52 -3.876 3.572 4.567 1.00 0.00 C ATOM 795 CG GLU A 52 -4.869 4.391 3.730 1.00 0.00 C ATOM 796 CD GLU A 52 -4.544 4.437 2.223 1.00 0.00 C ATOM 797 OE1 GLU A 52 -3.429 4.042 1.807 1.00 0.00 O ATOM 798 OE2 GLU A 52 -5.415 4.893 1.445 1.00 0.00 O ATOM 0 H GLU A 52 -1.967 2.394 5.517 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.162 4.707 3.860 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.702 2.616 4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.326 3.353 5.535 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.867 3.974 3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.896 5.410 4.115 1.00 0.00 H new ATOM 805 N ASP A 53 -2.400 5.257 7.069 1.00 0.00 N ATOM 806 CA ASP A 53 -2.502 6.317 8.079 1.00 0.00 C ATOM 807 C ASP A 53 -1.245 7.194 8.098 1.00 0.00 C ATOM 808 O ASP A 53 -1.317 8.404 8.273 1.00 0.00 O ATOM 809 CB ASP A 53 -2.717 5.669 9.452 1.00 0.00 C ATOM 810 CG ASP A 53 -3.190 6.615 10.567 1.00 0.00 C ATOM 811 OD1 ASP A 53 -3.811 7.663 10.283 1.00 0.00 O ATOM 812 OD2 ASP A 53 -3.006 6.238 11.749 1.00 0.00 O ATOM 0 H ASP A 53 -2.098 4.359 7.447 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.345 6.962 7.832 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.449 4.868 9.345 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.781 5.206 9.766 1.00 0.00 H new ATOM 817 N ALA A 54 -0.086 6.577 7.881 1.00 0.00 N ATOM 818 CA ALA A 54 1.233 7.211 7.913 1.00 0.00 C ATOM 819 C ALA A 54 1.382 8.397 6.941 1.00 0.00 C ATOM 820 O ALA A 54 1.754 9.492 7.372 1.00 0.00 O ATOM 821 CB ALA A 54 2.275 6.120 7.662 1.00 0.00 C ATOM 0 H ALA A 54 -0.036 5.580 7.669 1.00 0.00 H new ATOM 0 HA ALA A 54 1.381 7.663 8.894 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.273 6.559 7.679 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.200 5.359 8.439 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.096 5.663 6.689 1.00 0.00 H new ATOM 827 N PHE A 55 1.039 8.222 5.659 1.00 0.00 N ATOM 828 CA PHE A 55 1.094 9.322 4.683 1.00 0.00 C ATOM 829 C PHE A 55 0.031 10.398 4.967 1.00 0.00 C ATOM 830 O PHE A 55 0.198 11.562 4.604 1.00 0.00 O ATOM 831 CB PHE A 55 0.986 8.775 3.251 1.00 0.00 C ATOM 832 CG PHE A 55 -0.410 8.736 2.664 1.00 0.00 C ATOM 833 CD1 PHE A 55 -1.287 7.689 2.996 1.00 0.00 C ATOM 834 CD2 PHE A 55 -0.837 9.753 1.789 1.00 0.00 C ATOM 835 CE1 PHE A 55 -2.577 7.649 2.439 1.00 0.00 C ATOM 836 CE2 PHE A 55 -2.128 9.713 1.232 1.00 0.00 C ATOM 837 CZ PHE A 55 -2.997 8.658 1.556 1.00 0.00 C ATOM 0 H PHE A 55 0.721 7.333 5.272 1.00 0.00 H new ATOM 0 HA PHE A 55 2.062 9.812 4.785 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.616 9.383 2.602 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.394 7.764 3.236 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.970 6.915 3.679 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.171 10.567 1.545 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.247 6.840 2.691 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.450 10.492 0.557 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.987 8.622 1.127 1.00 0.00 H new ATOM 847 N SER A 56 -1.043 10.008 5.654 1.00 0.00 N ATOM 848 CA SER A 56 -2.112 10.903 6.109 1.00 0.00 C ATOM 849 C SER A 56 -1.694 11.737 7.341 1.00 0.00 C ATOM 850 O SER A 56 -2.112 12.888 7.492 1.00 0.00 O ATOM 851 CB SER A 56 -3.372 10.075 6.409 1.00 0.00 C ATOM 852 OG SER A 56 -4.545 10.871 6.297 1.00 0.00 O ATOM 0 H SER A 56 -1.199 9.035 5.917 1.00 0.00 H new ATOM 0 HA SER A 56 -2.322 11.615 5.311 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.432 9.234 5.718 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.306 9.658 7.414 1.00 0.00 H new ATOM 0 HG SER A 56 -5.333 10.322 6.491 1.00 0.00 H new ATOM 858 N LYS A 57 -0.807 11.199 8.193 1.00 0.00 N ATOM 859 CA LYS A 57 -0.216 11.908 9.338 1.00 0.00 C ATOM 860 C LYS A 57 0.868 12.904 8.900 1.00 0.00 C ATOM 861 O LYS A 57 0.930 14.020 9.425 1.00 0.00 O ATOM 862 CB LYS A 57 0.385 10.877 10.308 1.00 0.00 C ATOM 863 CG LYS A 57 -0.664 10.084 11.106 1.00 0.00 C ATOM 864 CD LYS A 57 -0.125 8.702 11.507 1.00 0.00 C ATOM 865 CE LYS A 57 1.226 8.750 12.242 1.00 0.00 C ATOM 866 NZ LYS A 57 1.052 8.845 13.717 1.00 0.00 N ATOM 0 H LYS A 57 -0.474 10.239 8.103 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.004 12.479 9.829 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.002 10.178 9.743 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.045 11.392 11.006 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.944 10.642 12.000 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.568 9.966 10.508 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.858 8.208 12.145 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.019 8.090 10.611 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.802 7.857 12.001 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.802 9.606 11.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.985 8.875 14.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.524 9.710 13.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.525 8.016 14.059 1.00 0.00 H new ATOM 880 N GLY A 58 1.714 12.506 7.938 1.00 0.00 N ATOM 881 CA GLY A 58 2.781 13.330 7.354 1.00 0.00 C ATOM 882 C GLY A 58 4.164 12.687 7.391 1.00 0.00 C ATOM 883 O GLY A 58 5.092 13.229 6.790 1.00 0.00 O ATOM 0 H GLY A 58 1.672 11.571 7.532 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.525 13.554 6.318 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.821 14.281 7.885 1.00 0.00 H new ATOM 887 N LYS A 59 4.330 11.540 8.064 1.00 0.00 N ATOM 888 CA LYS A 59 5.578 10.771 8.005 1.00 0.00 C ATOM 889 C LYS A 59 5.832 10.174 6.605 1.00 0.00 C ATOM 890 O LYS A 59 4.906 9.848 5.861 1.00 0.00 O ATOM 891 CB LYS A 59 5.623 9.697 9.113 1.00 0.00 C ATOM 892 CG LYS A 59 4.349 8.848 9.195 1.00 0.00 C ATOM 893 CD LYS A 59 4.525 7.565 10.018 1.00 0.00 C ATOM 894 CE LYS A 59 5.023 7.801 11.451 1.00 0.00 C ATOM 895 NZ LYS A 59 5.205 6.517 12.181 1.00 0.00 N ATOM 0 H LYS A 59 3.612 11.124 8.657 1.00 0.00 H new ATOM 0 HA LYS A 59 6.396 11.467 8.191 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.476 9.041 8.938 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.788 10.185 10.074 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.550 9.446 9.634 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.032 8.583 8.186 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.571 7.039 10.059 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.229 6.910 9.504 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.968 8.343 11.425 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.310 8.428 11.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.592 6.505 13.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.953 5.724 11.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.198 6.423 12.476 1.00 0.00 H new ATOM 909 N LYS A 60 7.113 9.995 6.265 1.00 0.00 N ATOM 910 CA LYS A 60 7.573 9.467 4.964 1.00 0.00 C ATOM 911 C LYS A 60 7.898 7.961 4.986 1.00 0.00 C ATOM 912 O LYS A 60 8.278 7.386 3.969 1.00 0.00 O ATOM 913 CB LYS A 60 8.736 10.338 4.456 1.00 0.00 C ATOM 914 CG LYS A 60 10.107 10.048 5.082 1.00 0.00 C ATOM 915 CD LYS A 60 11.151 11.053 4.586 1.00 0.00 C ATOM 916 CE LYS A 60 12.569 10.576 4.932 1.00 0.00 C ATOM 917 NZ LYS A 60 13.576 11.162 4.011 1.00 0.00 N ATOM 0 H LYS A 60 7.882 10.217 6.898 1.00 0.00 H new ATOM 0 HA LYS A 60 6.749 9.535 4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.816 10.211 3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.488 11.384 4.637 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.034 10.098 6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.421 9.035 4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.057 11.180 3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.969 12.028 5.039 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.808 10.853 5.959 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.612 9.488 4.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.528 10.862 4.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.391 10.836 3.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.515 12.200 4.045 1.00 0.00 H new ATOM 931 N ASN A 61 7.757 7.325 6.150 1.00 0.00 N ATOM 932 CA ASN A 61 7.976 5.897 6.394 1.00 0.00 C ATOM 933 C ASN A 61 7.466 5.528 7.792 1.00 0.00 C ATOM 934 O ASN A 61 7.431 6.378 8.684 1.00 0.00 O ATOM 935 CB ASN A 61 9.456 5.490 6.238 1.00 0.00 C ATOM 936 CG ASN A 61 10.362 6.122 7.283 1.00 0.00 C ATOM 937 OD1 ASN A 61 10.751 7.360 7.056 1.00 0.00 O flip ATOM 938 ND2 ASN A 61 10.705 5.525 8.295 1.00 0.00 N flip ATOM 0 H ASN A 61 7.471 7.819 6.995 1.00 0.00 H new ATOM 0 HA ASN A 61 7.416 5.346 5.638 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.537 4.405 6.304 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.802 5.776 5.245 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.393 4.567 8.452 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.303 5.986 8.981 1.00 0.00 H new ATOM 945 N THR A 62 7.081 4.266 7.976 1.00 0.00 N ATOM 946 CA THR A 62 6.479 3.738 9.209 1.00 0.00 C ATOM 947 C THR A 62 6.944 2.313 9.486 1.00 0.00 C ATOM 948 O THR A 62 7.510 1.666 8.611 1.00 0.00 O ATOM 949 CB THR A 62 4.957 3.913 9.182 1.00 0.00 C ATOM 950 OG1 THR A 62 4.518 3.887 10.520 1.00 0.00 O ATOM 951 CG2 THR A 62 4.222 2.848 8.367 1.00 0.00 C ATOM 0 H THR A 62 7.181 3.556 7.250 1.00 0.00 H new ATOM 0 HA THR A 62 6.831 4.321 10.060 1.00 0.00 H new ATOM 0 HB THR A 62 4.728 4.857 8.687 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.545 3.998 10.547 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.150 3.042 8.397 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.567 2.878 7.333 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.424 1.863 8.788 1.00 0.00 H new ATOM 959 N GLU A 63 6.729 1.831 10.704 1.00 0.00 N ATOM 960 CA GLU A 63 7.162 0.515 11.180 1.00 0.00 C ATOM 961 C GLU A 63 5.958 -0.389 11.450 1.00 0.00 C ATOM 962 O GLU A 63 4.923 0.052 11.959 1.00 0.00 O ATOM 963 CB GLU A 63 8.002 0.672 12.456 1.00 0.00 C ATOM 964 CG GLU A 63 9.408 1.191 12.131 1.00 0.00 C ATOM 965 CD GLU A 63 10.292 1.436 13.366 1.00 0.00 C ATOM 966 OE1 GLU A 63 9.865 1.191 14.518 1.00 0.00 O ATOM 967 OE2 GLU A 63 11.452 1.871 13.178 1.00 0.00 O ATOM 0 H GLU A 63 6.230 2.363 11.417 1.00 0.00 H new ATOM 0 HA GLU A 63 7.771 0.050 10.405 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.506 1.361 13.139 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.074 -0.288 12.968 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.906 0.474 11.479 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.319 2.122 11.572 1.00 0.00 H new ATOM 974 N MET A 64 6.115 -1.672 11.120 1.00 0.00 N ATOM 975 CA MET A 64 5.060 -2.683 11.172 1.00 0.00 C ATOM 976 C MET A 64 5.602 -4.053 11.587 1.00 0.00 C ATOM 977 O MET A 64 6.715 -4.447 11.225 1.00 0.00 O ATOM 978 CB MET A 64 4.328 -2.762 9.820 1.00 0.00 C ATOM 979 CG MET A 64 5.292 -2.925 8.637 1.00 0.00 C ATOM 980 SD MET A 64 4.510 -3.244 7.042 1.00 0.00 S ATOM 981 CE MET A 64 6.001 -3.674 6.109 1.00 0.00 C ATOM 0 H MET A 64 7.008 -2.047 10.799 1.00 0.00 H new ATOM 0 HA MET A 64 4.345 -2.380 11.937 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.633 -3.601 9.836 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.734 -1.859 9.679 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.894 -2.020 8.553 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.976 -3.744 8.858 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.890 -3.348 5.075 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.864 -3.180 6.555 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.148 -4.754 6.135 1.00 0.00 H new ATOM 991 N LEU A 65 4.780 -4.779 12.340 1.00 0.00 N ATOM 992 CA LEU A 65 5.023 -6.147 12.787 1.00 0.00 C ATOM 993 C LEU A 65 4.242 -7.122 11.905 1.00 0.00 C ATOM 994 O LEU A 65 3.101 -6.861 11.517 1.00 0.00 O ATOM 995 CB LEU A 65 4.623 -6.278 14.275 1.00 0.00 C ATOM 996 CG LEU A 65 5.606 -7.050 15.173 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.858 -8.499 14.746 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.932 -6.294 15.279 1.00 0.00 C ATOM 0 H LEU A 65 3.887 -4.413 12.670 1.00 0.00 H new ATOM 0 HA LEU A 65 6.082 -6.390 12.697 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.496 -5.276 14.686 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.651 -6.769 14.328 1.00 0.00 H new ATOM 0 HG LEU A 65 5.123 -7.111 16.148 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.562 -8.964 15.436 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.918 -9.051 14.760 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.273 -8.514 13.738 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.618 -6.851 15.917 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.368 -6.183 14.286 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.755 -5.308 15.709 1.00 0.00 H new ATOM 1010 N ILE A 66 4.866 -8.255 11.608 1.00 0.00 N ATOM 1011 CA ILE A 66 4.315 -9.322 10.753 1.00 0.00 C ATOM 1012 C ILE A 66 4.234 -10.666 11.508 1.00 0.00 C ATOM 1013 O ILE A 66 4.147 -10.688 12.734 1.00 0.00 O ATOM 1014 CB ILE A 66 5.080 -9.367 9.414 1.00 0.00 C ATOM 1015 CG1 ILE A 66 6.536 -9.844 9.607 1.00 0.00 C ATOM 1016 CG2 ILE A 66 5.019 -8.008 8.687 1.00 0.00 C ATOM 1017 CD1 ILE A 66 6.828 -11.107 8.798 1.00 0.00 C ATOM 0 H ILE A 66 5.798 -8.472 11.961 1.00 0.00 H new ATOM 0 HA ILE A 66 3.279 -9.099 10.498 1.00 0.00 H new ATOM 0 HB ILE A 66 4.583 -10.100 8.778 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.222 -9.052 9.306 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.718 -10.038 10.664 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.567 -8.073 7.747 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.980 -7.751 8.483 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.467 -7.239 9.316 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.862 -11.412 8.960 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.160 -11.907 9.118 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.671 -10.905 7.738 1.00 0.00 H new ATOM 1029 N ALA A 67 4.280 -11.798 10.798 1.00 0.00 N ATOM 1030 CA ALA A 67 4.268 -13.149 11.365 1.00 0.00 C ATOM 1031 C ALA A 67 5.424 -13.476 12.341 1.00 0.00 C ATOM 1032 O ALA A 67 5.331 -14.461 13.080 1.00 0.00 O ATOM 1033 CB ALA A 67 4.297 -14.126 10.182 1.00 0.00 C ATOM 0 H ALA A 67 4.328 -11.798 9.779 1.00 0.00 H new ATOM 0 HA ALA A 67 3.370 -13.235 11.977 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.289 -15.150 10.556 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.422 -13.962 9.553 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.201 -13.961 9.596 1.00 0.00 H new ATOM 1039 N GLY A 68 6.498 -12.673 12.366 1.00 0.00 N ATOM 1040 CA GLY A 68 7.643 -12.874 13.267 1.00 0.00 C ATOM 1041 C GLY A 68 8.800 -11.872 13.154 1.00 0.00 C ATOM 1042 O GLY A 68 9.893 -12.175 13.633 1.00 0.00 O ATOM 0 H GLY A 68 6.597 -11.860 11.758 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.275 -12.853 14.293 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.041 -13.873 13.092 1.00 0.00 H new ATOM 1046 N PHE A 69 8.592 -10.709 12.521 1.00 0.00 N ATOM 1047 CA PHE A 69 9.648 -9.753 12.150 1.00 0.00 C ATOM 1048 C PHE A 69 9.133 -8.304 12.142 1.00 0.00 C ATOM 1049 O PHE A 69 7.942 -8.059 11.937 1.00 0.00 O ATOM 1050 CB PHE A 69 10.218 -10.111 10.761 1.00 0.00 C ATOM 1051 CG PHE A 69 10.918 -11.456 10.654 1.00 0.00 C ATOM 1052 CD1 PHE A 69 12.287 -11.560 10.964 1.00 0.00 C ATOM 1053 CD2 PHE A 69 10.211 -12.602 10.232 1.00 0.00 C ATOM 1054 CE1 PHE A 69 12.946 -12.798 10.855 1.00 0.00 C ATOM 1055 CE2 PHE A 69 10.871 -13.839 10.124 1.00 0.00 C ATOM 1056 CZ PHE A 69 12.238 -13.938 10.434 1.00 0.00 C ATOM 0 H PHE A 69 7.661 -10.398 12.245 1.00 0.00 H new ATOM 0 HA PHE A 69 10.434 -9.823 12.902 1.00 0.00 H new ATOM 0 HB2 PHE A 69 9.402 -10.090 10.039 1.00 0.00 H new ATOM 0 HB3 PHE A 69 10.923 -9.333 10.468 1.00 0.00 H new ATOM 0 HD1 PHE A 69 12.833 -10.686 11.287 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.161 -12.529 9.991 1.00 0.00 H new ATOM 0 HE1 PHE A 69 13.996 -12.873 11.095 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.326 -14.714 9.802 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.744 -14.888 10.349 1.00 0.00 H new ATOM 1066 N LEU A 70 10.050 -7.345 12.322 1.00 0.00 N ATOM 1067 CA LEU A 70 9.790 -5.908 12.176 1.00 0.00 C ATOM 1068 C LEU A 70 10.272 -5.485 10.787 1.00 0.00 C ATOM 1069 O LEU A 70 11.444 -5.656 10.441 1.00 0.00 O ATOM 1070 CB LEU A 70 10.516 -5.133 13.295 1.00 0.00 C ATOM 1071 CG LEU A 70 10.130 -3.655 13.553 1.00 0.00 C ATOM 1072 CD1 LEU A 70 10.212 -2.724 12.334 1.00 0.00 C ATOM 1073 CD2 LEU A 70 8.740 -3.520 14.183 1.00 0.00 C ATOM 0 H LEU A 70 11.015 -7.552 12.579 1.00 0.00 H new ATOM 0 HA LEU A 70 8.727 -5.687 12.268 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.366 -5.680 14.226 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.584 -5.162 13.077 1.00 0.00 H new ATOM 0 HG LEU A 70 10.899 -3.325 14.251 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.921 -1.715 12.627 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.234 -2.711 11.954 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.540 -3.084 11.555 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.515 -2.466 14.345 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.994 -3.952 13.516 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.721 -4.046 15.138 1.00 0.00 H new ATOM 1085 N TYR A 71 9.371 -4.891 10.016 1.00 0.00 N ATOM 1086 CA TYR A 71 9.665 -4.277 8.719 1.00 0.00 C ATOM 1087 C TYR A 71 9.354 -2.773 8.730 1.00 0.00 C ATOM 1088 O TYR A 71 8.341 -2.329 9.271 1.00 0.00 O ATOM 1089 CB TYR A 71 8.890 -5.006 7.609 1.00 0.00 C ATOM 1090 CG TYR A 71 9.229 -6.475 7.398 1.00 0.00 C ATOM 1091 CD1 TYR A 71 10.561 -6.938 7.436 1.00 0.00 C ATOM 1092 CD2 TYR A 71 8.192 -7.391 7.151 1.00 0.00 C ATOM 1093 CE1 TYR A 71 10.839 -8.311 7.289 1.00 0.00 C ATOM 1094 CE2 TYR A 71 8.459 -8.763 7.023 1.00 0.00 C ATOM 1095 CZ TYR A 71 9.788 -9.234 7.101 1.00 0.00 C ATOM 1096 OH TYR A 71 10.071 -10.562 7.007 1.00 0.00 O ATOM 0 H TYR A 71 8.388 -4.819 10.278 1.00 0.00 H new ATOM 0 HA TYR A 71 10.732 -4.378 8.518 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.825 -4.930 7.829 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.060 -4.478 6.671 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.370 -6.237 7.578 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.177 -7.035 7.059 1.00 0.00 H new ATOM 0 HE1 TYR A 71 11.861 -8.659 7.320 1.00 0.00 H new ATOM 0 HE2 TYR A 71 7.648 -9.458 6.865 1.00 0.00 H new ATOM 0 HH TYR A 71 9.240 -11.065 6.880 1.00 0.00 H new ATOM 1106 N VAL A 72 10.236 -1.992 8.112 1.00 0.00 N ATOM 1107 CA VAL A 72 10.057 -0.564 7.827 1.00 0.00 C ATOM 1108 C VAL A 72 9.437 -0.456 6.436 1.00 0.00 C ATOM 1109 O VAL A 72 9.946 -1.057 5.494 1.00 0.00 O ATOM 1110 CB VAL A 72 11.390 0.214 7.863 1.00 0.00 C ATOM 1111 CG1 VAL A 72 11.149 1.734 7.803 1.00 0.00 C ATOM 1112 CG2 VAL A 72 12.226 -0.121 9.109 1.00 0.00 C ATOM 0 H VAL A 72 11.133 -2.348 7.781 1.00 0.00 H new ATOM 0 HA VAL A 72 9.418 -0.124 8.592 1.00 0.00 H new ATOM 0 HB VAL A 72 11.951 -0.098 6.982 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.106 2.255 7.830 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.626 1.983 6.880 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.545 2.041 8.657 1.00 0.00 H new ATOM 0 HG21 VAL A 72 13.154 0.451 9.089 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.661 0.135 10.006 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.456 -1.186 9.117 1.00 0.00 H new ATOM 1122 N ALA A 73 8.345 0.293 6.314 1.00 0.00 N ATOM 1123 CA ALA A 73 7.645 0.574 5.066 1.00 0.00 C ATOM 1124 C ALA A 73 7.826 2.050 4.691 1.00 0.00 C ATOM 1125 O ALA A 73 7.447 2.943 5.447 1.00 0.00 O ATOM 1126 CB ALA A 73 6.171 0.212 5.262 1.00 0.00 C ATOM 0 H ALA A 73 7.905 0.740 7.118 1.00 0.00 H new ATOM 0 HA ALA A 73 8.050 -0.018 4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.622 0.412 4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.086 -0.846 5.512 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.754 0.811 6.072 1.00 0.00 H new ATOM 1132 N ASP A 74 8.417 2.302 3.528 1.00 0.00 N ATOM 1133 CA ASP A 74 8.836 3.614 3.040 1.00 0.00 C ATOM 1134 C ASP A 74 7.905 4.120 1.929 1.00 0.00 C ATOM 1135 O ASP A 74 7.759 3.479 0.883 1.00 0.00 O ATOM 1136 CB ASP A 74 10.287 3.504 2.557 1.00 0.00 C ATOM 1137 CG ASP A 74 10.821 4.833 2.010 1.00 0.00 C ATOM 1138 OD1 ASP A 74 11.290 5.665 2.818 1.00 0.00 O ATOM 1139 OD2 ASP A 74 10.755 5.031 0.777 1.00 0.00 O ATOM 0 H ASP A 74 8.629 1.557 2.864 1.00 0.00 H new ATOM 0 HA ASP A 74 8.775 4.346 3.846 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.918 3.174 3.382 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.352 2.742 1.781 1.00 0.00 H new ATOM 1144 N LEU A 75 7.294 5.286 2.171 1.00 0.00 N ATOM 1145 CA LEU A 75 6.360 5.968 1.275 1.00 0.00 C ATOM 1146 C LEU A 75 7.058 6.766 0.163 1.00 0.00 C ATOM 1147 O LEU A 75 6.429 7.035 -0.861 1.00 0.00 O ATOM 1148 CB LEU A 75 5.471 6.902 2.127 1.00 0.00 C ATOM 1149 CG LEU A 75 4.391 6.174 2.957 1.00 0.00 C ATOM 1150 CD1 LEU A 75 3.982 6.997 4.187 1.00 0.00 C ATOM 1151 CD2 LEU A 75 3.180 5.921 2.064 1.00 0.00 C ATOM 0 H LEU A 75 7.446 5.801 3.038 1.00 0.00 H new ATOM 0 HA LEU A 75 5.763 5.210 0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.108 7.472 2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.983 7.620 1.468 1.00 0.00 H new ATOM 0 HG LEU A 75 4.796 5.229 3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.221 6.457 4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.853 7.161 4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.581 7.958 3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.407 5.407 2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.791 6.872 1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.476 5.303 1.216 1.00 0.00 H new ATOM 1163 N GLU A 76 8.336 7.129 0.329 1.00 0.00 N ATOM 1164 CA GLU A 76 9.084 7.908 -0.668 1.00 0.00 C ATOM 1165 C GLU A 76 9.340 7.105 -1.953 1.00 0.00 C ATOM 1166 O GLU A 76 9.078 7.573 -3.062 1.00 0.00 O ATOM 1167 CB GLU A 76 10.450 8.354 -0.121 1.00 0.00 C ATOM 1168 CG GLU A 76 10.414 9.285 1.091 1.00 0.00 C ATOM 1169 CD GLU A 76 11.579 10.286 1.038 1.00 0.00 C ATOM 1170 OE1 GLU A 76 11.412 11.378 0.448 1.00 0.00 O ATOM 1171 OE2 GLU A 76 12.660 10.002 1.607 1.00 0.00 O ATOM 0 H GLU A 76 8.881 6.891 1.158 1.00 0.00 H new ATOM 0 HA GLU A 76 8.463 8.775 -0.893 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.021 7.464 0.146 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.995 8.854 -0.922 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.466 9.823 1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.472 8.699 2.008 1.00 0.00 H new ATOM 1178 N ASN A 77 9.870 5.892 -1.788 1.00 0.00 N ATOM 1179 CA ASN A 77 10.298 4.988 -2.858 1.00 0.00 C ATOM 1180 C ASN A 77 9.269 3.869 -3.120 1.00 0.00 C ATOM 1181 O ASN A 77 9.396 3.126 -4.095 1.00 0.00 O ATOM 1182 CB ASN A 77 11.659 4.383 -2.467 1.00 0.00 C ATOM 1183 CG ASN A 77 12.757 5.419 -2.235 1.00 0.00 C ATOM 1184 OD1 ASN A 77 13.598 5.657 -3.094 1.00 0.00 O ATOM 1185 ND2 ASN A 77 12.830 6.020 -1.059 1.00 0.00 N ATOM 0 H ASN A 77 10.020 5.494 -0.861 1.00 0.00 H new ATOM 0 HA ASN A 77 10.384 5.557 -3.784 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.535 3.791 -1.560 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.980 3.699 -3.252 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.585 6.679 -0.869 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.132 5.824 -0.342 1.00 0.00 H new ATOM 1192 N MET A 78 8.278 3.734 -2.225 1.00 0.00 N ATOM 1193 CA MET A 78 7.288 2.643 -2.156 1.00 0.00 C ATOM 1194 C MET A 78 7.974 1.272 -2.012 1.00 0.00 C ATOM 1195 O MET A 78 7.915 0.427 -2.907 1.00 0.00 O ATOM 1196 CB MET A 78 6.294 2.674 -3.333 1.00 0.00 C ATOM 1197 CG MET A 78 5.506 3.986 -3.473 1.00 0.00 C ATOM 1198 SD MET A 78 3.737 3.875 -3.088 1.00 0.00 S ATOM 1199 CE MET A 78 3.822 3.747 -1.287 1.00 0.00 C ATOM 0 H MET A 78 8.136 4.423 -1.486 1.00 0.00 H new ATOM 0 HA MET A 78 6.696 2.807 -1.256 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.842 2.494 -4.258 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.587 1.852 -3.216 1.00 0.00 H new ATOM 0 HG2 MET A 78 5.957 4.732 -2.819 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.616 4.349 -4.495 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.813 3.724 -0.876 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.347 2.832 -1.012 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.357 4.608 -0.886 1.00 0.00 H new ATOM 1209 N VAL A 79 8.597 1.018 -0.858 1.00 0.00 N ATOM 1210 CA VAL A 79 9.379 -0.212 -0.584 1.00 0.00 C ATOM 1211 C VAL A 79 9.309 -0.631 0.892 1.00 0.00 C ATOM 1212 O VAL A 79 8.976 0.183 1.747 1.00 0.00 O ATOM 1213 CB VAL A 79 10.866 -0.061 -0.999 1.00 0.00 C ATOM 1214 CG1 VAL A 79 11.083 0.089 -2.512 1.00 0.00 C ATOM 1215 CG2 VAL A 79 11.537 1.111 -0.264 1.00 0.00 C ATOM 0 H VAL A 79 8.578 1.665 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 79 8.919 -0.992 -1.191 1.00 0.00 H new ATOM 0 HB VAL A 79 11.335 -1.000 -0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.149 0.189 -2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.695 -0.792 -3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 79 10.559 0.976 -2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.578 1.189 -0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.015 2.037 -0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.494 0.938 0.811 1.00 0.00 H new ATOM 1225 N GLN A 80 9.663 -1.882 1.200 1.00 0.00 N ATOM 1226 CA GLN A 80 9.789 -2.419 2.556 1.00 0.00 C ATOM 1227 C GLN A 80 11.135 -3.129 2.774 1.00 0.00 C ATOM 1228 O GLN A 80 11.718 -3.682 1.840 1.00 0.00 O ATOM 1229 CB GLN A 80 8.574 -3.303 2.902 1.00 0.00 C ATOM 1230 CG GLN A 80 8.449 -4.628 2.114 1.00 0.00 C ATOM 1231 CD GLN A 80 9.020 -5.860 2.829 1.00 0.00 C ATOM 1232 OE1 GLN A 80 9.887 -6.571 2.335 1.00 0.00 O ATOM 1233 NE2 GLN A 80 8.512 -6.200 3.997 1.00 0.00 N ATOM 0 H GLN A 80 9.878 -2.575 0.483 1.00 0.00 H new ATOM 0 HA GLN A 80 9.787 -1.584 3.256 1.00 0.00 H new ATOM 0 HB2 GLN A 80 8.613 -3.539 3.965 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.668 -2.720 2.738 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.396 -4.807 1.897 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.957 -4.514 1.156 1.00 0.00 H new ATOM 0 HE21 GLN A 80 7.789 -5.622 4.426 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.842 -7.041 4.471 1.00 0.00 H new ATOM 1242 N TYR A 81 11.633 -3.076 4.016 1.00 0.00 N ATOM 1243 CA TYR A 81 12.957 -3.566 4.439 1.00 0.00 C ATOM 1244 C TYR A 81 13.066 -3.766 5.964 1.00 0.00 C ATOM 1245 O TYR A 81 12.275 -3.208 6.729 1.00 0.00 O ATOM 1246 CB TYR A 81 14.047 -2.604 3.929 1.00 0.00 C ATOM 1247 CG TYR A 81 13.861 -1.124 4.241 1.00 0.00 C ATOM 1248 CD1 TYR A 81 14.223 -0.601 5.499 1.00 0.00 C ATOM 1249 CD2 TYR A 81 13.368 -0.255 3.248 1.00 0.00 C ATOM 1250 CE1 TYR A 81 14.129 0.782 5.749 1.00 0.00 C ATOM 1251 CE2 TYR A 81 13.252 1.126 3.496 1.00 0.00 C ATOM 1252 CZ TYR A 81 13.638 1.651 4.750 1.00 0.00 C ATOM 1253 OH TYR A 81 13.535 2.986 5.005 1.00 0.00 O ATOM 0 H TYR A 81 11.103 -2.673 4.789 1.00 0.00 H new ATOM 0 HA TYR A 81 13.100 -4.552 3.997 1.00 0.00 H new ATOM 0 HB2 TYR A 81 15.002 -2.921 4.347 1.00 0.00 H new ATOM 0 HB3 TYR A 81 14.119 -2.716 2.847 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.574 -1.264 6.275 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.076 -0.652 2.287 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.433 1.179 6.706 1.00 0.00 H new ATOM 0 HE2 TYR A 81 12.869 1.783 2.729 1.00 0.00 H new ATOM 0 HH TYR A 81 13.181 3.444 4.214 1.00 0.00 H new ATOM 1263 N ARG A 82 14.068 -4.523 6.431 1.00 0.00 N ATOM 1264 CA ARG A 82 14.421 -4.648 7.861 1.00 0.00 C ATOM 1265 C ARG A 82 15.268 -3.453 8.328 1.00 0.00 C ATOM 1266 O ARG A 82 16.090 -2.946 7.564 1.00 0.00 O ATOM 1267 CB ARG A 82 15.169 -5.970 8.106 1.00 0.00 C ATOM 1268 CG ARG A 82 14.210 -7.169 8.074 1.00 0.00 C ATOM 1269 CD ARG A 82 14.912 -8.529 8.173 1.00 0.00 C ATOM 1270 NE ARG A 82 15.795 -8.633 9.350 1.00 0.00 N ATOM 1271 CZ ARG A 82 17.125 -8.617 9.363 1.00 0.00 C ATOM 1272 NH1 ARG A 82 17.856 -8.450 8.281 1.00 0.00 N ATOM 1273 NH2 ARG A 82 17.755 -8.770 10.508 1.00 0.00 N ATOM 0 H ARG A 82 14.669 -5.077 5.820 1.00 0.00 H new ATOM 0 HA ARG A 82 13.500 -4.651 8.443 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.941 -6.099 7.348 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.674 -5.931 9.071 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.501 -7.077 8.897 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.633 -7.135 7.150 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.161 -9.318 8.217 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.498 -8.697 7.269 1.00 0.00 H new ATOM 0 HE ARG A 82 15.334 -8.728 10.255 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.405 -8.324 7.375 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.874 -8.446 8.349 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.224 -8.899 11.369 1.00 0.00 H new ATOM 0 HH22 ARG A 82 18.775 -8.760 10.534 1.00 0.00 H new ATOM 1287 N ARG A 83 15.105 -3.023 9.586 1.00 0.00 N ATOM 1288 CA ARG A 83 15.668 -1.765 10.135 1.00 0.00 C ATOM 1289 C ARG A 83 17.187 -1.591 9.929 1.00 0.00 C ATOM 1290 O ARG A 83 17.647 -0.489 9.634 1.00 0.00 O ATOM 1291 CB ARG A 83 15.354 -1.635 11.638 1.00 0.00 C ATOM 1292 CG ARG A 83 13.865 -1.793 11.984 1.00 0.00 C ATOM 1293 CD ARG A 83 13.560 -1.458 13.449 1.00 0.00 C ATOM 1294 NE ARG A 83 13.494 -0.007 13.675 1.00 0.00 N ATOM 1295 CZ ARG A 83 14.347 0.787 14.302 1.00 0.00 C ATOM 1296 NH1 ARG A 83 15.484 0.366 14.819 1.00 0.00 N ATOM 1297 NH2 ARG A 83 14.021 2.053 14.402 1.00 0.00 N ATOM 0 H ARG A 83 14.565 -3.548 10.274 1.00 0.00 H new ATOM 0 HA ARG A 83 15.181 -0.975 9.563 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.924 -2.387 12.184 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.696 -0.660 11.987 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.275 -1.144 11.337 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.555 -2.817 11.777 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.613 -1.914 13.736 1.00 0.00 H new ATOM 0 HD3 ARG A 83 14.329 -1.891 14.089 1.00 0.00 H new ATOM 0 HE ARG A 83 12.670 0.456 13.292 1.00 0.00 H new ATOM 0 HH11 ARG A 83 15.744 -0.618 14.746 1.00 0.00 H new ATOM 0 HH12 ARG A 83 16.104 1.024 15.292 1.00 0.00 H new ATOM 0 HH21 ARG A 83 13.142 2.386 14.005 1.00 0.00 H new ATOM 0 HH22 ARG A 83 14.646 2.705 14.877 1.00 0.00 H new ATOM 1311 N ASN A 84 17.956 -2.678 10.052 1.00 0.00 N ATOM 1312 CA ASN A 84 19.422 -2.691 9.904 1.00 0.00 C ATOM 1313 C ASN A 84 19.901 -3.065 8.480 1.00 0.00 C ATOM 1314 O ASN A 84 21.098 -3.031 8.196 1.00 0.00 O ATOM 1315 CB ASN A 84 19.998 -3.629 10.979 1.00 0.00 C ATOM 1316 CG ASN A 84 21.501 -3.433 11.169 1.00 0.00 C ATOM 1317 OD1 ASN A 84 21.966 -2.365 11.549 1.00 0.00 O ATOM 1318 ND2 ASN A 84 22.300 -4.454 10.918 1.00 0.00 N ATOM 0 H ASN A 84 17.570 -3.598 10.263 1.00 0.00 H new ATOM 0 HA ASN A 84 19.796 -1.678 10.049 1.00 0.00 H new ATOM 0 HB2 ASN A 84 19.487 -3.451 11.925 1.00 0.00 H new ATOM 0 HB3 ASN A 84 19.801 -4.664 10.700 1.00 0.00 H new ATOM 0 HD21 ASN A 84 23.308 -4.355 11.040 1.00 0.00 H new ATOM 0 HD22 ASN A 84 21.909 -5.342 10.602 1.00 0.00 H new ATOM 1325 N GLU A 85 18.979 -3.418 7.579 1.00 0.00 N ATOM 1326 CA GLU A 85 19.237 -3.930 6.224 1.00 0.00 C ATOM 1327 C GLU A 85 19.012 -2.844 5.150 1.00 0.00 C ATOM 1328 O GLU A 85 18.599 -3.110 4.027 1.00 0.00 O ATOM 1329 CB GLU A 85 18.361 -5.176 6.010 1.00 0.00 C ATOM 1330 CG GLU A 85 18.965 -6.108 4.959 1.00 0.00 C ATOM 1331 CD GLU A 85 18.034 -7.285 4.623 1.00 0.00 C ATOM 1332 OE1 GLU A 85 17.447 -7.879 5.561 1.00 0.00 O ATOM 1333 OE2 GLU A 85 17.909 -7.633 3.423 1.00 0.00 O ATOM 0 H GLU A 85 17.982 -3.352 7.782 1.00 0.00 H new ATOM 0 HA GLU A 85 20.285 -4.214 6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 85 18.251 -5.711 6.953 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.362 -4.871 5.698 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.174 -5.542 4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.918 -6.493 5.322 1.00 0.00 H new ATOM 1340 N HIS A 86 19.267 -1.587 5.505 1.00 0.00 N ATOM 1341 CA HIS A 86 18.919 -0.378 4.736 1.00 0.00 C ATOM 1342 C HIS A 86 19.470 -0.309 3.290 1.00 0.00 C ATOM 1343 O HIS A 86 18.929 0.416 2.451 1.00 0.00 O ATOM 1344 CB HIS A 86 19.363 0.843 5.552 1.00 0.00 C ATOM 1345 CG HIS A 86 20.852 0.934 5.762 1.00 0.00 C ATOM 1346 ND1 HIS A 86 21.768 1.445 4.838 1.00 0.00 N ATOM 1347 CD2 HIS A 86 21.529 0.509 6.867 1.00 0.00 C ATOM 1348 CE1 HIS A 86 22.976 1.311 5.414 1.00 0.00 C ATOM 1349 NE2 HIS A 86 22.864 0.753 6.632 1.00 0.00 N ATOM 0 H HIS A 86 19.745 -1.365 6.378 1.00 0.00 H new ATOM 0 HA HIS A 86 17.839 -0.403 4.589 1.00 0.00 H new ATOM 0 HB2 HIS A 86 19.022 1.747 5.048 1.00 0.00 H new ATOM 0 HB3 HIS A 86 18.871 0.815 6.524 1.00 0.00 H new ATOM 0 HD2 HIS A 86 21.101 0.067 7.755 1.00 0.00 H new ATOM 0 HE1 HIS A 86 23.909 1.611 4.960 1.00 0.00 H new ATOM 0 HE2 HIS A 86 23.633 0.547 7.270 1.00 0.00 H new ATOM 1357 N GLY A 87 20.512 -1.091 2.987 1.00 0.00 N ATOM 1358 CA GLY A 87 21.116 -1.241 1.653 1.00 0.00 C ATOM 1359 C GLY A 87 20.322 -2.131 0.682 1.00 0.00 C ATOM 1360 O GLY A 87 20.704 -2.223 -0.486 1.00 0.00 O ATOM 0 H GLY A 87 20.979 -1.661 3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 87 21.229 -0.253 1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 87 22.117 -1.656 1.768 1.00 0.00 H new ATOM 1364 N ARG A 88 19.239 -2.777 1.136 1.00 0.00 N ATOM 1365 CA ARG A 88 18.421 -3.731 0.378 1.00 0.00 C ATOM 1366 C ARG A 88 16.933 -3.607 0.756 1.00 0.00 C ATOM 1367 O ARG A 88 16.595 -3.392 1.918 1.00 0.00 O ATOM 1368 CB ARG A 88 18.978 -5.136 0.648 1.00 0.00 C ATOM 1369 CG ARG A 88 18.185 -6.232 -0.070 1.00 0.00 C ATOM 1370 CD ARG A 88 18.893 -7.580 0.065 1.00 0.00 C ATOM 1371 NE ARG A 88 18.093 -8.643 -0.560 1.00 0.00 N ATOM 1372 CZ ARG A 88 17.187 -9.406 0.045 1.00 0.00 C ATOM 1373 NH1 ARG A 88 16.927 -9.330 1.331 1.00 0.00 N ATOM 1374 NH2 ARG A 88 16.512 -10.283 -0.663 1.00 0.00 N ATOM 0 H ARG A 88 18.894 -2.641 2.086 1.00 0.00 H new ATOM 0 HA ARG A 88 18.473 -3.521 -0.690 1.00 0.00 H new ATOM 0 HB2 ARG A 88 20.019 -5.178 0.328 1.00 0.00 H new ATOM 0 HB3 ARG A 88 18.966 -5.328 1.721 1.00 0.00 H new ATOM 0 HG2 ARG A 88 17.181 -6.298 0.350 1.00 0.00 H new ATOM 0 HG3 ARG A 88 18.073 -5.977 -1.124 1.00 0.00 H new ATOM 0 HD2 ARG A 88 19.875 -7.531 -0.405 1.00 0.00 H new ATOM 0 HD3 ARG A 88 19.055 -7.809 1.118 1.00 0.00 H new ATOM 0 HE ARG A 88 18.248 -8.812 -1.554 1.00 0.00 H new ATOM 0 HH11 ARG A 88 17.431 -8.662 1.915 1.00 0.00 H new ATOM 0 HH12 ARG A 88 16.222 -9.939 1.746 1.00 0.00 H new ATOM 0 HH21 ARG A 88 16.686 -10.372 -1.664 1.00 0.00 H new ATOM 0 HH22 ARG A 88 15.814 -10.874 -0.212 1.00 0.00 H new ATOM 1388 N ARG A 89 16.038 -3.722 -0.234 1.00 0.00 N ATOM 1389 CA ARG A 89 14.603 -3.413 -0.102 1.00 0.00 C ATOM 1390 C ARG A 89 13.753 -4.016 -1.231 1.00 0.00 C ATOM 1391 O ARG A 89 14.273 -4.313 -2.309 1.00 0.00 O ATOM 1392 CB ARG A 89 14.427 -1.885 0.010 1.00 0.00 C ATOM 1393 CG ARG A 89 14.819 -1.121 -1.267 1.00 0.00 C ATOM 1394 CD ARG A 89 15.162 0.342 -0.964 1.00 0.00 C ATOM 1395 NE ARG A 89 15.133 1.157 -2.192 1.00 0.00 N ATOM 1396 CZ ARG A 89 15.068 2.482 -2.262 1.00 0.00 C ATOM 1397 NH1 ARG A 89 15.081 3.242 -1.186 1.00 0.00 N ATOM 1398 NH2 ARG A 89 14.982 3.071 -3.433 1.00 0.00 N ATOM 0 H ARG A 89 16.294 -4.039 -1.169 1.00 0.00 H new ATOM 0 HA ARG A 89 14.232 -3.884 0.808 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.387 -1.665 0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.030 -1.519 0.841 1.00 0.00 H new ATOM 0 HG2 ARG A 89 15.675 -1.607 -1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 89 13.998 -1.163 -1.983 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.452 0.743 -0.240 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.150 0.401 -0.508 1.00 0.00 H new ATOM 0 HE ARG A 89 15.166 0.652 -3.078 1.00 0.00 H new ATOM 0 HH11 ARG A 89 15.143 2.816 -0.261 1.00 0.00 H new ATOM 0 HH12 ARG A 89 15.030 4.257 -1.278 1.00 0.00 H new ATOM 0 HH21 ARG A 89 14.965 2.511 -4.285 1.00 0.00 H new ATOM 0 HH22 ARG A 89 14.932 4.088 -3.490 1.00 0.00 H new ATOM 1412 N ARG A 90 12.449 -4.190 -0.979 1.00 0.00 N ATOM 1413 CA ARG A 90 11.486 -4.881 -1.861 1.00 0.00 C ATOM 1414 C ARG A 90 10.227 -4.024 -2.060 1.00 0.00 C ATOM 1415 O ARG A 90 9.732 -3.426 -1.111 1.00 0.00 O ATOM 1416 CB ARG A 90 11.133 -6.257 -1.258 1.00 0.00 C ATOM 1417 CG ARG A 90 12.370 -7.164 -1.083 1.00 0.00 C ATOM 1418 CD ARG A 90 12.042 -8.568 -0.556 1.00 0.00 C ATOM 1419 NE ARG A 90 11.483 -8.535 0.807 1.00 0.00 N ATOM 1420 CZ ARG A 90 11.506 -9.524 1.692 1.00 0.00 C ATOM 1421 NH1 ARG A 90 12.175 -10.643 1.552 1.00 0.00 N ATOM 1422 NH2 ARG A 90 10.820 -9.419 2.800 1.00 0.00 N ATOM 0 H ARG A 90 12.015 -3.842 -0.124 1.00 0.00 H new ATOM 0 HA ARG A 90 11.939 -5.034 -2.841 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.653 -6.113 -0.290 1.00 0.00 H new ATOM 0 HB3 ARG A 90 10.409 -6.757 -1.902 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.879 -7.256 -2.042 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.067 -6.683 -0.397 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.330 -9.049 -1.227 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.946 -9.177 -0.561 1.00 0.00 H new ATOM 0 HE ARG A 90 11.034 -7.667 1.099 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.732 -10.803 0.713 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.138 -11.354 2.283 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.270 -8.579 2.982 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.835 -10.177 3.483 1.00 0.00 H new ATOM 1436 N LYS A 91 9.719 -3.923 -3.290 1.00 0.00 N ATOM 1437 CA LYS A 91 8.608 -3.029 -3.682 1.00 0.00 C ATOM 1438 C LYS A 91 7.284 -3.247 -2.918 1.00 0.00 C ATOM 1439 O LYS A 91 6.909 -4.380 -2.609 1.00 0.00 O ATOM 1440 CB LYS A 91 8.369 -3.199 -5.198 1.00 0.00 C ATOM 1441 CG LYS A 91 9.178 -2.255 -6.101 1.00 0.00 C ATOM 1442 CD LYS A 91 8.708 -0.788 -6.078 1.00 0.00 C ATOM 1443 CE LYS A 91 7.255 -0.536 -6.515 1.00 0.00 C ATOM 1444 NZ LYS A 91 7.039 -0.814 -7.962 1.00 0.00 N ATOM 0 H LYS A 91 10.075 -4.475 -4.071 1.00 0.00 H new ATOM 0 HA LYS A 91 8.917 -2.017 -3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.604 -4.227 -5.473 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.309 -3.049 -5.401 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.225 -2.292 -5.799 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.129 -2.623 -7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.833 -0.403 -5.066 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.366 -0.207 -6.724 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.587 -1.163 -5.924 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.990 0.500 -6.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.045 -0.629 -8.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.655 -0.198 -8.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.265 -1.809 -8.162 1.00 0.00 H new ATOM 1458 N ILE A 92 6.524 -2.165 -2.711 1.00 0.00 N ATOM 1459 CA ILE A 92 5.125 -2.168 -2.222 1.00 0.00 C ATOM 1460 C ILE A 92 4.245 -1.292 -3.131 1.00 0.00 C ATOM 1461 O ILE A 92 4.760 -0.513 -3.933 1.00 0.00 O ATOM 1462 CB ILE A 92 5.006 -1.777 -0.724 1.00 0.00 C ATOM 1463 CG1 ILE A 92 5.207 -0.266 -0.512 1.00 0.00 C ATOM 1464 CG2 ILE A 92 5.952 -2.631 0.136 1.00 0.00 C ATOM 1465 CD1 ILE A 92 5.360 0.212 0.937 1.00 0.00 C ATOM 0 H ILE A 92 6.873 -1.222 -2.884 1.00 0.00 H new ATOM 0 HA ILE A 92 4.757 -3.193 -2.277 1.00 0.00 H new ATOM 0 HB ILE A 92 3.990 -1.993 -0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.094 0.040 -1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.358 0.256 -0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.854 -2.342 1.182 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.694 -3.684 0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.981 -2.474 -0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.495 1.294 0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.466 -0.049 1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 92 6.228 -0.268 1.389 1.00 0.00 H new ATOM 1477 N LYS A 93 2.923 -1.421 -3.012 1.00 0.00 N ATOM 1478 CA LYS A 93 1.934 -0.634 -3.765 1.00 0.00 C ATOM 1479 C LYS A 93 0.568 -0.543 -3.058 1.00 0.00 C ATOM 1480 O LYS A 93 0.299 -1.282 -2.107 1.00 0.00 O ATOM 1481 CB LYS A 93 1.771 -1.204 -5.198 1.00 0.00 C ATOM 1482 CG LYS A 93 1.014 -2.545 -5.246 1.00 0.00 C ATOM 1483 CD LYS A 93 0.619 -2.951 -6.670 1.00 0.00 C ATOM 1484 CE LYS A 93 -0.127 -4.296 -6.632 1.00 0.00 C ATOM 1485 NZ LYS A 93 -0.901 -4.543 -7.875 1.00 0.00 N ATOM 0 H LYS A 93 2.495 -2.092 -2.374 1.00 0.00 H new ATOM 0 HA LYS A 93 2.320 0.384 -3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.242 -0.475 -5.812 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.758 -1.337 -5.641 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.638 -3.325 -4.810 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.117 -2.473 -4.631 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.015 -2.184 -7.116 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.508 -3.033 -7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.590 -5.104 -6.486 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.802 -4.311 -5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.015 -5.567 -8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.838 -4.099 -7.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.393 -4.136 -8.687 1.00 0.00 H new ATOM 1499 N ARG A 94 -0.308 0.317 -3.590 1.00 0.00 N ATOM 1500 CA ARG A 94 -1.743 0.363 -3.278 1.00 0.00 C ATOM 1501 C ARG A 94 -2.540 -0.251 -4.439 1.00 0.00 C ATOM 1502 O ARG A 94 -2.111 -0.196 -5.594 1.00 0.00 O ATOM 1503 CB ARG A 94 -2.226 1.802 -3.052 1.00 0.00 C ATOM 1504 CG ARG A 94 -1.662 2.444 -1.781 1.00 0.00 C ATOM 1505 CD ARG A 94 -2.353 3.798 -1.575 1.00 0.00 C ATOM 1506 NE ARG A 94 -1.772 4.560 -0.464 1.00 0.00 N ATOM 1507 CZ ARG A 94 -0.695 5.334 -0.516 1.00 0.00 C ATOM 1508 NH1 ARG A 94 0.076 5.406 -1.583 1.00 0.00 N ATOM 1509 NH2 ARG A 94 -0.378 6.069 0.521 1.00 0.00 N ATOM 0 H ARG A 94 -0.030 1.023 -4.271 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.903 -0.203 -2.361 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.945 2.410 -3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -3.315 1.807 -3.000 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.833 1.796 -0.921 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.584 2.578 -1.870 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -2.279 4.384 -2.491 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.414 3.636 -1.385 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.243 4.488 0.438 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.146 4.854 -2.411 1.00 0.00 H new ATOM 0 HH12 ARG A 94 0.895 6.014 -1.580 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -0.957 6.044 1.360 1.00 0.00 H new ATOM 0 HH22 ARG A 94 0.448 6.667 0.489 1.00 0.00 H new ATOM 1523 N ASP A 95 -3.713 -0.792 -4.142 1.00 0.00 N ATOM 1524 CA ASP A 95 -4.702 -1.268 -5.113 1.00 0.00 C ATOM 1525 C ASP A 95 -6.135 -1.111 -4.572 1.00 0.00 C ATOM 1526 O ASP A 95 -6.345 -0.647 -3.450 1.00 0.00 O ATOM 1527 CB ASP A 95 -4.406 -2.727 -5.517 1.00 0.00 C ATOM 1528 CG ASP A 95 -4.491 -2.918 -7.037 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -5.576 -2.649 -7.603 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -3.473 -3.331 -7.648 1.00 0.00 O ATOM 0 H ASP A 95 -4.020 -0.919 -3.177 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.626 -0.650 -6.008 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.412 -3.007 -5.169 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -5.115 -3.393 -5.025 1.00 0.00 H new ATOM 1535 N ILE A 96 -7.128 -1.501 -5.374 1.00 0.00 N ATOM 1536 CA ILE A 96 -8.562 -1.328 -5.096 1.00 0.00 C ATOM 1537 C ILE A 96 -9.299 -2.659 -5.253 1.00 0.00 C ATOM 1538 O ILE A 96 -9.076 -3.409 -6.206 1.00 0.00 O ATOM 1539 CB ILE A 96 -9.167 -0.262 -6.037 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -8.430 1.091 -5.969 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -10.671 -0.048 -5.747 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -8.592 1.808 -4.628 1.00 0.00 C ATOM 0 H ILE A 96 -6.953 -1.962 -6.267 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.678 -0.988 -4.067 1.00 0.00 H new ATOM 0 HB ILE A 96 -9.043 -0.653 -7.047 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.369 0.928 -6.159 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -8.800 1.738 -6.765 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -11.068 0.708 -6.425 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -11.207 -0.986 -5.894 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -10.799 0.285 -4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.048 2.752 -4.652 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.649 2.003 -4.445 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.195 1.181 -3.830 1.00 0.00 H new ATOM 1554 N ILE A 97 -10.209 -2.926 -4.322 1.00 0.00 N ATOM 1555 CA ILE A 97 -11.152 -4.054 -4.390 1.00 0.00 C ATOM 1556 C ILE A 97 -12.444 -3.622 -5.091 1.00 0.00 C ATOM 1557 O ILE A 97 -12.951 -2.528 -4.840 1.00 0.00 O ATOM 1558 CB ILE A 97 -11.471 -4.605 -2.990 1.00 0.00 C ATOM 1559 CG1 ILE A 97 -10.217 -5.015 -2.203 1.00 0.00 C ATOM 1560 CG2 ILE A 97 -12.431 -5.797 -3.099 1.00 0.00 C ATOM 1561 CD1 ILE A 97 -9.640 -3.852 -1.384 1.00 0.00 C ATOM 0 H ILE A 97 -10.320 -2.359 -3.481 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.679 -4.850 -4.965 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.942 -3.794 -2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.463 -5.840 -1.535 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.459 -5.381 -2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.650 -6.180 -2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -13.357 -5.476 -3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -11.969 -6.583 -3.696 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.755 -4.190 -0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -9.367 -3.036 -2.053 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.387 -3.503 -0.671 1.00 0.00 H new ATOM 1573 N ASP A 98 -13.009 -4.507 -5.913 1.00 0.00 N ATOM 1574 CA ASP A 98 -14.242 -4.253 -6.675 1.00 0.00 C ATOM 1575 C ASP A 98 -15.523 -4.878 -6.074 1.00 0.00 C ATOM 1576 O ASP A 98 -16.610 -4.346 -6.294 1.00 0.00 O ATOM 1577 CB ASP A 98 -14.017 -4.713 -8.122 1.00 0.00 C ATOM 1578 CG ASP A 98 -15.162 -4.309 -9.067 1.00 0.00 C ATOM 1579 OD1 ASP A 98 -15.350 -3.091 -9.299 1.00 0.00 O ATOM 1580 OD2 ASP A 98 -15.836 -5.215 -9.614 1.00 0.00 O ATOM 0 H ASP A 98 -12.620 -5.436 -6.074 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.433 -3.181 -6.631 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.083 -4.290 -8.491 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.905 -5.797 -8.139 1.00 0.00 H new ATOM 1585 N ILE A 99 -15.381 -5.957 -5.286 1.00 0.00 N ATOM 1586 CA ILE A 99 -16.425 -6.703 -4.534 1.00 0.00 C ATOM 1587 C ILE A 99 -17.343 -7.543 -5.469 1.00 0.00 C ATOM 1588 O ILE A 99 -17.910 -7.001 -6.426 1.00 0.00 O ATOM 1589 CB ILE A 99 -17.252 -5.783 -3.593 1.00 0.00 C ATOM 1590 CG1 ILE A 99 -16.384 -4.917 -2.645 1.00 0.00 C ATOM 1591 CG2 ILE A 99 -18.285 -6.571 -2.765 1.00 0.00 C ATOM 1592 CD1 ILE A 99 -15.630 -5.695 -1.556 1.00 0.00 C ATOM 0 H ILE A 99 -14.460 -6.371 -5.141 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.891 -7.408 -3.897 1.00 0.00 H new ATOM 0 HB ILE A 99 -17.776 -5.106 -4.268 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -15.659 -4.366 -3.244 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -17.026 -4.179 -2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -18.837 -5.884 -2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -18.978 -7.078 -3.436 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -17.771 -7.309 -2.149 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -15.053 -5.000 -0.946 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -16.345 -6.224 -0.925 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -14.957 -6.414 -2.023 1.00 0.00 H new