USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 571 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 517 SER OG : rot 180:sc= 0.662 USER MOD Set 1.2: A 519 THR OG1 : rot 180:sc= 0 USER MOD Single : A 442 LYS NZ :NH3+ -140:sc= 0.292 (180deg=0.0411) USER MOD Single : A 458 THR OG1 : rot 79:sc= 1.18 USER MOD Single : A 460 SER OG : rot 76:sc= 1.21 USER MOD Single : A 486 TYR OH : rot 180:sc= 0 USER MOD Single : A 492 GLN : amide:sc= 0.581 K(o=0.58,f=-0.00017) USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot -78:sc= 0.225 USER MOD Single : A 498 GLN : amide:sc= 0.624 K(o=0.62,f=0) USER MOD Single : A 504 CYS SG : rot 70:sc= 0.663 USER MOD Single : A 512 TYR OH : rot 180:sc= 0 USER MOD Single : A 514 CYS SG : rot 180:sc= -0.0225 USER MOD Single : A 516 SER OG : rot 180:sc= 0.632 USER MOD Single : A 521 LYS NZ :NH3+ -173:sc= 1.1 (180deg=1.06) USER MOD Single : A 523 LYS NZ :NH3+ -170:sc= 0.448 (180deg=0.356) USER MOD Single : A 526 GLN : amide:sc= 1.25 K(o=1.3,f=-7.5!) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 441 -1.482 13.576 -8.485 1.00 0.00 N ATOM 80 CA ARG A 441 -1.450 12.181 -8.951 1.00 0.00 C ATOM 81 C ARG A 441 -0.502 11.307 -8.111 1.00 0.00 C ATOM 82 O ARG A 441 -0.467 10.089 -8.282 1.00 0.00 O ATOM 83 CB ARG A 441 -1.068 12.106 -10.434 1.00 0.00 C ATOM 84 CG ARG A 441 -1.993 12.968 -11.309 1.00 0.00 C ATOM 85 CD ARG A 441 -1.938 12.585 -12.789 1.00 0.00 C ATOM 86 NE ARG A 441 -0.564 12.560 -13.322 1.00 0.00 N ATOM 87 CZ ARG A 441 0.134 13.576 -13.813 1.00 0.00 C ATOM 88 NH1 ARG A 441 -0.351 14.800 -13.868 1.00 0.00 N ATOM 89 NH2 ARG A 441 1.354 13.369 -14.258 1.00 0.00 N ATOM 0 HA ARG A 441 -2.458 11.785 -8.826 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -0.037 12.437 -10.560 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -1.114 11.070 -10.769 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.018 12.871 -10.951 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -1.716 14.016 -11.199 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.393 11.603 -12.923 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.534 13.293 -13.365 1.00 0.00 H new ATOM 0 HE ARG A 441 -0.094 11.655 -13.312 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -1.293 14.991 -13.526 1.00 0.00 H new ATOM 0 HH12 ARG A 441 0.215 15.556 -14.252 1.00 0.00 H new ATOM 0 HH21 ARG A 441 1.757 12.433 -14.224 1.00 0.00 H new ATOM 0 HH22 ARG A 441 1.897 14.145 -14.637 1.00 0.00 H new ATOM 103 N LYS A 442 0.273 11.914 -7.206 1.00 0.00 N ATOM 104 CA LYS A 442 1.105 11.223 -6.216 1.00 0.00 C ATOM 105 C LYS A 442 0.250 10.749 -5.021 1.00 0.00 C ATOM 106 O LYS A 442 -0.589 11.502 -4.527 1.00 0.00 O ATOM 107 CB LYS A 442 2.247 12.176 -5.812 1.00 0.00 C ATOM 108 CG LYS A 442 3.202 11.603 -4.751 1.00 0.00 C ATOM 109 CD LYS A 442 4.348 12.587 -4.473 1.00 0.00 C ATOM 110 CE LYS A 442 5.240 12.064 -3.340 1.00 0.00 C ATOM 111 NZ LYS A 442 6.321 13.022 -2.992 1.00 0.00 N ATOM 0 H LYS A 442 0.340 12.930 -7.140 1.00 0.00 H new ATOM 0 HA LYS A 442 1.545 10.317 -6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 442 2.822 12.433 -6.701 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.815 13.102 -5.433 1.00 0.00 H new ATOM 0 HG2 LYS A 442 2.654 11.403 -3.830 1.00 0.00 H new ATOM 0 HG3 LYS A 442 3.607 10.651 -5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 442 4.942 12.728 -5.376 1.00 0.00 H new ATOM 0 HD3 LYS A 442 3.941 13.562 -4.204 1.00 0.00 H new ATOM 0 HE2 LYS A 442 4.629 11.871 -2.458 1.00 0.00 H new ATOM 0 HE3 LYS A 442 5.681 11.112 -3.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 7.201 12.500 -2.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 6.469 13.681 -3.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 6.051 13.557 -2.142 1.00 0.00 H new ATOM 125 N VAL A 443 0.465 9.521 -4.539 1.00 0.00 N ATOM 126 CA VAL A 443 -0.250 8.938 -3.385 1.00 0.00 C ATOM 127 C VAL A 443 0.714 8.109 -2.533 1.00 0.00 C ATOM 128 O VAL A 443 1.299 7.150 -3.026 1.00 0.00 O ATOM 129 CB VAL A 443 -1.440 8.049 -3.830 1.00 0.00 C ATOM 130 CG1 VAL A 443 -2.229 7.528 -2.617 1.00 0.00 C ATOM 131 CG2 VAL A 443 -2.415 8.772 -4.769 1.00 0.00 C ATOM 0 H VAL A 443 1.154 8.887 -4.944 1.00 0.00 H new ATOM 0 HA VAL A 443 -0.648 9.765 -2.798 1.00 0.00 H new ATOM 0 HB VAL A 443 -0.992 7.219 -4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -3.057 6.908 -2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -1.571 6.935 -1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -2.619 8.371 -2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -3.225 8.096 -5.044 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -2.827 9.645 -4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.887 9.089 -5.668 1.00 0.00 H new ATOM 141 N PHE A 444 0.866 8.456 -1.255 1.00 0.00 N ATOM 142 CA PHE A 444 1.630 7.669 -0.284 1.00 0.00 C ATOM 143 C PHE A 444 0.857 6.408 0.140 1.00 0.00 C ATOM 144 O PHE A 444 -0.359 6.460 0.337 1.00 0.00 O ATOM 145 CB PHE A 444 1.932 8.549 0.937 1.00 0.00 C ATOM 146 CG PHE A 444 2.612 7.821 2.083 1.00 0.00 C ATOM 147 CD1 PHE A 444 4.005 7.621 2.063 1.00 0.00 C ATOM 148 CD2 PHE A 444 1.851 7.308 3.155 1.00 0.00 C ATOM 149 CE1 PHE A 444 4.636 6.937 3.116 1.00 0.00 C ATOM 150 CE2 PHE A 444 2.483 6.613 4.201 1.00 0.00 C ATOM 151 CZ PHE A 444 3.875 6.430 4.184 1.00 0.00 C ATOM 0 H PHE A 444 0.457 9.302 -0.859 1.00 0.00 H new ATOM 0 HA PHE A 444 2.562 7.341 -0.744 1.00 0.00 H new ATOM 0 HB2 PHE A 444 2.565 9.379 0.624 1.00 0.00 H new ATOM 0 HB3 PHE A 444 0.998 8.979 1.299 1.00 0.00 H new ATOM 0 HD1 PHE A 444 4.591 7.994 1.236 1.00 0.00 H new ATOM 0 HD2 PHE A 444 0.780 7.450 3.172 1.00 0.00 H new ATOM 0 HE1 PHE A 444 5.707 6.801 3.105 1.00 0.00 H new ATOM 0 HE2 PHE A 444 1.897 6.219 5.018 1.00 0.00 H new ATOM 0 HZ PHE A 444 4.361 5.900 4.990 1.00 0.00 H new ATOM 161 N VAL A 445 1.574 5.297 0.328 1.00 0.00 N ATOM 162 CA VAL A 445 1.047 4.016 0.827 1.00 0.00 C ATOM 163 C VAL A 445 1.970 3.484 1.923 1.00 0.00 C ATOM 164 O VAL A 445 3.164 3.315 1.683 1.00 0.00 O ATOM 165 CB VAL A 445 0.917 2.968 -0.299 1.00 0.00 C ATOM 166 CG1 VAL A 445 0.343 1.634 0.213 1.00 0.00 C ATOM 167 CG2 VAL A 445 0.028 3.488 -1.432 1.00 0.00 C ATOM 0 H VAL A 445 2.574 5.259 0.131 1.00 0.00 H new ATOM 0 HA VAL A 445 0.049 4.194 1.227 1.00 0.00 H new ATOM 0 HB VAL A 445 1.926 2.791 -0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 445 0.270 0.928 -0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 445 1.000 1.226 0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.648 1.802 0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -0.047 2.731 -2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -0.966 3.708 -1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 445 0.464 4.396 -1.849 1.00 0.00 H new ATOM 177 N GLY A 446 1.417 3.219 3.111 1.00 0.00 N ATOM 178 CA GLY A 446 2.142 2.709 4.284 1.00 0.00 C ATOM 179 C GLY A 446 1.587 1.388 4.821 1.00 0.00 C ATOM 180 O GLY A 446 0.388 1.131 4.736 1.00 0.00 O ATOM 0 H GLY A 446 0.422 3.357 3.290 1.00 0.00 H new ATOM 0 HA2 GLY A 446 3.191 2.573 4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 446 2.107 3.457 5.076 1.00 0.00 H new ATOM 184 N GLY A 447 2.458 0.562 5.408 1.00 0.00 N ATOM 185 CA GLY A 447 2.114 -0.742 6.000 1.00 0.00 C ATOM 186 C GLY A 447 2.263 -1.930 5.043 1.00 0.00 C ATOM 187 O GLY A 447 1.689 -2.987 5.304 1.00 0.00 O ATOM 0 H GLY A 447 3.450 0.785 5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 447 2.748 -0.911 6.871 1.00 0.00 H new ATOM 0 HA3 GLY A 447 1.085 -0.705 6.357 1.00 0.00 H new ATOM 191 N LEU A 448 2.996 -1.766 3.937 1.00 0.00 N ATOM 192 CA LEU A 448 3.233 -2.796 2.914 1.00 0.00 C ATOM 193 C LEU A 448 3.938 -4.039 3.516 1.00 0.00 C ATOM 194 O LEU A 448 4.821 -3.864 4.365 1.00 0.00 O ATOM 195 CB LEU A 448 4.080 -2.180 1.777 1.00 0.00 C ATOM 196 CG LEU A 448 3.333 -1.138 0.916 1.00 0.00 C ATOM 197 CD1 LEU A 448 4.323 -0.329 0.072 1.00 0.00 C ATOM 198 CD2 LEU A 448 2.322 -1.809 -0.026 1.00 0.00 C ATOM 0 H LEU A 448 3.458 -0.883 3.720 1.00 0.00 H new ATOM 0 HA LEU A 448 2.276 -3.134 2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 448 4.962 -1.709 2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 448 4.434 -2.982 1.129 1.00 0.00 H new ATOM 0 HG LEU A 448 2.800 -0.479 1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 448 3.779 0.400 -0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 448 5.021 0.190 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 448 4.874 -1.001 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 448 1.814 -1.047 -0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 448 2.845 -2.496 -0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 448 1.588 -2.361 0.561 1.00 0.00 H new ATOM 210 N PRO A 449 3.585 -5.274 3.090 1.00 0.00 N ATOM 211 CA PRO A 449 4.246 -6.509 3.524 1.00 0.00 C ATOM 212 C PRO A 449 5.774 -6.505 3.313 1.00 0.00 C ATOM 213 O PRO A 449 6.260 -5.817 2.413 1.00 0.00 O ATOM 214 CB PRO A 449 3.598 -7.632 2.709 1.00 0.00 C ATOM 215 CG PRO A 449 2.201 -7.100 2.409 1.00 0.00 C ATOM 216 CD PRO A 449 2.450 -5.604 2.229 1.00 0.00 C ATOM 0 HA PRO A 449 4.116 -6.633 4.599 1.00 0.00 H new ATOM 0 HB2 PRO A 449 4.154 -7.835 1.794 1.00 0.00 H new ATOM 0 HB3 PRO A 449 3.559 -8.564 3.272 1.00 0.00 H new ATOM 0 HG2 PRO A 449 1.778 -7.552 1.512 1.00 0.00 H new ATOM 0 HG3 PRO A 449 1.506 -7.301 3.225 1.00 0.00 H new ATOM 0 HD2 PRO A 449 2.670 -5.368 1.188 1.00 0.00 H new ATOM 0 HD3 PRO A 449 1.569 -5.026 2.508 1.00 0.00 H new ATOM 224 N PRO A 450 6.541 -7.296 4.091 1.00 0.00 N ATOM 225 CA PRO A 450 8.005 -7.322 4.041 1.00 0.00 C ATOM 226 C PRO A 450 8.581 -8.108 2.844 1.00 0.00 C ATOM 227 O PRO A 450 9.801 -8.227 2.733 1.00 0.00 O ATOM 228 CB PRO A 450 8.423 -7.939 5.381 1.00 0.00 C ATOM 229 CG PRO A 450 7.293 -8.926 5.665 1.00 0.00 C ATOM 230 CD PRO A 450 6.065 -8.181 5.146 1.00 0.00 C ATOM 0 HA PRO A 450 8.402 -6.318 3.892 1.00 0.00 H new ATOM 0 HB2 PRO A 450 9.389 -8.439 5.312 1.00 0.00 H new ATOM 0 HB3 PRO A 450 8.509 -7.186 6.164 1.00 0.00 H new ATOM 0 HG2 PRO A 450 7.442 -9.873 5.147 1.00 0.00 H new ATOM 0 HG3 PRO A 450 7.210 -9.154 6.728 1.00 0.00 H new ATOM 0 HD2 PRO A 450 5.320 -8.878 4.762 1.00 0.00 H new ATOM 0 HD3 PRO A 450 5.588 -7.613 5.945 1.00 0.00 H new ATOM 238 N ASP A 451 7.736 -8.638 1.949 1.00 0.00 N ATOM 239 CA ASP A 451 8.135 -9.478 0.804 1.00 0.00 C ATOM 240 C ASP A 451 7.323 -9.160 -0.471 1.00 0.00 C ATOM 241 O ASP A 451 7.189 -9.990 -1.371 1.00 0.00 O ATOM 242 CB ASP A 451 8.063 -10.961 1.221 1.00 0.00 C ATOM 243 CG ASP A 451 8.861 -11.896 0.292 1.00 0.00 C ATOM 244 OD1 ASP A 451 10.033 -11.583 -0.028 1.00 0.00 O ATOM 245 OD2 ASP A 451 8.339 -12.978 -0.068 1.00 0.00 O ATOM 0 H ASP A 451 6.728 -8.492 2.000 1.00 0.00 H new ATOM 0 HA ASP A 451 9.166 -9.250 0.533 1.00 0.00 H new ATOM 0 HB2 ASP A 451 8.440 -11.064 2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 451 7.020 -11.277 1.234 1.00 0.00 H new ATOM 250 N ILE A 452 6.768 -7.944 -0.541 1.00 0.00 N ATOM 251 CA ILE A 452 6.152 -7.372 -1.751 1.00 0.00 C ATOM 252 C ILE A 452 7.180 -6.498 -2.495 1.00 0.00 C ATOM 253 O ILE A 452 8.168 -6.060 -1.908 1.00 0.00 O ATOM 254 CB ILE A 452 4.858 -6.613 -1.370 1.00 0.00 C ATOM 255 CG1 ILE A 452 3.903 -6.519 -2.576 1.00 0.00 C ATOM 256 CG2 ILE A 452 5.151 -5.213 -0.798 1.00 0.00 C ATOM 257 CD1 ILE A 452 2.508 -6.006 -2.213 1.00 0.00 C ATOM 0 H ILE A 452 6.732 -7.313 0.260 1.00 0.00 H new ATOM 0 HA ILE A 452 5.858 -8.162 -2.441 1.00 0.00 H new ATOM 0 HB ILE A 452 4.371 -7.188 -0.582 1.00 0.00 H new ATOM 0 HG12 ILE A 452 4.340 -5.859 -3.325 1.00 0.00 H new ATOM 0 HG13 ILE A 452 3.811 -7.504 -3.034 1.00 0.00 H new ATOM 0 HG21 ILE A 452 4.213 -4.719 -0.546 1.00 0.00 H new ATOM 0 HG22 ILE A 452 5.764 -5.307 0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 452 5.684 -4.620 -1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 452 1.890 -5.966 -3.110 1.00 0.00 H new ATOM 0 HD12 ILE A 452 2.051 -6.678 -1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 452 2.588 -5.008 -1.783 1.00 0.00 H new ATOM 269 N ASP A 453 6.955 -6.227 -3.781 1.00 0.00 N ATOM 270 CA ASP A 453 7.900 -5.524 -4.655 1.00 0.00 C ATOM 271 C ASP A 453 7.212 -4.571 -5.644 1.00 0.00 C ATOM 272 O ASP A 453 5.990 -4.587 -5.779 1.00 0.00 O ATOM 273 CB ASP A 453 8.773 -6.549 -5.394 1.00 0.00 C ATOM 274 CG ASP A 453 8.049 -7.236 -6.562 1.00 0.00 C ATOM 275 OD1 ASP A 453 8.077 -6.677 -7.685 1.00 0.00 O ATOM 276 OD2 ASP A 453 7.469 -8.325 -6.352 1.00 0.00 O ATOM 0 H ASP A 453 6.093 -6.495 -4.256 1.00 0.00 H new ATOM 0 HA ASP A 453 8.526 -4.895 -4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 453 9.665 -6.050 -5.772 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.108 -7.308 -4.687 1.00 0.00 H new ATOM 281 N GLU A 454 8.018 -3.765 -6.342 1.00 0.00 N ATOM 282 CA GLU A 454 7.594 -2.750 -7.318 1.00 0.00 C ATOM 283 C GLU A 454 6.452 -3.206 -8.251 1.00 0.00 C ATOM 284 O GLU A 454 5.472 -2.480 -8.429 1.00 0.00 O ATOM 285 CB GLU A 454 8.820 -2.351 -8.161 1.00 0.00 C ATOM 286 CG GLU A 454 8.562 -1.155 -9.089 1.00 0.00 C ATOM 287 CD GLU A 454 9.739 -0.954 -10.052 1.00 0.00 C ATOM 288 OE1 GLU A 454 10.735 -0.306 -9.657 1.00 0.00 O ATOM 289 OE2 GLU A 454 9.674 -1.431 -11.209 1.00 0.00 O ATOM 0 H GLU A 454 9.032 -3.802 -6.239 1.00 0.00 H new ATOM 0 HA GLU A 454 7.195 -1.908 -6.752 1.00 0.00 H new ATOM 0 HB2 GLU A 454 9.648 -2.111 -7.493 1.00 0.00 H new ATOM 0 HB3 GLU A 454 9.132 -3.206 -8.761 1.00 0.00 H new ATOM 0 HG2 GLU A 454 7.645 -1.319 -9.656 1.00 0.00 H new ATOM 0 HG3 GLU A 454 8.413 -0.253 -8.495 1.00 0.00 H new ATOM 296 N ASP A 455 6.548 -4.406 -8.835 1.00 0.00 N ATOM 297 CA ASP A 455 5.595 -4.896 -9.839 1.00 0.00 C ATOM 298 C ASP A 455 4.286 -5.403 -9.214 1.00 0.00 C ATOM 299 O ASP A 455 3.229 -5.317 -9.839 1.00 0.00 O ATOM 300 CB ASP A 455 6.269 -5.994 -10.674 1.00 0.00 C ATOM 301 CG ASP A 455 5.434 -6.393 -11.902 1.00 0.00 C ATOM 302 OD1 ASP A 455 5.274 -5.552 -12.819 1.00 0.00 O ATOM 303 OD2 ASP A 455 4.975 -7.559 -11.968 1.00 0.00 O ATOM 0 H ASP A 455 7.294 -5.069 -8.623 1.00 0.00 H new ATOM 0 HA ASP A 455 5.318 -4.060 -10.481 1.00 0.00 H new ATOM 0 HB2 ASP A 455 7.249 -5.647 -11.002 1.00 0.00 H new ATOM 0 HB3 ASP A 455 6.434 -6.872 -10.049 1.00 0.00 H new ATOM 308 N GLU A 456 4.337 -5.863 -7.961 1.00 0.00 N ATOM 309 CA GLU A 456 3.157 -6.246 -7.179 1.00 0.00 C ATOM 310 C GLU A 456 2.460 -5.024 -6.571 1.00 0.00 C ATOM 311 O GLU A 456 1.232 -4.979 -6.527 1.00 0.00 O ATOM 312 CB GLU A 456 3.545 -7.216 -6.057 1.00 0.00 C ATOM 313 CG GLU A 456 3.967 -8.599 -6.553 1.00 0.00 C ATOM 314 CD GLU A 456 2.797 -9.395 -7.154 1.00 0.00 C ATOM 315 OE1 GLU A 456 1.955 -9.913 -6.382 1.00 0.00 O ATOM 316 OE2 GLU A 456 2.726 -9.539 -8.397 1.00 0.00 O ATOM 0 H GLU A 456 5.213 -5.982 -7.453 1.00 0.00 H new ATOM 0 HA GLU A 456 2.464 -6.735 -7.863 1.00 0.00 H new ATOM 0 HB2 GLU A 456 4.363 -6.782 -5.481 1.00 0.00 H new ATOM 0 HB3 GLU A 456 2.700 -7.327 -5.377 1.00 0.00 H new ATOM 0 HG2 GLU A 456 4.750 -8.488 -7.304 1.00 0.00 H new ATOM 0 HG3 GLU A 456 4.397 -9.162 -5.725 1.00 0.00 H new ATOM 323 N ILE A 457 3.214 -3.998 -6.163 1.00 0.00 N ATOM 324 CA ILE A 457 2.658 -2.695 -5.757 1.00 0.00 C ATOM 325 C ILE A 457 1.985 -2.027 -6.965 1.00 0.00 C ATOM 326 O ILE A 457 0.912 -1.446 -6.818 1.00 0.00 O ATOM 327 CB ILE A 457 3.752 -1.803 -5.121 1.00 0.00 C ATOM 328 CG1 ILE A 457 4.341 -2.448 -3.844 1.00 0.00 C ATOM 329 CG2 ILE A 457 3.182 -0.416 -4.758 1.00 0.00 C ATOM 330 CD1 ILE A 457 5.692 -1.846 -3.438 1.00 0.00 C ATOM 0 H ILE A 457 4.231 -4.044 -6.103 1.00 0.00 H new ATOM 0 HA ILE A 457 1.898 -2.844 -4.990 1.00 0.00 H new ATOM 0 HB ILE A 457 4.544 -1.696 -5.862 1.00 0.00 H new ATOM 0 HG12 ILE A 457 3.634 -2.327 -3.023 1.00 0.00 H new ATOM 0 HG13 ILE A 457 4.461 -3.519 -4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 457 3.967 0.195 -4.313 1.00 0.00 H new ATOM 0 HG22 ILE A 457 2.810 0.072 -5.659 1.00 0.00 H new ATOM 0 HG23 ILE A 457 2.365 -0.533 -4.046 1.00 0.00 H new ATOM 0 HD11 ILE A 457 6.054 -2.339 -2.536 1.00 0.00 H new ATOM 0 HD12 ILE A 457 6.412 -1.990 -4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 457 5.572 -0.780 -3.245 1.00 0.00 H new ATOM 342 N THR A 458 2.549 -2.185 -8.172 1.00 0.00 N ATOM 343 CA THR A 458 1.911 -1.750 -9.423 1.00 0.00 C ATOM 344 C THR A 458 0.645 -2.552 -9.684 1.00 0.00 C ATOM 345 O THR A 458 -0.411 -1.949 -9.834 1.00 0.00 O ATOM 346 CB THR A 458 2.882 -1.821 -10.611 1.00 0.00 C ATOM 347 OG1 THR A 458 4.042 -1.072 -10.329 1.00 0.00 O ATOM 348 CG2 THR A 458 2.270 -1.231 -11.883 1.00 0.00 C ATOM 0 H THR A 458 3.462 -2.619 -8.308 1.00 0.00 H new ATOM 0 HA THR A 458 1.629 -0.703 -9.310 1.00 0.00 H new ATOM 0 HB THR A 458 3.111 -2.875 -10.767 1.00 0.00 H new ATOM 0 HG1 THR A 458 4.631 -1.590 -9.741 1.00 0.00 H new ATOM 0 HG21 THR A 458 2.989 -1.301 -12.699 1.00 0.00 H new ATOM 0 HG22 THR A 458 1.369 -1.786 -12.145 1.00 0.00 H new ATOM 0 HG23 THR A 458 2.015 -0.185 -11.713 1.00 0.00 H new ATOM 356 N ALA A 459 0.706 -3.887 -9.686 1.00 0.00 N ATOM 357 CA ALA A 459 -0.457 -4.744 -9.939 1.00 0.00 C ATOM 358 C ALA A 459 -1.596 -4.543 -8.918 1.00 0.00 C ATOM 359 O ALA A 459 -2.770 -4.645 -9.274 1.00 0.00 O ATOM 360 CB ALA A 459 0.011 -6.204 -9.973 1.00 0.00 C ATOM 0 H ALA A 459 1.567 -4.406 -9.512 1.00 0.00 H new ATOM 0 HA ALA A 459 -0.884 -4.463 -10.902 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -0.843 -6.855 -10.160 1.00 0.00 H new ATOM 0 HB2 ALA A 459 0.746 -6.332 -10.767 1.00 0.00 H new ATOM 0 HB3 ALA A 459 0.462 -6.464 -9.015 1.00 0.00 H new ATOM 366 N SER A 460 -1.266 -4.200 -7.672 1.00 0.00 N ATOM 367 CA SER A 460 -2.243 -3.908 -6.614 1.00 0.00 C ATOM 368 C SER A 460 -3.055 -2.623 -6.855 1.00 0.00 C ATOM 369 O SER A 460 -4.174 -2.517 -6.346 1.00 0.00 O ATOM 370 CB SER A 460 -1.543 -3.809 -5.251 1.00 0.00 C ATOM 371 OG SER A 460 -0.948 -5.040 -4.869 1.00 0.00 O ATOM 0 H SER A 460 -0.298 -4.115 -7.362 1.00 0.00 H new ATOM 0 HA SER A 460 -2.947 -4.740 -6.627 1.00 0.00 H new ATOM 0 HB2 SER A 460 -0.778 -3.034 -5.292 1.00 0.00 H new ATOM 0 HB3 SER A 460 -2.265 -3.505 -4.494 1.00 0.00 H new ATOM 0 HG SER A 460 -0.119 -5.173 -5.374 1.00 0.00 H new ATOM 377 N PHE A 461 -2.539 -1.669 -7.648 1.00 0.00 N ATOM 378 CA PHE A 461 -3.194 -0.377 -7.902 1.00 0.00 C ATOM 379 C PHE A 461 -3.461 -0.102 -9.397 1.00 0.00 C ATOM 380 O PHE A 461 -4.170 0.852 -9.722 1.00 0.00 O ATOM 381 CB PHE A 461 -2.390 0.731 -7.202 1.00 0.00 C ATOM 382 CG PHE A 461 -2.468 0.704 -5.679 1.00 0.00 C ATOM 383 CD1 PHE A 461 -1.598 -0.115 -4.933 1.00 0.00 C ATOM 384 CD2 PHE A 461 -3.387 1.524 -4.994 1.00 0.00 C ATOM 385 CE1 PHE A 461 -1.641 -0.125 -3.528 1.00 0.00 C ATOM 386 CE2 PHE A 461 -3.417 1.530 -3.586 1.00 0.00 C ATOM 387 CZ PHE A 461 -2.550 0.703 -2.851 1.00 0.00 C ATOM 0 H PHE A 461 -1.649 -1.775 -8.134 1.00 0.00 H new ATOM 0 HA PHE A 461 -4.196 -0.403 -7.473 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -1.345 0.648 -7.501 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -2.747 1.699 -7.554 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -0.887 -0.745 -5.448 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -4.070 2.149 -5.550 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -0.976 -0.768 -2.971 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.111 2.175 -3.067 1.00 0.00 H new ATOM 0 HZ PHE A 461 -2.583 0.705 -1.772 1.00 0.00 H new ATOM 397 N ARG A 462 -3.015 -0.978 -10.313 1.00 0.00 N ATOM 398 CA ARG A 462 -3.315 -0.920 -11.758 1.00 0.00 C ATOM 399 C ARG A 462 -4.825 -0.995 -12.061 1.00 0.00 C ATOM 400 O ARG A 462 -5.282 -0.475 -13.079 1.00 0.00 O ATOM 401 CB ARG A 462 -2.552 -2.047 -12.489 1.00 0.00 C ATOM 402 CG ARG A 462 -2.337 -1.807 -13.994 1.00 0.00 C ATOM 403 CD ARG A 462 -1.346 -0.665 -14.250 1.00 0.00 C ATOM 404 NE ARG A 462 -1.032 -0.521 -15.682 1.00 0.00 N ATOM 405 CZ ARG A 462 0.043 0.066 -16.200 1.00 0.00 C ATOM 406 NH1 ARG A 462 1.009 0.557 -15.449 1.00 0.00 N ATOM 407 NH2 ARG A 462 0.156 0.177 -17.505 1.00 0.00 N ATOM 0 H ARG A 462 -2.420 -1.768 -10.065 1.00 0.00 H new ATOM 0 HA ARG A 462 -2.980 0.050 -12.124 1.00 0.00 H new ATOM 0 HB2 ARG A 462 -1.580 -2.177 -12.013 1.00 0.00 H new ATOM 0 HB3 ARG A 462 -3.098 -2.981 -12.358 1.00 0.00 H new ATOM 0 HG2 ARG A 462 -1.967 -2.721 -14.459 1.00 0.00 H new ATOM 0 HG3 ARG A 462 -3.292 -1.573 -14.465 1.00 0.00 H new ATOM 0 HD2 ARG A 462 -1.764 0.269 -13.874 1.00 0.00 H new ATOM 0 HD3 ARG A 462 -0.427 -0.850 -13.694 1.00 0.00 H new ATOM 0 HE ARG A 462 -1.706 -0.910 -16.342 1.00 0.00 H new ATOM 0 HH11 ARG A 462 0.947 0.494 -14.433 1.00 0.00 H new ATOM 0 HH12 ARG A 462 1.818 1.000 -15.884 1.00 0.00 H new ATOM 0 HH21 ARG A 462 -0.578 -0.186 -18.113 1.00 0.00 H new ATOM 0 HH22 ARG A 462 0.978 0.626 -17.909 1.00 0.00 H new ATOM 421 N ARG A 463 -5.608 -1.559 -11.132 1.00 0.00 N ATOM 422 CA ARG A 463 -7.082 -1.571 -11.112 1.00 0.00 C ATOM 423 C ARG A 463 -7.746 -0.181 -11.230 1.00 0.00 C ATOM 424 O ARG A 463 -8.911 -0.096 -11.621 1.00 0.00 O ATOM 425 CB ARG A 463 -7.563 -2.300 -9.842 1.00 0.00 C ATOM 426 CG ARG A 463 -7.091 -1.621 -8.542 1.00 0.00 C ATOM 427 CD ARG A 463 -7.549 -2.360 -7.281 1.00 0.00 C ATOM 428 NE ARG A 463 -8.985 -2.157 -7.014 1.00 0.00 N ATOM 429 CZ ARG A 463 -9.632 -2.507 -5.907 1.00 0.00 C ATOM 430 NH1 ARG A 463 -9.029 -3.126 -4.913 1.00 0.00 N ATOM 431 NH2 ARG A 463 -10.912 -2.232 -5.786 1.00 0.00 N ATOM 0 H ARG A 463 -5.211 -2.047 -10.329 1.00 0.00 H new ATOM 0 HA ARG A 463 -7.398 -2.103 -12.010 1.00 0.00 H new ATOM 0 HB2 ARG A 463 -8.652 -2.346 -9.847 1.00 0.00 H new ATOM 0 HB3 ARG A 463 -7.201 -3.328 -9.861 1.00 0.00 H new ATOM 0 HG2 ARG A 463 -6.003 -1.559 -8.545 1.00 0.00 H new ATOM 0 HG3 ARG A 463 -7.468 -0.599 -8.515 1.00 0.00 H new ATOM 0 HD2 ARG A 463 -7.348 -3.426 -7.392 1.00 0.00 H new ATOM 0 HD3 ARG A 463 -6.968 -2.013 -6.426 1.00 0.00 H new ATOM 0 HE ARG A 463 -9.533 -1.706 -7.747 1.00 0.00 H new ATOM 0 HH11 ARG A 463 -8.036 -3.351 -4.979 1.00 0.00 H new ATOM 0 HH12 ARG A 463 -9.555 -3.381 -4.077 1.00 0.00 H new ATOM 0 HH21 ARG A 463 -11.404 -1.752 -6.540 1.00 0.00 H new ATOM 0 HH22 ARG A 463 -11.413 -2.499 -4.938 1.00 0.00 H new ATOM 445 N PHE A 464 -7.017 0.901 -10.922 1.00 0.00 N ATOM 446 CA PHE A 464 -7.488 2.291 -10.988 1.00 0.00 C ATOM 447 C PHE A 464 -7.045 3.036 -12.263 1.00 0.00 C ATOM 448 O PHE A 464 -7.471 4.171 -12.486 1.00 0.00 O ATOM 449 CB PHE A 464 -7.003 3.016 -9.724 1.00 0.00 C ATOM 450 CG PHE A 464 -7.439 2.358 -8.425 1.00 0.00 C ATOM 451 CD1 PHE A 464 -8.808 2.186 -8.150 1.00 0.00 C ATOM 452 CD2 PHE A 464 -6.481 1.861 -7.519 1.00 0.00 C ATOM 453 CE1 PHE A 464 -9.218 1.518 -6.984 1.00 0.00 C ATOM 454 CE2 PHE A 464 -6.893 1.178 -6.361 1.00 0.00 C ATOM 455 CZ PHE A 464 -8.261 1.015 -6.086 1.00 0.00 C ATOM 0 H PHE A 464 -6.049 0.829 -10.609 1.00 0.00 H new ATOM 0 HA PHE A 464 -8.577 2.280 -11.036 1.00 0.00 H new ATOM 0 HB2 PHE A 464 -5.915 3.070 -9.744 1.00 0.00 H new ATOM 0 HB3 PHE A 464 -7.373 4.041 -9.742 1.00 0.00 H new ATOM 0 HD1 PHE A 464 -9.547 2.569 -8.838 1.00 0.00 H new ATOM 0 HD2 PHE A 464 -5.429 2.005 -7.714 1.00 0.00 H new ATOM 0 HE1 PHE A 464 -10.270 1.391 -6.777 1.00 0.00 H new ATOM 0 HE2 PHE A 464 -6.156 0.778 -5.681 1.00 0.00 H new ATOM 0 HZ PHE A 464 -8.576 0.505 -5.188 1.00 0.00 H new ATOM 465 N GLY A 465 -6.207 2.410 -13.099 1.00 0.00 N ATOM 466 CA GLY A 465 -5.565 2.993 -14.285 1.00 0.00 C ATOM 467 C GLY A 465 -4.030 2.897 -14.228 1.00 0.00 C ATOM 468 O GLY A 465 -3.491 2.390 -13.241 1.00 0.00 O ATOM 0 H GLY A 465 -5.945 1.434 -12.960 1.00 0.00 H new ATOM 0 HA2 GLY A 465 -5.925 2.482 -15.178 1.00 0.00 H new ATOM 0 HA3 GLY A 465 -5.858 4.039 -14.376 1.00 0.00 H new ATOM 472 N PRO A 466 -3.316 3.349 -15.280 1.00 0.00 N ATOM 473 CA PRO A 466 -1.859 3.263 -15.360 1.00 0.00 C ATOM 474 C PRO A 466 -1.158 4.095 -14.279 1.00 0.00 C ATOM 475 O PRO A 466 -1.644 5.156 -13.881 1.00 0.00 O ATOM 476 CB PRO A 466 -1.479 3.733 -16.772 1.00 0.00 C ATOM 477 CG PRO A 466 -2.767 3.560 -17.575 1.00 0.00 C ATOM 478 CD PRO A 466 -3.853 3.843 -16.541 1.00 0.00 C ATOM 0 HA PRO A 466 -1.529 2.240 -15.180 1.00 0.00 H new ATOM 0 HB2 PRO A 466 -1.145 4.770 -16.771 1.00 0.00 H new ATOM 0 HB3 PRO A 466 -0.666 3.136 -17.187 1.00 0.00 H new ATOM 0 HG2 PRO A 466 -2.817 4.254 -18.414 1.00 0.00 H new ATOM 0 HG3 PRO A 466 -2.854 2.555 -17.988 1.00 0.00 H new ATOM 0 HD2 PRO A 466 -4.075 4.909 -16.484 1.00 0.00 H new ATOM 0 HD3 PRO A 466 -4.783 3.337 -16.798 1.00 0.00 H new ATOM 486 N LEU A 467 0.005 3.613 -13.828 1.00 0.00 N ATOM 487 CA LEU A 467 0.823 4.220 -12.776 1.00 0.00 C ATOM 488 C LEU A 467 2.288 3.751 -12.823 1.00 0.00 C ATOM 489 O LEU A 467 2.612 2.774 -13.502 1.00 0.00 O ATOM 490 CB LEU A 467 0.193 3.947 -11.384 1.00 0.00 C ATOM 491 CG LEU A 467 0.389 2.526 -10.799 1.00 0.00 C ATOM 492 CD1 LEU A 467 0.138 2.554 -9.291 1.00 0.00 C ATOM 493 CD2 LEU A 467 -0.540 1.485 -11.432 1.00 0.00 C ATOM 0 H LEU A 467 0.417 2.757 -14.201 1.00 0.00 H new ATOM 0 HA LEU A 467 0.838 5.295 -12.954 1.00 0.00 H new ATOM 0 HB2 LEU A 467 0.606 4.666 -10.677 1.00 0.00 H new ATOM 0 HB3 LEU A 467 -0.877 4.143 -11.450 1.00 0.00 H new ATOM 0 HG LEU A 467 1.415 2.233 -11.023 1.00 0.00 H new ATOM 0 HD11 LEU A 467 0.276 1.554 -8.881 1.00 0.00 H new ATOM 0 HD12 LEU A 467 0.840 3.241 -8.818 1.00 0.00 H new ATOM 0 HD13 LEU A 467 -0.882 2.888 -9.098 1.00 0.00 H new ATOM 0 HD21 LEU A 467 -0.355 0.510 -10.981 1.00 0.00 H new ATOM 0 HD22 LEU A 467 -1.578 1.772 -11.262 1.00 0.00 H new ATOM 0 HD23 LEU A 467 -0.349 1.431 -12.504 1.00 0.00 H new ATOM 505 N VAL A 468 3.143 4.411 -12.038 1.00 0.00 N ATOM 506 CA VAL A 468 4.517 3.983 -11.713 1.00 0.00 C ATOM 507 C VAL A 468 4.729 4.078 -10.192 1.00 0.00 C ATOM 508 O VAL A 468 4.010 4.815 -9.516 1.00 0.00 O ATOM 509 CB VAL A 468 5.586 4.758 -12.531 1.00 0.00 C ATOM 510 CG1 VAL A 468 5.942 6.144 -12.001 1.00 0.00 C ATOM 511 CG2 VAL A 468 6.863 3.922 -12.691 1.00 0.00 C ATOM 0 H VAL A 468 2.893 5.293 -11.591 1.00 0.00 H new ATOM 0 HA VAL A 468 4.646 2.942 -12.009 1.00 0.00 H new ATOM 0 HB VAL A 468 5.112 4.928 -13.498 1.00 0.00 H new ATOM 0 HG11 VAL A 468 6.696 6.597 -12.645 1.00 0.00 H new ATOM 0 HG12 VAL A 468 5.050 6.770 -11.991 1.00 0.00 H new ATOM 0 HG13 VAL A 468 6.335 6.056 -10.988 1.00 0.00 H new ATOM 0 HG21 VAL A 468 7.597 4.485 -13.267 1.00 0.00 H new ATOM 0 HG22 VAL A 468 7.273 3.692 -11.708 1.00 0.00 H new ATOM 0 HG23 VAL A 468 6.627 2.994 -13.212 1.00 0.00 H new ATOM 521 N VAL A 469 5.688 3.322 -9.650 1.00 0.00 N ATOM 522 CA VAL A 469 5.940 3.187 -8.201 1.00 0.00 C ATOM 523 C VAL A 469 7.361 3.662 -7.867 1.00 0.00 C ATOM 524 O VAL A 469 8.316 3.347 -8.577 1.00 0.00 O ATOM 525 CB VAL A 469 5.709 1.729 -7.736 1.00 0.00 C ATOM 526 CG1 VAL A 469 6.005 1.534 -6.239 1.00 0.00 C ATOM 527 CG2 VAL A 469 4.256 1.296 -8.002 1.00 0.00 C ATOM 0 H VAL A 469 6.331 2.770 -10.217 1.00 0.00 H new ATOM 0 HA VAL A 469 5.234 3.818 -7.661 1.00 0.00 H new ATOM 0 HB VAL A 469 6.402 1.115 -8.311 1.00 0.00 H new ATOM 0 HG11 VAL A 469 5.827 0.494 -5.965 1.00 0.00 H new ATOM 0 HG12 VAL A 469 7.045 1.789 -6.038 1.00 0.00 H new ATOM 0 HG13 VAL A 469 5.353 2.180 -5.652 1.00 0.00 H new ATOM 0 HG21 VAL A 469 4.116 0.268 -7.668 1.00 0.00 H new ATOM 0 HG22 VAL A 469 3.576 1.951 -7.457 1.00 0.00 H new ATOM 0 HG23 VAL A 469 4.046 1.362 -9.070 1.00 0.00 H new ATOM 537 N ASP A 470 7.484 4.428 -6.781 1.00 0.00 N ATOM 538 CA ASP A 470 8.691 5.148 -6.358 1.00 0.00 C ATOM 539 C ASP A 470 8.801 5.211 -4.818 1.00 0.00 C ATOM 540 O ASP A 470 7.818 5.001 -4.109 1.00 0.00 O ATOM 541 CB ASP A 470 8.645 6.555 -6.983 1.00 0.00 C ATOM 542 CG ASP A 470 9.916 7.377 -6.710 1.00 0.00 C ATOM 543 OD1 ASP A 470 11.016 6.911 -7.088 1.00 0.00 O ATOM 544 OD2 ASP A 470 9.805 8.482 -6.129 1.00 0.00 O ATOM 0 H ASP A 470 6.705 4.571 -6.138 1.00 0.00 H new ATOM 0 HA ASP A 470 9.580 4.620 -6.703 1.00 0.00 H new ATOM 0 HB2 ASP A 470 8.503 6.463 -8.060 1.00 0.00 H new ATOM 0 HB3 ASP A 470 7.781 7.092 -6.592 1.00 0.00 H new ATOM 786 N GLY A 485 8.532 -0.449 4.808 1.00 0.00 N ATOM 787 CA GLY A 485 7.126 -0.827 4.613 1.00 0.00 C ATOM 788 C GLY A 485 6.265 0.267 3.975 1.00 0.00 C ATOM 789 O GLY A 485 5.054 0.269 4.186 1.00 0.00 O ATOM 0 HA2 GLY A 485 7.084 -1.718 3.987 1.00 0.00 H new ATOM 0 HA3 GLY A 485 6.696 -1.095 5.578 1.00 0.00 H new ATOM 793 N TYR A 486 6.844 1.190 3.199 1.00 0.00 N ATOM 794 CA TYR A 486 6.093 2.266 2.532 1.00 0.00 C ATOM 795 C TYR A 486 6.630 2.662 1.143 1.00 0.00 C ATOM 796 O TYR A 486 7.791 2.417 0.809 1.00 0.00 O ATOM 797 CB TYR A 486 5.955 3.478 3.470 1.00 0.00 C ATOM 798 CG TYR A 486 7.238 4.129 3.960 1.00 0.00 C ATOM 799 CD1 TYR A 486 8.029 4.911 3.092 1.00 0.00 C ATOM 800 CD2 TYR A 486 7.599 4.017 5.318 1.00 0.00 C ATOM 801 CE1 TYR A 486 9.186 5.556 3.571 1.00 0.00 C ATOM 802 CE2 TYR A 486 8.739 4.680 5.808 1.00 0.00 C ATOM 803 CZ TYR A 486 9.545 5.443 4.934 1.00 0.00 C ATOM 804 OH TYR A 486 10.656 6.074 5.410 1.00 0.00 O ATOM 0 H TYR A 486 7.847 1.214 3.014 1.00 0.00 H new ATOM 0 HA TYR A 486 5.102 1.862 2.324 1.00 0.00 H new ATOM 0 HB2 TYR A 486 5.366 4.238 2.956 1.00 0.00 H new ATOM 0 HB3 TYR A 486 5.380 3.166 4.342 1.00 0.00 H new ATOM 0 HD1 TYR A 486 7.746 5.016 2.055 1.00 0.00 H new ATOM 0 HD2 TYR A 486 6.997 3.419 5.986 1.00 0.00 H new ATOM 0 HE1 TYR A 486 9.799 6.137 2.897 1.00 0.00 H new ATOM 0 HE2 TYR A 486 8.998 4.606 6.854 1.00 0.00 H new ATOM 0 HH TYR A 486 10.752 5.890 6.368 1.00 0.00 H new ATOM 814 N ALA A 487 5.765 3.286 0.332 1.00 0.00 N ATOM 815 CA ALA A 487 6.036 3.702 -1.045 1.00 0.00 C ATOM 816 C ALA A 487 5.108 4.845 -1.496 1.00 0.00 C ATOM 817 O ALA A 487 4.116 5.163 -0.833 1.00 0.00 O ATOM 818 CB ALA A 487 5.892 2.474 -1.961 1.00 0.00 C ATOM 0 H ALA A 487 4.820 3.523 0.633 1.00 0.00 H new ATOM 0 HA ALA A 487 7.051 4.094 -1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 487 6.090 2.764 -2.993 1.00 0.00 H new ATOM 0 HB2 ALA A 487 6.604 1.707 -1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 487 4.879 2.079 -1.884 1.00 0.00 H new ATOM 824 N PHE A 488 5.421 5.422 -2.657 1.00 0.00 N ATOM 825 CA PHE A 488 4.616 6.406 -3.374 1.00 0.00 C ATOM 826 C PHE A 488 4.187 5.849 -4.737 1.00 0.00 C ATOM 827 O PHE A 488 5.006 5.384 -5.531 1.00 0.00 O ATOM 828 CB PHE A 488 5.417 7.702 -3.570 1.00 0.00 C ATOM 829 CG PHE A 488 5.740 8.459 -2.298 1.00 0.00 C ATOM 830 CD1 PHE A 488 4.760 9.269 -1.692 1.00 0.00 C ATOM 831 CD2 PHE A 488 7.030 8.388 -1.739 1.00 0.00 C ATOM 832 CE1 PHE A 488 5.078 10.021 -0.548 1.00 0.00 C ATOM 833 CE2 PHE A 488 7.343 9.130 -0.586 1.00 0.00 C ATOM 834 CZ PHE A 488 6.368 9.952 0.007 1.00 0.00 C ATOM 0 H PHE A 488 6.289 5.203 -3.146 1.00 0.00 H new ATOM 0 HA PHE A 488 3.725 6.623 -2.784 1.00 0.00 H new ATOM 0 HB2 PHE A 488 6.351 7.460 -4.077 1.00 0.00 H new ATOM 0 HB3 PHE A 488 4.856 8.360 -4.233 1.00 0.00 H new ATOM 0 HD1 PHE A 488 3.764 9.312 -2.107 1.00 0.00 H new ATOM 0 HD2 PHE A 488 7.782 7.762 -2.197 1.00 0.00 H new ATOM 0 HE1 PHE A 488 4.330 10.654 -0.094 1.00 0.00 H new ATOM 0 HE2 PHE A 488 8.332 9.069 -0.156 1.00 0.00 H new ATOM 0 HZ PHE A 488 6.610 10.529 0.887 1.00 0.00 H new ATOM 844 N LEU A 489 2.889 5.943 -5.016 1.00 0.00 N ATOM 845 CA LEU A 489 2.276 5.689 -6.316 1.00 0.00 C ATOM 846 C LEU A 489 2.184 7.008 -7.080 1.00 0.00 C ATOM 847 O LEU A 489 1.843 8.035 -6.486 1.00 0.00 O ATOM 848 CB LEU A 489 0.857 5.121 -6.121 1.00 0.00 C ATOM 849 CG LEU A 489 0.715 3.954 -5.128 1.00 0.00 C ATOM 850 CD1 LEU A 489 -0.765 3.579 -5.031 1.00 0.00 C ATOM 851 CD2 LEU A 489 1.546 2.729 -5.521 1.00 0.00 C ATOM 0 H LEU A 489 2.205 6.211 -4.308 1.00 0.00 H new ATOM 0 HA LEU A 489 2.879 4.970 -6.871 1.00 0.00 H new ATOM 0 HB2 LEU A 489 0.208 5.931 -5.790 1.00 0.00 H new ATOM 0 HB3 LEU A 489 0.485 4.791 -7.091 1.00 0.00 H new ATOM 0 HG LEU A 489 1.098 4.284 -4.162 1.00 0.00 H new ATOM 0 HD11 LEU A 489 -0.886 2.752 -4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 489 -1.336 4.439 -4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 489 -1.129 3.278 -6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 489 1.404 1.940 -4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 489 1.226 2.371 -6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 489 2.600 3.002 -5.561 1.00 0.00 H new ATOM 863 N LEU A 490 2.434 6.969 -8.387 1.00 0.00 N ATOM 864 CA LEU A 490 2.277 8.084 -9.322 1.00 0.00 C ATOM 865 C LEU A 490 1.355 7.626 -10.458 1.00 0.00 C ATOM 866 O LEU A 490 1.769 6.812 -11.287 1.00 0.00 O ATOM 867 CB LEU A 490 3.650 8.479 -9.897 1.00 0.00 C ATOM 868 CG LEU A 490 4.790 8.802 -8.918 1.00 0.00 C ATOM 869 CD1 LEU A 490 6.060 9.058 -9.745 1.00 0.00 C ATOM 870 CD2 LEU A 490 4.462 10.014 -8.036 1.00 0.00 C ATOM 0 H LEU A 490 2.767 6.121 -8.845 1.00 0.00 H new ATOM 0 HA LEU A 490 1.850 8.947 -8.811 1.00 0.00 H new ATOM 0 HB2 LEU A 490 3.986 7.666 -10.541 1.00 0.00 H new ATOM 0 HB3 LEU A 490 3.504 9.351 -10.535 1.00 0.00 H new ATOM 0 HG LEU A 490 4.936 7.960 -8.241 1.00 0.00 H new ATOM 0 HD11 LEU A 490 6.889 9.291 -9.076 1.00 0.00 H new ATOM 0 HD12 LEU A 490 6.301 8.168 -10.326 1.00 0.00 H new ATOM 0 HD13 LEU A 490 5.892 9.897 -10.420 1.00 0.00 H new ATOM 0 HD21 LEU A 490 5.294 10.207 -7.359 1.00 0.00 H new ATOM 0 HD22 LEU A 490 4.296 10.888 -8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 490 3.562 9.809 -7.456 1.00 0.00 H new ATOM 882 N PHE A 491 0.115 8.117 -10.490 1.00 0.00 N ATOM 883 CA PHE A 491 -0.895 7.721 -11.478 1.00 0.00 C ATOM 884 C PHE A 491 -0.841 8.574 -12.759 1.00 0.00 C ATOM 885 O PHE A 491 -0.299 9.681 -12.777 1.00 0.00 O ATOM 886 CB PHE A 491 -2.286 7.764 -10.828 1.00 0.00 C ATOM 887 CG PHE A 491 -2.525 6.685 -9.784 1.00 0.00 C ATOM 888 CD1 PHE A 491 -3.064 5.438 -10.160 1.00 0.00 C ATOM 889 CD2 PHE A 491 -2.218 6.927 -8.431 1.00 0.00 C ATOM 890 CE1 PHE A 491 -3.297 4.449 -9.191 1.00 0.00 C ATOM 891 CE2 PHE A 491 -2.471 5.943 -7.459 1.00 0.00 C ATOM 892 CZ PHE A 491 -3.015 4.705 -7.838 1.00 0.00 C ATOM 0 H PHE A 491 -0.222 8.810 -9.822 1.00 0.00 H new ATOM 0 HA PHE A 491 -0.677 6.701 -11.795 1.00 0.00 H new ATOM 0 HB2 PHE A 491 -2.426 8.740 -10.363 1.00 0.00 H new ATOM 0 HB3 PHE A 491 -3.041 7.671 -11.608 1.00 0.00 H new ATOM 0 HD1 PHE A 491 -3.298 5.243 -11.196 1.00 0.00 H new ATOM 0 HD2 PHE A 491 -1.786 7.873 -8.139 1.00 0.00 H new ATOM 0 HE1 PHE A 491 -3.694 3.489 -9.486 1.00 0.00 H new ATOM 0 HE2 PHE A 491 -2.247 6.139 -6.421 1.00 0.00 H new ATOM 0 HZ PHE A 491 -3.216 3.951 -7.091 1.00 0.00 H new ATOM 902 N GLN A 492 -1.438 8.064 -13.839 1.00 0.00 N ATOM 903 CA GLN A 492 -1.528 8.748 -15.135 1.00 0.00 C ATOM 904 C GLN A 492 -2.585 9.868 -15.153 1.00 0.00 C ATOM 905 O GLN A 492 -2.425 10.841 -15.891 1.00 0.00 O ATOM 906 CB GLN A 492 -1.811 7.683 -16.210 1.00 0.00 C ATOM 907 CG GLN A 492 -1.905 8.195 -17.660 1.00 0.00 C ATOM 908 CD GLN A 492 -0.629 8.888 -18.148 1.00 0.00 C ATOM 909 OE1 GLN A 492 0.264 8.280 -18.727 1.00 0.00 O ATOM 910 NE2 GLN A 492 -0.489 10.181 -17.934 1.00 0.00 N ATOM 0 H GLN A 492 -1.882 7.146 -13.839 1.00 0.00 H new ATOM 0 HA GLN A 492 -0.582 9.251 -15.337 1.00 0.00 H new ATOM 0 HB2 GLN A 492 -1.025 6.929 -16.162 1.00 0.00 H new ATOM 0 HB3 GLN A 492 -2.747 7.184 -15.961 1.00 0.00 H new ATOM 0 HG2 GLN A 492 -2.128 7.356 -18.319 1.00 0.00 H new ATOM 0 HG3 GLN A 492 -2.740 8.892 -17.737 1.00 0.00 H new ATOM 0 HE21 GLN A 492 -1.223 10.701 -17.454 1.00 0.00 H new ATOM 0 HE22 GLN A 492 0.354 10.662 -18.249 1.00 0.00 H new ATOM 919 N GLU A 493 -3.628 9.770 -14.323 1.00 0.00 N ATOM 920 CA GLU A 493 -4.706 10.760 -14.193 1.00 0.00 C ATOM 921 C GLU A 493 -5.124 10.911 -12.722 1.00 0.00 C ATOM 922 O GLU A 493 -5.142 9.931 -11.975 1.00 0.00 O ATOM 923 CB GLU A 493 -5.930 10.349 -15.035 1.00 0.00 C ATOM 924 CG GLU A 493 -5.655 10.327 -16.544 1.00 0.00 C ATOM 925 CD GLU A 493 -6.946 10.090 -17.341 1.00 0.00 C ATOM 926 OE1 GLU A 493 -7.308 8.915 -17.586 1.00 0.00 O ATOM 927 OE2 GLU A 493 -7.604 11.081 -17.740 1.00 0.00 O ATOM 0 H GLU A 493 -3.751 8.971 -13.700 1.00 0.00 H new ATOM 0 HA GLU A 493 -4.329 11.715 -14.559 1.00 0.00 H new ATOM 0 HB2 GLU A 493 -6.262 9.360 -14.720 1.00 0.00 H new ATOM 0 HB3 GLU A 493 -6.749 11.040 -14.833 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -5.205 11.272 -16.848 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -4.934 9.543 -16.773 1.00 0.00 H new ATOM 934 N GLU A 494 -5.513 12.121 -12.302 1.00 0.00 N ATOM 935 CA GLU A 494 -6.100 12.342 -10.968 1.00 0.00 C ATOM 936 C GLU A 494 -7.390 11.524 -10.781 1.00 0.00 C ATOM 937 O GLU A 494 -7.663 11.039 -9.686 1.00 0.00 O ATOM 938 CB GLU A 494 -6.394 13.832 -10.729 1.00 0.00 C ATOM 939 CG GLU A 494 -5.136 14.658 -10.442 1.00 0.00 C ATOM 940 CD GLU A 494 -5.507 16.099 -10.066 1.00 0.00 C ATOM 941 OE1 GLU A 494 -6.042 16.308 -8.952 1.00 0.00 O ATOM 942 OE2 GLU A 494 -5.268 17.020 -10.880 1.00 0.00 O ATOM 0 H GLU A 494 -5.433 12.967 -12.866 1.00 0.00 H new ATOM 0 HA GLU A 494 -5.365 12.007 -10.237 1.00 0.00 H new ATOM 0 HB2 GLU A 494 -6.897 14.241 -11.605 1.00 0.00 H new ATOM 0 HB3 GLU A 494 -7.084 13.929 -9.891 1.00 0.00 H new ATOM 0 HG2 GLU A 494 -4.571 14.199 -9.631 1.00 0.00 H new ATOM 0 HG3 GLU A 494 -4.489 14.661 -11.319 1.00 0.00 H new ATOM 949 N SER A 495 -8.131 11.256 -11.860 1.00 0.00 N ATOM 950 CA SER A 495 -9.288 10.352 -11.867 1.00 0.00 C ATOM 951 C SER A 495 -8.957 8.943 -11.341 1.00 0.00 C ATOM 952 O SER A 495 -9.813 8.298 -10.738 1.00 0.00 O ATOM 953 CB SER A 495 -9.854 10.244 -13.291 1.00 0.00 C ATOM 954 OG SER A 495 -10.114 11.530 -13.842 1.00 0.00 O ATOM 0 H SER A 495 -7.940 11.669 -12.773 1.00 0.00 H new ATOM 0 HA SER A 495 -10.027 10.782 -11.191 1.00 0.00 H new ATOM 0 HB2 SER A 495 -9.147 9.710 -13.926 1.00 0.00 H new ATOM 0 HB3 SER A 495 -10.774 9.660 -13.276 1.00 0.00 H new ATOM 0 HG SER A 495 -10.472 11.431 -14.749 1.00 0.00 H new ATOM 960 N SER A 496 -7.711 8.475 -11.475 1.00 0.00 N ATOM 961 CA SER A 496 -7.258 7.207 -10.885 1.00 0.00 C ATOM 962 C SER A 496 -7.054 7.318 -9.365 1.00 0.00 C ATOM 963 O SER A 496 -7.256 6.342 -8.644 1.00 0.00 O ATOM 964 CB SER A 496 -5.937 6.763 -11.528 1.00 0.00 C ATOM 965 OG SER A 496 -6.001 6.723 -12.947 1.00 0.00 O ATOM 0 H SER A 496 -6.985 8.965 -11.997 1.00 0.00 H new ATOM 0 HA SER A 496 -8.039 6.471 -11.077 1.00 0.00 H new ATOM 0 HB2 SER A 496 -5.143 7.445 -11.224 1.00 0.00 H new ATOM 0 HB3 SER A 496 -5.670 5.775 -11.153 1.00 0.00 H new ATOM 0 HG SER A 496 -6.463 5.907 -13.231 1.00 0.00 H new ATOM 971 N VAL A 497 -6.722 8.510 -8.857 1.00 0.00 N ATOM 972 CA VAL A 497 -6.610 8.770 -7.413 1.00 0.00 C ATOM 973 C VAL A 497 -8.006 8.929 -6.804 1.00 0.00 C ATOM 974 O VAL A 497 -8.258 8.398 -5.728 1.00 0.00 O ATOM 975 CB VAL A 497 -5.714 9.989 -7.093 1.00 0.00 C ATOM 976 CG1 VAL A 497 -5.595 10.207 -5.574 1.00 0.00 C ATOM 977 CG2 VAL A 497 -4.307 9.785 -7.680 1.00 0.00 C ATOM 0 H VAL A 497 -6.522 9.326 -9.436 1.00 0.00 H new ATOM 0 HA VAL A 497 -6.119 7.909 -6.960 1.00 0.00 H new ATOM 0 HB VAL A 497 -6.179 10.867 -7.542 1.00 0.00 H new ATOM 0 HG11 VAL A 497 -4.959 11.071 -5.379 1.00 0.00 H new ATOM 0 HG12 VAL A 497 -6.585 10.383 -5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 497 -5.156 9.322 -5.113 1.00 0.00 H new ATOM 0 HG21 VAL A 497 -3.687 10.651 -7.447 1.00 0.00 H new ATOM 0 HG22 VAL A 497 -3.859 8.890 -7.248 1.00 0.00 H new ATOM 0 HG23 VAL A 497 -4.377 9.669 -8.762 1.00 0.00 H new ATOM 987 N GLN A 498 -8.951 9.554 -7.515 1.00 0.00 N ATOM 988 CA GLN A 498 -10.360 9.570 -7.117 1.00 0.00 C ATOM 989 C GLN A 498 -10.962 8.158 -7.117 1.00 0.00 C ATOM 990 O GLN A 498 -11.696 7.818 -6.190 1.00 0.00 O ATOM 991 CB GLN A 498 -11.136 10.490 -8.074 1.00 0.00 C ATOM 992 CG GLN A 498 -12.659 10.531 -7.844 1.00 0.00 C ATOM 993 CD GLN A 498 -13.059 11.065 -6.469 1.00 0.00 C ATOM 994 OE1 GLN A 498 -13.317 12.247 -6.291 1.00 0.00 O ATOM 995 NE2 GLN A 498 -13.135 10.227 -5.455 1.00 0.00 N ATOM 0 H GLN A 498 -8.760 10.061 -8.379 1.00 0.00 H new ATOM 0 HA GLN A 498 -10.435 9.949 -6.098 1.00 0.00 H new ATOM 0 HB2 GLN A 498 -10.742 11.502 -7.981 1.00 0.00 H new ATOM 0 HB3 GLN A 498 -10.947 10.167 -9.098 1.00 0.00 H new ATOM 0 HG2 GLN A 498 -13.117 11.153 -8.613 1.00 0.00 H new ATOM 0 HG3 GLN A 498 -13.063 9.526 -7.965 1.00 0.00 H new ATOM 0 HE21 GLN A 498 -12.922 9.239 -5.593 1.00 0.00 H new ATOM 0 HE22 GLN A 498 -13.407 10.566 -4.532 1.00 0.00 H new ATOM 1004 N ALA A 499 -10.643 7.325 -8.113 1.00 0.00 N ATOM 1005 CA ALA A 499 -11.071 5.923 -8.153 1.00 0.00 C ATOM 1006 C ALA A 499 -10.511 5.106 -6.975 1.00 0.00 C ATOM 1007 O ALA A 499 -11.225 4.271 -6.415 1.00 0.00 O ATOM 1008 CB ALA A 499 -10.658 5.303 -9.492 1.00 0.00 C ATOM 0 H ALA A 499 -10.079 7.605 -8.916 1.00 0.00 H new ATOM 0 HA ALA A 499 -12.157 5.899 -8.058 1.00 0.00 H new ATOM 0 HB1 ALA A 499 -10.975 4.261 -9.524 1.00 0.00 H new ATOM 0 HB2 ALA A 499 -11.130 5.851 -10.308 1.00 0.00 H new ATOM 0 HB3 ALA A 499 -9.575 5.356 -9.599 1.00 0.00 H new ATOM 1014 N LEU A 500 -9.266 5.381 -6.564 1.00 0.00 N ATOM 1015 CA LEU A 500 -8.677 4.820 -5.350 1.00 0.00 C ATOM 1016 C LEU A 500 -9.418 5.310 -4.097 1.00 0.00 C ATOM 1017 O LEU A 500 -9.818 4.494 -3.273 1.00 0.00 O ATOM 1018 CB LEU A 500 -7.166 5.129 -5.338 1.00 0.00 C ATOM 1019 CG LEU A 500 -6.428 4.814 -4.020 1.00 0.00 C ATOM 1020 CD1 LEU A 500 -6.587 3.358 -3.572 1.00 0.00 C ATOM 1021 CD2 LEU A 500 -4.934 5.116 -4.204 1.00 0.00 C ATOM 0 H LEU A 500 -8.638 6.004 -7.071 1.00 0.00 H new ATOM 0 HA LEU A 500 -8.790 3.736 -5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -6.692 4.565 -6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -7.028 6.186 -5.566 1.00 0.00 H new ATOM 0 HG LEU A 500 -6.872 5.439 -3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -6.044 3.203 -2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -7.643 3.138 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -6.187 2.695 -4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -4.402 4.897 -3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -4.534 4.498 -5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -4.804 6.168 -4.457 1.00 0.00 H new ATOM 1033 N ILE A 501 -9.669 6.618 -3.970 1.00 0.00 N ATOM 1034 CA ILE A 501 -10.436 7.218 -2.857 1.00 0.00 C ATOM 1035 C ILE A 501 -11.829 6.575 -2.732 1.00 0.00 C ATOM 1036 O ILE A 501 -12.260 6.246 -1.627 1.00 0.00 O ATOM 1037 CB ILE A 501 -10.520 8.757 -3.031 1.00 0.00 C ATOM 1038 CG1 ILE A 501 -9.134 9.415 -2.835 1.00 0.00 C ATOM 1039 CG2 ILE A 501 -11.528 9.380 -2.043 1.00 0.00 C ATOM 1040 CD1 ILE A 501 -9.015 10.834 -3.404 1.00 0.00 C ATOM 0 H ILE A 501 -9.342 7.307 -4.647 1.00 0.00 H new ATOM 0 HA ILE A 501 -9.911 7.017 -1.923 1.00 0.00 H new ATOM 0 HB ILE A 501 -10.863 8.946 -4.048 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -8.908 9.445 -1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -8.378 8.785 -3.304 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -11.563 10.459 -2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -12.517 8.958 -2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 501 -11.217 9.164 -1.021 1.00 0.00 H new ATOM 0 HD11 ILE A 501 -8.011 11.216 -3.221 1.00 0.00 H new ATOM 0 HD12 ILE A 501 -9.206 10.813 -4.477 1.00 0.00 H new ATOM 0 HD13 ILE A 501 -9.744 11.483 -2.919 1.00 0.00 H new ATOM 1052 N ASP A 502 -12.509 6.337 -3.856 1.00 0.00 N ATOM 1053 CA ASP A 502 -13.833 5.704 -3.919 1.00 0.00 C ATOM 1054 C ASP A 502 -13.821 4.205 -3.539 1.00 0.00 C ATOM 1055 O ASP A 502 -14.865 3.651 -3.191 1.00 0.00 O ATOM 1056 CB ASP A 502 -14.408 5.922 -5.327 1.00 0.00 C ATOM 1057 CG ASP A 502 -15.870 5.461 -5.455 1.00 0.00 C ATOM 1058 OD1 ASP A 502 -16.755 6.089 -4.824 1.00 0.00 O ATOM 1059 OD2 ASP A 502 -16.136 4.500 -6.217 1.00 0.00 O ATOM 0 H ASP A 502 -12.145 6.586 -4.776 1.00 0.00 H new ATOM 0 HA ASP A 502 -14.470 6.176 -3.171 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -14.342 6.980 -5.581 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -13.797 5.382 -6.051 1.00 0.00 H new ATOM 1064 N ALA A 503 -12.646 3.562 -3.551 1.00 0.00 N ATOM 1065 CA ALA A 503 -12.439 2.176 -3.123 1.00 0.00 C ATOM 1066 C ALA A 503 -11.857 2.057 -1.699 1.00 0.00 C ATOM 1067 O ALA A 503 -11.894 0.968 -1.117 1.00 0.00 O ATOM 1068 CB ALA A 503 -11.537 1.492 -4.156 1.00 0.00 C ATOM 0 H ALA A 503 -11.786 4.009 -3.870 1.00 0.00 H new ATOM 0 HA ALA A 503 -13.408 1.680 -3.072 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -11.366 0.457 -3.861 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -12.019 1.516 -5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -10.583 2.016 -4.209 1.00 0.00 H new ATOM 1074 N CYS A 504 -11.342 3.148 -1.120 1.00 0.00 N ATOM 1075 CA CYS A 504 -10.744 3.147 0.215 1.00 0.00 C ATOM 1076 C CYS A 504 -11.784 3.068 1.347 1.00 0.00 C ATOM 1077 O CYS A 504 -12.881 3.630 1.267 1.00 0.00 O ATOM 1078 CB CYS A 504 -9.884 4.409 0.413 1.00 0.00 C ATOM 1079 SG CYS A 504 -8.325 4.298 -0.505 1.00 0.00 S ATOM 0 H CYS A 504 -11.330 4.063 -1.571 1.00 0.00 H new ATOM 0 HA CYS A 504 -10.129 2.249 0.272 1.00 0.00 H new ATOM 0 HB2 CYS A 504 -10.441 5.286 0.083 1.00 0.00 H new ATOM 0 HB3 CYS A 504 -9.674 4.545 1.474 1.00 0.00 H new ATOM 0 HG CYS A 504 -8.566 4.369 -1.780 1.00 0.00 H new ATOM 1085 N LEU A 505 -11.389 2.400 2.432 1.00 0.00 N ATOM 1086 CA LEU A 505 -12.052 2.439 3.738 1.00 0.00 C ATOM 1087 C LEU A 505 -11.549 3.685 4.490 1.00 0.00 C ATOM 1088 O LEU A 505 -10.620 4.355 4.034 1.00 0.00 O ATOM 1089 CB LEU A 505 -11.741 1.143 4.515 1.00 0.00 C ATOM 1090 CG LEU A 505 -12.274 -0.142 3.855 1.00 0.00 C ATOM 1091 CD1 LEU A 505 -11.748 -1.367 4.617 1.00 0.00 C ATOM 1092 CD2 LEU A 505 -13.810 -0.181 3.809 1.00 0.00 C ATOM 0 H LEU A 505 -10.568 1.794 2.426 1.00 0.00 H new ATOM 0 HA LEU A 505 -13.134 2.502 3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 505 -10.661 1.055 4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 505 -12.164 1.224 5.516 1.00 0.00 H new ATOM 0 HG LEU A 505 -11.917 -0.155 2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 505 -12.126 -2.276 4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 505 -10.658 -1.371 4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 505 -12.086 -1.324 5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 505 -14.136 -1.106 3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 505 -14.206 -0.134 4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 505 -14.179 0.670 3.236 1.00 0.00 H new ATOM 1104 N GLU A 506 -12.130 3.985 5.650 1.00 0.00 N ATOM 1105 CA GLU A 506 -11.824 5.196 6.425 1.00 0.00 C ATOM 1106 C GLU A 506 -11.913 4.933 7.936 1.00 0.00 C ATOM 1107 O GLU A 506 -12.866 4.308 8.406 1.00 0.00 O ATOM 1108 CB GLU A 506 -12.772 6.331 5.994 1.00 0.00 C ATOM 1109 CG GLU A 506 -12.421 7.682 6.634 1.00 0.00 C ATOM 1110 CD GLU A 506 -13.396 8.776 6.172 1.00 0.00 C ATOM 1111 OE1 GLU A 506 -14.506 8.881 6.747 1.00 0.00 O ATOM 1112 OE2 GLU A 506 -13.057 9.545 5.241 1.00 0.00 O ATOM 0 H GLU A 506 -12.835 3.391 6.087 1.00 0.00 H new ATOM 0 HA GLU A 506 -10.797 5.497 6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 506 -12.741 6.430 4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 506 -13.795 6.064 6.261 1.00 0.00 H new ATOM 0 HG2 GLU A 506 -12.454 7.594 7.720 1.00 0.00 H new ATOM 0 HG3 GLU A 506 -11.402 7.961 6.368 1.00 0.00 H new ATOM 1175 N LEU A 511 -7.288 6.977 5.418 1.00 0.00 N ATOM 1176 CA LEU A 511 -7.845 6.058 4.411 1.00 0.00 C ATOM 1177 C LEU A 511 -7.054 4.743 4.367 1.00 0.00 C ATOM 1178 O LEU A 511 -5.867 4.720 4.691 1.00 0.00 O ATOM 1179 CB LEU A 511 -7.861 6.730 3.023 1.00 0.00 C ATOM 1180 CG LEU A 511 -8.779 7.958 2.870 1.00 0.00 C ATOM 1181 CD1 LEU A 511 -8.625 8.525 1.450 1.00 0.00 C ATOM 1182 CD2 LEU A 511 -10.255 7.620 3.126 1.00 0.00 C ATOM 0 HA LEU A 511 -8.870 5.822 4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 511 -6.843 7.031 2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 511 -8.160 5.985 2.286 1.00 0.00 H new ATOM 0 HG LEU A 511 -8.478 8.693 3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 511 -9.272 9.395 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 511 -7.588 8.819 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 511 -8.906 7.764 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 511 -10.860 8.519 3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 511 -10.584 6.863 2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 511 -10.370 7.238 4.140 1.00 0.00 H new ATOM 1194 N TYR A 512 -7.695 3.653 3.933 1.00 0.00 N ATOM 1195 CA TYR A 512 -7.080 2.319 3.843 1.00 0.00 C ATOM 1196 C TYR A 512 -7.539 1.502 2.623 1.00 0.00 C ATOM 1197 O TYR A 512 -8.689 1.585 2.196 1.00 0.00 O ATOM 1198 CB TYR A 512 -7.352 1.503 5.121 1.00 0.00 C ATOM 1199 CG TYR A 512 -6.743 2.050 6.396 1.00 0.00 C ATOM 1200 CD1 TYR A 512 -7.439 3.009 7.158 1.00 0.00 C ATOM 1201 CD2 TYR A 512 -5.493 1.574 6.840 1.00 0.00 C ATOM 1202 CE1 TYR A 512 -6.885 3.499 8.353 1.00 0.00 C ATOM 1203 CE2 TYR A 512 -4.938 2.053 8.042 1.00 0.00 C ATOM 1204 CZ TYR A 512 -5.635 3.018 8.802 1.00 0.00 C ATOM 1205 OH TYR A 512 -5.108 3.483 9.969 1.00 0.00 O ATOM 0 H TYR A 512 -8.669 3.670 3.630 1.00 0.00 H new ATOM 0 HA TYR A 512 -6.012 2.504 3.726 1.00 0.00 H new ATOM 0 HB2 TYR A 512 -8.431 1.429 5.259 1.00 0.00 H new ATOM 0 HB3 TYR A 512 -6.980 0.490 4.969 1.00 0.00 H new ATOM 0 HD1 TYR A 512 -8.401 3.369 6.823 1.00 0.00 H new ATOM 0 HD2 TYR A 512 -4.959 0.839 6.256 1.00 0.00 H new ATOM 0 HE1 TYR A 512 -7.415 4.244 8.928 1.00 0.00 H new ATOM 0 HE2 TYR A 512 -3.982 1.683 8.382 1.00 0.00 H new ATOM 0 HH TYR A 512 -4.245 3.050 10.134 1.00 0.00 H new ATOM 1215 N LEU A 513 -6.645 0.648 2.119 1.00 0.00 N ATOM 1216 CA LEU A 513 -6.896 -0.388 1.108 1.00 0.00 C ATOM 1217 C LEU A 513 -6.275 -1.716 1.594 1.00 0.00 C ATOM 1218 O LEU A 513 -5.678 -1.746 2.672 1.00 0.00 O ATOM 1219 CB LEU A 513 -6.314 0.090 -0.243 1.00 0.00 C ATOM 1220 CG LEU A 513 -7.115 -0.411 -1.459 1.00 0.00 C ATOM 1221 CD1 LEU A 513 -8.381 0.441 -1.648 1.00 0.00 C ATOM 1222 CD2 LEU A 513 -6.271 -0.340 -2.734 1.00 0.00 C ATOM 0 H LEU A 513 -5.671 0.660 2.421 1.00 0.00 H new ATOM 0 HA LEU A 513 -7.962 -0.561 0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -6.290 1.180 -0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 513 -5.283 -0.253 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 513 -7.393 -1.448 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -8.939 0.077 -2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -9.004 0.370 -0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 513 -8.099 1.481 -1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -6.858 -0.699 -3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -5.969 0.692 -2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -5.384 -0.962 -2.618 1.00 0.00 H new ATOM 1234 N CYS A 514 -6.377 -2.804 0.823 1.00 0.00 N ATOM 1235 CA CYS A 514 -5.890 -4.141 1.206 1.00 0.00 C ATOM 1236 C CYS A 514 -5.029 -4.783 0.098 1.00 0.00 C ATOM 1237 O CYS A 514 -5.361 -4.663 -1.082 1.00 0.00 O ATOM 1238 CB CYS A 514 -7.095 -5.027 1.571 1.00 0.00 C ATOM 1239 SG CYS A 514 -7.995 -4.354 3.003 1.00 0.00 S ATOM 0 H CYS A 514 -6.807 -2.784 -0.102 1.00 0.00 H new ATOM 0 HA CYS A 514 -5.239 -4.042 2.075 1.00 0.00 H new ATOM 0 HB2 CYS A 514 -7.768 -5.101 0.717 1.00 0.00 H new ATOM 0 HB3 CYS A 514 -6.753 -6.037 1.795 1.00 0.00 H new ATOM 0 HG CYS A 514 -9.005 -5.124 3.282 1.00 0.00 H new ATOM 1245 N VAL A 515 -3.944 -5.470 0.479 1.00 0.00 N ATOM 1246 CA VAL A 515 -2.928 -6.071 -0.420 1.00 0.00 C ATOM 1247 C VAL A 515 -2.321 -7.352 0.185 1.00 0.00 C ATOM 1248 O VAL A 515 -2.562 -7.658 1.351 1.00 0.00 O ATOM 1249 CB VAL A 515 -1.802 -5.067 -0.792 1.00 0.00 C ATOM 1250 CG1 VAL A 515 -2.318 -3.845 -1.569 1.00 0.00 C ATOM 1251 CG2 VAL A 515 -1.015 -4.579 0.435 1.00 0.00 C ATOM 0 H VAL A 515 -3.734 -5.634 1.464 1.00 0.00 H new ATOM 0 HA VAL A 515 -3.452 -6.337 -1.338 1.00 0.00 H new ATOM 0 HB VAL A 515 -1.134 -5.635 -1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -1.484 -3.182 -1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -2.786 -4.175 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -3.050 -3.311 -0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -0.241 -3.880 0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -1.693 -4.079 1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -0.552 -5.431 0.933 1.00 0.00 H new ATOM 1261 N SER A 516 -1.522 -8.098 -0.583 1.00 0.00 N ATOM 1262 CA SER A 516 -0.963 -9.409 -0.194 1.00 0.00 C ATOM 1263 C SER A 516 0.436 -9.658 -0.798 1.00 0.00 C ATOM 1264 O SER A 516 0.845 -9.013 -1.764 1.00 0.00 O ATOM 1265 CB SER A 516 -1.902 -10.544 -0.646 1.00 0.00 C ATOM 1266 OG SER A 516 -3.145 -10.542 0.047 1.00 0.00 O ATOM 0 H SER A 516 -1.235 -7.805 -1.517 1.00 0.00 H new ATOM 0 HA SER A 516 -0.869 -9.397 0.892 1.00 0.00 H new ATOM 0 HB2 SER A 516 -2.088 -10.451 -1.716 1.00 0.00 H new ATOM 0 HB3 SER A 516 -1.407 -11.502 -0.491 1.00 0.00 H new ATOM 0 HG SER A 516 -3.702 -11.279 -0.279 1.00 0.00 H new ATOM 1272 N SER A 517 1.164 -10.630 -0.251 1.00 0.00 N ATOM 1273 CA SER A 517 2.508 -11.065 -0.664 1.00 0.00 C ATOM 1274 C SER A 517 2.627 -12.610 -0.597 1.00 0.00 C ATOM 1275 O SER A 517 1.634 -13.285 -0.286 1.00 0.00 O ATOM 1276 CB SER A 517 3.536 -10.376 0.252 1.00 0.00 C ATOM 1277 OG SER A 517 3.597 -11.015 1.521 1.00 0.00 O ATOM 0 H SER A 517 0.815 -11.171 0.540 1.00 0.00 H new ATOM 0 HA SER A 517 2.698 -10.780 -1.699 1.00 0.00 H new ATOM 0 HB2 SER A 517 4.519 -10.398 -0.218 1.00 0.00 H new ATOM 0 HB3 SER A 517 3.268 -9.327 0.381 1.00 0.00 H new ATOM 0 HG SER A 517 4.258 -10.561 2.085 1.00 0.00 H new ATOM 1283 N PRO A 518 3.808 -13.215 -0.853 1.00 0.00 N ATOM 1284 CA PRO A 518 4.033 -14.646 -0.642 1.00 0.00 C ATOM 1285 C PRO A 518 3.994 -15.072 0.837 1.00 0.00 C ATOM 1286 O PRO A 518 3.925 -16.272 1.107 1.00 0.00 O ATOM 1287 CB PRO A 518 5.405 -14.954 -1.260 1.00 0.00 C ATOM 1288 CG PRO A 518 5.644 -13.790 -2.221 1.00 0.00 C ATOM 1289 CD PRO A 518 4.982 -12.635 -1.480 1.00 0.00 C ATOM 0 HA PRO A 518 3.227 -15.211 -1.110 1.00 0.00 H new ATOM 0 HB2 PRO A 518 6.183 -15.010 -0.499 1.00 0.00 H new ATOM 0 HB3 PRO A 518 5.402 -15.910 -1.783 1.00 0.00 H new ATOM 0 HG2 PRO A 518 6.706 -13.612 -2.392 1.00 0.00 H new ATOM 0 HG3 PRO A 518 5.189 -13.965 -3.196 1.00 0.00 H new ATOM 0 HD2 PRO A 518 5.654 -12.205 -0.737 1.00 0.00 H new ATOM 0 HD3 PRO A 518 4.708 -11.832 -2.164 1.00 0.00 H new ATOM 1297 N THR A 519 4.034 -14.118 1.783 1.00 0.00 N ATOM 1298 CA THR A 519 4.144 -14.370 3.230 1.00 0.00 C ATOM 1299 C THR A 519 2.984 -13.803 4.045 1.00 0.00 C ATOM 1300 O THR A 519 2.648 -14.384 5.076 1.00 0.00 O ATOM 1301 CB THR A 519 5.469 -13.818 3.772 1.00 0.00 C ATOM 1302 OG1 THR A 519 5.586 -12.450 3.442 1.00 0.00 O ATOM 1303 CG2 THR A 519 6.677 -14.556 3.193 1.00 0.00 C ATOM 0 H THR A 519 3.990 -13.124 1.556 1.00 0.00 H new ATOM 0 HA THR A 519 4.109 -15.453 3.345 1.00 0.00 H new ATOM 0 HB THR A 519 5.459 -13.960 4.853 1.00 0.00 H new ATOM 0 HG1 THR A 519 6.432 -12.101 3.791 1.00 0.00 H new ATOM 0 HG21 THR A 519 7.593 -14.132 3.604 1.00 0.00 H new ATOM 0 HG22 THR A 519 6.617 -15.613 3.454 1.00 0.00 H new ATOM 0 HG23 THR A 519 6.683 -14.450 2.108 1.00 0.00 H new ATOM 1311 N ILE A 520 2.337 -12.726 3.589 1.00 0.00 N ATOM 1312 CA ILE A 520 1.235 -12.037 4.287 1.00 0.00 C ATOM 1313 C ILE A 520 0.021 -11.914 3.362 1.00 0.00 C ATOM 1314 O ILE A 520 0.145 -11.535 2.197 1.00 0.00 O ATOM 1315 CB ILE A 520 1.668 -10.630 4.773 1.00 0.00 C ATOM 1316 CG1 ILE A 520 3.047 -10.545 5.469 1.00 0.00 C ATOM 1317 CG2 ILE A 520 0.587 -10.042 5.698 1.00 0.00 C ATOM 1318 CD1 ILE A 520 3.182 -11.292 6.802 1.00 0.00 C ATOM 0 H ILE A 520 2.570 -12.292 2.696 1.00 0.00 H new ATOM 0 HA ILE A 520 0.968 -12.632 5.160 1.00 0.00 H new ATOM 0 HB ILE A 520 1.780 -10.047 3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 520 3.801 -10.930 4.783 1.00 0.00 H new ATOM 0 HG13 ILE A 520 3.280 -9.494 5.641 1.00 0.00 H new ATOM 0 HG21 ILE A 520 0.896 -9.053 6.037 1.00 0.00 H new ATOM 0 HG22 ILE A 520 -0.353 -9.961 5.153 1.00 0.00 H new ATOM 0 HG23 ILE A 520 0.452 -10.695 6.560 1.00 0.00 H new ATOM 0 HD11 ILE A 520 4.191 -11.159 7.193 1.00 0.00 H new ATOM 0 HD12 ILE A 520 2.461 -10.895 7.516 1.00 0.00 H new ATOM 0 HD13 ILE A 520 2.990 -12.354 6.645 1.00 0.00 H new ATOM 1330 N LYS A 521 -1.165 -12.207 3.890 1.00 0.00 N ATOM 1331 CA LYS A 521 -2.423 -12.258 3.139 1.00 0.00 C ATOM 1332 C LYS A 521 -3.455 -11.272 3.716 1.00 0.00 C ATOM 1333 O LYS A 521 -3.679 -11.247 4.929 1.00 0.00 O ATOM 1334 CB LYS A 521 -2.947 -13.706 3.183 1.00 0.00 C ATOM 1335 CG LYS A 521 -2.000 -14.782 2.619 1.00 0.00 C ATOM 1336 CD LYS A 521 -1.582 -14.553 1.160 1.00 0.00 C ATOM 1337 CE LYS A 521 -0.704 -15.720 0.692 1.00 0.00 C ATOM 1338 NZ LYS A 521 -0.150 -15.478 -0.664 1.00 0.00 N ATOM 0 H LYS A 521 -1.284 -12.422 4.880 1.00 0.00 H new ATOM 0 HA LYS A 521 -2.251 -11.959 2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 521 -3.176 -13.958 4.219 1.00 0.00 H new ATOM 0 HB3 LYS A 521 -3.885 -13.749 2.630 1.00 0.00 H new ATOM 0 HG2 LYS A 521 -1.105 -14.823 3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 521 -2.486 -15.754 2.697 1.00 0.00 H new ATOM 0 HD2 LYS A 521 -2.465 -14.471 0.526 1.00 0.00 H new ATOM 0 HD3 LYS A 521 -1.036 -13.614 1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 521 0.113 -15.867 1.398 1.00 0.00 H new ATOM 0 HE3 LYS A 521 -1.291 -16.638 0.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 521 0.339 -16.333 -0.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 521 -0.924 -15.245 -1.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 521 0.523 -14.686 -0.628 1.00 0.00 H new ATOM 1352 N ASP A 522 -4.074 -10.465 2.846 1.00 0.00 N ATOM 1353 CA ASP A 522 -5.157 -9.503 3.186 1.00 0.00 C ATOM 1354 C ASP A 522 -4.690 -8.402 4.168 1.00 0.00 C ATOM 1355 O ASP A 522 -5.454 -7.906 4.997 1.00 0.00 O ATOM 1356 CB ASP A 522 -6.408 -10.276 3.664 1.00 0.00 C ATOM 1357 CG ASP A 522 -7.685 -9.417 3.694 1.00 0.00 C ATOM 1358 OD1 ASP A 522 -7.974 -8.726 2.688 1.00 0.00 O ATOM 1359 OD2 ASP A 522 -8.427 -9.480 4.705 1.00 0.00 O ATOM 0 H ASP A 522 -3.836 -10.454 1.854 1.00 0.00 H new ATOM 0 HA ASP A 522 -5.435 -8.955 2.285 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -6.570 -11.131 3.008 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -6.222 -10.671 4.663 1.00 0.00 H new ATOM 1364 N LYS A 523 -3.413 -8.008 4.080 1.00 0.00 N ATOM 1365 CA LYS A 523 -2.834 -6.902 4.848 1.00 0.00 C ATOM 1366 C LYS A 523 -3.562 -5.575 4.522 1.00 0.00 C ATOM 1367 O LYS A 523 -3.641 -5.224 3.335 1.00 0.00 O ATOM 1368 CB LYS A 523 -1.332 -6.789 4.506 1.00 0.00 C ATOM 1369 CG LYS A 523 -0.595 -5.692 5.294 1.00 0.00 C ATOM 1370 CD LYS A 523 -0.243 -6.087 6.736 1.00 0.00 C ATOM 1371 CE LYS A 523 0.519 -4.974 7.475 1.00 0.00 C ATOM 1372 NZ LYS A 523 -0.314 -3.771 7.742 1.00 0.00 N ATOM 0 H LYS A 523 -2.741 -8.460 3.460 1.00 0.00 H new ATOM 0 HA LYS A 523 -2.953 -7.098 5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 523 -0.852 -7.748 4.701 1.00 0.00 H new ATOM 0 HB3 LYS A 523 -1.226 -6.590 3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 523 0.322 -5.433 4.765 1.00 0.00 H new ATOM 0 HG3 LYS A 523 -1.215 -4.796 5.315 1.00 0.00 H new ATOM 0 HD2 LYS A 523 -1.158 -6.321 7.280 1.00 0.00 H new ATOM 0 HD3 LYS A 523 0.362 -6.993 6.725 1.00 0.00 H new ATOM 0 HE2 LYS A 523 0.894 -5.365 8.421 1.00 0.00 H new ATOM 0 HE3 LYS A 523 1.387 -4.683 6.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 523 0.292 -2.999 8.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 523 -0.788 -3.475 6.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 523 -1.029 -3.997 8.463 1.00 0.00 H new ATOM 1386 N PRO A 524 -4.037 -4.813 5.529 1.00 0.00 N ATOM 1387 CA PRO A 524 -4.538 -3.462 5.337 1.00 0.00 C ATOM 1388 C PRO A 524 -3.352 -2.498 5.231 1.00 0.00 C ATOM 1389 O PRO A 524 -2.368 -2.621 5.960 1.00 0.00 O ATOM 1390 CB PRO A 524 -5.416 -3.167 6.554 1.00 0.00 C ATOM 1391 CG PRO A 524 -4.778 -3.999 7.667 1.00 0.00 C ATOM 1392 CD PRO A 524 -4.085 -5.159 6.943 1.00 0.00 C ATOM 0 HA PRO A 524 -5.119 -3.348 4.422 1.00 0.00 H new ATOM 0 HB2 PRO A 524 -5.419 -2.105 6.799 1.00 0.00 H new ATOM 0 HB3 PRO A 524 -6.452 -3.457 6.381 1.00 0.00 H new ATOM 0 HG2 PRO A 524 -4.064 -3.409 8.242 1.00 0.00 H new ATOM 0 HG3 PRO A 524 -5.529 -4.363 8.368 1.00 0.00 H new ATOM 0 HD2 PRO A 524 -3.080 -5.313 7.336 1.00 0.00 H new ATOM 0 HD3 PRO A 524 -4.633 -6.089 7.094 1.00 0.00 H new ATOM 1400 N VAL A 525 -3.458 -1.538 4.317 1.00 0.00 N ATOM 1401 CA VAL A 525 -2.420 -0.546 4.004 1.00 0.00 C ATOM 1402 C VAL A 525 -3.031 0.850 3.982 1.00 0.00 C ATOM 1403 O VAL A 525 -4.097 1.057 3.408 1.00 0.00 O ATOM 1404 CB VAL A 525 -1.690 -0.854 2.676 1.00 0.00 C ATOM 1405 CG1 VAL A 525 -0.724 -2.026 2.897 1.00 0.00 C ATOM 1406 CG2 VAL A 525 -2.613 -1.165 1.479 1.00 0.00 C ATOM 0 H VAL A 525 -4.298 -1.420 3.750 1.00 0.00 H new ATOM 0 HA VAL A 525 -1.665 -0.596 4.789 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.163 0.061 2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -0.205 -2.250 1.965 1.00 0.00 H new ATOM 0 HG12 VAL A 525 0.004 -1.758 3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -1.284 -2.903 3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -2.007 -1.367 0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -3.224 -2.038 1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -3.260 -0.309 1.287 1.00 0.00 H new ATOM 1416 N GLN A 526 -2.378 1.792 4.658 1.00 0.00 N ATOM 1417 CA GLN A 526 -2.862 3.156 4.843 1.00 0.00 C ATOM 1418 C GLN A 526 -2.540 3.994 3.602 1.00 0.00 C ATOM 1419 O GLN A 526 -1.419 3.952 3.103 1.00 0.00 O ATOM 1420 CB GLN A 526 -2.217 3.751 6.102 1.00 0.00 C ATOM 1421 CG GLN A 526 -3.016 4.961 6.615 1.00 0.00 C ATOM 1422 CD GLN A 526 -2.329 5.683 7.772 1.00 0.00 C ATOM 1423 OE1 GLN A 526 -2.201 6.899 7.777 1.00 0.00 O ATOM 1424 NE2 GLN A 526 -1.867 4.993 8.796 1.00 0.00 N ATOM 0 H GLN A 526 -1.476 1.623 5.103 1.00 0.00 H new ATOM 0 HA GLN A 526 -3.944 3.156 4.974 1.00 0.00 H new ATOM 0 HB2 GLN A 526 -2.163 2.990 6.881 1.00 0.00 H new ATOM 0 HB3 GLN A 526 -1.194 4.054 5.881 1.00 0.00 H new ATOM 0 HG2 GLN A 526 -3.168 5.663 5.795 1.00 0.00 H new ATOM 0 HG3 GLN A 526 -4.003 4.628 6.937 1.00 0.00 H new ATOM 0 HE21 GLN A 526 -1.963 3.978 8.812 1.00 0.00 H new ATOM 0 HE22 GLN A 526 -1.413 5.474 9.572 1.00 0.00 H new ATOM 1433 N ILE A 527 -3.513 4.761 3.112 1.00 0.00 N ATOM 1434 CA ILE A 527 -3.446 5.517 1.853 1.00 0.00 C ATOM 1435 C ILE A 527 -3.527 7.018 2.169 1.00 0.00 C ATOM 1436 O ILE A 527 -4.370 7.438 2.965 1.00 0.00 O ATOM 1437 CB ILE A 527 -4.604 5.075 0.917 1.00 0.00 C ATOM 1438 CG1 ILE A 527 -4.744 3.542 0.757 1.00 0.00 C ATOM 1439 CG2 ILE A 527 -4.483 5.721 -0.473 1.00 0.00 C ATOM 1440 CD1 ILE A 527 -3.520 2.813 0.191 1.00 0.00 C ATOM 0 H ILE A 527 -4.403 4.880 3.595 1.00 0.00 H new ATOM 0 HA ILE A 527 -2.505 5.318 1.340 1.00 0.00 H new ATOM 0 HB ILE A 527 -5.507 5.427 1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 527 -4.979 3.114 1.732 1.00 0.00 H new ATOM 0 HG13 ILE A 527 -5.595 3.340 0.107 1.00 0.00 H new ATOM 0 HG21 ILE A 527 -5.310 5.389 -1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 527 -4.515 6.806 -0.374 1.00 0.00 H new ATOM 0 HG23 ILE A 527 -3.539 5.426 -0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 527 -3.731 1.746 0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 527 -3.292 3.202 -0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 527 -2.665 2.972 0.849 1.00 0.00 H new ATOM 1452 N ARG A 528 -2.669 7.831 1.545 1.00 0.00 N ATOM 1453 CA ARG A 528 -2.597 9.286 1.753 1.00 0.00 C ATOM 1454 C ARG A 528 -2.335 10.014 0.418 1.00 0.00 C ATOM 1455 O ARG A 528 -1.173 10.118 0.012 1.00 0.00 O ATOM 1456 CB ARG A 528 -1.507 9.618 2.792 1.00 0.00 C ATOM 1457 CG ARG A 528 -1.869 9.247 4.237 1.00 0.00 C ATOM 1458 CD ARG A 528 -0.811 9.782 5.210 1.00 0.00 C ATOM 1459 NE ARG A 528 -1.050 9.285 6.573 1.00 0.00 N ATOM 1460 CZ ARG A 528 -0.550 9.758 7.707 1.00 0.00 C ATOM 1461 NH1 ARG A 528 0.224 10.820 7.769 1.00 0.00 N ATOM 1462 NH2 ARG A 528 -0.844 9.121 8.812 1.00 0.00 N ATOM 0 H ARG A 528 -1.989 7.491 0.865 1.00 0.00 H new ATOM 0 HA ARG A 528 -3.555 9.635 2.138 1.00 0.00 H new ATOM 0 HB2 ARG A 528 -0.590 9.098 2.516 1.00 0.00 H new ATOM 0 HB3 ARG A 528 -1.294 10.686 2.747 1.00 0.00 H new ATOM 0 HG2 ARG A 528 -2.846 9.659 4.491 1.00 0.00 H new ATOM 0 HG3 ARG A 528 -1.945 8.164 4.333 1.00 0.00 H new ATOM 0 HD2 ARG A 528 0.181 9.478 4.877 1.00 0.00 H new ATOM 0 HD3 ARG A 528 -0.828 10.872 5.208 1.00 0.00 H new ATOM 0 HE ARG A 528 -1.674 8.482 6.656 1.00 0.00 H new ATOM 0 HH11 ARG A 528 0.468 11.324 6.916 1.00 0.00 H new ATOM 0 HH12 ARG A 528 0.581 11.139 8.670 1.00 0.00 H new ATOM 0 HH21 ARG A 528 -1.438 8.292 8.780 1.00 0.00 H new ATOM 0 HH22 ARG A 528 -0.479 9.453 9.705 1.00 0.00 H new ATOM 1476 N PRO A 529 -3.385 10.505 -0.275 1.00 0.00 N ATOM 1477 CA PRO A 529 -3.250 11.324 -1.479 1.00 0.00 C ATOM 1478 C PRO A 529 -2.451 12.602 -1.195 1.00 0.00 C ATOM 1479 O PRO A 529 -2.726 13.315 -0.229 1.00 0.00 O ATOM 1480 CB PRO A 529 -4.680 11.633 -1.941 1.00 0.00 C ATOM 1481 CG PRO A 529 -5.492 10.474 -1.366 1.00 0.00 C ATOM 1482 CD PRO A 529 -4.792 10.211 -0.035 1.00 0.00 C ATOM 0 HA PRO A 529 -2.695 10.801 -2.258 1.00 0.00 H new ATOM 0 HB2 PRO A 529 -5.027 12.594 -1.562 1.00 0.00 H new ATOM 0 HB3 PRO A 529 -4.752 11.674 -3.028 1.00 0.00 H new ATOM 0 HG2 PRO A 529 -6.540 10.741 -1.228 1.00 0.00 H new ATOM 0 HG3 PRO A 529 -5.469 9.600 -2.017 1.00 0.00 H new ATOM 0 HD2 PRO A 529 -5.197 10.844 0.754 1.00 0.00 H new ATOM 0 HD3 PRO A 529 -4.929 9.178 0.284 1.00 0.00 H new ATOM 1490 N TRP A 530 -1.446 12.882 -2.028 1.00 0.00 N ATOM 1491 CA TRP A 530 -0.528 14.010 -1.846 1.00 0.00 C ATOM 1492 C TRP A 530 -1.191 15.356 -2.191 1.00 0.00 C ATOM 1493 O TRP A 530 -1.991 15.456 -3.123 1.00 0.00 O ATOM 1494 CB TRP A 530 0.725 13.753 -2.686 1.00 0.00 C ATOM 1495 CG TRP A 530 1.875 14.684 -2.456 1.00 0.00 C ATOM 1496 CD1 TRP A 530 2.082 15.853 -3.101 1.00 0.00 C ATOM 1497 CD2 TRP A 530 3.009 14.524 -1.547 1.00 0.00 C ATOM 1498 NE1 TRP A 530 3.260 16.425 -2.661 1.00 0.00 N ATOM 1499 CE2 TRP A 530 3.880 15.644 -1.709 1.00 0.00 C ATOM 1500 CE3 TRP A 530 3.400 13.538 -0.614 1.00 0.00 C ATOM 1501 CZ2 TRP A 530 5.079 15.775 -0.993 1.00 0.00 C ATOM 1502 CZ3 TRP A 530 4.600 13.663 0.115 1.00 0.00 C ATOM 1503 CH2 TRP A 530 5.439 14.775 -0.074 1.00 0.00 C ATOM 0 H TRP A 530 -1.244 12.325 -2.858 1.00 0.00 H new ATOM 0 HA TRP A 530 -0.249 14.084 -0.795 1.00 0.00 H new ATOM 0 HB2 TRP A 530 1.064 12.735 -2.494 1.00 0.00 H new ATOM 0 HB3 TRP A 530 0.448 13.803 -3.739 1.00 0.00 H new ATOM 0 HD1 TRP A 530 1.426 16.276 -3.847 1.00 0.00 H new ATOM 0 HE1 TRP A 530 3.626 17.315 -2.999 1.00 0.00 H new ATOM 0 HE3 TRP A 530 2.770 12.675 -0.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 530 5.717 16.633 -1.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 530 4.877 12.898 0.825 1.00 0.00 H new ATOM 0 HH2 TRP A 530 6.358 14.860 0.486 1.00 0.00 H new