USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=13 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 516 SER OG : rot -144:sc= 0.58 USER MOD Set 1.2: A 521 LYS NZ :NH3+ 171:sc= 0.647 (180deg=0) USER MOD Set 2.1: A 517 SER OG : rot -85:sc= 1.1 USER MOD Set 2.2: A 519 THR OG1 : rot 3:sc= 0.337 USER MOD Set 3.1: A 512 TYR OH : rot 150:sc= 0.183 USER MOD Set 3.2: A 526 GLN : amide:sc= 0.187 X(o=0.37,f=0.82) USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 THR OG1 : rot 71:sc= 1.18 USER MOD Single : A 460 SER OG : rot 66:sc= 1.2 USER MOD Single : A 486 TYR OH : rot 180:sc= 0 USER MOD Single : A 492 GLN : amide:sc=-0.00994 X(o=-0.0099,f=-0.12) USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot -77:sc= 0.215 USER MOD Single : A 498 GLN : amide:sc= 0.432 X(o=0.43,f=-0.013) USER MOD Single : A 504 CYS SG : rot 73:sc= 0.614 USER MOD Single : A 514 CYS SG : rot 27:sc= 0.0358 USER MOD Single : A 523 LYS NZ :NH3+ -169:sc= 0.539 (180deg=0.449) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 441 -1.044 13.869 -8.075 1.00 0.00 N ATOM 80 CA ARG A 441 -1.213 12.454 -8.456 1.00 0.00 C ATOM 81 C ARG A 441 -0.350 11.498 -7.611 1.00 0.00 C ATOM 82 O ARG A 441 -0.459 10.278 -7.752 1.00 0.00 O ATOM 83 CB ARG A 441 -0.946 12.249 -9.956 1.00 0.00 C ATOM 84 CG ARG A 441 -1.882 13.095 -10.836 1.00 0.00 C ATOM 85 CD ARG A 441 -1.893 12.634 -12.299 1.00 0.00 C ATOM 86 NE ARG A 441 -0.545 12.575 -12.887 1.00 0.00 N ATOM 87 CZ ARG A 441 0.135 13.559 -13.463 1.00 0.00 C ATOM 88 NH1 ARG A 441 -0.343 14.783 -13.556 1.00 0.00 N ATOM 89 NH2 ARG A 441 1.331 13.317 -13.955 1.00 0.00 N ATOM 0 HA ARG A 441 -2.253 12.202 -8.249 1.00 0.00 H new ATOM 0 HB2 ARG A 441 0.089 12.508 -10.177 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -1.071 11.195 -10.204 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.895 13.045 -10.436 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -1.572 14.139 -10.790 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.355 11.649 -12.362 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.511 13.314 -12.885 1.00 0.00 H new ATOM 0 HE ARG A 441 -0.077 11.669 -12.847 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -1.265 15.000 -13.178 1.00 0.00 H new ATOM 0 HH12 ARG A 441 0.209 15.513 -14.006 1.00 0.00 H new ATOM 0 HH21 ARG A 441 1.728 12.380 -13.892 1.00 0.00 H new ATOM 0 HH22 ARG A 441 1.861 14.067 -14.399 1.00 0.00 H new ATOM 103 N LYS A 442 0.509 12.029 -6.733 1.00 0.00 N ATOM 104 CA LYS A 442 1.211 11.258 -5.700 1.00 0.00 C ATOM 105 C LYS A 442 0.207 10.668 -4.689 1.00 0.00 C ATOM 106 O LYS A 442 -0.678 11.380 -4.211 1.00 0.00 O ATOM 107 CB LYS A 442 2.211 12.165 -4.952 1.00 0.00 C ATOM 108 CG LYS A 442 3.572 12.289 -5.646 1.00 0.00 C ATOM 109 CD LYS A 442 4.543 13.215 -4.895 1.00 0.00 C ATOM 110 CE LYS A 442 4.906 12.677 -3.501 1.00 0.00 C ATOM 111 NZ LYS A 442 5.969 13.489 -2.852 1.00 0.00 N ATOM 0 H LYS A 442 0.740 13.023 -6.720 1.00 0.00 H new ATOM 0 HA LYS A 442 1.748 10.444 -6.187 1.00 0.00 H new ATOM 0 HB2 LYS A 442 1.776 13.159 -4.845 1.00 0.00 H new ATOM 0 HB3 LYS A 442 2.361 11.773 -3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 442 4.019 11.299 -5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 442 3.425 12.668 -6.658 1.00 0.00 H new ATOM 0 HD2 LYS A 442 5.453 13.337 -5.483 1.00 0.00 H new ATOM 0 HD3 LYS A 442 4.094 14.203 -4.795 1.00 0.00 H new ATOM 0 HE2 LYS A 442 4.017 12.673 -2.871 1.00 0.00 H new ATOM 0 HE3 LYS A 442 5.241 11.643 -3.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 6.185 13.093 -1.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 6.826 13.472 -3.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 5.641 14.470 -2.746 1.00 0.00 H new ATOM 125 N VAL A 443 0.383 9.404 -4.303 1.00 0.00 N ATOM 126 CA VAL A 443 -0.347 8.779 -3.182 1.00 0.00 C ATOM 127 C VAL A 443 0.622 7.936 -2.353 1.00 0.00 C ATOM 128 O VAL A 443 1.181 6.963 -2.849 1.00 0.00 O ATOM 129 CB VAL A 443 -1.543 7.914 -3.652 1.00 0.00 C ATOM 130 CG1 VAL A 443 -2.324 7.374 -2.443 1.00 0.00 C ATOM 131 CG2 VAL A 443 -2.515 8.685 -4.560 1.00 0.00 C ATOM 0 H VAL A 443 1.041 8.773 -4.760 1.00 0.00 H new ATOM 0 HA VAL A 443 -0.763 9.582 -2.574 1.00 0.00 H new ATOM 0 HB VAL A 443 -1.117 7.094 -4.230 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -3.161 6.769 -2.791 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -1.665 6.762 -1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -2.701 8.208 -1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -3.333 8.029 -4.858 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -2.916 9.542 -4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.986 9.032 -5.448 1.00 0.00 H new ATOM 141 N PHE A 444 0.816 8.308 -1.086 1.00 0.00 N ATOM 142 CA PHE A 444 1.589 7.526 -0.123 1.00 0.00 C ATOM 143 C PHE A 444 0.797 6.281 0.313 1.00 0.00 C ATOM 144 O PHE A 444 -0.401 6.370 0.588 1.00 0.00 O ATOM 145 CB PHE A 444 1.948 8.426 1.069 1.00 0.00 C ATOM 146 CG PHE A 444 2.577 7.711 2.255 1.00 0.00 C ATOM 147 CD1 PHE A 444 1.762 7.126 3.247 1.00 0.00 C ATOM 148 CD2 PHE A 444 3.976 7.648 2.384 1.00 0.00 C ATOM 149 CE1 PHE A 444 2.340 6.500 4.364 1.00 0.00 C ATOM 150 CE2 PHE A 444 4.554 7.024 3.504 1.00 0.00 C ATOM 151 CZ PHE A 444 3.738 6.446 4.493 1.00 0.00 C ATOM 0 H PHE A 444 0.436 9.171 -0.697 1.00 0.00 H new ATOM 0 HA PHE A 444 2.513 7.170 -0.580 1.00 0.00 H new ATOM 0 HB2 PHE A 444 2.635 9.199 0.726 1.00 0.00 H new ATOM 0 HB3 PHE A 444 1.043 8.931 1.408 1.00 0.00 H new ATOM 0 HD1 PHE A 444 0.687 7.160 3.147 1.00 0.00 H new ATOM 0 HD2 PHE A 444 4.608 8.080 1.622 1.00 0.00 H new ATOM 0 HE1 PHE A 444 1.710 6.060 5.123 1.00 0.00 H new ATOM 0 HE2 PHE A 444 5.629 6.989 3.605 1.00 0.00 H new ATOM 0 HZ PHE A 444 4.185 5.962 5.349 1.00 0.00 H new ATOM 161 N VAL A 445 1.479 5.138 0.397 1.00 0.00 N ATOM 162 CA VAL A 445 0.930 3.847 0.844 1.00 0.00 C ATOM 163 C VAL A 445 1.868 3.242 1.884 1.00 0.00 C ATOM 164 O VAL A 445 2.994 2.872 1.554 1.00 0.00 O ATOM 165 CB VAL A 445 0.729 2.867 -0.330 1.00 0.00 C ATOM 166 CG1 VAL A 445 0.173 1.508 0.137 1.00 0.00 C ATOM 167 CG2 VAL A 445 -0.228 3.471 -1.361 1.00 0.00 C ATOM 0 H VAL A 445 2.466 5.079 0.147 1.00 0.00 H new ATOM 0 HA VAL A 445 -0.052 4.025 1.283 1.00 0.00 H new ATOM 0 HB VAL A 445 1.708 2.698 -0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 445 0.048 0.851 -0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 445 0.868 1.053 0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.791 1.657 0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -0.363 2.771 -2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.191 3.669 -0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 445 0.188 4.404 -1.741 1.00 0.00 H new ATOM 177 N GLY A 446 1.400 3.155 3.130 1.00 0.00 N ATOM 178 CA GLY A 446 2.153 2.642 4.281 1.00 0.00 C ATOM 179 C GLY A 446 1.635 1.299 4.796 1.00 0.00 C ATOM 180 O GLY A 446 0.444 1.004 4.694 1.00 0.00 O ATOM 0 H GLY A 446 0.455 3.449 3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 446 3.201 2.536 4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 446 2.111 3.373 5.088 1.00 0.00 H new ATOM 184 N GLY A 447 2.527 0.496 5.385 1.00 0.00 N ATOM 185 CA GLY A 447 2.203 -0.812 5.975 1.00 0.00 C ATOM 186 C GLY A 447 2.319 -1.980 4.994 1.00 0.00 C ATOM 187 O GLY A 447 1.635 -2.988 5.171 1.00 0.00 O ATOM 0 H GLY A 447 3.514 0.739 5.468 1.00 0.00 H new ATOM 0 HA2 GLY A 447 2.867 -0.993 6.820 1.00 0.00 H new ATOM 0 HA3 GLY A 447 1.187 -0.780 6.369 1.00 0.00 H new ATOM 191 N LEU A 448 3.152 -1.855 3.956 1.00 0.00 N ATOM 192 CA LEU A 448 3.384 -2.889 2.938 1.00 0.00 C ATOM 193 C LEU A 448 3.953 -4.186 3.567 1.00 0.00 C ATOM 194 O LEU A 448 4.770 -4.086 4.490 1.00 0.00 O ATOM 195 CB LEU A 448 4.358 -2.335 1.876 1.00 0.00 C ATOM 196 CG LEU A 448 3.830 -1.146 1.044 1.00 0.00 C ATOM 197 CD1 LEU A 448 4.947 -0.634 0.128 1.00 0.00 C ATOM 198 CD2 LEU A 448 2.623 -1.531 0.175 1.00 0.00 C ATOM 0 H LEU A 448 3.699 -1.009 3.795 1.00 0.00 H new ATOM 0 HA LEU A 448 2.432 -3.145 2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 448 5.276 -2.026 2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 448 4.623 -3.143 1.194 1.00 0.00 H new ATOM 0 HG LEU A 448 3.510 -0.375 1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 448 4.578 0.206 -0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 448 5.793 -0.309 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 448 5.265 -1.434 -0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 448 2.289 -0.661 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 448 2.910 -2.324 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 448 1.812 -1.882 0.813 1.00 0.00 H new ATOM 210 N PRO A 449 3.567 -5.390 3.082 1.00 0.00 N ATOM 211 CA PRO A 449 4.148 -6.661 3.524 1.00 0.00 C ATOM 212 C PRO A 449 5.679 -6.722 3.340 1.00 0.00 C ATOM 213 O PRO A 449 6.208 -6.047 2.453 1.00 0.00 O ATOM 214 CB PRO A 449 3.467 -7.749 2.689 1.00 0.00 C ATOM 215 CG PRO A 449 2.142 -7.123 2.268 1.00 0.00 C ATOM 216 CD PRO A 449 2.494 -5.643 2.125 1.00 0.00 C ATOM 0 HA PRO A 449 3.981 -6.791 4.593 1.00 0.00 H new ATOM 0 HB2 PRO A 449 4.071 -8.023 1.824 1.00 0.00 H new ATOM 0 HB3 PRO A 449 3.311 -8.658 3.270 1.00 0.00 H new ATOM 0 HG2 PRO A 449 1.776 -7.544 1.331 1.00 0.00 H new ATOM 0 HG3 PRO A 449 1.364 -7.283 3.015 1.00 0.00 H new ATOM 0 HD2 PRO A 449 2.816 -5.415 1.109 1.00 0.00 H new ATOM 0 HD3 PRO A 449 1.629 -5.014 2.334 1.00 0.00 H new ATOM 224 N PRO A 450 6.398 -7.545 4.130 1.00 0.00 N ATOM 225 CA PRO A 450 7.860 -7.601 4.134 1.00 0.00 C ATOM 226 C PRO A 450 8.475 -8.365 2.942 1.00 0.00 C ATOM 227 O PRO A 450 9.696 -8.508 2.887 1.00 0.00 O ATOM 228 CB PRO A 450 8.218 -8.248 5.479 1.00 0.00 C ATOM 229 CG PRO A 450 7.050 -9.203 5.719 1.00 0.00 C ATOM 230 CD PRO A 450 5.861 -8.419 5.166 1.00 0.00 C ATOM 0 HA PRO A 450 8.279 -6.601 4.019 1.00 0.00 H new ATOM 0 HB2 PRO A 450 9.170 -8.777 5.432 1.00 0.00 H new ATOM 0 HB3 PRO A 450 8.304 -7.507 6.274 1.00 0.00 H new ATOM 0 HG2 PRO A 450 7.188 -10.151 5.199 1.00 0.00 H new ATOM 0 HG3 PRO A 450 6.926 -9.435 6.777 1.00 0.00 H new ATOM 0 HD2 PRO A 450 5.108 -9.092 4.756 1.00 0.00 H new ATOM 0 HD3 PRO A 450 5.377 -7.839 5.952 1.00 0.00 H new ATOM 238 N ASP A 451 7.665 -8.848 1.989 1.00 0.00 N ATOM 239 CA ASP A 451 8.112 -9.637 0.825 1.00 0.00 C ATOM 240 C ASP A 451 7.363 -9.266 -0.474 1.00 0.00 C ATOM 241 O ASP A 451 7.239 -10.075 -1.394 1.00 0.00 O ATOM 242 CB ASP A 451 8.030 -11.137 1.166 1.00 0.00 C ATOM 243 CG ASP A 451 8.864 -12.022 0.219 1.00 0.00 C ATOM 244 OD1 ASP A 451 10.058 -11.712 -0.008 1.00 0.00 O ATOM 245 OD2 ASP A 451 8.342 -13.060 -0.251 1.00 0.00 O ATOM 0 H ASP A 451 6.656 -8.699 2.004 1.00 0.00 H new ATOM 0 HA ASP A 451 9.153 -9.391 0.615 1.00 0.00 H new ATOM 0 HB2 ASP A 451 8.372 -11.289 2.190 1.00 0.00 H new ATOM 0 HB3 ASP A 451 6.988 -11.455 1.127 1.00 0.00 H new ATOM 250 N ILE A 452 6.846 -8.033 -0.548 1.00 0.00 N ATOM 251 CA ILE A 452 6.261 -7.449 -1.769 1.00 0.00 C ATOM 252 C ILE A 452 7.316 -6.639 -2.550 1.00 0.00 C ATOM 253 O ILE A 452 8.345 -6.247 -1.998 1.00 0.00 O ATOM 254 CB ILE A 452 4.993 -6.638 -1.402 1.00 0.00 C ATOM 255 CG1 ILE A 452 4.055 -6.522 -2.621 1.00 0.00 C ATOM 256 CG2 ILE A 452 5.337 -5.250 -0.832 1.00 0.00 C ATOM 257 CD1 ILE A 452 2.666 -5.976 -2.290 1.00 0.00 C ATOM 0 H ILE A 452 6.820 -7.400 0.251 1.00 0.00 H new ATOM 0 HA ILE A 452 5.943 -8.241 -2.447 1.00 0.00 H new ATOM 0 HB ILE A 452 4.472 -7.182 -0.614 1.00 0.00 H new ATOM 0 HG12 ILE A 452 4.521 -5.874 -3.364 1.00 0.00 H new ATOM 0 HG13 ILE A 452 3.948 -7.506 -3.078 1.00 0.00 H new ATOM 0 HG21 ILE A 452 4.417 -4.718 -0.589 1.00 0.00 H new ATOM 0 HG22 ILE A 452 5.938 -5.366 0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 452 5.900 -4.682 -1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 452 2.068 -5.926 -3.200 1.00 0.00 H new ATOM 0 HD12 ILE A 452 2.178 -6.635 -1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 452 2.760 -4.978 -1.862 1.00 0.00 H new ATOM 269 N ASP A 453 7.064 -6.370 -3.832 1.00 0.00 N ATOM 270 CA ASP A 453 7.980 -5.678 -4.748 1.00 0.00 C ATOM 271 C ASP A 453 7.249 -4.706 -5.690 1.00 0.00 C ATOM 272 O ASP A 453 6.021 -4.713 -5.775 1.00 0.00 O ATOM 273 CB ASP A 453 8.809 -6.712 -5.527 1.00 0.00 C ATOM 274 CG ASP A 453 8.007 -7.445 -6.613 1.00 0.00 C ATOM 275 OD1 ASP A 453 7.811 -6.856 -7.703 1.00 0.00 O ATOM 276 OD2 ASP A 453 7.599 -8.606 -6.376 1.00 0.00 O ATOM 0 H ASP A 453 6.187 -6.636 -4.279 1.00 0.00 H new ATOM 0 HA ASP A 453 8.653 -5.062 -4.152 1.00 0.00 H new ATOM 0 HB2 ASP A 453 9.659 -6.211 -5.990 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.213 -7.444 -4.828 1.00 0.00 H new ATOM 281 N GLU A 454 8.019 -3.878 -6.398 1.00 0.00 N ATOM 282 CA GLU A 454 7.562 -2.784 -7.265 1.00 0.00 C ATOM 283 C GLU A 454 6.428 -3.187 -8.228 1.00 0.00 C ATOM 284 O GLU A 454 5.455 -2.447 -8.380 1.00 0.00 O ATOM 285 CB GLU A 454 8.772 -2.274 -8.069 1.00 0.00 C ATOM 286 CG GLU A 454 8.510 -0.957 -8.809 1.00 0.00 C ATOM 287 CD GLU A 454 9.674 -0.617 -9.750 1.00 0.00 C ATOM 288 OE1 GLU A 454 10.818 -0.455 -9.264 1.00 0.00 O ATOM 289 OE2 GLU A 454 9.454 -0.505 -10.980 1.00 0.00 O ATOM 0 H GLU A 454 9.036 -3.955 -6.383 1.00 0.00 H new ATOM 0 HA GLU A 454 7.146 -2.007 -6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 454 9.616 -2.138 -7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 454 9.063 -3.035 -8.793 1.00 0.00 H new ATOM 0 HG2 GLU A 454 7.585 -1.034 -9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 454 8.373 -0.151 -8.088 1.00 0.00 H new ATOM 296 N ASP A 455 6.518 -4.361 -8.859 1.00 0.00 N ATOM 297 CA ASP A 455 5.549 -4.822 -9.861 1.00 0.00 C ATOM 298 C ASP A 455 4.270 -5.387 -9.220 1.00 0.00 C ATOM 299 O ASP A 455 3.191 -5.284 -9.802 1.00 0.00 O ATOM 300 CB ASP A 455 6.219 -5.862 -10.770 1.00 0.00 C ATOM 301 CG ASP A 455 5.348 -6.223 -11.985 1.00 0.00 C ATOM 302 OD1 ASP A 455 5.146 -5.348 -12.860 1.00 0.00 O ATOM 303 OD2 ASP A 455 4.903 -7.392 -12.082 1.00 0.00 O ATOM 0 H ASP A 455 7.272 -5.026 -8.688 1.00 0.00 H new ATOM 0 HA ASP A 455 5.238 -3.964 -10.457 1.00 0.00 H new ATOM 0 HB2 ASP A 455 7.178 -5.475 -11.115 1.00 0.00 H new ATOM 0 HB3 ASP A 455 6.427 -6.764 -10.194 1.00 0.00 H new ATOM 308 N GLU A 456 4.372 -5.909 -7.995 1.00 0.00 N ATOM 309 CA GLU A 456 3.222 -6.318 -7.184 1.00 0.00 C ATOM 310 C GLU A 456 2.520 -5.108 -6.555 1.00 0.00 C ATOM 311 O GLU A 456 1.293 -5.083 -6.486 1.00 0.00 O ATOM 312 CB GLU A 456 3.651 -7.282 -6.072 1.00 0.00 C ATOM 313 CG GLU A 456 4.119 -8.648 -6.574 1.00 0.00 C ATOM 314 CD GLU A 456 2.973 -9.486 -7.163 1.00 0.00 C ATOM 315 OE1 GLU A 456 2.180 -10.062 -6.381 1.00 0.00 O ATOM 316 OE2 GLU A 456 2.872 -9.602 -8.407 1.00 0.00 O ATOM 0 H GLU A 456 5.268 -6.062 -7.532 1.00 0.00 H new ATOM 0 HA GLU A 456 2.525 -6.823 -7.853 1.00 0.00 H new ATOM 0 HB2 GLU A 456 4.456 -6.823 -5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 456 2.814 -7.426 -5.388 1.00 0.00 H new ATOM 0 HG2 GLU A 456 4.889 -8.508 -7.333 1.00 0.00 H new ATOM 0 HG3 GLU A 456 4.579 -9.195 -5.751 1.00 0.00 H new ATOM 323 N ILE A 457 3.263 -4.071 -6.150 1.00 0.00 N ATOM 324 CA ILE A 457 2.688 -2.790 -5.705 1.00 0.00 C ATOM 325 C ILE A 457 1.992 -2.100 -6.888 1.00 0.00 C ATOM 326 O ILE A 457 0.906 -1.549 -6.714 1.00 0.00 O ATOM 327 CB ILE A 457 3.764 -1.887 -5.053 1.00 0.00 C ATOM 328 CG1 ILE A 457 4.412 -2.556 -3.817 1.00 0.00 C ATOM 329 CG2 ILE A 457 3.149 -0.540 -4.617 1.00 0.00 C ATOM 330 CD1 ILE A 457 5.771 -1.944 -3.457 1.00 0.00 C ATOM 0 H ILE A 457 4.282 -4.094 -6.121 1.00 0.00 H new ATOM 0 HA ILE A 457 1.941 -2.982 -4.935 1.00 0.00 H new ATOM 0 HB ILE A 457 4.534 -1.724 -5.807 1.00 0.00 H new ATOM 0 HG12 ILE A 457 3.739 -2.463 -2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 457 4.538 -3.621 -4.010 1.00 0.00 H new ATOM 0 HG21 ILE A 457 3.920 0.081 -4.161 1.00 0.00 H new ATOM 0 HG22 ILE A 457 2.739 -0.029 -5.488 1.00 0.00 H new ATOM 0 HG23 ILE A 457 2.354 -0.720 -3.894 1.00 0.00 H new ATOM 0 HD11 ILE A 457 6.179 -2.452 -2.583 1.00 0.00 H new ATOM 0 HD12 ILE A 457 6.456 -2.060 -4.297 1.00 0.00 H new ATOM 0 HD13 ILE A 457 5.645 -0.884 -3.235 1.00 0.00 H new ATOM 342 N THR A 458 2.551 -2.205 -8.102 1.00 0.00 N ATOM 343 CA THR A 458 1.899 -1.733 -9.333 1.00 0.00 C ATOM 344 C THR A 458 0.625 -2.521 -9.597 1.00 0.00 C ATOM 345 O THR A 458 -0.427 -1.909 -9.735 1.00 0.00 O ATOM 346 CB THR A 458 2.857 -1.779 -10.534 1.00 0.00 C ATOM 347 OG1 THR A 458 4.014 -1.028 -10.249 1.00 0.00 O ATOM 348 CG2 THR A 458 2.231 -1.167 -11.790 1.00 0.00 C ATOM 0 H THR A 458 3.469 -2.620 -8.259 1.00 0.00 H new ATOM 0 HA THR A 458 1.624 -0.688 -9.191 1.00 0.00 H new ATOM 0 HB THR A 458 3.087 -2.829 -10.712 1.00 0.00 H new ATOM 0 HG1 THR A 458 4.555 -1.501 -9.583 1.00 0.00 H new ATOM 0 HG21 THR A 458 2.942 -1.220 -12.614 1.00 0.00 H new ATOM 0 HG22 THR A 458 1.329 -1.719 -12.053 1.00 0.00 H new ATOM 0 HG23 THR A 458 1.975 -0.125 -11.598 1.00 0.00 H new ATOM 356 N ALA A 459 0.672 -3.856 -9.600 1.00 0.00 N ATOM 357 CA ALA A 459 -0.512 -4.702 -9.791 1.00 0.00 C ATOM 358 C ALA A 459 -1.590 -4.482 -8.710 1.00 0.00 C ATOM 359 O ALA A 459 -2.784 -4.563 -9.000 1.00 0.00 O ATOM 360 CB ALA A 459 -0.060 -6.166 -9.843 1.00 0.00 C ATOM 0 H ALA A 459 1.535 -4.384 -9.470 1.00 0.00 H new ATOM 0 HA ALA A 459 -0.987 -4.424 -10.732 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -0.928 -6.810 -9.985 1.00 0.00 H new ATOM 0 HB2 ALA A 459 0.633 -6.304 -10.673 1.00 0.00 H new ATOM 0 HB3 ALA A 459 0.437 -6.427 -8.908 1.00 0.00 H new ATOM 366 N SER A 460 -1.185 -4.138 -7.488 1.00 0.00 N ATOM 367 CA SER A 460 -2.083 -3.814 -6.371 1.00 0.00 C ATOM 368 C SER A 460 -2.863 -2.501 -6.548 1.00 0.00 C ATOM 369 O SER A 460 -3.849 -2.299 -5.834 1.00 0.00 O ATOM 370 CB SER A 460 -1.301 -3.754 -5.051 1.00 0.00 C ATOM 371 OG SER A 460 -0.759 -5.017 -4.698 1.00 0.00 O ATOM 0 H SER A 460 -0.198 -4.074 -7.237 1.00 0.00 H new ATOM 0 HA SER A 460 -2.817 -4.619 -6.352 1.00 0.00 H new ATOM 0 HB2 SER A 460 -0.495 -3.025 -5.139 1.00 0.00 H new ATOM 0 HB3 SER A 460 -1.959 -3.406 -4.255 1.00 0.00 H new ATOM 0 HG SER A 460 -0.078 -5.275 -5.353 1.00 0.00 H new ATOM 377 N PHE A 461 -2.483 -1.627 -7.492 1.00 0.00 N ATOM 378 CA PHE A 461 -3.170 -0.351 -7.740 1.00 0.00 C ATOM 379 C PHE A 461 -3.460 -0.079 -9.233 1.00 0.00 C ATOM 380 O PHE A 461 -4.162 0.883 -9.548 1.00 0.00 O ATOM 381 CB PHE A 461 -2.390 0.775 -7.043 1.00 0.00 C ATOM 382 CG PHE A 461 -2.453 0.736 -5.520 1.00 0.00 C ATOM 383 CD1 PHE A 461 -1.513 -0.016 -4.788 1.00 0.00 C ATOM 384 CD2 PHE A 461 -3.430 1.473 -4.824 1.00 0.00 C ATOM 385 CE1 PHE A 461 -1.557 -0.054 -3.384 1.00 0.00 C ATOM 386 CE2 PHE A 461 -3.459 1.457 -3.417 1.00 0.00 C ATOM 387 CZ PHE A 461 -2.533 0.685 -2.696 1.00 0.00 C ATOM 0 H PHE A 461 -1.686 -1.787 -8.108 1.00 0.00 H new ATOM 0 HA PHE A 461 -4.168 -0.403 -7.304 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -1.346 0.723 -7.353 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -2.777 1.735 -7.386 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -0.749 -0.570 -5.313 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -4.159 2.052 -5.371 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -0.842 -0.650 -2.836 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.197 2.042 -2.889 1.00 0.00 H new ATOM 0 HZ PHE A 461 -2.572 0.660 -1.617 1.00 0.00 H new ATOM 397 N ARG A 462 -3.044 -0.964 -10.153 1.00 0.00 N ATOM 398 CA ARG A 462 -3.377 -0.903 -11.591 1.00 0.00 C ATOM 399 C ARG A 462 -4.892 -0.989 -11.859 1.00 0.00 C ATOM 400 O ARG A 462 -5.375 -0.469 -12.866 1.00 0.00 O ATOM 401 CB ARG A 462 -2.619 -2.014 -12.349 1.00 0.00 C ATOM 402 CG ARG A 462 -2.422 -1.746 -13.851 1.00 0.00 C ATOM 403 CD ARG A 462 -1.429 -0.601 -14.097 1.00 0.00 C ATOM 404 NE ARG A 462 -1.135 -0.426 -15.530 1.00 0.00 N ATOM 405 CZ ARG A 462 -0.070 0.173 -16.051 1.00 0.00 C ATOM 406 NH1 ARG A 462 0.907 0.647 -15.303 1.00 0.00 N ATOM 407 NH2 ARG A 462 0.023 0.317 -17.355 1.00 0.00 N ATOM 0 H ARG A 462 -2.453 -1.761 -9.915 1.00 0.00 H new ATOM 0 HA ARG A 462 -3.058 0.072 -11.959 1.00 0.00 H new ATOM 0 HB2 ARG A 462 -1.641 -2.149 -11.886 1.00 0.00 H new ATOM 0 HB3 ARG A 462 -3.161 -2.952 -12.229 1.00 0.00 H new ATOM 0 HG2 ARG A 462 -2.061 -2.652 -14.338 1.00 0.00 H new ATOM 0 HG3 ARG A 462 -3.381 -1.500 -14.306 1.00 0.00 H new ATOM 0 HD2 ARG A 462 -1.837 0.326 -13.694 1.00 0.00 H new ATOM 0 HD3 ARG A 462 -0.503 -0.802 -13.558 1.00 0.00 H new ATOM 0 HE ARG A 462 -1.818 -0.802 -16.188 1.00 0.00 H new ATOM 0 HH11 ARG A 462 0.860 0.560 -14.288 1.00 0.00 H new ATOM 0 HH12 ARG A 462 1.709 1.101 -15.740 1.00 0.00 H new ATOM 0 HH21 ARG A 462 -0.720 -0.030 -17.961 1.00 0.00 H new ATOM 0 HH22 ARG A 462 0.839 0.776 -17.761 1.00 0.00 H new ATOM 421 N ARG A 463 -5.655 -1.555 -10.912 1.00 0.00 N ATOM 422 CA ARG A 463 -7.129 -1.562 -10.858 1.00 0.00 C ATOM 423 C ARG A 463 -7.790 -0.163 -10.873 1.00 0.00 C ATOM 424 O ARG A 463 -8.997 -0.071 -11.104 1.00 0.00 O ATOM 425 CB ARG A 463 -7.605 -2.406 -9.653 1.00 0.00 C ATOM 426 CG ARG A 463 -6.950 -2.035 -8.307 1.00 0.00 C ATOM 427 CD ARG A 463 -7.532 -2.841 -7.134 1.00 0.00 C ATOM 428 NE ARG A 463 -6.614 -2.823 -5.979 1.00 0.00 N ATOM 429 CZ ARG A 463 -6.757 -3.437 -4.811 1.00 0.00 C ATOM 430 NH1 ARG A 463 -7.862 -4.061 -4.464 1.00 0.00 N ATOM 431 NH2 ARG A 463 -5.743 -3.425 -3.975 1.00 0.00 N ATOM 0 H ARG A 463 -5.241 -2.047 -10.120 1.00 0.00 H new ATOM 0 HA ARG A 463 -7.464 -2.022 -11.787 1.00 0.00 H new ATOM 0 HB2 ARG A 463 -8.686 -2.300 -9.557 1.00 0.00 H new ATOM 0 HB3 ARG A 463 -7.405 -3.457 -9.861 1.00 0.00 H new ATOM 0 HG2 ARG A 463 -5.876 -2.210 -8.368 1.00 0.00 H new ATOM 0 HG3 ARG A 463 -7.090 -0.971 -8.118 1.00 0.00 H new ATOM 0 HD2 ARG A 463 -8.497 -2.425 -6.844 1.00 0.00 H new ATOM 0 HD3 ARG A 463 -7.710 -3.870 -7.447 1.00 0.00 H new ATOM 0 HE ARG A 463 -5.764 -2.270 -6.092 1.00 0.00 H new ATOM 0 HH11 ARG A 463 -8.656 -4.087 -5.104 1.00 0.00 H new ATOM 0 HH12 ARG A 463 -7.925 -4.519 -3.555 1.00 0.00 H new ATOM 0 HH21 ARG A 463 -4.876 -2.952 -4.231 1.00 0.00 H new ATOM 0 HH22 ARG A 463 -5.823 -3.888 -3.070 1.00 0.00 H new ATOM 445 N PHE A 464 -7.019 0.916 -10.681 1.00 0.00 N ATOM 446 CA PHE A 464 -7.479 2.313 -10.734 1.00 0.00 C ATOM 447 C PHE A 464 -7.039 3.068 -12.003 1.00 0.00 C ATOM 448 O PHE A 464 -7.485 4.194 -12.226 1.00 0.00 O ATOM 449 CB PHE A 464 -6.983 3.015 -9.461 1.00 0.00 C ATOM 450 CG PHE A 464 -7.452 2.333 -8.191 1.00 0.00 C ATOM 451 CD1 PHE A 464 -8.830 2.177 -7.953 1.00 0.00 C ATOM 452 CD2 PHE A 464 -6.524 1.764 -7.298 1.00 0.00 C ATOM 453 CE1 PHE A 464 -9.278 1.452 -6.840 1.00 0.00 C ATOM 454 CE2 PHE A 464 -6.974 1.029 -6.186 1.00 0.00 C ATOM 455 CZ PHE A 464 -8.352 0.875 -5.954 1.00 0.00 C ATOM 0 H PHE A 464 -6.023 0.839 -10.477 1.00 0.00 H new ATOM 0 HA PHE A 464 -8.568 2.316 -10.783 1.00 0.00 H new ATOM 0 HB2 PHE A 464 -5.893 3.046 -9.470 1.00 0.00 H new ATOM 0 HB3 PHE A 464 -7.331 4.048 -9.463 1.00 0.00 H new ATOM 0 HD1 PHE A 464 -9.546 2.618 -8.631 1.00 0.00 H new ATOM 0 HD2 PHE A 464 -5.465 1.892 -7.467 1.00 0.00 H new ATOM 0 HE1 PHE A 464 -10.337 1.337 -6.663 1.00 0.00 H new ATOM 0 HE2 PHE A 464 -6.260 0.583 -5.510 1.00 0.00 H new ATOM 0 HZ PHE A 464 -8.698 0.315 -5.098 1.00 0.00 H new ATOM 465 N GLY A 465 -6.194 2.457 -12.841 1.00 0.00 N ATOM 466 CA GLY A 465 -5.590 3.042 -14.045 1.00 0.00 C ATOM 467 C GLY A 465 -4.054 2.962 -14.031 1.00 0.00 C ATOM 468 O GLY A 465 -3.484 2.421 -13.079 1.00 0.00 O ATOM 0 H GLY A 465 -5.898 1.493 -12.691 1.00 0.00 H new ATOM 0 HA2 GLY A 465 -5.970 2.525 -14.926 1.00 0.00 H new ATOM 0 HA3 GLY A 465 -5.896 4.085 -14.131 1.00 0.00 H new ATOM 472 N PRO A 466 -3.373 3.461 -15.082 1.00 0.00 N ATOM 473 CA PRO A 466 -1.919 3.396 -15.204 1.00 0.00 C ATOM 474 C PRO A 466 -1.201 4.194 -14.109 1.00 0.00 C ATOM 475 O PRO A 466 -1.668 5.256 -13.691 1.00 0.00 O ATOM 476 CB PRO A 466 -1.583 3.925 -16.605 1.00 0.00 C ATOM 477 CG PRO A 466 -2.887 3.757 -17.382 1.00 0.00 C ATOM 478 CD PRO A 466 -3.949 3.991 -16.310 1.00 0.00 C ATOM 0 HA PRO A 466 -1.572 2.371 -15.074 1.00 0.00 H new ATOM 0 HB2 PRO A 466 -1.268 4.968 -16.574 1.00 0.00 H new ATOM 0 HB3 PRO A 466 -0.770 3.360 -17.061 1.00 0.00 H new ATOM 0 HG2 PRO A 466 -2.969 4.477 -18.197 1.00 0.00 H new ATOM 0 HG3 PRO A 466 -2.970 2.764 -17.824 1.00 0.00 H new ATOM 0 HD2 PRO A 466 -4.182 5.051 -16.211 1.00 0.00 H new ATOM 0 HD3 PRO A 466 -4.880 3.482 -16.560 1.00 0.00 H new ATOM 486 N LEU A 467 -0.044 3.685 -13.671 1.00 0.00 N ATOM 487 CA LEU A 467 0.789 4.265 -12.616 1.00 0.00 C ATOM 488 C LEU A 467 2.244 3.765 -12.675 1.00 0.00 C ATOM 489 O LEU A 467 2.549 2.799 -13.378 1.00 0.00 O ATOM 490 CB LEU A 467 0.160 3.987 -11.226 1.00 0.00 C ATOM 491 CG LEU A 467 0.353 2.562 -10.650 1.00 0.00 C ATOM 492 CD1 LEU A 467 0.088 2.583 -9.144 1.00 0.00 C ATOM 493 CD2 LEU A 467 -0.570 1.525 -11.298 1.00 0.00 C ATOM 0 H LEU A 467 0.351 2.827 -14.056 1.00 0.00 H new ATOM 0 HA LEU A 467 0.824 5.342 -12.780 1.00 0.00 H new ATOM 0 HB2 LEU A 467 0.576 4.701 -10.515 1.00 0.00 H new ATOM 0 HB3 LEU A 467 -0.910 4.187 -11.290 1.00 0.00 H new ATOM 0 HG LEU A 467 1.380 2.269 -10.867 1.00 0.00 H new ATOM 0 HD11 LEU A 467 0.223 1.581 -8.737 1.00 0.00 H new ATOM 0 HD12 LEU A 467 0.785 3.268 -8.661 1.00 0.00 H new ATOM 0 HD13 LEU A 467 -0.934 2.915 -8.959 1.00 0.00 H new ATOM 0 HD21 LEU A 467 -0.388 0.547 -10.853 1.00 0.00 H new ATOM 0 HD22 LEU A 467 -1.609 1.810 -11.134 1.00 0.00 H new ATOM 0 HD23 LEU A 467 -0.371 1.479 -12.369 1.00 0.00 H new ATOM 505 N VAL A 468 3.112 4.386 -11.873 1.00 0.00 N ATOM 506 CA VAL A 468 4.476 3.921 -11.561 1.00 0.00 C ATOM 507 C VAL A 468 4.721 4.054 -10.046 1.00 0.00 C ATOM 508 O VAL A 468 4.009 4.801 -9.376 1.00 0.00 O ATOM 509 CB VAL A 468 5.549 4.633 -12.429 1.00 0.00 C ATOM 510 CG1 VAL A 468 5.960 6.022 -11.949 1.00 0.00 C ATOM 511 CG2 VAL A 468 6.793 3.751 -12.588 1.00 0.00 C ATOM 0 H VAL A 468 2.880 5.261 -11.402 1.00 0.00 H new ATOM 0 HA VAL A 468 4.568 2.867 -11.822 1.00 0.00 H new ATOM 0 HB VAL A 468 5.062 4.787 -13.392 1.00 0.00 H new ATOM 0 HG11 VAL A 468 6.712 6.432 -12.623 1.00 0.00 H new ATOM 0 HG12 VAL A 468 5.088 6.676 -11.938 1.00 0.00 H new ATOM 0 HG13 VAL A 468 6.374 5.952 -10.943 1.00 0.00 H new ATOM 0 HG21 VAL A 468 7.531 4.270 -13.200 1.00 0.00 H new ATOM 0 HG22 VAL A 468 7.218 3.541 -11.606 1.00 0.00 H new ATOM 0 HG23 VAL A 468 6.515 2.814 -13.071 1.00 0.00 H new ATOM 521 N VAL A 469 5.690 3.313 -9.498 1.00 0.00 N ATOM 522 CA VAL A 469 5.918 3.167 -8.045 1.00 0.00 C ATOM 523 C VAL A 469 7.362 3.543 -7.686 1.00 0.00 C ATOM 524 O VAL A 469 8.304 3.156 -8.379 1.00 0.00 O ATOM 525 CB VAL A 469 5.595 1.723 -7.589 1.00 0.00 C ATOM 526 CG1 VAL A 469 5.833 1.518 -6.083 1.00 0.00 C ATOM 527 CG2 VAL A 469 4.131 1.360 -7.895 1.00 0.00 C ATOM 0 H VAL A 469 6.356 2.783 -10.060 1.00 0.00 H new ATOM 0 HA VAL A 469 5.249 3.848 -7.519 1.00 0.00 H new ATOM 0 HB VAL A 469 6.271 1.075 -8.147 1.00 0.00 H new ATOM 0 HG11 VAL A 469 5.592 0.490 -5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 469 6.878 1.719 -5.849 1.00 0.00 H new ATOM 0 HG13 VAL A 469 5.197 2.200 -5.518 1.00 0.00 H new ATOM 0 HG21 VAL A 469 3.932 0.341 -7.564 1.00 0.00 H new ATOM 0 HG22 VAL A 469 3.468 2.048 -7.370 1.00 0.00 H new ATOM 0 HG23 VAL A 469 3.954 1.434 -8.968 1.00 0.00 H new ATOM 537 N ASP A 470 7.524 4.298 -6.596 1.00 0.00 N ATOM 538 CA ASP A 470 8.785 4.892 -6.132 1.00 0.00 C ATOM 539 C ASP A 470 8.836 4.993 -4.590 1.00 0.00 C ATOM 540 O ASP A 470 7.813 4.863 -3.918 1.00 0.00 O ATOM 541 CB ASP A 470 8.926 6.273 -6.802 1.00 0.00 C ATOM 542 CG ASP A 470 10.265 6.964 -6.504 1.00 0.00 C ATOM 543 OD1 ASP A 470 11.323 6.363 -6.801 1.00 0.00 O ATOM 544 OD2 ASP A 470 10.250 8.104 -5.982 1.00 0.00 O ATOM 0 H ASP A 470 6.742 4.524 -5.981 1.00 0.00 H new ATOM 0 HA ASP A 470 9.624 4.256 -6.414 1.00 0.00 H new ATOM 0 HB2 ASP A 470 8.818 6.158 -7.880 1.00 0.00 H new ATOM 0 HB3 ASP A 470 8.112 6.916 -6.467 1.00 0.00 H new ATOM 786 N GLY A 485 8.917 -0.216 4.386 1.00 0.00 N ATOM 787 CA GLY A 485 7.523 -0.628 4.637 1.00 0.00 C ATOM 788 C GLY A 485 6.470 0.295 4.011 1.00 0.00 C ATOM 789 O GLY A 485 5.291 0.188 4.345 1.00 0.00 O ATOM 0 HA2 GLY A 485 7.380 -1.637 4.252 1.00 0.00 H new ATOM 0 HA3 GLY A 485 7.357 -0.671 5.713 1.00 0.00 H new ATOM 793 N TYR A 486 6.869 1.190 3.102 1.00 0.00 N ATOM 794 CA TYR A 486 5.988 2.146 2.423 1.00 0.00 C ATOM 795 C TYR A 486 6.472 2.512 1.009 1.00 0.00 C ATOM 796 O TYR A 486 7.640 2.308 0.669 1.00 0.00 O ATOM 797 CB TYR A 486 5.782 3.399 3.298 1.00 0.00 C ATOM 798 CG TYR A 486 6.982 4.312 3.498 1.00 0.00 C ATOM 799 CD1 TYR A 486 7.371 5.215 2.486 1.00 0.00 C ATOM 800 CD2 TYR A 486 7.648 4.333 4.739 1.00 0.00 C ATOM 801 CE1 TYR A 486 8.415 6.131 2.712 1.00 0.00 C ATOM 802 CE2 TYR A 486 8.683 5.258 4.978 1.00 0.00 C ATOM 803 CZ TYR A 486 9.068 6.165 3.964 1.00 0.00 C ATOM 804 OH TYR A 486 10.047 7.082 4.194 1.00 0.00 O ATOM 0 H TYR A 486 7.843 1.272 2.810 1.00 0.00 H new ATOM 0 HA TYR A 486 5.025 1.655 2.286 1.00 0.00 H new ATOM 0 HB2 TYR A 486 4.978 3.989 2.859 1.00 0.00 H new ATOM 0 HB3 TYR A 486 5.438 3.073 4.280 1.00 0.00 H new ATOM 0 HD1 TYR A 486 6.864 5.203 1.532 1.00 0.00 H new ATOM 0 HD2 TYR A 486 7.363 3.635 5.512 1.00 0.00 H new ATOM 0 HE1 TYR A 486 8.717 6.809 1.927 1.00 0.00 H new ATOM 0 HE2 TYR A 486 9.182 5.274 5.935 1.00 0.00 H new ATOM 0 HH TYR A 486 10.392 6.971 5.105 1.00 0.00 H new ATOM 814 N ALA A 487 5.574 3.080 0.198 1.00 0.00 N ATOM 815 CA ALA A 487 5.844 3.539 -1.164 1.00 0.00 C ATOM 816 C ALA A 487 4.967 4.742 -1.544 1.00 0.00 C ATOM 817 O ALA A 487 3.927 4.996 -0.928 1.00 0.00 O ATOM 818 CB ALA A 487 5.637 2.362 -2.131 1.00 0.00 C ATOM 0 H ALA A 487 4.607 3.237 0.483 1.00 0.00 H new ATOM 0 HA ALA A 487 6.876 3.883 -1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 487 5.835 2.690 -3.151 1.00 0.00 H new ATOM 0 HB2 ALA A 487 6.320 1.553 -1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 487 4.609 2.007 -2.057 1.00 0.00 H new ATOM 824 N PHE A 488 5.387 5.453 -2.588 1.00 0.00 N ATOM 825 CA PHE A 488 4.642 6.501 -3.271 1.00 0.00 C ATOM 826 C PHE A 488 4.213 5.996 -4.653 1.00 0.00 C ATOM 827 O PHE A 488 5.042 5.689 -5.512 1.00 0.00 O ATOM 828 CB PHE A 488 5.509 7.762 -3.403 1.00 0.00 C ATOM 829 CG PHE A 488 5.675 8.549 -2.119 1.00 0.00 C ATOM 830 CD1 PHE A 488 6.730 8.253 -1.234 1.00 0.00 C ATOM 831 CD2 PHE A 488 4.781 9.595 -1.816 1.00 0.00 C ATOM 832 CE1 PHE A 488 6.898 9.007 -0.059 1.00 0.00 C ATOM 833 CE2 PHE A 488 4.952 10.349 -0.642 1.00 0.00 C ATOM 834 CZ PHE A 488 6.011 10.059 0.235 1.00 0.00 C ATOM 0 H PHE A 488 6.308 5.303 -3.001 1.00 0.00 H new ATOM 0 HA PHE A 488 3.754 6.756 -2.693 1.00 0.00 H new ATOM 0 HB2 PHE A 488 6.495 7.473 -3.767 1.00 0.00 H new ATOM 0 HB3 PHE A 488 5.069 8.413 -4.158 1.00 0.00 H new ATOM 0 HD1 PHE A 488 7.411 7.445 -1.458 1.00 0.00 H new ATOM 0 HD2 PHE A 488 3.964 9.818 -2.486 1.00 0.00 H new ATOM 0 HE1 PHE A 488 7.708 8.779 0.618 1.00 0.00 H new ATOM 0 HE2 PHE A 488 4.268 11.153 -0.414 1.00 0.00 H new ATOM 0 HZ PHE A 488 6.144 10.643 1.134 1.00 0.00 H new ATOM 844 N LEU A 489 2.900 5.936 -4.864 1.00 0.00 N ATOM 845 CA LEU A 489 2.277 5.703 -6.162 1.00 0.00 C ATOM 846 C LEU A 489 2.221 7.030 -6.921 1.00 0.00 C ATOM 847 O LEU A 489 1.839 8.052 -6.343 1.00 0.00 O ATOM 848 CB LEU A 489 0.847 5.165 -5.978 1.00 0.00 C ATOM 849 CG LEU A 489 0.672 3.982 -5.010 1.00 0.00 C ATOM 850 CD1 LEU A 489 -0.815 3.625 -4.966 1.00 0.00 C ATOM 851 CD2 LEU A 489 1.498 2.751 -5.399 1.00 0.00 C ATOM 0 H LEU A 489 2.221 6.052 -4.112 1.00 0.00 H new ATOM 0 HA LEU A 489 2.860 4.969 -6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 489 0.217 5.984 -5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 489 0.469 4.864 -6.955 1.00 0.00 H new ATOM 0 HG LEU A 489 1.038 4.289 -4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 489 -0.968 2.787 -4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 489 -1.386 4.485 -4.616 1.00 0.00 H new ATOM 0 HD13 LEU A 489 -1.152 3.348 -5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 489 1.328 1.955 -4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 489 1.198 2.410 -6.390 1.00 0.00 H new ATOM 0 HD23 LEU A 489 2.556 3.011 -5.410 1.00 0.00 H new ATOM 863 N LEU A 490 2.548 6.992 -8.210 1.00 0.00 N ATOM 864 CA LEU A 490 2.388 8.087 -9.164 1.00 0.00 C ATOM 865 C LEU A 490 1.398 7.629 -10.238 1.00 0.00 C ATOM 866 O LEU A 490 1.768 6.838 -11.111 1.00 0.00 O ATOM 867 CB LEU A 490 3.749 8.419 -9.812 1.00 0.00 C ATOM 868 CG LEU A 490 4.940 8.715 -8.886 1.00 0.00 C ATOM 869 CD1 LEU A 490 6.177 8.963 -9.761 1.00 0.00 C ATOM 870 CD2 LEU A 490 4.668 9.921 -7.986 1.00 0.00 C ATOM 0 H LEU A 490 2.951 6.158 -8.638 1.00 0.00 H new ATOM 0 HA LEU A 490 2.018 8.981 -8.662 1.00 0.00 H new ATOM 0 HB2 LEU A 490 4.026 7.582 -10.454 1.00 0.00 H new ATOM 0 HB3 LEU A 490 3.607 9.284 -10.460 1.00 0.00 H new ATOM 0 HG LEU A 490 5.105 7.862 -8.229 1.00 0.00 H new ATOM 0 HD11 LEU A 490 7.036 9.176 -9.125 1.00 0.00 H new ATOM 0 HD12 LEU A 490 6.381 8.077 -10.362 1.00 0.00 H new ATOM 0 HD13 LEU A 490 5.993 9.813 -10.418 1.00 0.00 H new ATOM 0 HD21 LEU A 490 5.532 10.099 -7.346 1.00 0.00 H new ATOM 0 HD22 LEU A 490 4.485 10.801 -8.602 1.00 0.00 H new ATOM 0 HD23 LEU A 490 3.793 9.723 -7.367 1.00 0.00 H new ATOM 882 N PHE A 491 0.148 8.090 -10.170 1.00 0.00 N ATOM 883 CA PHE A 491 -0.880 7.756 -11.162 1.00 0.00 C ATOM 884 C PHE A 491 -0.770 8.639 -12.415 1.00 0.00 C ATOM 885 O PHE A 491 -0.253 9.758 -12.365 1.00 0.00 O ATOM 886 CB PHE A 491 -2.272 7.850 -10.522 1.00 0.00 C ATOM 887 CG PHE A 491 -2.565 6.759 -9.507 1.00 0.00 C ATOM 888 CD1 PHE A 491 -3.084 5.516 -9.926 1.00 0.00 C ATOM 889 CD2 PHE A 491 -2.317 6.982 -8.139 1.00 0.00 C ATOM 890 CE1 PHE A 491 -3.347 4.508 -8.982 1.00 0.00 C ATOM 891 CE2 PHE A 491 -2.606 5.981 -7.195 1.00 0.00 C ATOM 892 CZ PHE A 491 -3.122 4.744 -7.617 1.00 0.00 C ATOM 0 H PHE A 491 -0.182 8.705 -9.427 1.00 0.00 H new ATOM 0 HA PHE A 491 -0.720 6.730 -11.492 1.00 0.00 H new ATOM 0 HB2 PHE A 491 -2.371 8.820 -10.035 1.00 0.00 H new ATOM 0 HB3 PHE A 491 -3.025 7.810 -11.309 1.00 0.00 H new ATOM 0 HD1 PHE A 491 -3.280 5.339 -10.973 1.00 0.00 H new ATOM 0 HD2 PHE A 491 -1.903 7.925 -7.814 1.00 0.00 H new ATOM 0 HE1 PHE A 491 -3.723 3.550 -9.308 1.00 0.00 H new ATOM 0 HE2 PHE A 491 -2.431 6.163 -6.145 1.00 0.00 H new ATOM 0 HZ PHE A 491 -3.345 3.976 -6.892 1.00 0.00 H new ATOM 902 N GLN A 492 -1.281 8.144 -13.544 1.00 0.00 N ATOM 903 CA GLN A 492 -1.278 8.862 -14.824 1.00 0.00 C ATOM 904 C GLN A 492 -2.346 9.969 -14.891 1.00 0.00 C ATOM 905 O GLN A 492 -2.156 10.955 -15.602 1.00 0.00 O ATOM 906 CB GLN A 492 -1.460 7.825 -15.945 1.00 0.00 C ATOM 907 CG GLN A 492 -1.365 8.379 -17.380 1.00 0.00 C ATOM 908 CD GLN A 492 -0.040 9.081 -17.701 1.00 0.00 C ATOM 909 OE1 GLN A 492 1.019 8.768 -17.169 1.00 0.00 O ATOM 910 NE2 GLN A 492 -0.039 10.062 -18.582 1.00 0.00 N ATOM 0 H GLN A 492 -1.714 7.222 -13.598 1.00 0.00 H new ATOM 0 HA GLN A 492 -0.327 9.381 -14.941 1.00 0.00 H new ATOM 0 HB2 GLN A 492 -0.706 7.047 -15.823 1.00 0.00 H new ATOM 0 HB3 GLN A 492 -2.432 7.348 -15.821 1.00 0.00 H new ATOM 0 HG2 GLN A 492 -1.507 7.559 -18.083 1.00 0.00 H new ATOM 0 HG3 GLN A 492 -2.183 9.082 -17.540 1.00 0.00 H new ATOM 0 HE21 GLN A 492 -0.909 10.339 -19.037 1.00 0.00 H new ATOM 0 HE22 GLN A 492 0.831 10.543 -18.808 1.00 0.00 H new ATOM 919 N GLU A 493 -3.439 9.840 -14.130 1.00 0.00 N ATOM 920 CA GLU A 493 -4.562 10.787 -14.091 1.00 0.00 C ATOM 921 C GLU A 493 -5.107 10.936 -12.662 1.00 0.00 C ATOM 922 O GLU A 493 -5.124 9.978 -11.885 1.00 0.00 O ATOM 923 CB GLU A 493 -5.693 10.335 -15.035 1.00 0.00 C ATOM 924 CG GLU A 493 -5.287 10.312 -16.515 1.00 0.00 C ATOM 925 CD GLU A 493 -6.494 10.034 -17.423 1.00 0.00 C ATOM 926 OE1 GLU A 493 -7.186 11.000 -17.828 1.00 0.00 O ATOM 927 OE2 GLU A 493 -6.744 8.855 -17.765 1.00 0.00 O ATOM 0 H GLU A 493 -3.572 9.047 -13.503 1.00 0.00 H new ATOM 0 HA GLU A 493 -4.189 11.755 -14.426 1.00 0.00 H new ATOM 0 HB2 GLU A 493 -6.023 9.338 -14.742 1.00 0.00 H new ATOM 0 HB3 GLU A 493 -6.546 11.002 -14.911 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -4.839 11.268 -16.786 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -4.527 9.547 -16.673 1.00 0.00 H new ATOM 934 N GLU A 494 -5.578 12.137 -12.308 1.00 0.00 N ATOM 935 CA GLU A 494 -6.171 12.422 -10.991 1.00 0.00 C ATOM 936 C GLU A 494 -7.448 11.598 -10.743 1.00 0.00 C ATOM 937 O GLU A 494 -7.737 11.208 -9.611 1.00 0.00 O ATOM 938 CB GLU A 494 -6.490 13.921 -10.865 1.00 0.00 C ATOM 939 CG GLU A 494 -5.231 14.800 -10.837 1.00 0.00 C ATOM 940 CD GLU A 494 -5.603 16.289 -10.829 1.00 0.00 C ATOM 941 OE1 GLU A 494 -5.781 16.867 -9.730 1.00 0.00 O ATOM 942 OE2 GLU A 494 -5.711 16.893 -11.923 1.00 0.00 O ATOM 0 H GLU A 494 -5.560 12.946 -12.929 1.00 0.00 H new ATOM 0 HA GLU A 494 -5.437 12.137 -10.237 1.00 0.00 H new ATOM 0 HB2 GLU A 494 -7.120 14.225 -11.701 1.00 0.00 H new ATOM 0 HB3 GLU A 494 -7.065 14.090 -9.954 1.00 0.00 H new ATOM 0 HG2 GLU A 494 -4.638 14.564 -9.953 1.00 0.00 H new ATOM 0 HG3 GLU A 494 -4.610 14.581 -11.706 1.00 0.00 H new ATOM 949 N SER A 495 -8.178 11.240 -11.801 1.00 0.00 N ATOM 950 CA SER A 495 -9.332 10.336 -11.735 1.00 0.00 C ATOM 951 C SER A 495 -8.970 8.938 -11.208 1.00 0.00 C ATOM 952 O SER A 495 -9.801 8.295 -10.570 1.00 0.00 O ATOM 953 CB SER A 495 -9.997 10.243 -13.118 1.00 0.00 C ATOM 954 OG SER A 495 -9.050 9.937 -14.136 1.00 0.00 O ATOM 0 H SER A 495 -7.982 11.575 -12.744 1.00 0.00 H new ATOM 0 HA SER A 495 -10.035 10.758 -11.017 1.00 0.00 H new ATOM 0 HB2 SER A 495 -10.772 9.477 -13.099 1.00 0.00 H new ATOM 0 HB3 SER A 495 -10.489 11.188 -13.350 1.00 0.00 H new ATOM 0 HG SER A 495 -9.506 9.884 -15.002 1.00 0.00 H new ATOM 960 N SER A 496 -7.720 8.484 -11.360 1.00 0.00 N ATOM 961 CA SER A 496 -7.241 7.237 -10.749 1.00 0.00 C ATOM 962 C SER A 496 -7.040 7.381 -9.231 1.00 0.00 C ATOM 963 O SER A 496 -7.271 6.427 -8.489 1.00 0.00 O ATOM 964 CB SER A 496 -5.918 6.799 -11.390 1.00 0.00 C ATOM 965 OG SER A 496 -5.995 6.711 -12.807 1.00 0.00 O ATOM 0 H SER A 496 -7.012 8.970 -11.910 1.00 0.00 H new ATOM 0 HA SER A 496 -8.007 6.482 -10.925 1.00 0.00 H new ATOM 0 HB2 SER A 496 -5.135 7.506 -11.116 1.00 0.00 H new ATOM 0 HB3 SER A 496 -5.627 5.830 -10.986 1.00 0.00 H new ATOM 0 HG SER A 496 -6.468 5.890 -13.059 1.00 0.00 H new ATOM 971 N VAL A 497 -6.687 8.580 -8.749 1.00 0.00 N ATOM 972 CA VAL A 497 -6.589 8.864 -7.305 1.00 0.00 C ATOM 973 C VAL A 497 -7.994 8.938 -6.696 1.00 0.00 C ATOM 974 O VAL A 497 -8.225 8.391 -5.621 1.00 0.00 O ATOM 975 CB VAL A 497 -5.785 10.151 -7.001 1.00 0.00 C ATOM 976 CG1 VAL A 497 -5.674 10.400 -5.486 1.00 0.00 C ATOM 977 CG2 VAL A 497 -4.368 10.075 -7.594 1.00 0.00 C ATOM 0 H VAL A 497 -6.462 9.378 -9.342 1.00 0.00 H new ATOM 0 HA VAL A 497 -6.036 8.044 -6.845 1.00 0.00 H new ATOM 0 HB VAL A 497 -6.328 10.976 -7.462 1.00 0.00 H new ATOM 0 HG11 VAL A 497 -5.103 11.311 -5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 497 -6.672 10.508 -5.061 1.00 0.00 H new ATOM 0 HG13 VAL A 497 -5.168 9.557 -5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 497 -3.828 10.993 -7.364 1.00 0.00 H new ATOM 0 HG22 VAL A 497 -3.839 9.225 -7.164 1.00 0.00 H new ATOM 0 HG23 VAL A 497 -4.432 9.953 -8.675 1.00 0.00 H new ATOM 987 N GLN A 498 -8.962 9.534 -7.402 1.00 0.00 N ATOM 988 CA GLN A 498 -10.362 9.544 -6.972 1.00 0.00 C ATOM 989 C GLN A 498 -10.986 8.141 -6.998 1.00 0.00 C ATOM 990 O GLN A 498 -11.737 7.801 -6.086 1.00 0.00 O ATOM 991 CB GLN A 498 -11.145 10.509 -7.877 1.00 0.00 C ATOM 992 CG GLN A 498 -12.641 10.650 -7.540 1.00 0.00 C ATOM 993 CD GLN A 498 -12.912 11.127 -6.111 1.00 0.00 C ATOM 994 OE1 GLN A 498 -12.988 12.315 -5.824 1.00 0.00 O ATOM 995 NE2 GLN A 498 -13.065 10.225 -5.162 1.00 0.00 N ATOM 0 H GLN A 498 -8.796 10.020 -8.283 1.00 0.00 H new ATOM 0 HA GLN A 498 -10.408 9.881 -5.936 1.00 0.00 H new ATOM 0 HB2 GLN A 498 -10.681 11.494 -7.820 1.00 0.00 H new ATOM 0 HB3 GLN A 498 -11.051 10.172 -8.909 1.00 0.00 H new ATOM 0 HG2 GLN A 498 -13.096 11.351 -8.239 1.00 0.00 H new ATOM 0 HG3 GLN A 498 -13.130 9.687 -7.690 1.00 0.00 H new ATOM 0 HE21 GLN A 498 -13.004 9.232 -5.388 1.00 0.00 H new ATOM 0 HE22 GLN A 498 -13.244 10.520 -4.202 1.00 0.00 H new ATOM 1004 N ALA A 499 -10.657 7.310 -7.993 1.00 0.00 N ATOM 1005 CA ALA A 499 -11.088 5.909 -8.045 1.00 0.00 C ATOM 1006 C ALA A 499 -10.537 5.083 -6.870 1.00 0.00 C ATOM 1007 O ALA A 499 -11.260 4.252 -6.315 1.00 0.00 O ATOM 1008 CB ALA A 499 -10.667 5.290 -9.382 1.00 0.00 C ATOM 0 H ALA A 499 -10.082 7.591 -8.787 1.00 0.00 H new ATOM 0 HA ALA A 499 -12.174 5.892 -7.959 1.00 0.00 H new ATOM 0 HB1 ALA A 499 -10.988 4.249 -9.418 1.00 0.00 H new ATOM 0 HB2 ALA A 499 -11.130 5.841 -10.200 1.00 0.00 H new ATOM 0 HB3 ALA A 499 -9.582 5.339 -9.480 1.00 0.00 H new ATOM 1014 N LEU A 500 -9.290 5.345 -6.456 1.00 0.00 N ATOM 1015 CA LEU A 500 -8.710 4.771 -5.243 1.00 0.00 C ATOM 1016 C LEU A 500 -9.474 5.243 -3.997 1.00 0.00 C ATOM 1017 O LEU A 500 -9.896 4.414 -3.196 1.00 0.00 O ATOM 1018 CB LEU A 500 -7.203 5.092 -5.205 1.00 0.00 C ATOM 1019 CG LEU A 500 -6.483 4.754 -3.883 1.00 0.00 C ATOM 1020 CD1 LEU A 500 -6.652 3.291 -3.466 1.00 0.00 C ATOM 1021 CD2 LEU A 500 -4.987 5.048 -4.047 1.00 0.00 C ATOM 0 H LEU A 500 -8.655 5.965 -6.959 1.00 0.00 H new ATOM 0 HA LEU A 500 -8.810 3.686 -5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -6.714 4.549 -6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -7.071 6.155 -5.409 1.00 0.00 H new ATOM 0 HG LEU A 500 -6.933 5.369 -3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -6.123 3.116 -2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -7.711 3.071 -3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -6.243 2.642 -4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -4.466 4.813 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -4.583 4.438 -4.854 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -4.847 6.103 -4.285 1.00 0.00 H new ATOM 1033 N ILE A 501 -9.716 6.551 -3.856 1.00 0.00 N ATOM 1034 CA ILE A 501 -10.496 7.131 -2.742 1.00 0.00 C ATOM 1035 C ILE A 501 -11.897 6.497 -2.649 1.00 0.00 C ATOM 1036 O ILE A 501 -12.345 6.151 -1.556 1.00 0.00 O ATOM 1037 CB ILE A 501 -10.565 8.672 -2.881 1.00 0.00 C ATOM 1038 CG1 ILE A 501 -9.172 9.309 -2.676 1.00 0.00 C ATOM 1039 CG2 ILE A 501 -11.564 9.279 -1.873 1.00 0.00 C ATOM 1040 CD1 ILE A 501 -9.050 10.753 -3.180 1.00 0.00 C ATOM 0 H ILE A 501 -9.375 7.250 -4.516 1.00 0.00 H new ATOM 0 HA ILE A 501 -9.986 6.902 -1.806 1.00 0.00 H new ATOM 0 HB ILE A 501 -10.910 8.891 -3.892 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -8.930 9.287 -1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -8.428 8.696 -3.185 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -11.591 10.362 -1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -12.558 8.869 -2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 501 -11.250 9.035 -0.858 1.00 0.00 H new ATOM 0 HD11 ILE A 501 -8.040 11.119 -2.995 1.00 0.00 H new ATOM 0 HD12 ILE A 501 -9.257 10.784 -4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 501 -9.766 11.384 -2.654 1.00 0.00 H new ATOM 1052 N ASP A 502 -12.565 6.287 -3.785 1.00 0.00 N ATOM 1053 CA ASP A 502 -13.901 5.681 -3.872 1.00 0.00 C ATOM 1054 C ASP A 502 -13.923 4.176 -3.518 1.00 0.00 C ATOM 1055 O ASP A 502 -14.981 3.640 -3.183 1.00 0.00 O ATOM 1056 CB ASP A 502 -14.457 5.936 -5.283 1.00 0.00 C ATOM 1057 CG ASP A 502 -15.925 5.502 -5.433 1.00 0.00 C ATOM 1058 OD1 ASP A 502 -16.804 6.138 -4.803 1.00 0.00 O ATOM 1059 OD2 ASP A 502 -16.200 4.557 -6.210 1.00 0.00 O ATOM 0 H ASP A 502 -12.184 6.540 -4.697 1.00 0.00 H new ATOM 0 HA ASP A 502 -14.537 6.152 -3.122 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -14.371 6.997 -5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -13.848 5.400 -6.011 1.00 0.00 H new ATOM 1064 N ALA A 503 -12.764 3.505 -3.537 1.00 0.00 N ATOM 1065 CA ALA A 503 -12.595 2.106 -3.137 1.00 0.00 C ATOM 1066 C ALA A 503 -12.029 1.940 -1.712 1.00 0.00 C ATOM 1067 O ALA A 503 -12.078 0.837 -1.159 1.00 0.00 O ATOM 1068 CB ALA A 503 -11.692 1.428 -4.174 1.00 0.00 C ATOM 0 H ALA A 503 -11.891 3.937 -3.841 1.00 0.00 H new ATOM 0 HA ALA A 503 -13.577 1.633 -3.107 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -11.547 0.382 -3.902 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -12.159 1.486 -5.157 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -10.726 1.933 -4.201 1.00 0.00 H new ATOM 1074 N CYS A 504 -11.513 3.012 -1.102 1.00 0.00 N ATOM 1075 CA CYS A 504 -10.912 2.978 0.230 1.00 0.00 C ATOM 1076 C CYS A 504 -11.944 2.878 1.368 1.00 0.00 C ATOM 1077 O CYS A 504 -13.044 3.437 1.308 1.00 0.00 O ATOM 1078 CB CYS A 504 -10.053 4.234 0.438 1.00 0.00 C ATOM 1079 SG CYS A 504 -8.459 4.091 -0.414 1.00 0.00 S ATOM 0 H CYS A 504 -11.502 3.939 -1.528 1.00 0.00 H new ATOM 0 HA CYS A 504 -10.304 2.074 0.273 1.00 0.00 H new ATOM 0 HB2 CYS A 504 -10.588 5.109 0.068 1.00 0.00 H new ATOM 0 HB3 CYS A 504 -9.885 4.390 1.504 1.00 0.00 H new ATOM 0 HG CYS A 504 -8.641 4.202 -1.696 1.00 0.00 H new ATOM 1085 N LEU A 505 -11.532 2.191 2.435 1.00 0.00 N ATOM 1086 CA LEU A 505 -12.170 2.203 3.753 1.00 0.00 C ATOM 1087 C LEU A 505 -11.651 3.437 4.514 1.00 0.00 C ATOM 1088 O LEU A 505 -10.786 4.161 4.016 1.00 0.00 O ATOM 1089 CB LEU A 505 -11.828 0.895 4.500 1.00 0.00 C ATOM 1090 CG LEU A 505 -12.327 -0.389 3.812 1.00 0.00 C ATOM 1091 CD1 LEU A 505 -11.799 -1.615 4.571 1.00 0.00 C ATOM 1092 CD2 LEU A 505 -13.860 -0.452 3.729 1.00 0.00 C ATOM 0 H LEU A 505 -10.711 1.586 2.403 1.00 0.00 H new ATOM 0 HA LEU A 505 -13.255 2.262 3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 505 -10.746 0.831 4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 505 -12.254 0.943 5.502 1.00 0.00 H new ATOM 0 HG LEU A 505 -11.947 -0.383 2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 505 -12.152 -2.524 4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 505 -10.709 -1.602 4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 505 -12.161 -1.590 5.599 1.00 0.00 H new ATOM 0 HD21 LEU A 505 -14.160 -1.376 3.236 1.00 0.00 H new ATOM 0 HD22 LEU A 505 -14.280 -0.424 4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 505 -14.229 0.400 3.158 1.00 0.00 H new ATOM 1104 N GLU A 506 -12.139 3.668 5.731 1.00 0.00 N ATOM 1105 CA GLU A 506 -11.772 4.838 6.538 1.00 0.00 C ATOM 1106 C GLU A 506 -11.727 4.494 8.036 1.00 0.00 C ATOM 1107 O GLU A 506 -12.630 3.832 8.554 1.00 0.00 O ATOM 1108 CB GLU A 506 -12.747 5.992 6.242 1.00 0.00 C ATOM 1109 CG GLU A 506 -12.271 7.334 6.813 1.00 0.00 C ATOM 1110 CD GLU A 506 -13.306 8.438 6.551 1.00 0.00 C ATOM 1111 OE1 GLU A 506 -14.260 8.578 7.354 1.00 0.00 O ATOM 1112 OE2 GLU A 506 -13.172 9.179 5.550 1.00 0.00 O ATOM 0 H GLU A 506 -12.805 3.047 6.191 1.00 0.00 H new ATOM 0 HA GLU A 506 -10.766 5.157 6.265 1.00 0.00 H new ATOM 0 HB2 GLU A 506 -12.875 6.086 5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 506 -13.725 5.751 6.659 1.00 0.00 H new ATOM 0 HG2 GLU A 506 -12.100 7.237 7.885 1.00 0.00 H new ATOM 0 HG3 GLU A 506 -11.318 7.609 6.361 1.00 0.00 H new ATOM 1175 N LEU A 511 -7.478 6.900 5.230 1.00 0.00 N ATOM 1176 CA LEU A 511 -8.026 5.923 4.285 1.00 0.00 C ATOM 1177 C LEU A 511 -7.214 4.620 4.309 1.00 0.00 C ATOM 1178 O LEU A 511 -6.023 4.626 4.618 1.00 0.00 O ATOM 1179 CB LEU A 511 -8.059 6.541 2.873 1.00 0.00 C ATOM 1180 CG LEU A 511 -9.005 7.746 2.692 1.00 0.00 C ATOM 1181 CD1 LEU A 511 -8.899 8.248 1.244 1.00 0.00 C ATOM 1182 CD2 LEU A 511 -10.470 7.406 3.012 1.00 0.00 C ATOM 0 HA LEU A 511 -9.044 5.670 4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 511 -7.048 6.853 2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 511 -8.348 5.766 2.164 1.00 0.00 H new ATOM 0 HG LEU A 511 -8.696 8.518 3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 511 -9.564 9.100 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 511 -7.872 8.551 1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 511 -9.185 7.449 0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 511 -11.089 8.291 2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 511 -10.812 6.612 2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 511 -10.549 7.074 4.047 1.00 0.00 H new ATOM 1194 N TYR A 512 -7.850 3.499 3.957 1.00 0.00 N ATOM 1195 CA TYR A 512 -7.213 2.173 3.906 1.00 0.00 C ATOM 1196 C TYR A 512 -7.674 1.326 2.708 1.00 0.00 C ATOM 1197 O TYR A 512 -8.828 1.398 2.286 1.00 0.00 O ATOM 1198 CB TYR A 512 -7.430 1.403 5.224 1.00 0.00 C ATOM 1199 CG TYR A 512 -6.691 1.969 6.424 1.00 0.00 C ATOM 1200 CD1 TYR A 512 -7.240 3.031 7.169 1.00 0.00 C ATOM 1201 CD2 TYR A 512 -5.442 1.429 6.794 1.00 0.00 C ATOM 1202 CE1 TYR A 512 -6.532 3.575 8.258 1.00 0.00 C ATOM 1203 CE2 TYR A 512 -4.737 1.958 7.891 1.00 0.00 C ATOM 1204 CZ TYR A 512 -5.278 3.038 8.623 1.00 0.00 C ATOM 1205 OH TYR A 512 -4.589 3.555 9.677 1.00 0.00 O ATOM 0 H TYR A 512 -8.836 3.483 3.695 1.00 0.00 H new ATOM 0 HA TYR A 512 -6.147 2.355 3.771 1.00 0.00 H new ATOM 0 HB2 TYR A 512 -8.497 1.387 5.447 1.00 0.00 H new ATOM 0 HB3 TYR A 512 -7.119 0.368 5.079 1.00 0.00 H new ATOM 0 HD1 TYR A 512 -8.208 3.430 6.904 1.00 0.00 H new ATOM 0 HD2 TYR A 512 -5.025 0.606 6.233 1.00 0.00 H new ATOM 0 HE1 TYR A 512 -6.948 4.402 8.814 1.00 0.00 H new ATOM 0 HE2 TYR A 512 -3.783 1.538 8.173 1.00 0.00 H new ATOM 0 HH TYR A 512 -4.048 2.851 10.091 1.00 0.00 H new ATOM 1215 N LEU A 513 -6.776 0.480 2.197 1.00 0.00 N ATOM 1216 CA LEU A 513 -7.030 -0.506 1.137 1.00 0.00 C ATOM 1217 C LEU A 513 -6.396 -1.854 1.527 1.00 0.00 C ATOM 1218 O LEU A 513 -5.672 -1.923 2.521 1.00 0.00 O ATOM 1219 CB LEU A 513 -6.462 0.040 -0.194 1.00 0.00 C ATOM 1220 CG LEU A 513 -7.211 -0.470 -1.440 1.00 0.00 C ATOM 1221 CD1 LEU A 513 -8.503 0.336 -1.650 1.00 0.00 C ATOM 1222 CD2 LEU A 513 -6.333 -0.353 -2.688 1.00 0.00 C ATOM 0 H LEU A 513 -5.810 0.461 2.523 1.00 0.00 H new ATOM 0 HA LEU A 513 -8.100 -0.673 1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -6.502 1.129 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 513 -5.411 -0.239 -0.273 1.00 0.00 H new ATOM 0 HG LEU A 513 -7.458 -1.519 -1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -9.023 -0.034 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -9.147 0.226 -0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 513 -8.257 1.389 -1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -6.883 -0.719 -3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -6.061 0.691 -2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -5.429 -0.947 -2.554 1.00 0.00 H new ATOM 1234 N CYS A 514 -6.637 -2.918 0.755 1.00 0.00 N ATOM 1235 CA CYS A 514 -6.126 -4.272 1.002 1.00 0.00 C ATOM 1236 C CYS A 514 -5.169 -4.757 -0.110 1.00 0.00 C ATOM 1237 O CYS A 514 -5.418 -4.519 -1.296 1.00 0.00 O ATOM 1238 CB CYS A 514 -7.329 -5.211 1.208 1.00 0.00 C ATOM 1239 SG CYS A 514 -8.418 -5.220 -0.251 1.00 0.00 S ATOM 0 H CYS A 514 -7.211 -2.860 -0.086 1.00 0.00 H new ATOM 0 HA CYS A 514 -5.515 -4.270 1.905 1.00 0.00 H new ATOM 0 HB2 CYS A 514 -6.974 -6.222 1.406 1.00 0.00 H new ATOM 0 HB3 CYS A 514 -7.894 -4.894 2.085 1.00 0.00 H new ATOM 0 HG CYS A 514 -7.726 -4.925 -1.311 1.00 0.00 H new ATOM 1245 N VAL A 515 -4.095 -5.454 0.280 1.00 0.00 N ATOM 1246 CA VAL A 515 -3.031 -6.008 -0.593 1.00 0.00 C ATOM 1247 C VAL A 515 -2.480 -7.323 -0.006 1.00 0.00 C ATOM 1248 O VAL A 515 -2.903 -7.736 1.072 1.00 0.00 O ATOM 1249 CB VAL A 515 -1.877 -4.996 -0.837 1.00 0.00 C ATOM 1250 CG1 VAL A 515 -2.363 -3.692 -1.493 1.00 0.00 C ATOM 1251 CG2 VAL A 515 -1.104 -4.654 0.448 1.00 0.00 C ATOM 0 H VAL A 515 -3.928 -5.663 1.264 1.00 0.00 H new ATOM 0 HA VAL A 515 -3.487 -6.213 -1.561 1.00 0.00 H new ATOM 0 HB VAL A 515 -1.202 -5.505 -1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -1.516 -3.021 -1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -2.819 -3.918 -2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -3.098 -3.212 -0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -0.310 -3.943 0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -1.785 -4.213 1.176 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -0.668 -5.563 0.863 1.00 0.00 H new ATOM 1261 N SER A 516 -1.530 -7.988 -0.674 1.00 0.00 N ATOM 1262 CA SER A 516 -0.929 -9.245 -0.188 1.00 0.00 C ATOM 1263 C SER A 516 0.428 -9.595 -0.832 1.00 0.00 C ATOM 1264 O SER A 516 0.873 -8.962 -1.791 1.00 0.00 O ATOM 1265 CB SER A 516 -1.925 -10.410 -0.346 1.00 0.00 C ATOM 1266 OG SER A 516 -2.187 -10.762 -1.697 1.00 0.00 O ATOM 0 H SER A 516 -1.153 -7.673 -1.568 1.00 0.00 H new ATOM 0 HA SER A 516 -0.713 -9.082 0.868 1.00 0.00 H new ATOM 0 HB2 SER A 516 -1.535 -11.283 0.178 1.00 0.00 H new ATOM 0 HB3 SER A 516 -2.864 -10.141 0.138 1.00 0.00 H new ATOM 0 HG SER A 516 -3.126 -11.027 -1.790 1.00 0.00 H new ATOM 1272 N SER A 517 1.094 -10.620 -0.298 1.00 0.00 N ATOM 1273 CA SER A 517 2.421 -11.112 -0.692 1.00 0.00 C ATOM 1274 C SER A 517 2.532 -12.643 -0.474 1.00 0.00 C ATOM 1275 O SER A 517 1.572 -13.262 0.010 1.00 0.00 O ATOM 1276 CB SER A 517 3.473 -10.367 0.149 1.00 0.00 C ATOM 1277 OG SER A 517 3.447 -10.845 1.487 1.00 0.00 O ATOM 0 H SER A 517 0.699 -11.164 0.469 1.00 0.00 H new ATOM 0 HA SER A 517 2.586 -10.925 -1.753 1.00 0.00 H new ATOM 0 HB2 SER A 517 4.464 -10.513 -0.280 1.00 0.00 H new ATOM 0 HB3 SER A 517 3.273 -9.296 0.132 1.00 0.00 H new ATOM 0 HG SER A 517 2.758 -10.366 1.992 1.00 0.00 H new ATOM 1283 N PRO A 518 3.687 -13.281 -0.767 1.00 0.00 N ATOM 1284 CA PRO A 518 3.951 -14.673 -0.401 1.00 0.00 C ATOM 1285 C PRO A 518 4.038 -14.919 1.116 1.00 0.00 C ATOM 1286 O PRO A 518 4.027 -16.080 1.531 1.00 0.00 O ATOM 1287 CB PRO A 518 5.274 -15.047 -1.084 1.00 0.00 C ATOM 1288 CG PRO A 518 5.403 -14.027 -2.213 1.00 0.00 C ATOM 1289 CD PRO A 518 4.780 -12.785 -1.589 1.00 0.00 C ATOM 0 HA PRO A 518 3.117 -15.293 -0.730 1.00 0.00 H new ATOM 0 HB2 PRO A 518 6.113 -14.985 -0.391 1.00 0.00 H new ATOM 0 HB3 PRO A 518 5.252 -16.067 -1.467 1.00 0.00 H new ATOM 0 HG2 PRO A 518 6.442 -13.863 -2.498 1.00 0.00 H new ATOM 0 HG3 PRO A 518 4.872 -14.343 -3.111 1.00 0.00 H new ATOM 0 HD2 PRO A 518 5.507 -12.238 -0.989 1.00 0.00 H new ATOM 0 HD3 PRO A 518 4.418 -12.099 -2.354 1.00 0.00 H new ATOM 1297 N THR A 519 4.121 -13.860 1.940 1.00 0.00 N ATOM 1298 CA THR A 519 4.272 -13.939 3.402 1.00 0.00 C ATOM 1299 C THR A 519 3.026 -13.499 4.160 1.00 0.00 C ATOM 1300 O THR A 519 2.734 -14.089 5.200 1.00 0.00 O ATOM 1301 CB THR A 519 5.489 -13.134 3.875 1.00 0.00 C ATOM 1302 OG1 THR A 519 5.423 -11.814 3.378 1.00 0.00 O ATOM 1303 CG2 THR A 519 6.797 -13.766 3.396 1.00 0.00 C ATOM 0 H THR A 519 4.084 -12.900 1.597 1.00 0.00 H new ATOM 0 HA THR A 519 4.427 -14.994 3.630 1.00 0.00 H new ATOM 0 HB THR A 519 5.472 -13.130 4.965 1.00 0.00 H new ATOM 0 HG1 THR A 519 4.586 -11.692 2.884 1.00 0.00 H new ATOM 0 HG21 THR A 519 7.639 -13.171 3.749 1.00 0.00 H new ATOM 0 HG22 THR A 519 6.878 -14.779 3.791 1.00 0.00 H new ATOM 0 HG23 THR A 519 6.807 -13.800 2.307 1.00 0.00 H new ATOM 1311 N ILE A 520 2.256 -12.530 3.647 1.00 0.00 N ATOM 1312 CA ILE A 520 1.051 -11.986 4.302 1.00 0.00 C ATOM 1313 C ILE A 520 -0.116 -11.900 3.316 1.00 0.00 C ATOM 1314 O ILE A 520 0.003 -11.340 2.225 1.00 0.00 O ATOM 1315 CB ILE A 520 1.304 -10.585 4.921 1.00 0.00 C ATOM 1316 CG1 ILE A 520 2.649 -10.386 5.660 1.00 0.00 C ATOM 1317 CG2 ILE A 520 0.127 -10.233 5.853 1.00 0.00 C ATOM 1318 CD1 ILE A 520 2.801 -11.108 7.002 1.00 0.00 C ATOM 0 H ILE A 520 2.454 -12.091 2.748 1.00 0.00 H new ATOM 0 HA ILE A 520 0.797 -12.675 5.108 1.00 0.00 H new ATOM 0 HB ILE A 520 1.375 -9.906 4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 520 3.453 -10.716 5.002 1.00 0.00 H new ATOM 0 HG13 ILE A 520 2.792 -9.319 5.828 1.00 0.00 H new ATOM 0 HG21 ILE A 520 0.294 -9.250 6.294 1.00 0.00 H new ATOM 0 HG22 ILE A 520 -0.800 -10.221 5.280 1.00 0.00 H new ATOM 0 HG23 ILE A 520 0.054 -10.979 6.645 1.00 0.00 H new ATOM 0 HD11 ILE A 520 3.783 -10.892 7.422 1.00 0.00 H new ATOM 0 HD12 ILE A 520 2.028 -10.764 7.690 1.00 0.00 H new ATOM 0 HD13 ILE A 520 2.700 -12.183 6.851 1.00 0.00 H new ATOM 1330 N LYS A 521 -1.273 -12.408 3.735 1.00 0.00 N ATOM 1331 CA LYS A 521 -2.529 -12.384 2.981 1.00 0.00 C ATOM 1332 C LYS A 521 -3.564 -11.457 3.651 1.00 0.00 C ATOM 1333 O LYS A 521 -3.649 -11.399 4.879 1.00 0.00 O ATOM 1334 CB LYS A 521 -3.033 -13.832 2.845 1.00 0.00 C ATOM 1335 CG LYS A 521 -2.105 -14.779 2.054 1.00 0.00 C ATOM 1336 CD LYS A 521 -1.730 -14.335 0.629 1.00 0.00 C ATOM 1337 CE LYS A 521 -2.958 -14.157 -0.280 1.00 0.00 C ATOM 1338 NZ LYS A 521 -2.582 -13.696 -1.644 1.00 0.00 N ATOM 0 H LYS A 521 -1.367 -12.865 4.642 1.00 0.00 H new ATOM 0 HA LYS A 521 -2.366 -11.972 1.985 1.00 0.00 H new ATOM 0 HB2 LYS A 521 -3.180 -14.244 3.843 1.00 0.00 H new ATOM 0 HB3 LYS A 521 -4.009 -13.816 2.360 1.00 0.00 H new ATOM 0 HG2 LYS A 521 -1.185 -14.911 2.624 1.00 0.00 H new ATOM 0 HG3 LYS A 521 -2.585 -15.756 1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 521 -1.181 -13.395 0.679 1.00 0.00 H new ATOM 0 HD3 LYS A 521 -1.060 -15.073 0.187 1.00 0.00 H new ATOM 0 HE2 LYS A 521 -3.495 -15.103 -0.353 1.00 0.00 H new ATOM 0 HE3 LYS A 521 -3.641 -13.437 0.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 521 -3.415 -13.735 -2.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 521 -2.232 -12.718 -1.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 521 -1.836 -14.312 -2.025 1.00 0.00 H new ATOM 1352 N ASP A 522 -4.327 -10.720 2.833 1.00 0.00 N ATOM 1353 CA ASP A 522 -5.370 -9.752 3.274 1.00 0.00 C ATOM 1354 C ASP A 522 -4.804 -8.623 4.172 1.00 0.00 C ATOM 1355 O ASP A 522 -5.448 -8.165 5.117 1.00 0.00 O ATOM 1356 CB ASP A 522 -6.552 -10.521 3.906 1.00 0.00 C ATOM 1357 CG ASP A 522 -7.813 -9.660 4.108 1.00 0.00 C ATOM 1358 OD1 ASP A 522 -8.193 -8.913 3.174 1.00 0.00 O ATOM 1359 OD2 ASP A 522 -8.451 -9.772 5.183 1.00 0.00 O ATOM 0 H ASP A 522 -4.243 -10.773 1.818 1.00 0.00 H new ATOM 0 HA ASP A 522 -5.749 -9.223 2.400 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -6.801 -11.372 3.272 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -6.239 -10.923 4.870 1.00 0.00 H new ATOM 1364 N LYS A 523 -3.576 -8.165 3.888 1.00 0.00 N ATOM 1365 CA LYS A 523 -2.938 -7.054 4.606 1.00 0.00 C ATOM 1366 C LYS A 523 -3.673 -5.720 4.325 1.00 0.00 C ATOM 1367 O LYS A 523 -3.818 -5.363 3.146 1.00 0.00 O ATOM 1368 CB LYS A 523 -1.456 -6.951 4.176 1.00 0.00 C ATOM 1369 CG LYS A 523 -0.674 -5.856 4.933 1.00 0.00 C ATOM 1370 CD LYS A 523 -0.214 -6.289 6.332 1.00 0.00 C ATOM 1371 CE LYS A 523 0.559 -5.190 7.080 1.00 0.00 C ATOM 1372 NZ LYS A 523 -0.285 -4.017 7.442 1.00 0.00 N ATOM 0 H LYS A 523 -2.994 -8.559 3.148 1.00 0.00 H new ATOM 0 HA LYS A 523 -2.994 -7.248 5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 523 -0.970 -7.913 4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 523 -1.409 -6.747 3.106 1.00 0.00 H new ATOM 0 HG2 LYS A 523 0.198 -5.571 4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 523 -1.301 -4.969 5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 523 -1.085 -6.578 6.921 1.00 0.00 H new ATOM 0 HD3 LYS A 523 0.418 -7.173 6.243 1.00 0.00 H new ATOM 0 HE2 LYS A 523 0.990 -5.612 7.988 1.00 0.00 H new ATOM 0 HE3 LYS A 523 1.390 -4.853 6.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 523 0.323 -3.240 7.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 523 -0.822 -3.705 6.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 523 -0.946 -4.285 8.199 1.00 0.00 H new ATOM 1386 N PRO A 524 -4.080 -4.954 5.362 1.00 0.00 N ATOM 1387 CA PRO A 524 -4.568 -3.592 5.207 1.00 0.00 C ATOM 1388 C PRO A 524 -3.376 -2.635 5.095 1.00 0.00 C ATOM 1389 O PRO A 524 -2.373 -2.793 5.794 1.00 0.00 O ATOM 1390 CB PRO A 524 -5.406 -3.303 6.454 1.00 0.00 C ATOM 1391 CG PRO A 524 -4.753 -4.170 7.532 1.00 0.00 C ATOM 1392 CD PRO A 524 -4.087 -5.322 6.771 1.00 0.00 C ATOM 0 HA PRO A 524 -5.168 -3.462 4.306 1.00 0.00 H new ATOM 0 HB2 PRO A 524 -5.380 -2.246 6.719 1.00 0.00 H new ATOM 0 HB3 PRO A 524 -6.453 -3.569 6.305 1.00 0.00 H new ATOM 0 HG2 PRO A 524 -4.021 -3.601 8.105 1.00 0.00 H new ATOM 0 HG3 PRO A 524 -5.493 -4.542 8.240 1.00 0.00 H new ATOM 0 HD2 PRO A 524 -3.072 -5.486 7.132 1.00 0.00 H new ATOM 0 HD3 PRO A 524 -4.634 -6.252 6.924 1.00 0.00 H new ATOM 1400 N VAL A 525 -3.496 -1.636 4.226 1.00 0.00 N ATOM 1401 CA VAL A 525 -2.467 -0.617 3.961 1.00 0.00 C ATOM 1402 C VAL A 525 -3.068 0.785 4.021 1.00 0.00 C ATOM 1403 O VAL A 525 -4.184 1.011 3.558 1.00 0.00 O ATOM 1404 CB VAL A 525 -1.740 -0.845 2.617 1.00 0.00 C ATOM 1405 CG1 VAL A 525 -0.726 -1.988 2.766 1.00 0.00 C ATOM 1406 CG2 VAL A 525 -2.679 -1.129 1.429 1.00 0.00 C ATOM 0 H VAL A 525 -4.337 -1.503 3.665 1.00 0.00 H new ATOM 0 HA VAL A 525 -1.717 -0.712 4.746 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.236 0.093 2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -0.215 -2.147 1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 525 0.004 -1.729 3.533 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -1.247 -2.901 3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -2.088 -1.277 0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -3.262 -2.027 1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -3.353 -0.284 1.288 1.00 0.00 H new ATOM 1416 N GLN A 526 -2.331 1.704 4.641 1.00 0.00 N ATOM 1417 CA GLN A 526 -2.747 3.067 4.968 1.00 0.00 C ATOM 1418 C GLN A 526 -2.505 3.984 3.763 1.00 0.00 C ATOM 1419 O GLN A 526 -1.374 4.115 3.306 1.00 0.00 O ATOM 1420 CB GLN A 526 -1.935 3.506 6.200 1.00 0.00 C ATOM 1421 CG GLN A 526 -2.378 4.855 6.785 1.00 0.00 C ATOM 1422 CD GLN A 526 -1.564 5.202 8.034 1.00 0.00 C ATOM 1423 OE1 GLN A 526 -0.715 6.085 8.039 1.00 0.00 O ATOM 1424 NE2 GLN A 526 -1.798 4.546 9.152 1.00 0.00 N ATOM 0 H GLN A 526 -1.377 1.508 4.945 1.00 0.00 H new ATOM 0 HA GLN A 526 -3.811 3.121 5.198 1.00 0.00 H new ATOM 0 HB2 GLN A 526 -2.020 2.740 6.971 1.00 0.00 H new ATOM 0 HB3 GLN A 526 -0.882 3.567 5.926 1.00 0.00 H new ATOM 0 HG2 GLN A 526 -2.255 5.638 6.037 1.00 0.00 H new ATOM 0 HG3 GLN A 526 -3.438 4.817 7.036 1.00 0.00 H new ATOM 0 HE21 GLN A 526 -2.500 3.807 9.172 1.00 0.00 H new ATOM 0 HE22 GLN A 526 -1.277 4.777 9.998 1.00 0.00 H new ATOM 1433 N ILE A 527 -3.561 4.616 3.248 1.00 0.00 N ATOM 1434 CA ILE A 527 -3.555 5.386 1.993 1.00 0.00 C ATOM 1435 C ILE A 527 -3.654 6.885 2.311 1.00 0.00 C ATOM 1436 O ILE A 527 -4.547 7.313 3.045 1.00 0.00 O ATOM 1437 CB ILE A 527 -4.725 4.935 1.078 1.00 0.00 C ATOM 1438 CG1 ILE A 527 -4.849 3.404 0.908 1.00 0.00 C ATOM 1439 CG2 ILE A 527 -4.638 5.595 -0.308 1.00 0.00 C ATOM 1440 CD1 ILE A 527 -3.618 2.699 0.331 1.00 0.00 C ATOM 0 H ILE A 527 -4.474 4.609 3.703 1.00 0.00 H new ATOM 0 HA ILE A 527 -2.622 5.201 1.460 1.00 0.00 H new ATOM 0 HB ILE A 527 -5.623 5.268 1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 527 -5.074 2.966 1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 527 -5.701 3.196 0.260 1.00 0.00 H new ATOM 0 HG21 ILE A 527 -5.472 5.258 -0.924 1.00 0.00 H new ATOM 0 HG22 ILE A 527 -4.682 6.679 -0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 527 -3.698 5.317 -0.785 1.00 0.00 H new ATOM 0 HD11 ILE A 527 -3.814 1.629 0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 527 -3.400 3.100 -0.659 1.00 0.00 H new ATOM 0 HD13 ILE A 527 -2.763 2.865 0.986 1.00 0.00 H new ATOM 1452 N ARG A 528 -2.755 7.685 1.732 1.00 0.00 N ATOM 1453 CA ARG A 528 -2.662 9.138 1.927 1.00 0.00 C ATOM 1454 C ARG A 528 -2.453 9.841 0.575 1.00 0.00 C ATOM 1455 O ARG A 528 -1.306 9.958 0.129 1.00 0.00 O ATOM 1456 CB ARG A 528 -1.520 9.447 2.918 1.00 0.00 C ATOM 1457 CG ARG A 528 -1.928 9.354 4.400 1.00 0.00 C ATOM 1458 CD ARG A 528 -2.234 10.723 5.026 1.00 0.00 C ATOM 1459 NE ARG A 528 -3.299 11.449 4.303 1.00 0.00 N ATOM 1460 CZ ARG A 528 -3.161 12.508 3.509 1.00 0.00 C ATOM 1461 NH1 ARG A 528 -2.007 13.114 3.323 1.00 0.00 N ATOM 1462 NH2 ARG A 528 -4.202 12.978 2.862 1.00 0.00 N ATOM 0 H ARG A 528 -2.046 7.328 1.092 1.00 0.00 H new ATOM 0 HA ARG A 528 -3.592 9.518 2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 528 -0.698 8.755 2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 528 -1.143 10.450 2.719 1.00 0.00 H new ATOM 0 HG2 ARG A 528 -2.807 8.715 4.490 1.00 0.00 H new ATOM 0 HG3 ARG A 528 -1.127 8.875 4.962 1.00 0.00 H new ATOM 0 HD2 ARG A 528 -2.533 10.585 6.065 1.00 0.00 H new ATOM 0 HD3 ARG A 528 -1.327 11.327 5.033 1.00 0.00 H new ATOM 0 HE ARG A 528 -4.249 11.098 4.427 1.00 0.00 H new ATOM 0 HH11 ARG A 528 -1.170 12.774 3.797 1.00 0.00 H new ATOM 0 HH12 ARG A 528 -1.950 13.923 2.704 1.00 0.00 H new ATOM 0 HH21 ARG A 528 -5.113 12.532 2.969 1.00 0.00 H new ATOM 0 HH22 ARG A 528 -4.100 13.790 2.253 1.00 0.00 H new ATOM 1476 N PRO A 529 -3.537 10.303 -0.087 1.00 0.00 N ATOM 1477 CA PRO A 529 -3.460 11.167 -1.261 1.00 0.00 C ATOM 1478 C PRO A 529 -2.673 12.432 -0.914 1.00 0.00 C ATOM 1479 O PRO A 529 -2.960 13.092 0.086 1.00 0.00 O ATOM 1480 CB PRO A 529 -4.910 11.465 -1.665 1.00 0.00 C ATOM 1481 CG PRO A 529 -5.689 10.287 -1.083 1.00 0.00 C ATOM 1482 CD PRO A 529 -4.930 9.996 0.210 1.00 0.00 C ATOM 0 HA PRO A 529 -2.935 10.701 -2.095 1.00 0.00 H new ATOM 0 HB2 PRO A 529 -5.254 12.415 -1.256 1.00 0.00 H new ATOM 0 HB3 PRO A 529 -5.021 11.525 -2.748 1.00 0.00 H new ATOM 0 HG2 PRO A 529 -6.731 10.544 -0.893 1.00 0.00 H new ATOM 0 HG3 PRO A 529 -5.690 9.429 -1.755 1.00 0.00 H new ATOM 0 HD2 PRO A 529 -5.302 10.609 1.031 1.00 0.00 H new ATOM 0 HD3 PRO A 529 -5.048 8.955 0.510 1.00 0.00 H new ATOM 1490 N TRP A 530 -1.649 12.747 -1.710 1.00 0.00 N ATOM 1491 CA TRP A 530 -0.668 13.771 -1.354 1.00 0.00 C ATOM 1492 C TRP A 530 -1.182 15.212 -1.515 1.00 0.00 C ATOM 1493 O TRP A 530 -1.994 15.522 -2.393 1.00 0.00 O ATOM 1494 CB TRP A 530 0.618 13.520 -2.144 1.00 0.00 C ATOM 1495 CG TRP A 530 1.837 14.157 -1.560 1.00 0.00 C ATOM 1496 CD1 TRP A 530 2.513 15.209 -2.072 1.00 0.00 C ATOM 1497 CD2 TRP A 530 2.530 13.799 -0.324 1.00 0.00 C ATOM 1498 NE1 TRP A 530 3.565 15.534 -1.237 1.00 0.00 N ATOM 1499 CE2 TRP A 530 3.628 14.691 -0.147 1.00 0.00 C ATOM 1500 CE3 TRP A 530 2.335 12.811 0.666 1.00 0.00 C ATOM 1501 CZ2 TRP A 530 4.496 14.604 0.952 1.00 0.00 C ATOM 1502 CZ3 TRP A 530 3.201 12.713 1.773 1.00 0.00 C ATOM 1503 CH2 TRP A 530 4.281 13.604 1.916 1.00 0.00 C ATOM 0 H TRP A 530 -1.478 12.303 -2.612 1.00 0.00 H new ATOM 0 HA TRP A 530 -0.465 13.682 -0.287 1.00 0.00 H new ATOM 0 HB2 TRP A 530 0.783 12.445 -2.213 1.00 0.00 H new ATOM 0 HB3 TRP A 530 0.483 13.888 -3.161 1.00 0.00 H new ATOM 0 HD1 TRP A 530 2.269 15.718 -2.993 1.00 0.00 H new ATOM 0 HE1 TRP A 530 4.215 16.302 -1.406 1.00 0.00 H new ATOM 0 HE3 TRP A 530 1.510 12.120 0.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 530 5.318 15.296 1.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 530 3.035 11.948 2.517 1.00 0.00 H new ATOM 0 HH2 TRP A 530 4.943 13.520 2.765 1.00 0.00 H new