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 136:sc= 0.936 USER MOD Set 1.2: A 519 THR OG1 : rot -170:sc= 0.343 USER MOD Single : A 442 LYS NZ :NH3+ -140:sc= 0.266 (180deg=0.0144) USER MOD Single : A 458 THR OG1 : rot 78:sc= 1.16 USER MOD Single : A 460 SER OG : rot 67:sc= 1.22 USER MOD Single : A 486 TYR OH : rot 180:sc= 0 USER MOD Single : A 492 GLN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot -79:sc= 0.266 USER MOD Single : A 498 GLN : amide:sc= 0.822 K(o=0.82,f=0) USER MOD Single : A 504 CYS SG : rot 72:sc= 0.61 USER MOD Single : A 512 TYR OH : rot 180:sc= 0 USER MOD Single : A 514 CYS SG : rot 180:sc= 0 USER MOD Single : A 516 SER OG : rot 180:sc= 0.75 USER MOD Single : A 521 LYS NZ :NH3+ 156:sc= 1.16 (180deg=0.756) USER MOD Single : A 523 LYS NZ :NH3+ -146:sc= 0.678 (180deg=0.353) USER MOD Single : A 526 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 441 -1.661 13.557 -8.328 1.00 0.00 N ATOM 80 CA ARG A 441 -1.543 12.192 -8.870 1.00 0.00 C ATOM 81 C ARG A 441 -0.592 11.321 -8.028 1.00 0.00 C ATOM 82 O ARG A 441 -0.513 10.110 -8.237 1.00 0.00 O ATOM 83 CB ARG A 441 -1.075 12.237 -10.333 1.00 0.00 C ATOM 84 CG ARG A 441 -2.103 12.957 -11.218 1.00 0.00 C ATOM 85 CD ARG A 441 -1.774 12.929 -12.711 1.00 0.00 C ATOM 86 NE ARG A 441 -0.554 13.704 -13.007 1.00 0.00 N ATOM 87 CZ ARG A 441 0.153 13.695 -14.132 1.00 0.00 C ATOM 88 NH1 ARG A 441 -0.164 12.944 -15.166 1.00 0.00 N ATOM 89 NH2 ARG A 441 1.214 14.466 -14.235 1.00 0.00 N ATOM 0 HA ARG A 441 -2.531 11.734 -8.826 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -0.114 12.748 -10.396 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -0.921 11.223 -10.701 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.081 12.501 -11.064 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -2.181 13.995 -10.894 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -1.640 11.897 -13.036 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.612 13.335 -13.278 1.00 0.00 H new ATOM 0 HE ARG A 441 -0.215 14.316 -12.264 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -0.982 12.336 -15.123 1.00 0.00 H new ATOM 0 HH12 ARG A 441 0.409 12.970 -16.010 1.00 0.00 H new ATOM 0 HH21 ARG A 441 1.488 15.064 -13.455 1.00 0.00 H new ATOM 0 HH22 ARG A 441 1.763 14.466 -15.095 1.00 0.00 H new ATOM 103 N LYS A 442 0.129 11.921 -7.076 1.00 0.00 N ATOM 104 CA LYS A 442 0.989 11.239 -6.102 1.00 0.00 C ATOM 105 C LYS A 442 0.161 10.726 -4.904 1.00 0.00 C ATOM 106 O LYS A 442 -0.702 11.445 -4.400 1.00 0.00 O ATOM 107 CB LYS A 442 2.097 12.230 -5.697 1.00 0.00 C ATOM 108 CG LYS A 442 3.087 11.696 -4.648 1.00 0.00 C ATOM 109 CD LYS A 442 4.174 12.746 -4.367 1.00 0.00 C ATOM 110 CE LYS A 442 5.097 12.283 -3.234 1.00 0.00 C ATOM 111 NZ LYS A 442 6.113 13.311 -2.886 1.00 0.00 N ATOM 0 H LYS A 442 0.130 12.934 -6.958 1.00 0.00 H new ATOM 0 HA LYS A 442 1.451 10.350 -6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 442 2.654 12.516 -6.590 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.631 13.136 -5.309 1.00 0.00 H new ATOM 0 HG2 LYS A 442 2.557 11.454 -3.727 1.00 0.00 H new ATOM 0 HG3 LYS A 442 3.545 10.773 -5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 442 4.759 12.921 -5.270 1.00 0.00 H new ATOM 0 HD3 LYS A 442 3.709 13.695 -4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 442 4.500 12.051 -2.352 1.00 0.00 H new ATOM 0 HE3 LYS A 442 5.600 11.362 -3.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 7.026 12.848 -2.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 6.217 13.978 -3.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 5.808 13.827 -2.036 1.00 0.00 H new ATOM 125 N VAL A 443 0.426 9.505 -4.429 1.00 0.00 N ATOM 126 CA VAL A 443 -0.262 8.886 -3.274 1.00 0.00 C ATOM 127 C VAL A 443 0.728 8.059 -2.450 1.00 0.00 C ATOM 128 O VAL A 443 1.307 7.106 -2.962 1.00 0.00 O ATOM 129 CB VAL A 443 -1.441 7.982 -3.718 1.00 0.00 C ATOM 130 CG1 VAL A 443 -2.195 7.408 -2.506 1.00 0.00 C ATOM 131 CG2 VAL A 443 -2.451 8.706 -4.620 1.00 0.00 C ATOM 0 H VAL A 443 1.138 8.901 -4.840 1.00 0.00 H new ATOM 0 HA VAL A 443 -0.666 9.696 -2.667 1.00 0.00 H new ATOM 0 HB VAL A 443 -0.983 7.177 -4.293 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -3.015 6.779 -2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -1.511 6.812 -1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -2.593 8.225 -1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -3.251 8.019 -4.895 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -2.872 9.557 -4.085 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.948 9.057 -5.521 1.00 0.00 H new ATOM 141 N PHE A 444 0.907 8.394 -1.172 1.00 0.00 N ATOM 142 CA PHE A 444 1.676 7.585 -0.221 1.00 0.00 C ATOM 143 C PHE A 444 0.886 6.333 0.197 1.00 0.00 C ATOM 144 O PHE A 444 -0.325 6.403 0.417 1.00 0.00 O ATOM 145 CB PHE A 444 2.037 8.453 0.995 1.00 0.00 C ATOM 146 CG PHE A 444 2.653 7.707 2.168 1.00 0.00 C ATOM 147 CD1 PHE A 444 1.836 7.045 3.110 1.00 0.00 C ATOM 148 CD2 PHE A 444 4.052 7.677 2.329 1.00 0.00 C ATOM 149 CE1 PHE A 444 2.411 6.372 4.201 1.00 0.00 C ATOM 150 CE2 PHE A 444 4.625 7.013 3.428 1.00 0.00 C ATOM 151 CZ PHE A 444 3.806 6.358 4.364 1.00 0.00 C ATOM 0 H PHE A 444 0.519 9.243 -0.762 1.00 0.00 H new ATOM 0 HA PHE A 444 2.595 7.239 -0.695 1.00 0.00 H new ATOM 0 HB2 PHE A 444 2.733 9.228 0.673 1.00 0.00 H new ATOM 0 HB3 PHE A 444 1.135 8.958 1.341 1.00 0.00 H new ATOM 0 HD1 PHE A 444 0.763 7.056 2.991 1.00 0.00 H new ATOM 0 HD2 PHE A 444 4.687 8.166 1.605 1.00 0.00 H new ATOM 0 HE1 PHE A 444 1.779 5.865 4.915 1.00 0.00 H new ATOM 0 HE2 PHE A 444 5.698 7.006 3.553 1.00 0.00 H new ATOM 0 HZ PHE A 444 4.248 5.846 5.206 1.00 0.00 H new ATOM 161 N VAL A 445 1.587 5.210 0.363 1.00 0.00 N ATOM 162 CA VAL A 445 1.052 3.935 0.873 1.00 0.00 C ATOM 163 C VAL A 445 1.980 3.402 1.963 1.00 0.00 C ATOM 164 O VAL A 445 3.175 3.250 1.717 1.00 0.00 O ATOM 165 CB VAL A 445 0.907 2.886 -0.250 1.00 0.00 C ATOM 166 CG1 VAL A 445 0.339 1.551 0.263 1.00 0.00 C ATOM 167 CG2 VAL A 445 0.000 3.406 -1.369 1.00 0.00 C ATOM 0 H VAL A 445 2.581 5.156 0.139 1.00 0.00 H new ATOM 0 HA VAL A 445 0.058 4.120 1.281 1.00 0.00 H new ATOM 0 HB VAL A 445 1.912 2.710 -0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 445 0.257 0.848 -0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 445 1.004 1.140 1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.647 1.718 0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -0.087 2.649 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -0.988 3.625 -0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 445 0.428 4.315 -1.792 1.00 0.00 H new ATOM 177 N GLY A 446 1.434 3.123 3.152 1.00 0.00 N ATOM 178 CA GLY A 446 2.173 2.611 4.316 1.00 0.00 C ATOM 179 C GLY A 446 1.620 1.288 4.851 1.00 0.00 C ATOM 180 O GLY A 446 0.414 1.048 4.805 1.00 0.00 O ATOM 0 H GLY A 446 0.439 3.250 3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 446 3.219 2.475 4.042 1.00 0.00 H new ATOM 0 HA3 GLY A 446 2.146 3.356 5.111 1.00 0.00 H new ATOM 184 N GLY A 447 2.501 0.444 5.399 1.00 0.00 N ATOM 185 CA GLY A 447 2.159 -0.862 5.990 1.00 0.00 C ATOM 186 C GLY A 447 2.283 -2.044 5.023 1.00 0.00 C ATOM 187 O GLY A 447 1.676 -3.086 5.266 1.00 0.00 O ATOM 0 H GLY A 447 3.498 0.652 5.447 1.00 0.00 H new ATOM 0 HA2 GLY A 447 2.807 -1.040 6.848 1.00 0.00 H new ATOM 0 HA3 GLY A 447 1.137 -0.821 6.366 1.00 0.00 H new ATOM 191 N LEU A 448 3.033 -1.889 3.926 1.00 0.00 N ATOM 192 CA LEU A 448 3.262 -2.914 2.897 1.00 0.00 C ATOM 193 C LEU A 448 3.895 -4.195 3.501 1.00 0.00 C ATOM 194 O LEU A 448 4.734 -4.071 4.403 1.00 0.00 O ATOM 195 CB LEU A 448 4.179 -2.320 1.806 1.00 0.00 C ATOM 196 CG LEU A 448 3.546 -1.191 0.964 1.00 0.00 C ATOM 197 CD1 LEU A 448 4.630 -0.492 0.135 1.00 0.00 C ATOM 198 CD2 LEU A 448 2.468 -1.730 0.012 1.00 0.00 C ATOM 0 H LEU A 448 3.516 -1.014 3.721 1.00 0.00 H new ATOM 0 HA LEU A 448 2.305 -3.204 2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 448 5.082 -1.936 2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 448 4.488 -3.122 1.136 1.00 0.00 H new ATOM 0 HG LEU A 448 3.080 -0.488 1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 448 4.178 0.304 -0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 448 5.380 -0.067 0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 448 5.103 -1.215 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 448 2.046 -0.906 -0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 448 2.913 -2.457 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 448 1.679 -2.210 0.591 1.00 0.00 H new ATOM 210 N PRO A 449 3.534 -5.407 3.018 1.00 0.00 N ATOM 211 CA PRO A 449 4.134 -6.669 3.461 1.00 0.00 C ATOM 212 C PRO A 449 5.668 -6.704 3.314 1.00 0.00 C ATOM 213 O PRO A 449 6.208 -6.026 2.436 1.00 0.00 O ATOM 214 CB PRO A 449 3.494 -7.762 2.602 1.00 0.00 C ATOM 215 CG PRO A 449 2.152 -7.170 2.189 1.00 0.00 C ATOM 216 CD PRO A 449 2.456 -5.678 2.072 1.00 0.00 C ATOM 0 HA PRO A 449 3.948 -6.807 4.526 1.00 0.00 H new ATOM 0 HB2 PRO A 449 4.110 -7.999 1.734 1.00 0.00 H new ATOM 0 HB3 PRO A 449 3.366 -8.687 3.164 1.00 0.00 H new ATOM 0 HG2 PRO A 449 1.801 -7.586 1.244 1.00 0.00 H new ATOM 0 HG3 PRO A 449 1.378 -7.367 2.931 1.00 0.00 H new ATOM 0 HD2 PRO A 449 2.756 -5.420 1.056 1.00 0.00 H new ATOM 0 HD3 PRO A 449 1.574 -5.081 2.305 1.00 0.00 H new ATOM 224 N PRO A 450 6.381 -7.514 4.123 1.00 0.00 N ATOM 225 CA PRO A 450 7.844 -7.551 4.157 1.00 0.00 C ATOM 226 C PRO A 450 8.491 -8.302 2.974 1.00 0.00 C ATOM 227 O PRO A 450 9.715 -8.424 2.938 1.00 0.00 O ATOM 228 CB PRO A 450 8.184 -8.198 5.506 1.00 0.00 C ATOM 229 CG PRO A 450 7.022 -9.164 5.726 1.00 0.00 C ATOM 230 CD PRO A 450 5.836 -8.390 5.152 1.00 0.00 C ATOM 0 HA PRO A 450 8.252 -6.546 4.055 1.00 0.00 H new ATOM 0 HB2 PRO A 450 9.141 -8.719 5.474 1.00 0.00 H new ATOM 0 HB3 PRO A 450 8.250 -7.458 6.303 1.00 0.00 H new ATOM 0 HG2 PRO A 450 7.178 -10.111 5.209 1.00 0.00 H new ATOM 0 HG3 PRO A 450 6.882 -9.397 6.782 1.00 0.00 H new ATOM 0 HD2 PRO A 450 5.095 -9.070 4.732 1.00 0.00 H new ATOM 0 HD3 PRO A 450 5.335 -7.813 5.929 1.00 0.00 H new ATOM 238 N ASP A 451 7.706 -8.793 2.005 1.00 0.00 N ATOM 239 CA ASP A 451 8.188 -9.554 0.837 1.00 0.00 C ATOM 240 C ASP A 451 7.442 -9.186 -0.466 1.00 0.00 C ATOM 241 O ASP A 451 7.353 -9.984 -1.399 1.00 0.00 O ATOM 242 CB ASP A 451 8.144 -11.061 1.156 1.00 0.00 C ATOM 243 CG ASP A 451 9.010 -11.909 0.205 1.00 0.00 C ATOM 244 OD1 ASP A 451 10.196 -11.561 -0.012 1.00 0.00 O ATOM 245 OD2 ASP A 451 8.523 -12.959 -0.278 1.00 0.00 O ATOM 0 H ASP A 451 6.693 -8.671 2.009 1.00 0.00 H new ATOM 0 HA ASP A 451 9.224 -9.277 0.644 1.00 0.00 H new ATOM 0 HB2 ASP A 451 8.480 -11.219 2.181 1.00 0.00 H new ATOM 0 HB3 ASP A 451 7.112 -11.407 1.102 1.00 0.00 H new ATOM 250 N ILE A 452 6.889 -7.968 -0.527 1.00 0.00 N ATOM 251 CA ILE A 452 6.323 -7.376 -1.753 1.00 0.00 C ATOM 252 C ILE A 452 7.381 -6.531 -2.490 1.00 0.00 C ATOM 253 O ILE A 452 8.394 -6.143 -1.907 1.00 0.00 O ATOM 254 CB ILE A 452 5.028 -6.601 -1.406 1.00 0.00 C ATOM 255 CG1 ILE A 452 4.107 -6.495 -2.638 1.00 0.00 C ATOM 256 CG2 ILE A 452 5.323 -5.207 -0.825 1.00 0.00 C ATOM 257 CD1 ILE A 452 2.698 -5.992 -2.320 1.00 0.00 C ATOM 0 H ILE A 452 6.820 -7.354 0.285 1.00 0.00 H new ATOM 0 HA ILE A 452 6.039 -8.161 -2.454 1.00 0.00 H new ATOM 0 HB ILE A 452 4.512 -7.169 -0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 452 4.566 -5.825 -3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 452 4.034 -7.475 -3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 452 4.384 -4.702 -0.597 1.00 0.00 H new ATOM 0 HG22 ILE A 452 5.910 -5.310 0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 452 5.883 -4.621 -1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 452 2.112 -5.945 -3.238 1.00 0.00 H new ATOM 0 HD12 ILE A 452 2.218 -6.674 -1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 452 2.758 -4.998 -1.877 1.00 0.00 H new ATOM 269 N ASP A 453 7.153 -6.229 -3.768 1.00 0.00 N ATOM 270 CA ASP A 453 8.090 -5.521 -4.650 1.00 0.00 C ATOM 271 C ASP A 453 7.376 -4.560 -5.614 1.00 0.00 C ATOM 272 O ASP A 453 6.152 -4.585 -5.735 1.00 0.00 O ATOM 273 CB ASP A 453 8.958 -6.543 -5.405 1.00 0.00 C ATOM 274 CG ASP A 453 8.179 -7.331 -6.470 1.00 0.00 C ATOM 275 OD1 ASP A 453 7.931 -6.767 -7.563 1.00 0.00 O ATOM 276 OD2 ASP A 453 7.840 -8.511 -6.215 1.00 0.00 O ATOM 0 H ASP A 453 6.282 -6.478 -4.237 1.00 0.00 H new ATOM 0 HA ASP A 453 8.735 -4.897 -4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 453 9.788 -6.022 -5.883 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.390 -7.242 -4.689 1.00 0.00 H new ATOM 281 N GLU A 454 8.151 -3.717 -6.299 1.00 0.00 N ATOM 282 CA GLU A 454 7.692 -2.629 -7.175 1.00 0.00 C ATOM 283 C GLU A 454 6.593 -3.046 -8.175 1.00 0.00 C ATOM 284 O GLU A 454 5.612 -2.321 -8.352 1.00 0.00 O ATOM 285 CB GLU A 454 8.915 -2.086 -7.936 1.00 0.00 C ATOM 286 CG GLU A 454 8.652 -0.761 -8.662 1.00 0.00 C ATOM 287 CD GLU A 454 9.837 -0.386 -9.564 1.00 0.00 C ATOM 288 OE1 GLU A 454 10.972 -0.251 -9.052 1.00 0.00 O ATOM 289 OE2 GLU A 454 9.642 -0.225 -10.792 1.00 0.00 O ATOM 0 H GLU A 454 9.169 -3.775 -6.258 1.00 0.00 H new ATOM 0 HA GLU A 454 7.235 -1.868 -6.542 1.00 0.00 H new ATOM 0 HB2 GLU A 454 9.737 -1.948 -7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 454 9.239 -2.830 -8.663 1.00 0.00 H new ATOM 0 HG2 GLU A 454 7.745 -0.844 -9.261 1.00 0.00 H new ATOM 0 HG3 GLU A 454 8.480 0.030 -7.932 1.00 0.00 H new ATOM 296 N ASP A 455 6.716 -4.217 -8.806 1.00 0.00 N ATOM 297 CA ASP A 455 5.773 -4.691 -9.826 1.00 0.00 C ATOM 298 C ASP A 455 4.490 -5.277 -9.210 1.00 0.00 C ATOM 299 O ASP A 455 3.418 -5.183 -9.807 1.00 0.00 O ATOM 300 CB ASP A 455 6.476 -5.718 -10.724 1.00 0.00 C ATOM 301 CG ASP A 455 5.631 -6.097 -11.953 1.00 0.00 C ATOM 302 OD1 ASP A 455 5.428 -5.226 -12.833 1.00 0.00 O ATOM 303 OD2 ASP A 455 5.207 -7.272 -12.057 1.00 0.00 O ATOM 0 H ASP A 455 7.479 -4.869 -8.623 1.00 0.00 H new ATOM 0 HA ASP A 455 5.459 -3.836 -10.426 1.00 0.00 H new ATOM 0 HB2 ASP A 455 7.433 -5.313 -11.055 1.00 0.00 H new ATOM 0 HB3 ASP A 455 6.693 -6.615 -10.145 1.00 0.00 H new ATOM 308 N GLU A 456 4.581 -5.806 -7.987 1.00 0.00 N ATOM 309 CA GLU A 456 3.424 -6.237 -7.197 1.00 0.00 C ATOM 310 C GLU A 456 2.694 -5.043 -6.568 1.00 0.00 C ATOM 311 O GLU A 456 1.467 -5.045 -6.507 1.00 0.00 O ATOM 312 CB GLU A 456 3.850 -7.203 -6.088 1.00 0.00 C ATOM 313 CG GLU A 456 4.356 -8.554 -6.589 1.00 0.00 C ATOM 314 CD GLU A 456 3.242 -9.410 -7.214 1.00 0.00 C ATOM 315 OE1 GLU A 456 2.443 -10.011 -6.458 1.00 0.00 O ATOM 316 OE2 GLU A 456 3.174 -9.513 -8.461 1.00 0.00 O ATOM 0 H GLU A 456 5.472 -5.949 -7.511 1.00 0.00 H new ATOM 0 HA GLU A 456 2.744 -6.744 -7.881 1.00 0.00 H new ATOM 0 HB2 GLU A 456 4.634 -6.733 -5.494 1.00 0.00 H new ATOM 0 HB3 GLU A 456 3.003 -7.370 -5.423 1.00 0.00 H new ATOM 0 HG2 GLU A 456 5.142 -8.392 -7.327 1.00 0.00 H new ATOM 0 HG3 GLU A 456 4.806 -9.099 -5.759 1.00 0.00 H new ATOM 323 N ILE A 457 3.411 -3.992 -6.156 1.00 0.00 N ATOM 324 CA ILE A 457 2.810 -2.721 -5.715 1.00 0.00 C ATOM 325 C ILE A 457 2.110 -2.045 -6.902 1.00 0.00 C ATOM 326 O ILE A 457 1.009 -1.522 -6.739 1.00 0.00 O ATOM 327 CB ILE A 457 3.866 -1.800 -5.053 1.00 0.00 C ATOM 328 CG1 ILE A 457 4.490 -2.452 -3.797 1.00 0.00 C ATOM 329 CG2 ILE A 457 3.235 -0.452 -4.647 1.00 0.00 C ATOM 330 CD1 ILE A 457 5.828 -1.815 -3.396 1.00 0.00 C ATOM 0 H ILE A 457 4.430 -3.996 -6.118 1.00 0.00 H new ATOM 0 HA ILE A 457 2.060 -2.925 -4.951 1.00 0.00 H new ATOM 0 HB ILE A 457 4.650 -1.638 -5.793 1.00 0.00 H new ATOM 0 HG12 ILE A 457 3.790 -2.370 -2.965 1.00 0.00 H new ATOM 0 HG13 ILE A 457 4.641 -3.515 -3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 457 3.993 0.180 -4.184 1.00 0.00 H new ATOM 0 HG22 ILE A 457 2.839 0.046 -5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 457 2.427 -0.628 -3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 457 6.217 -2.314 -2.509 1.00 0.00 H new ATOM 0 HD12 ILE A 457 6.541 -1.921 -4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 457 5.677 -0.757 -3.181 1.00 0.00 H new ATOM 342 N THR A 458 2.685 -2.134 -8.110 1.00 0.00 N ATOM 343 CA THR A 458 2.037 -1.679 -9.349 1.00 0.00 C ATOM 344 C THR A 458 0.775 -2.487 -9.616 1.00 0.00 C ATOM 345 O THR A 458 -0.287 -1.892 -9.758 1.00 0.00 O ATOM 346 CB THR A 458 3.003 -1.720 -10.542 1.00 0.00 C ATOM 347 OG1 THR A 458 4.146 -0.947 -10.255 1.00 0.00 O ATOM 348 CG2 THR A 458 2.375 -1.135 -11.809 1.00 0.00 C ATOM 0 H THR A 458 3.616 -2.525 -8.256 1.00 0.00 H new ATOM 0 HA THR A 458 1.748 -0.636 -9.217 1.00 0.00 H new ATOM 0 HB THR A 458 3.253 -2.768 -10.709 1.00 0.00 H new ATOM 0 HG1 THR A 458 4.744 -1.453 -9.667 1.00 0.00 H new ATOM 0 HG21 THR A 458 3.093 -1.184 -12.627 1.00 0.00 H new ATOM 0 HG22 THR A 458 1.486 -1.708 -12.072 1.00 0.00 H new ATOM 0 HG23 THR A 458 2.098 -0.096 -11.631 1.00 0.00 H new ATOM 356 N ALA A 459 0.844 -3.822 -9.616 1.00 0.00 N ATOM 357 CA ALA A 459 -0.327 -4.685 -9.804 1.00 0.00 C ATOM 358 C ALA A 459 -1.411 -4.473 -8.727 1.00 0.00 C ATOM 359 O ALA A 459 -2.604 -4.562 -9.019 1.00 0.00 O ATOM 360 CB ALA A 459 0.146 -6.143 -9.844 1.00 0.00 C ATOM 0 H ALA A 459 1.715 -4.336 -9.485 1.00 0.00 H new ATOM 0 HA ALA A 459 -0.804 -4.420 -10.748 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -0.712 -6.800 -9.983 1.00 0.00 H new ATOM 0 HB2 ALA A 459 0.843 -6.277 -10.671 1.00 0.00 H new ATOM 0 HB3 ALA A 459 0.644 -6.390 -8.906 1.00 0.00 H new ATOM 366 N SER A 460 -1.011 -4.123 -7.504 1.00 0.00 N ATOM 367 CA SER A 460 -1.910 -3.819 -6.384 1.00 0.00 C ATOM 368 C SER A 460 -2.703 -2.510 -6.542 1.00 0.00 C ATOM 369 O SER A 460 -3.684 -2.323 -5.820 1.00 0.00 O ATOM 370 CB SER A 460 -1.128 -3.765 -5.064 1.00 0.00 C ATOM 371 OG SER A 460 -0.582 -5.028 -4.720 1.00 0.00 O ATOM 0 H SER A 460 -0.025 -4.040 -7.256 1.00 0.00 H new ATOM 0 HA SER A 460 -2.636 -4.632 -6.377 1.00 0.00 H new ATOM 0 HB2 SER A 460 -0.325 -3.033 -5.148 1.00 0.00 H new ATOM 0 HB3 SER A 460 -1.787 -3.425 -4.265 1.00 0.00 H new ATOM 0 HG SER A 460 0.114 -5.270 -5.366 1.00 0.00 H new ATOM 377 N PHE A 461 -2.337 -1.625 -7.481 1.00 0.00 N ATOM 378 CA PHE A 461 -3.054 -0.365 -7.728 1.00 0.00 C ATOM 379 C PHE A 461 -3.367 -0.110 -9.217 1.00 0.00 C ATOM 380 O PHE A 461 -4.093 0.833 -9.532 1.00 0.00 O ATOM 381 CB PHE A 461 -2.297 0.784 -7.043 1.00 0.00 C ATOM 382 CG PHE A 461 -2.358 0.751 -5.521 1.00 0.00 C ATOM 383 CD1 PHE A 461 -1.391 0.037 -4.788 1.00 0.00 C ATOM 384 CD2 PHE A 461 -3.367 1.448 -4.829 1.00 0.00 C ATOM 385 CE1 PHE A 461 -1.438 -0.002 -3.384 1.00 0.00 C ATOM 386 CE2 PHE A 461 -3.404 1.430 -3.420 1.00 0.00 C ATOM 387 CZ PHE A 461 -2.447 0.695 -2.699 1.00 0.00 C ATOM 0 H PHE A 461 -1.533 -1.763 -8.093 1.00 0.00 H new ATOM 0 HA PHE A 461 -4.045 -0.436 -7.280 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -1.253 0.753 -7.355 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -2.706 1.732 -7.392 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -0.604 -0.487 -5.311 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -4.115 1.998 -5.380 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -0.700 -0.566 -2.833 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.169 1.982 -2.894 1.00 0.00 H new ATOM 0 HZ PHE A 461 -2.487 0.666 -1.620 1.00 0.00 H new ATOM 397 N ARG A 462 -2.943 -0.996 -10.133 1.00 0.00 N ATOM 398 CA ARG A 462 -3.301 -0.966 -11.565 1.00 0.00 C ATOM 399 C ARG A 462 -4.821 -1.059 -11.808 1.00 0.00 C ATOM 400 O ARG A 462 -5.321 -0.552 -12.812 1.00 0.00 O ATOM 401 CB ARG A 462 -2.552 -2.094 -12.304 1.00 0.00 C ATOM 402 CG ARG A 462 -2.436 -1.899 -13.826 1.00 0.00 C ATOM 403 CD ARG A 462 -1.483 -0.751 -14.184 1.00 0.00 C ATOM 404 NE ARG A 462 -1.317 -0.623 -15.643 1.00 0.00 N ATOM 405 CZ ARG A 462 -0.284 -0.083 -16.282 1.00 0.00 C ATOM 406 NH1 ARG A 462 0.773 0.381 -15.644 1.00 0.00 N ATOM 407 NH2 ARG A 462 -0.304 0.005 -17.593 1.00 0.00 N ATOM 0 H ARG A 462 -2.327 -1.773 -9.895 1.00 0.00 H new ATOM 0 HA ARG A 462 -2.994 0.002 -11.962 1.00 0.00 H new ATOM 0 HB2 ARG A 462 -1.549 -2.181 -11.885 1.00 0.00 H new ATOM 0 HB3 ARG A 462 -3.062 -3.038 -12.110 1.00 0.00 H new ATOM 0 HG2 ARG A 462 -2.081 -2.822 -14.284 1.00 0.00 H new ATOM 0 HG3 ARG A 462 -3.423 -1.695 -14.242 1.00 0.00 H new ATOM 0 HD2 ARG A 462 -1.868 0.184 -13.777 1.00 0.00 H new ATOM 0 HD3 ARG A 462 -0.512 -0.924 -13.720 1.00 0.00 H new ATOM 0 HE ARG A 462 -2.073 -0.987 -16.223 1.00 0.00 H new ATOM 0 HH11 ARG A 462 0.816 0.332 -14.626 1.00 0.00 H new ATOM 0 HH12 ARG A 462 1.547 0.789 -16.169 1.00 0.00 H new ATOM 0 HH21 ARG A 462 -1.109 -0.340 -18.115 1.00 0.00 H new ATOM 0 HH22 ARG A 462 0.486 0.418 -18.088 1.00 0.00 H new ATOM 421 N ARG A 463 -5.566 -1.616 -10.841 1.00 0.00 N ATOM 422 CA ARG A 463 -7.041 -1.632 -10.768 1.00 0.00 C ATOM 423 C ARG A 463 -7.715 -0.241 -10.781 1.00 0.00 C ATOM 424 O ARG A 463 -8.929 -0.162 -10.982 1.00 0.00 O ATOM 425 CB ARG A 463 -7.495 -2.478 -9.555 1.00 0.00 C ATOM 426 CG ARG A 463 -6.823 -2.101 -8.219 1.00 0.00 C ATOM 427 CD ARG A 463 -7.378 -2.909 -7.034 1.00 0.00 C ATOM 428 NE ARG A 463 -6.442 -2.872 -5.897 1.00 0.00 N ATOM 429 CZ ARG A 463 -6.555 -3.473 -4.719 1.00 0.00 C ATOM 430 NH1 ARG A 463 -7.645 -4.109 -4.342 1.00 0.00 N ATOM 431 NH2 ARG A 463 -5.526 -3.435 -3.903 1.00 0.00 N ATOM 0 H ARG A 463 -5.138 -2.092 -10.047 1.00 0.00 H new ATOM 0 HA ARG A 463 -7.384 -2.095 -11.693 1.00 0.00 H new ATOM 0 HB2 ARG A 463 -8.575 -2.379 -9.444 1.00 0.00 H new ATOM 0 HB3 ARG A 463 -7.291 -3.528 -9.765 1.00 0.00 H new ATOM 0 HG2 ARG A 463 -5.748 -2.267 -8.297 1.00 0.00 H new ATOM 0 HG3 ARG A 463 -6.969 -1.037 -8.030 1.00 0.00 H new ATOM 0 HD2 ARG A 463 -8.343 -2.503 -6.731 1.00 0.00 H new ATOM 0 HD3 ARG A 463 -7.548 -3.942 -7.339 1.00 0.00 H new ATOM 0 HE ARG A 463 -5.600 -2.313 -6.032 1.00 0.00 H new ATOM 0 HH11 ARG A 463 -8.450 -4.155 -4.966 1.00 0.00 H new ATOM 0 HH12 ARG A 463 -7.684 -4.556 -3.426 1.00 0.00 H new ATOM 0 HH21 ARG A 463 -4.671 -2.953 -4.182 1.00 0.00 H new ATOM 0 HH22 ARG A 463 -5.582 -3.887 -2.991 1.00 0.00 H new ATOM 445 N PHE A 464 -6.951 0.850 -10.627 1.00 0.00 N ATOM 446 CA PHE A 464 -7.421 2.243 -10.705 1.00 0.00 C ATOM 447 C PHE A 464 -6.971 2.985 -11.980 1.00 0.00 C ATOM 448 O PHE A 464 -7.350 4.140 -12.179 1.00 0.00 O ATOM 449 CB PHE A 464 -6.957 2.969 -9.433 1.00 0.00 C ATOM 450 CG PHE A 464 -7.438 2.302 -8.160 1.00 0.00 C ATOM 451 CD1 PHE A 464 -8.819 2.200 -7.908 1.00 0.00 C ATOM 452 CD2 PHE A 464 -6.523 1.705 -7.272 1.00 0.00 C ATOM 453 CE1 PHE A 464 -9.283 1.498 -6.786 1.00 0.00 C ATOM 454 CE2 PHE A 464 -6.989 0.995 -6.152 1.00 0.00 C ATOM 455 CZ PHE A 464 -8.370 0.893 -5.905 1.00 0.00 C ATOM 0 H PHE A 464 -5.951 0.785 -10.438 1.00 0.00 H new ATOM 0 HA PHE A 464 -8.509 2.234 -10.770 1.00 0.00 H new ATOM 0 HB2 PHE A 464 -5.868 3.014 -9.424 1.00 0.00 H new ATOM 0 HB3 PHE A 464 -7.318 3.997 -9.456 1.00 0.00 H new ATOM 0 HD1 PHE A 464 -9.524 2.664 -8.581 1.00 0.00 H new ATOM 0 HD2 PHE A 464 -5.462 1.793 -7.452 1.00 0.00 H new ATOM 0 HE1 PHE A 464 -10.344 1.422 -6.599 1.00 0.00 H new ATOM 0 HE2 PHE A 464 -6.285 0.527 -5.480 1.00 0.00 H new ATOM 0 HZ PHE A 464 -8.728 0.352 -5.042 1.00 0.00 H new ATOM 465 N GLY A 465 -6.187 2.331 -12.847 1.00 0.00 N ATOM 466 CA GLY A 465 -5.568 2.896 -14.054 1.00 0.00 C ATOM 467 C GLY A 465 -4.032 2.826 -14.019 1.00 0.00 C ATOM 468 O GLY A 465 -3.469 2.364 -13.022 1.00 0.00 O ATOM 0 H GLY A 465 -5.956 1.346 -12.720 1.00 0.00 H new ATOM 0 HA2 GLY A 465 -5.933 2.359 -14.930 1.00 0.00 H new ATOM 0 HA3 GLY A 465 -5.878 3.935 -14.165 1.00 0.00 H new ATOM 472 N PRO A 466 -3.341 3.247 -15.099 1.00 0.00 N ATOM 473 CA PRO A 466 -1.884 3.179 -15.204 1.00 0.00 C ATOM 474 C PRO A 466 -1.170 4.047 -14.160 1.00 0.00 C ATOM 475 O PRO A 466 -1.670 5.103 -13.766 1.00 0.00 O ATOM 476 CB PRO A 466 -1.537 3.608 -16.634 1.00 0.00 C ATOM 477 CG PRO A 466 -2.829 3.355 -17.408 1.00 0.00 C ATOM 478 CD PRO A 466 -3.904 3.674 -16.373 1.00 0.00 C ATOM 0 HA PRO A 466 -1.538 2.166 -14.999 1.00 0.00 H new ATOM 0 HB2 PRO A 466 -1.242 4.656 -16.678 1.00 0.00 H new ATOM 0 HB3 PRO A 466 -0.708 3.027 -17.037 1.00 0.00 H new ATOM 0 HG2 PRO A 466 -2.908 3.996 -18.286 1.00 0.00 H new ATOM 0 HG3 PRO A 466 -2.897 2.325 -17.759 1.00 0.00 H new ATOM 0 HD2 PRO A 466 -4.139 4.738 -16.364 1.00 0.00 H new ATOM 0 HD3 PRO A 466 -4.831 3.145 -16.592 1.00 0.00 H new ATOM 486 N LEU A 467 0.017 3.601 -13.734 1.00 0.00 N ATOM 487 CA LEU A 467 0.830 4.223 -12.689 1.00 0.00 C ATOM 488 C LEU A 467 2.304 3.781 -12.743 1.00 0.00 C ATOM 489 O LEU A 467 2.648 2.820 -13.434 1.00 0.00 O ATOM 490 CB LEU A 467 0.214 3.933 -11.293 1.00 0.00 C ATOM 491 CG LEU A 467 0.421 2.508 -10.725 1.00 0.00 C ATOM 492 CD1 LEU A 467 0.206 2.525 -9.210 1.00 0.00 C ATOM 493 CD2 LEU A 467 -0.528 1.472 -11.339 1.00 0.00 C ATOM 0 H LEU A 467 0.452 2.765 -14.124 1.00 0.00 H new ATOM 0 HA LEU A 467 0.824 5.298 -12.868 1.00 0.00 H new ATOM 0 HB2 LEU A 467 0.631 4.647 -10.582 1.00 0.00 H new ATOM 0 HB3 LEU A 467 -0.857 4.126 -11.347 1.00 0.00 H new ATOM 0 HG LEU A 467 1.440 2.216 -10.979 1.00 0.00 H new ATOM 0 HD11 LEU A 467 0.352 1.521 -8.811 1.00 0.00 H new ATOM 0 HD12 LEU A 467 0.921 3.207 -8.749 1.00 0.00 H new ATOM 0 HD13 LEU A 467 -0.808 2.859 -8.990 1.00 0.00 H new ATOM 0 HD21 LEU A 467 -0.333 0.494 -10.899 1.00 0.00 H new ATOM 0 HD22 LEU A 467 -1.560 1.760 -11.139 1.00 0.00 H new ATOM 0 HD23 LEU A 467 -0.367 1.424 -12.416 1.00 0.00 H new ATOM 505 N VAL A 468 3.147 4.450 -11.953 1.00 0.00 N ATOM 506 CA VAL A 468 4.529 4.053 -11.631 1.00 0.00 C ATOM 507 C VAL A 468 4.734 4.140 -10.107 1.00 0.00 C ATOM 508 O VAL A 468 3.981 4.838 -9.427 1.00 0.00 O ATOM 509 CB VAL A 468 5.581 4.863 -12.440 1.00 0.00 C ATOM 510 CG1 VAL A 468 5.898 6.253 -11.897 1.00 0.00 C ATOM 511 CG2 VAL A 468 6.881 4.062 -12.597 1.00 0.00 C ATOM 0 H VAL A 468 2.878 5.322 -11.498 1.00 0.00 H new ATOM 0 HA VAL A 468 4.686 3.019 -11.937 1.00 0.00 H new ATOM 0 HB VAL A 468 5.108 5.028 -13.408 1.00 0.00 H new ATOM 0 HG11 VAL A 468 6.642 6.731 -12.534 1.00 0.00 H new ATOM 0 HG12 VAL A 468 4.989 6.855 -11.885 1.00 0.00 H new ATOM 0 HG13 VAL A 468 6.289 6.167 -10.883 1.00 0.00 H new ATOM 0 HG21 VAL A 468 7.603 4.648 -13.166 1.00 0.00 H new ATOM 0 HG22 VAL A 468 7.291 3.838 -11.612 1.00 0.00 H new ATOM 0 HG23 VAL A 468 6.673 3.131 -13.124 1.00 0.00 H new ATOM 521 N VAL A 469 5.721 3.420 -9.567 1.00 0.00 N ATOM 522 CA VAL A 469 5.966 3.278 -8.118 1.00 0.00 C ATOM 523 C VAL A 469 7.409 3.680 -7.790 1.00 0.00 C ATOM 524 O VAL A 469 8.344 3.288 -8.489 1.00 0.00 O ATOM 525 CB VAL A 469 5.667 1.832 -7.651 1.00 0.00 C ATOM 526 CG1 VAL A 469 5.942 1.638 -6.150 1.00 0.00 C ATOM 527 CG2 VAL A 469 4.199 1.457 -7.926 1.00 0.00 C ATOM 0 H VAL A 469 6.393 2.904 -10.135 1.00 0.00 H new ATOM 0 HA VAL A 469 5.292 3.944 -7.579 1.00 0.00 H new ATOM 0 HB VAL A 469 6.334 1.185 -8.220 1.00 0.00 H new ATOM 0 HG11 VAL A 469 5.718 0.609 -5.869 1.00 0.00 H new ATOM 0 HG12 VAL A 469 6.991 1.851 -5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 469 5.313 2.317 -5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 469 4.015 0.437 -7.589 1.00 0.00 H new ATOM 0 HG22 VAL A 469 3.542 2.141 -7.389 1.00 0.00 H new ATOM 0 HG23 VAL A 469 4.000 1.527 -8.995 1.00 0.00 H new ATOM 537 N ASP A 470 7.577 4.473 -6.729 1.00 0.00 N ATOM 538 CA ASP A 470 8.828 5.137 -6.337 1.00 0.00 C ATOM 539 C ASP A 470 8.899 5.359 -4.810 1.00 0.00 C ATOM 540 O ASP A 470 7.893 5.249 -4.110 1.00 0.00 O ATOM 541 CB ASP A 470 8.920 6.464 -7.115 1.00 0.00 C ATOM 542 CG ASP A 470 10.251 7.203 -6.902 1.00 0.00 C ATOM 543 OD1 ASP A 470 11.317 6.597 -7.155 1.00 0.00 O ATOM 544 OD2 ASP A 470 10.222 8.388 -6.492 1.00 0.00 O ATOM 0 H ASP A 470 6.811 4.681 -6.089 1.00 0.00 H new ATOM 0 HA ASP A 470 9.681 4.505 -6.585 1.00 0.00 H new ATOM 0 HB2 ASP A 470 8.790 6.263 -8.178 1.00 0.00 H new ATOM 0 HB3 ASP A 470 8.099 7.113 -6.810 1.00 0.00 H new ATOM 786 N GLY A 485 8.549 -0.608 4.697 1.00 0.00 N ATOM 787 CA GLY A 485 7.143 -0.956 4.444 1.00 0.00 C ATOM 788 C GLY A 485 6.295 0.191 3.884 1.00 0.00 C ATOM 789 O GLY A 485 5.083 0.184 4.091 1.00 0.00 O ATOM 0 HA2 GLY A 485 7.109 -1.791 3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 485 6.694 -1.302 5.375 1.00 0.00 H new ATOM 793 N TYR A 486 6.882 1.159 3.171 1.00 0.00 N ATOM 794 CA TYR A 486 6.136 2.246 2.512 1.00 0.00 C ATOM 795 C TYR A 486 6.619 2.563 1.084 1.00 0.00 C ATOM 796 O TYR A 486 7.753 2.260 0.711 1.00 0.00 O ATOM 797 CB TYR A 486 6.119 3.506 3.399 1.00 0.00 C ATOM 798 CG TYR A 486 7.406 4.315 3.412 1.00 0.00 C ATOM 799 CD1 TYR A 486 7.641 5.289 2.420 1.00 0.00 C ATOM 800 CD2 TYR A 486 8.361 4.107 4.425 1.00 0.00 C ATOM 801 CE1 TYR A 486 8.839 6.028 2.419 1.00 0.00 C ATOM 802 CE2 TYR A 486 9.564 4.842 4.428 1.00 0.00 C ATOM 803 CZ TYR A 486 9.810 5.799 3.418 1.00 0.00 C ATOM 804 OH TYR A 486 10.975 6.506 3.407 1.00 0.00 O ATOM 0 H TYR A 486 7.891 1.214 3.032 1.00 0.00 H new ATOM 0 HA TYR A 486 5.115 1.885 2.391 1.00 0.00 H new ATOM 0 HB2 TYR A 486 5.307 4.153 3.066 1.00 0.00 H new ATOM 0 HB3 TYR A 486 5.889 3.206 4.421 1.00 0.00 H new ATOM 0 HD1 TYR A 486 6.898 5.469 1.657 1.00 0.00 H new ATOM 0 HD2 TYR A 486 8.171 3.382 5.203 1.00 0.00 H new ATOM 0 HE1 TYR A 486 9.015 6.770 1.654 1.00 0.00 H new ATOM 0 HE2 TYR A 486 10.298 4.674 5.202 1.00 0.00 H new ATOM 0 HH TYR A 486 11.533 6.228 4.163 1.00 0.00 H new ATOM 814 N ALA A 487 5.748 3.199 0.291 1.00 0.00 N ATOM 815 CA ALA A 487 6.007 3.620 -1.087 1.00 0.00 C ATOM 816 C ALA A 487 5.112 4.800 -1.501 1.00 0.00 C ATOM 817 O ALA A 487 4.103 5.091 -0.848 1.00 0.00 O ATOM 818 CB ALA A 487 5.798 2.412 -2.018 1.00 0.00 C ATOM 0 H ALA A 487 4.809 3.443 0.606 1.00 0.00 H new ATOM 0 HA ALA A 487 7.036 3.971 -1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 487 5.987 2.710 -3.049 1.00 0.00 H new ATOM 0 HB2 ALA A 487 6.486 1.614 -1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 487 4.772 2.055 -1.926 1.00 0.00 H new ATOM 824 N PHE A 488 5.463 5.443 -2.614 1.00 0.00 N ATOM 825 CA PHE A 488 4.670 6.460 -3.297 1.00 0.00 C ATOM 826 C PHE A 488 4.255 5.957 -4.686 1.00 0.00 C ATOM 827 O PHE A 488 5.090 5.624 -5.529 1.00 0.00 O ATOM 828 CB PHE A 488 5.469 7.767 -3.419 1.00 0.00 C ATOM 829 CG PHE A 488 5.724 8.491 -2.112 1.00 0.00 C ATOM 830 CD1 PHE A 488 4.780 9.412 -1.620 1.00 0.00 C ATOM 831 CD2 PHE A 488 6.926 8.281 -1.407 1.00 0.00 C ATOM 832 CE1 PHE A 488 5.054 10.148 -0.454 1.00 0.00 C ATOM 833 CE2 PHE A 488 7.191 9.006 -0.232 1.00 0.00 C ATOM 834 CZ PHE A 488 6.261 9.948 0.239 1.00 0.00 C ATOM 0 H PHE A 488 6.349 5.259 -3.084 1.00 0.00 H new ATOM 0 HA PHE A 488 3.772 6.657 -2.712 1.00 0.00 H new ATOM 0 HB2 PHE A 488 6.428 7.545 -3.887 1.00 0.00 H new ATOM 0 HB3 PHE A 488 4.935 8.439 -4.090 1.00 0.00 H new ATOM 0 HD1 PHE A 488 3.844 9.553 -2.139 1.00 0.00 H new ATOM 0 HD2 PHE A 488 7.645 7.562 -1.770 1.00 0.00 H new ATOM 0 HE1 PHE A 488 4.336 10.868 -0.090 1.00 0.00 H new ATOM 0 HE2 PHE A 488 8.110 8.839 0.309 1.00 0.00 H new ATOM 0 HZ PHE A 488 6.473 10.518 1.132 1.00 0.00 H new ATOM 844 N LEU A 489 2.945 5.937 -4.923 1.00 0.00 N ATOM 845 CA LEU A 489 2.320 5.708 -6.223 1.00 0.00 C ATOM 846 C LEU A 489 2.223 7.040 -6.968 1.00 0.00 C ATOM 847 O LEU A 489 1.877 8.059 -6.362 1.00 0.00 O ATOM 848 CB LEU A 489 0.899 5.143 -6.033 1.00 0.00 C ATOM 849 CG LEU A 489 0.733 3.993 -5.021 1.00 0.00 C ATOM 850 CD1 LEU A 489 -0.755 3.651 -4.923 1.00 0.00 C ATOM 851 CD2 LEU A 489 1.542 2.746 -5.394 1.00 0.00 C ATOM 0 H LEU A 489 2.261 6.087 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 489 2.920 4.996 -6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 489 0.247 5.961 -5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 489 0.540 4.796 -7.002 1.00 0.00 H new ATOM 0 HG LEU A 489 1.121 4.328 -4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 489 -0.895 2.838 -4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 489 -1.308 4.528 -4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 489 -1.123 3.343 -5.902 1.00 0.00 H new ATOM 0 HD21 LEU A 489 1.384 1.972 -4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 489 1.217 2.379 -6.368 1.00 0.00 H new ATOM 0 HD23 LEU A 489 2.601 2.999 -5.437 1.00 0.00 H new ATOM 863 N LEU A 490 2.461 7.011 -8.277 1.00 0.00 N ATOM 864 CA LEU A 490 2.255 8.119 -9.207 1.00 0.00 C ATOM 865 C LEU A 490 1.336 7.624 -10.330 1.00 0.00 C ATOM 866 O LEU A 490 1.765 6.818 -11.161 1.00 0.00 O ATOM 867 CB LEU A 490 3.605 8.565 -9.800 1.00 0.00 C ATOM 868 CG LEU A 490 4.755 8.900 -8.836 1.00 0.00 C ATOM 869 CD1 LEU A 490 6.003 9.196 -9.684 1.00 0.00 C ATOM 870 CD2 LEU A 490 4.414 10.088 -7.930 1.00 0.00 C ATOM 0 H LEU A 490 2.819 6.176 -8.740 1.00 0.00 H new ATOM 0 HA LEU A 490 1.807 8.968 -8.691 1.00 0.00 H new ATOM 0 HB2 LEU A 490 3.951 7.775 -10.467 1.00 0.00 H new ATOM 0 HB3 LEU A 490 3.422 9.445 -10.416 1.00 0.00 H new ATOM 0 HG LEU A 490 4.934 8.054 -8.173 1.00 0.00 H new ATOM 0 HD11 LEU A 490 6.839 9.438 -9.028 1.00 0.00 H new ATOM 0 HD12 LEU A 490 6.253 8.320 -10.282 1.00 0.00 H new ATOM 0 HD13 LEU A 490 5.803 10.040 -10.344 1.00 0.00 H new ATOM 0 HD21 LEU A 490 5.253 10.291 -7.265 1.00 0.00 H new ATOM 0 HD22 LEU A 490 4.215 10.967 -8.543 1.00 0.00 H new ATOM 0 HD23 LEU A 490 3.530 9.852 -7.337 1.00 0.00 H new ATOM 882 N PHE A 491 0.080 8.071 -10.349 1.00 0.00 N ATOM 883 CA PHE A 491 -0.911 7.665 -11.350 1.00 0.00 C ATOM 884 C PHE A 491 -0.833 8.518 -12.627 1.00 0.00 C ATOM 885 O PHE A 491 -0.324 9.641 -12.618 1.00 0.00 O ATOM 886 CB PHE A 491 -2.314 7.707 -10.727 1.00 0.00 C ATOM 887 CG PHE A 491 -2.556 6.648 -9.665 1.00 0.00 C ATOM 888 CD1 PHE A 491 -3.065 5.384 -10.027 1.00 0.00 C ATOM 889 CD2 PHE A 491 -2.274 6.920 -8.313 1.00 0.00 C ATOM 890 CE1 PHE A 491 -3.288 4.405 -9.043 1.00 0.00 C ATOM 891 CE2 PHE A 491 -2.519 5.948 -7.327 1.00 0.00 C ATOM 892 CZ PHE A 491 -3.030 4.692 -7.692 1.00 0.00 C ATOM 0 H PHE A 491 -0.283 8.732 -9.663 1.00 0.00 H new ATOM 0 HA PHE A 491 -0.689 6.643 -11.657 1.00 0.00 H new ATOM 0 HB2 PHE A 491 -2.474 8.691 -10.286 1.00 0.00 H new ATOM 0 HB3 PHE A 491 -3.054 7.588 -11.518 1.00 0.00 H new ATOM 0 HD1 PHE A 491 -3.284 5.167 -11.062 1.00 0.00 H new ATOM 0 HD2 PHE A 491 -1.867 7.880 -8.032 1.00 0.00 H new ATOM 0 HE1 PHE A 491 -3.658 3.431 -9.326 1.00 0.00 H new ATOM 0 HE2 PHE A 491 -2.314 6.167 -6.289 1.00 0.00 H new ATOM 0 HZ PHE A 491 -3.225 3.947 -6.935 1.00 0.00 H new ATOM 902 N GLN A 492 -1.367 7.992 -13.732 1.00 0.00 N ATOM 903 CA GLN A 492 -1.444 8.693 -15.018 1.00 0.00 C ATOM 904 C GLN A 492 -2.394 9.904 -14.962 1.00 0.00 C ATOM 905 O GLN A 492 -2.108 10.935 -15.568 1.00 0.00 O ATOM 906 CB GLN A 492 -1.886 7.678 -16.088 1.00 0.00 C ATOM 907 CG GLN A 492 -1.911 8.246 -17.517 1.00 0.00 C ATOM 908 CD GLN A 492 -2.327 7.185 -18.539 1.00 0.00 C ATOM 909 OE1 GLN A 492 -1.505 6.449 -19.075 1.00 0.00 O ATOM 910 NE2 GLN A 492 -3.600 7.051 -18.854 1.00 0.00 N ATOM 0 H GLN A 492 -1.764 7.053 -13.760 1.00 0.00 H new ATOM 0 HA GLN A 492 -0.463 9.097 -15.269 1.00 0.00 H new ATOM 0 HB2 GLN A 492 -1.213 6.821 -16.061 1.00 0.00 H new ATOM 0 HB3 GLN A 492 -2.881 7.311 -15.837 1.00 0.00 H new ATOM 0 HG2 GLN A 492 -2.603 9.087 -17.563 1.00 0.00 H new ATOM 0 HG3 GLN A 492 -0.924 8.631 -17.773 1.00 0.00 H new ATOM 0 HE21 GLN A 492 -4.299 7.653 -18.419 1.00 0.00 H new ATOM 0 HE22 GLN A 492 -3.886 6.345 -19.532 1.00 0.00 H new ATOM 919 N GLU A 493 -3.497 9.807 -14.214 1.00 0.00 N ATOM 920 CA GLU A 493 -4.589 10.783 -14.171 1.00 0.00 C ATOM 921 C GLU A 493 -5.118 10.920 -12.737 1.00 0.00 C ATOM 922 O GLU A 493 -5.163 9.946 -11.983 1.00 0.00 O ATOM 923 CB GLU A 493 -5.718 10.325 -15.114 1.00 0.00 C ATOM 924 CG GLU A 493 -5.371 10.548 -16.592 1.00 0.00 C ATOM 925 CD GLU A 493 -6.255 9.710 -17.522 1.00 0.00 C ATOM 926 OE1 GLU A 493 -7.386 10.142 -17.852 1.00 0.00 O ATOM 927 OE2 GLU A 493 -5.799 8.623 -17.952 1.00 0.00 O ATOM 0 H GLU A 493 -3.660 9.012 -13.596 1.00 0.00 H new ATOM 0 HA GLU A 493 -4.219 11.755 -14.497 1.00 0.00 H new ATOM 0 HB2 GLU A 493 -5.921 9.267 -14.947 1.00 0.00 H new ATOM 0 HB3 GLU A 493 -6.632 10.867 -14.872 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -5.487 11.604 -16.836 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -4.324 10.295 -16.761 1.00 0.00 H new ATOM 934 N GLU A 494 -5.539 12.130 -12.350 1.00 0.00 N ATOM 935 CA GLU A 494 -6.046 12.404 -10.996 1.00 0.00 C ATOM 936 C GLU A 494 -7.336 11.617 -10.695 1.00 0.00 C ATOM 937 O GLU A 494 -7.577 11.210 -9.558 1.00 0.00 O ATOM 938 CB GLU A 494 -6.289 13.912 -10.817 1.00 0.00 C ATOM 939 CG GLU A 494 -4.986 14.720 -10.799 1.00 0.00 C ATOM 940 CD GLU A 494 -5.220 16.226 -10.591 1.00 0.00 C ATOM 941 OE1 GLU A 494 -6.026 16.832 -11.337 1.00 0.00 O ATOM 942 OE2 GLU A 494 -4.561 16.821 -9.707 1.00 0.00 O ATOM 0 H GLU A 494 -5.539 12.946 -12.963 1.00 0.00 H new ATOM 0 HA GLU A 494 -5.287 12.073 -10.287 1.00 0.00 H new ATOM 0 HB2 GLU A 494 -6.925 14.273 -11.626 1.00 0.00 H new ATOM 0 HB3 GLU A 494 -6.830 14.081 -9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 494 -4.342 14.344 -10.004 1.00 0.00 H new ATOM 0 HG3 GLU A 494 -4.456 14.566 -11.739 1.00 0.00 H new ATOM 949 N SER A 495 -8.130 11.300 -11.719 1.00 0.00 N ATOM 950 CA SER A 495 -9.309 10.431 -11.611 1.00 0.00 C ATOM 951 C SER A 495 -8.974 9.015 -11.110 1.00 0.00 C ATOM 952 O SER A 495 -9.811 8.385 -10.465 1.00 0.00 O ATOM 953 CB SER A 495 -10.036 10.372 -12.963 1.00 0.00 C ATOM 954 OG SER A 495 -9.147 10.031 -14.022 1.00 0.00 O ATOM 0 H SER A 495 -7.971 11.645 -12.666 1.00 0.00 H new ATOM 0 HA SER A 495 -9.964 10.870 -10.859 1.00 0.00 H new ATOM 0 HB2 SER A 495 -10.841 9.638 -12.912 1.00 0.00 H new ATOM 0 HB3 SER A 495 -10.497 11.337 -13.171 1.00 0.00 H new ATOM 0 HG SER A 495 -9.642 10.000 -14.867 1.00 0.00 H new ATOM 960 N SER A 496 -7.741 8.530 -11.290 1.00 0.00 N ATOM 961 CA SER A 496 -7.279 7.269 -10.693 1.00 0.00 C ATOM 962 C SER A 496 -7.097 7.382 -9.171 1.00 0.00 C ATOM 963 O SER A 496 -7.285 6.398 -8.456 1.00 0.00 O ATOM 964 CB SER A 496 -5.944 6.836 -11.315 1.00 0.00 C ATOM 965 OG SER A 496 -6.006 6.724 -12.732 1.00 0.00 O ATOM 0 H SER A 496 -7.033 9.000 -11.854 1.00 0.00 H new ATOM 0 HA SER A 496 -8.050 6.526 -10.898 1.00 0.00 H new ATOM 0 HB2 SER A 496 -5.172 7.557 -11.046 1.00 0.00 H new ATOM 0 HB3 SER A 496 -5.646 5.877 -10.892 1.00 0.00 H new ATOM 0 HG SER A 496 -6.429 5.874 -12.975 1.00 0.00 H new ATOM 971 N VAL A 497 -6.792 8.580 -8.654 1.00 0.00 N ATOM 972 CA VAL A 497 -6.658 8.822 -7.209 1.00 0.00 C ATOM 973 C VAL A 497 -8.044 8.966 -6.573 1.00 0.00 C ATOM 974 O VAL A 497 -8.278 8.412 -5.502 1.00 0.00 O ATOM 975 CB VAL A 497 -5.744 10.030 -6.893 1.00 0.00 C ATOM 976 CG1 VAL A 497 -5.601 10.247 -5.377 1.00 0.00 C ATOM 977 CG2 VAL A 497 -4.348 9.794 -7.496 1.00 0.00 C ATOM 0 H VAL A 497 -6.631 9.410 -9.225 1.00 0.00 H new ATOM 0 HA VAL A 497 -6.164 7.957 -6.767 1.00 0.00 H new ATOM 0 HB VAL A 497 -6.202 10.918 -7.329 1.00 0.00 H new ATOM 0 HG11 VAL A 497 -4.953 11.103 -5.192 1.00 0.00 H new ATOM 0 HG12 VAL A 497 -6.583 10.434 -4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 497 -5.166 9.357 -4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 497 -3.706 10.646 -7.272 1.00 0.00 H new ATOM 0 HG22 VAL A 497 -3.914 8.891 -7.067 1.00 0.00 H new ATOM 0 HG23 VAL A 497 -4.433 9.678 -8.576 1.00 0.00 H new ATOM 987 N GLN A 498 -9.004 9.593 -7.262 1.00 0.00 N ATOM 988 CA GLN A 498 -10.409 9.591 -6.842 1.00 0.00 C ATOM 989 C GLN A 498 -11.004 8.176 -6.872 1.00 0.00 C ATOM 990 O GLN A 498 -11.724 7.808 -5.946 1.00 0.00 O ATOM 991 CB GLN A 498 -11.200 10.534 -7.767 1.00 0.00 C ATOM 992 CG GLN A 498 -12.731 10.545 -7.574 1.00 0.00 C ATOM 993 CD GLN A 498 -13.200 11.008 -6.195 1.00 0.00 C ATOM 994 OE1 GLN A 498 -13.593 12.150 -5.996 1.00 0.00 O ATOM 995 NE2 GLN A 498 -13.207 10.147 -5.197 1.00 0.00 N ATOM 0 H GLN A 498 -8.830 10.113 -8.122 1.00 0.00 H new ATOM 0 HA GLN A 498 -10.474 9.941 -5.812 1.00 0.00 H new ATOM 0 HB2 GLN A 498 -10.828 11.548 -7.622 1.00 0.00 H new ATOM 0 HB3 GLN A 498 -10.986 10.261 -8.800 1.00 0.00 H new ATOM 0 HG2 GLN A 498 -13.174 11.194 -8.330 1.00 0.00 H new ATOM 0 HG3 GLN A 498 -13.113 9.540 -7.754 1.00 0.00 H new ATOM 0 HE21 GLN A 498 -12.883 9.191 -5.346 1.00 0.00 H new ATOM 0 HE22 GLN A 498 -13.537 10.436 -4.276 1.00 0.00 H new ATOM 1004 N ALA A 499 -10.691 7.368 -7.890 1.00 0.00 N ATOM 1005 CA ALA A 499 -11.117 5.964 -7.958 1.00 0.00 C ATOM 1006 C ALA A 499 -10.560 5.126 -6.794 1.00 0.00 C ATOM 1007 O ALA A 499 -11.277 4.285 -6.246 1.00 0.00 O ATOM 1008 CB ALA A 499 -10.697 5.365 -9.304 1.00 0.00 C ATOM 0 H ALA A 499 -10.135 7.668 -8.691 1.00 0.00 H new ATOM 0 HA ALA A 499 -12.203 5.940 -7.869 1.00 0.00 H new ATOM 0 HB1 ALA A 499 -11.014 4.323 -9.353 1.00 0.00 H new ATOM 0 HB2 ALA A 499 -11.165 5.925 -10.113 1.00 0.00 H new ATOM 0 HB3 ALA A 499 -9.613 5.420 -9.404 1.00 0.00 H new ATOM 1014 N LEU A 500 -9.312 5.386 -6.384 1.00 0.00 N ATOM 1015 CA LEU A 500 -8.719 4.797 -5.184 1.00 0.00 C ATOM 1016 C LEU A 500 -9.454 5.263 -3.917 1.00 0.00 C ATOM 1017 O LEU A 500 -9.850 4.429 -3.107 1.00 0.00 O ATOM 1018 CB LEU A 500 -7.207 5.100 -5.181 1.00 0.00 C ATOM 1019 CG LEU A 500 -6.459 4.744 -3.882 1.00 0.00 C ATOM 1020 CD1 LEU A 500 -6.625 3.281 -3.467 1.00 0.00 C ATOM 1021 CD2 LEU A 500 -4.964 5.032 -4.070 1.00 0.00 C ATOM 0 H LEU A 500 -8.683 6.016 -6.882 1.00 0.00 H new ATOM 0 HA LEU A 500 -8.835 3.713 -5.191 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -6.744 4.558 -6.006 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -7.067 6.163 -5.380 1.00 0.00 H new ATOM 0 HG LEU A 500 -6.892 5.356 -3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -6.073 3.099 -2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -7.681 3.066 -3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -6.239 2.633 -4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -4.427 4.783 -3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -4.578 4.430 -4.892 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -4.823 6.089 -4.297 1.00 0.00 H new ATOM 1033 N ILE A 501 -9.707 6.568 -3.765 1.00 0.00 N ATOM 1034 CA ILE A 501 -10.475 7.140 -2.637 1.00 0.00 C ATOM 1035 C ILE A 501 -11.871 6.501 -2.526 1.00 0.00 C ATOM 1036 O ILE A 501 -12.303 6.154 -1.427 1.00 0.00 O ATOM 1037 CB ILE A 501 -10.555 8.684 -2.770 1.00 0.00 C ATOM 1038 CG1 ILE A 501 -9.164 9.326 -2.563 1.00 0.00 C ATOM 1039 CG2 ILE A 501 -11.555 9.289 -1.764 1.00 0.00 C ATOM 1040 CD1 ILE A 501 -9.047 10.765 -3.074 1.00 0.00 C ATOM 0 H ILE A 501 -9.382 7.272 -4.428 1.00 0.00 H new ATOM 0 HA ILE A 501 -9.950 6.909 -1.710 1.00 0.00 H new ATOM 0 HB ILE A 501 -10.905 8.901 -3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -8.925 9.311 -1.500 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -8.416 8.713 -3.066 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -11.584 10.372 -1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -12.548 8.876 -1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 501 -11.241 9.047 -0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 501 -8.039 11.136 -2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 501 -9.251 10.789 -4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 501 -9.768 11.396 -2.553 1.00 0.00 H new ATOM 1052 N ASP A 502 -12.551 6.288 -3.653 1.00 0.00 N ATOM 1053 CA ASP A 502 -13.884 5.672 -3.725 1.00 0.00 C ATOM 1054 C ASP A 502 -13.888 4.168 -3.366 1.00 0.00 C ATOM 1055 O ASP A 502 -14.938 3.621 -3.020 1.00 0.00 O ATOM 1056 CB ASP A 502 -14.457 5.918 -5.130 1.00 0.00 C ATOM 1057 CG ASP A 502 -15.921 5.467 -5.266 1.00 0.00 C ATOM 1058 OD1 ASP A 502 -16.802 6.092 -4.628 1.00 0.00 O ATOM 1059 OD2 ASP A 502 -16.191 4.518 -6.040 1.00 0.00 O ATOM 0 H ASP A 502 -12.183 6.545 -4.569 1.00 0.00 H new ATOM 0 HA ASP A 502 -14.517 6.141 -2.971 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -14.386 6.980 -5.365 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -13.849 5.388 -5.863 1.00 0.00 H new ATOM 1064 N ALA A 503 -12.721 3.511 -3.392 1.00 0.00 N ATOM 1065 CA ALA A 503 -12.529 2.117 -2.983 1.00 0.00 C ATOM 1066 C ALA A 503 -11.944 1.967 -1.564 1.00 0.00 C ATOM 1067 O ALA A 503 -11.991 0.872 -0.996 1.00 0.00 O ATOM 1068 CB ALA A 503 -11.638 1.439 -4.030 1.00 0.00 C ATOM 0 H ALA A 503 -11.857 3.951 -3.709 1.00 0.00 H new ATOM 0 HA ALA A 503 -13.504 1.633 -2.934 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -11.477 0.398 -3.751 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -12.124 1.483 -5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -10.678 1.954 -4.079 1.00 0.00 H new ATOM 1074 N CYS A 504 -11.413 3.044 -0.973 1.00 0.00 N ATOM 1075 CA CYS A 504 -10.808 3.028 0.357 1.00 0.00 C ATOM 1076 C CYS A 504 -11.841 2.940 1.497 1.00 0.00 C ATOM 1077 O CYS A 504 -12.936 3.507 1.433 1.00 0.00 O ATOM 1078 CB CYS A 504 -9.946 4.287 0.548 1.00 0.00 C ATOM 1079 SG CYS A 504 -8.369 4.145 -0.337 1.00 0.00 S ATOM 0 H CYS A 504 -11.393 3.963 -1.415 1.00 0.00 H new ATOM 0 HA CYS A 504 -10.197 2.127 0.411 1.00 0.00 H new ATOM 0 HB2 CYS A 504 -10.490 5.161 0.189 1.00 0.00 H new ATOM 0 HB3 CYS A 504 -9.757 4.443 1.610 1.00 0.00 H new ATOM 0 HG CYS A 504 -8.579 4.242 -1.616 1.00 0.00 H new ATOM 1085 N LEU A 505 -11.440 2.256 2.569 1.00 0.00 N ATOM 1086 CA LEU A 505 -12.090 2.272 3.881 1.00 0.00 C ATOM 1087 C LEU A 505 -11.594 3.512 4.645 1.00 0.00 C ATOM 1088 O LEU A 505 -10.666 4.189 4.201 1.00 0.00 O ATOM 1089 CB LEU A 505 -11.746 0.974 4.643 1.00 0.00 C ATOM 1090 CG LEU A 505 -12.265 -0.314 3.976 1.00 0.00 C ATOM 1091 CD1 LEU A 505 -11.710 -1.537 4.719 1.00 0.00 C ATOM 1092 CD2 LEU A 505 -13.800 -0.379 3.946 1.00 0.00 C ATOM 0 H LEU A 505 -10.620 1.650 2.547 1.00 0.00 H new ATOM 0 HA LEU A 505 -13.174 2.322 3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 505 -10.663 0.904 4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 505 -12.158 1.038 5.650 1.00 0.00 H new ATOM 0 HG LEU A 505 -11.919 -0.311 2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 505 -12.078 -2.448 4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 505 -10.621 -1.523 4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 505 -12.037 -1.510 5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 505 -14.116 -1.305 3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 505 -14.185 -0.349 4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 505 -14.189 0.471 3.385 1.00 0.00 H new ATOM 1104 N GLU A 506 -12.184 3.799 5.805 1.00 0.00 N ATOM 1105 CA GLU A 506 -11.881 5.000 6.594 1.00 0.00 C ATOM 1106 C GLU A 506 -11.924 4.715 8.103 1.00 0.00 C ATOM 1107 O GLU A 506 -12.882 4.124 8.605 1.00 0.00 O ATOM 1108 CB GLU A 506 -12.854 6.128 6.210 1.00 0.00 C ATOM 1109 CG GLU A 506 -12.484 7.478 6.841 1.00 0.00 C ATOM 1110 CD GLU A 506 -13.530 8.540 6.486 1.00 0.00 C ATOM 1111 OE1 GLU A 506 -13.400 9.210 5.438 1.00 0.00 O ATOM 1112 OE2 GLU A 506 -14.513 8.709 7.245 1.00 0.00 O ATOM 0 H GLU A 506 -12.893 3.201 6.230 1.00 0.00 H new ATOM 0 HA GLU A 506 -10.864 5.317 6.365 1.00 0.00 H new ATOM 0 HB2 GLU A 506 -12.871 6.232 5.125 1.00 0.00 H new ATOM 0 HB3 GLU A 506 -13.862 5.852 6.520 1.00 0.00 H new ATOM 0 HG2 GLU A 506 -12.416 7.374 7.924 1.00 0.00 H new ATOM 0 HG3 GLU A 506 -11.502 7.794 6.489 1.00 0.00 H new ATOM 1175 N LEU A 511 -7.418 6.967 5.461 1.00 0.00 N ATOM 1176 CA LEU A 511 -7.927 6.007 4.472 1.00 0.00 C ATOM 1177 C LEU A 511 -7.087 4.725 4.434 1.00 0.00 C ATOM 1178 O LEU A 511 -5.890 4.747 4.722 1.00 0.00 O ATOM 1179 CB LEU A 511 -7.985 6.666 3.079 1.00 0.00 C ATOM 1180 CG LEU A 511 -8.962 7.850 2.931 1.00 0.00 C ATOM 1181 CD1 LEU A 511 -8.868 8.400 1.499 1.00 0.00 C ATOM 1182 CD2 LEU A 511 -10.415 7.457 3.234 1.00 0.00 C ATOM 0 HA LEU A 511 -8.935 5.719 4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 511 -6.984 7.012 2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 511 -8.257 5.903 2.349 1.00 0.00 H new ATOM 0 HG LEU A 511 -8.675 8.609 3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 511 -9.556 9.238 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 511 -7.850 8.737 1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 511 -9.132 7.615 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 511 -11.060 8.328 3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 511 -10.731 6.674 2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 511 -10.487 7.090 4.258 1.00 0.00 H new ATOM 1194 N TYR A 512 -7.710 3.607 4.049 1.00 0.00 N ATOM 1195 CA TYR A 512 -7.067 2.286 3.972 1.00 0.00 C ATOM 1196 C TYR A 512 -7.561 1.441 2.783 1.00 0.00 C ATOM 1197 O TYR A 512 -8.732 1.485 2.413 1.00 0.00 O ATOM 1198 CB TYR A 512 -7.252 1.500 5.286 1.00 0.00 C ATOM 1199 CG TYR A 512 -6.659 2.148 6.524 1.00 0.00 C ATOM 1200 CD1 TYR A 512 -7.374 3.152 7.208 1.00 0.00 C ATOM 1201 CD2 TYR A 512 -5.392 1.751 6.997 1.00 0.00 C ATOM 1202 CE1 TYR A 512 -6.806 3.792 8.323 1.00 0.00 C ATOM 1203 CE2 TYR A 512 -4.827 2.373 8.128 1.00 0.00 C ATOM 1204 CZ TYR A 512 -5.531 3.406 8.788 1.00 0.00 C ATOM 1205 OH TYR A 512 -4.987 4.030 9.872 1.00 0.00 O ATOM 0 H TYR A 512 -8.693 3.591 3.777 1.00 0.00 H new ATOM 0 HA TYR A 512 -6.006 2.480 3.812 1.00 0.00 H new ATOM 0 HB2 TYR A 512 -8.319 1.349 5.452 1.00 0.00 H new ATOM 0 HB3 TYR A 512 -6.806 0.513 5.165 1.00 0.00 H new ATOM 0 HD1 TYR A 512 -8.362 3.431 6.874 1.00 0.00 H new ATOM 0 HD2 TYR A 512 -4.851 0.966 6.490 1.00 0.00 H new ATOM 0 HE1 TYR A 512 -7.347 4.581 8.825 1.00 0.00 H new ATOM 0 HE2 TYR A 512 -3.858 2.061 8.490 1.00 0.00 H new ATOM 0 HH TYR A 512 -4.106 3.645 10.063 1.00 0.00 H new ATOM 1215 N LEU A 513 -6.666 0.619 2.230 1.00 0.00 N ATOM 1216 CA LEU A 513 -6.938 -0.416 1.224 1.00 0.00 C ATOM 1217 C LEU A 513 -6.283 -1.734 1.688 1.00 0.00 C ATOM 1218 O LEU A 513 -5.797 -1.807 2.818 1.00 0.00 O ATOM 1219 CB LEU A 513 -6.400 0.077 -0.139 1.00 0.00 C ATOM 1220 CG LEU A 513 -7.178 -0.467 -1.353 1.00 0.00 C ATOM 1221 CD1 LEU A 513 -8.470 0.337 -1.561 1.00 0.00 C ATOM 1222 CD2 LEU A 513 -6.324 -0.383 -2.620 1.00 0.00 C ATOM 0 H LEU A 513 -5.679 0.658 2.484 1.00 0.00 H new ATOM 0 HA LEU A 513 -8.005 -0.605 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -6.432 1.166 -0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 513 -5.353 -0.213 -0.231 1.00 0.00 H new ATOM 0 HG LEU A 513 -7.426 -1.510 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -9.010 -0.058 -2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -9.096 0.256 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 513 -8.223 1.384 -1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -6.890 -0.772 -3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -6.055 0.656 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -5.418 -0.974 -2.488 1.00 0.00 H new ATOM 1234 N CYS A 514 -6.217 -2.763 0.838 1.00 0.00 N ATOM 1235 CA CYS A 514 -5.591 -4.053 1.155 1.00 0.00 C ATOM 1236 C CYS A 514 -4.810 -4.654 -0.031 1.00 0.00 C ATOM 1237 O CYS A 514 -5.141 -4.405 -1.195 1.00 0.00 O ATOM 1238 CB CYS A 514 -6.656 -5.003 1.732 1.00 0.00 C ATOM 1239 SG CYS A 514 -7.963 -5.326 0.508 1.00 0.00 S ATOM 0 H CYS A 514 -6.603 -2.724 -0.105 1.00 0.00 H new ATOM 0 HA CYS A 514 -4.828 -3.893 1.916 1.00 0.00 H new ATOM 0 HB2 CYS A 514 -6.190 -5.942 2.029 1.00 0.00 H new ATOM 0 HB3 CYS A 514 -7.092 -4.565 2.630 1.00 0.00 H new ATOM 0 HG CYS A 514 -8.847 -6.131 1.019 1.00 0.00 H new ATOM 1245 N VAL A 515 -3.759 -5.417 0.285 1.00 0.00 N ATOM 1246 CA VAL A 515 -2.735 -5.950 -0.645 1.00 0.00 C ATOM 1247 C VAL A 515 -2.167 -7.281 -0.116 1.00 0.00 C ATOM 1248 O VAL A 515 -2.415 -7.635 1.032 1.00 0.00 O ATOM 1249 CB VAL A 515 -1.588 -4.930 -0.885 1.00 0.00 C ATOM 1250 CG1 VAL A 515 -2.087 -3.618 -1.512 1.00 0.00 C ATOM 1251 CG2 VAL A 515 -0.807 -4.599 0.397 1.00 0.00 C ATOM 0 H VAL A 515 -3.582 -5.700 1.249 1.00 0.00 H new ATOM 0 HA VAL A 515 -3.223 -6.129 -1.603 1.00 0.00 H new ATOM 0 HB VAL A 515 -0.918 -5.428 -1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -1.245 -2.941 -1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -2.554 -3.829 -2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -2.816 -3.152 -0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -0.019 -3.882 0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -1.485 -4.170 1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -0.363 -5.510 0.798 1.00 0.00 H new ATOM 1261 N SER A 516 -1.399 -8.025 -0.921 1.00 0.00 N ATOM 1262 CA SER A 516 -0.880 -9.360 -0.551 1.00 0.00 C ATOM 1263 C SER A 516 0.534 -9.649 -1.092 1.00 0.00 C ATOM 1264 O SER A 516 1.004 -9.024 -2.043 1.00 0.00 O ATOM 1265 CB SER A 516 -1.825 -10.470 -1.048 1.00 0.00 C ATOM 1266 OG SER A 516 -3.130 -10.371 -0.495 1.00 0.00 O ATOM 0 H SER A 516 -1.115 -7.722 -1.853 1.00 0.00 H new ATOM 0 HA SER A 516 -0.825 -9.353 0.538 1.00 0.00 H new ATOM 0 HB2 SER A 516 -1.892 -10.424 -2.135 1.00 0.00 H new ATOM 0 HB3 SER A 516 -1.401 -11.442 -0.795 1.00 0.00 H new ATOM 0 HG SER A 516 -3.689 -11.097 -0.844 1.00 0.00 H new ATOM 1272 N SER A 517 1.204 -10.642 -0.506 1.00 0.00 N ATOM 1273 CA SER A 517 2.555 -11.115 -0.842 1.00 0.00 C ATOM 1274 C SER A 517 2.689 -12.640 -0.589 1.00 0.00 C ATOM 1275 O SER A 517 1.736 -13.265 -0.099 1.00 0.00 O ATOM 1276 CB SER A 517 3.566 -10.338 0.018 1.00 0.00 C ATOM 1277 OG SER A 517 3.519 -10.808 1.358 1.00 0.00 O ATOM 0 H SER A 517 0.796 -11.173 0.264 1.00 0.00 H new ATOM 0 HA SER A 517 2.750 -10.941 -1.900 1.00 0.00 H new ATOM 0 HB2 SER A 517 4.571 -10.461 -0.385 1.00 0.00 H new ATOM 0 HB3 SER A 517 3.339 -9.272 -0.012 1.00 0.00 H new ATOM 0 HG SER A 517 4.431 -10.921 1.697 1.00 0.00 H new ATOM 1283 N PRO A 518 3.858 -13.264 -0.859 1.00 0.00 N ATOM 1284 CA PRO A 518 4.144 -14.644 -0.465 1.00 0.00 C ATOM 1285 C PRO A 518 4.198 -14.869 1.056 1.00 0.00 C ATOM 1286 O PRO A 518 4.173 -16.023 1.489 1.00 0.00 O ATOM 1287 CB PRO A 518 5.494 -14.994 -1.104 1.00 0.00 C ATOM 1288 CG PRO A 518 5.620 -14.002 -2.257 1.00 0.00 C ATOM 1289 CD PRO A 518 4.950 -12.760 -1.677 1.00 0.00 C ATOM 0 HA PRO A 518 3.332 -15.286 -0.807 1.00 0.00 H new ATOM 0 HB2 PRO A 518 6.313 -14.887 -0.393 1.00 0.00 H new ATOM 0 HB3 PRO A 518 5.513 -16.024 -1.459 1.00 0.00 H new ATOM 0 HG2 PRO A 518 6.660 -13.817 -2.525 1.00 0.00 H new ATOM 0 HG3 PRO A 518 5.117 -14.355 -3.157 1.00 0.00 H new ATOM 0 HD2 PRO A 518 5.651 -12.176 -1.081 1.00 0.00 H new ATOM 0 HD3 PRO A 518 4.581 -12.106 -2.467 1.00 0.00 H new ATOM 1297 N THR A 519 4.268 -13.797 1.864 1.00 0.00 N ATOM 1298 CA THR A 519 4.375 -13.853 3.330 1.00 0.00 C ATOM 1299 C THR A 519 3.090 -13.441 4.040 1.00 0.00 C ATOM 1300 O THR A 519 2.790 -14.018 5.084 1.00 0.00 O ATOM 1301 CB THR A 519 5.552 -13.006 3.830 1.00 0.00 C ATOM 1302 OG1 THR A 519 5.471 -11.699 3.305 1.00 0.00 O ATOM 1303 CG2 THR A 519 6.889 -13.618 3.408 1.00 0.00 C ATOM 0 H THR A 519 4.251 -12.843 1.505 1.00 0.00 H new ATOM 0 HA THR A 519 4.555 -14.899 3.579 1.00 0.00 H new ATOM 0 HB THR A 519 5.497 -12.977 4.918 1.00 0.00 H new ATOM 0 HG1 THR A 519 6.302 -11.217 3.499 1.00 0.00 H new ATOM 0 HG21 THR A 519 7.706 -12.997 3.776 1.00 0.00 H new ATOM 0 HG22 THR A 519 6.979 -14.620 3.826 1.00 0.00 H new ATOM 0 HG23 THR A 519 6.937 -13.673 2.320 1.00 0.00 H new ATOM 1311 N ILE A 520 2.301 -12.515 3.479 1.00 0.00 N ATOM 1312 CA ILE A 520 1.053 -12.008 4.079 1.00 0.00 C ATOM 1313 C ILE A 520 -0.074 -11.953 3.037 1.00 0.00 C ATOM 1314 O ILE A 520 0.057 -11.311 1.995 1.00 0.00 O ATOM 1315 CB ILE A 520 1.240 -10.602 4.708 1.00 0.00 C ATOM 1316 CG1 ILE A 520 2.532 -10.370 5.528 1.00 0.00 C ATOM 1317 CG2 ILE A 520 0.000 -10.278 5.567 1.00 0.00 C ATOM 1318 CD1 ILE A 520 2.611 -11.074 6.887 1.00 0.00 C ATOM 0 H ILE A 520 2.514 -12.087 2.578 1.00 0.00 H new ATOM 0 HA ILE A 520 0.781 -12.705 4.872 1.00 0.00 H new ATOM 0 HB ILE A 520 1.351 -9.924 3.862 1.00 0.00 H new ATOM 0 HG12 ILE A 520 3.381 -10.693 4.926 1.00 0.00 H new ATOM 0 HG13 ILE A 520 2.646 -9.298 5.691 1.00 0.00 H new ATOM 0 HG21 ILE A 520 0.116 -9.292 6.016 1.00 0.00 H new ATOM 0 HG22 ILE A 520 -0.891 -10.288 4.939 1.00 0.00 H new ATOM 0 HG23 ILE A 520 -0.103 -11.025 6.354 1.00 0.00 H new ATOM 0 HD11 ILE A 520 3.561 -10.835 7.366 1.00 0.00 H new ATOM 0 HD12 ILE A 520 1.791 -10.736 7.520 1.00 0.00 H new ATOM 0 HD13 ILE A 520 2.538 -12.152 6.743 1.00 0.00 H new ATOM 1330 N LYS A 521 -1.217 -12.567 3.348 1.00 0.00 N ATOM 1331 CA LYS A 521 -2.457 -12.452 2.571 1.00 0.00 C ATOM 1332 C LYS A 521 -3.398 -11.387 3.163 1.00 0.00 C ATOM 1333 O LYS A 521 -3.668 -11.391 4.367 1.00 0.00 O ATOM 1334 CB LYS A 521 -3.133 -13.838 2.501 1.00 0.00 C ATOM 1335 CG LYS A 521 -2.687 -14.634 1.262 1.00 0.00 C ATOM 1336 CD LYS A 521 -3.439 -14.192 -0.006 1.00 0.00 C ATOM 1337 CE LYS A 521 -4.872 -14.751 -0.017 1.00 0.00 C ATOM 1338 NZ LYS A 521 -5.823 -13.843 -0.705 1.00 0.00 N ATOM 0 H LYS A 521 -1.311 -13.172 4.164 1.00 0.00 H new ATOM 0 HA LYS A 521 -2.219 -12.121 1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 521 -2.894 -14.404 3.401 1.00 0.00 H new ATOM 0 HB3 LYS A 521 -4.216 -13.713 2.481 1.00 0.00 H new ATOM 0 HG2 LYS A 521 -1.615 -14.503 1.113 1.00 0.00 H new ATOM 0 HG3 LYS A 521 -2.857 -15.697 1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 521 -3.469 -13.104 -0.055 1.00 0.00 H new ATOM 0 HD3 LYS A 521 -2.903 -14.537 -0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 521 -4.877 -15.722 -0.512 1.00 0.00 H new ATOM 0 HE3 LYS A 521 -5.205 -14.913 1.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 521 -6.638 -14.390 -1.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 521 -6.151 -13.115 -0.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 521 -5.347 -13.387 -1.510 1.00 0.00 H new ATOM 1352 N ASP A 522 -3.896 -10.486 2.308 1.00 0.00 N ATOM 1353 CA ASP A 522 -4.935 -9.475 2.628 1.00 0.00 C ATOM 1354 C ASP A 522 -4.493 -8.497 3.743 1.00 0.00 C ATOM 1355 O ASP A 522 -5.291 -8.053 4.568 1.00 0.00 O ATOM 1356 CB ASP A 522 -6.287 -10.170 2.893 1.00 0.00 C ATOM 1357 CG ASP A 522 -6.831 -10.856 1.629 1.00 0.00 C ATOM 1358 OD1 ASP A 522 -6.452 -12.021 1.357 1.00 0.00 O ATOM 1359 OD2 ASP A 522 -7.640 -10.227 0.908 1.00 0.00 O ATOM 0 H ASP A 522 -3.582 -10.431 1.339 1.00 0.00 H new ATOM 0 HA ASP A 522 -5.075 -8.833 1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -6.167 -10.909 3.685 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -7.010 -9.436 3.249 1.00 0.00 H new ATOM 1364 N LYS A 523 -3.204 -8.132 3.749 1.00 0.00 N ATOM 1365 CA LYS A 523 -2.649 -7.063 4.585 1.00 0.00 C ATOM 1366 C LYS A 523 -3.395 -5.734 4.321 1.00 0.00 C ATOM 1367 O LYS A 523 -3.432 -5.309 3.156 1.00 0.00 O ATOM 1368 CB LYS A 523 -1.148 -6.910 4.259 1.00 0.00 C ATOM 1369 CG LYS A 523 -0.422 -5.845 5.102 1.00 0.00 C ATOM 1370 CD LYS A 523 -0.229 -6.232 6.577 1.00 0.00 C ATOM 1371 CE LYS A 523 0.545 -5.161 7.361 1.00 0.00 C ATOM 1372 NZ LYS A 523 -0.250 -3.926 7.598 1.00 0.00 N ATOM 0 H LYS A 523 -2.504 -8.582 3.159 1.00 0.00 H new ATOM 0 HA LYS A 523 -2.772 -7.317 5.638 1.00 0.00 H new ATOM 0 HB2 LYS A 523 -0.656 -7.871 4.407 1.00 0.00 H new ATOM 0 HB3 LYS A 523 -1.041 -6.657 3.204 1.00 0.00 H new ATOM 0 HG2 LYS A 523 0.554 -5.650 4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 523 -0.986 -4.913 5.053 1.00 0.00 H new ATOM 0 HD2 LYS A 523 -1.203 -6.386 7.041 1.00 0.00 H new ATOM 0 HD3 LYS A 523 0.306 -7.180 6.635 1.00 0.00 H new ATOM 0 HE2 LYS A 523 0.857 -5.575 8.320 1.00 0.00 H new ATOM 0 HE3 LYS A 523 1.452 -4.903 6.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 523 0.380 -3.099 7.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 523 -0.972 -3.830 6.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 523 -0.715 -3.985 8.527 1.00 0.00 H new ATOM 1386 N PRO A 524 -3.948 -5.051 5.346 1.00 0.00 N ATOM 1387 CA PRO A 524 -4.479 -3.702 5.210 1.00 0.00 C ATOM 1388 C PRO A 524 -3.319 -2.702 5.149 1.00 0.00 C ATOM 1389 O PRO A 524 -2.303 -2.881 5.820 1.00 0.00 O ATOM 1390 CB PRO A 524 -5.384 -3.450 6.426 1.00 0.00 C ATOM 1391 CG PRO A 524 -5.397 -4.779 7.189 1.00 0.00 C ATOM 1392 CD PRO A 524 -4.130 -5.488 6.720 1.00 0.00 C ATOM 0 HA PRO A 524 -5.057 -3.583 4.293 1.00 0.00 H new ATOM 0 HB2 PRO A 524 -4.996 -2.642 7.046 1.00 0.00 H new ATOM 0 HB3 PRO A 524 -6.389 -3.161 6.118 1.00 0.00 H new ATOM 0 HG2 PRO A 524 -5.389 -4.620 8.267 1.00 0.00 H new ATOM 0 HG3 PRO A 524 -6.289 -5.362 6.959 1.00 0.00 H new ATOM 0 HD2 PRO A 524 -3.274 -5.218 7.338 1.00 0.00 H new ATOM 0 HD3 PRO A 524 -4.237 -6.571 6.780 1.00 0.00 H new ATOM 1400 N VAL A 525 -3.477 -1.646 4.354 1.00 0.00 N ATOM 1401 CA VAL A 525 -2.448 -0.626 4.091 1.00 0.00 C ATOM 1402 C VAL A 525 -3.058 0.771 4.130 1.00 0.00 C ATOM 1403 O VAL A 525 -4.140 0.989 3.591 1.00 0.00 O ATOM 1404 CB VAL A 525 -1.718 -0.858 2.745 1.00 0.00 C ATOM 1405 CG1 VAL A 525 -0.693 -1.987 2.901 1.00 0.00 C ATOM 1406 CG2 VAL A 525 -2.641 -1.171 1.551 1.00 0.00 C ATOM 0 H VAL A 525 -4.349 -1.465 3.857 1.00 0.00 H new ATOM 0 HA VAL A 525 -1.702 -0.714 4.881 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.236 0.091 2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -0.181 -2.148 1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 525 0.035 -1.714 3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -1.203 -2.903 3.198 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -2.039 -1.318 0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -3.210 -2.077 1.759 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -3.328 -0.340 1.395 1.00 0.00 H new ATOM 1416 N GLN A 526 -2.378 1.705 4.794 1.00 0.00 N ATOM 1417 CA GLN A 526 -2.818 3.091 4.945 1.00 0.00 C ATOM 1418 C GLN A 526 -2.538 3.865 3.655 1.00 0.00 C ATOM 1419 O GLN A 526 -1.439 3.785 3.112 1.00 0.00 O ATOM 1420 CB GLN A 526 -2.095 3.734 6.139 1.00 0.00 C ATOM 1421 CG GLN A 526 -2.744 5.073 6.538 1.00 0.00 C ATOM 1422 CD GLN A 526 -2.058 5.763 7.720 1.00 0.00 C ATOM 1423 OE1 GLN A 526 -1.326 5.175 8.506 1.00 0.00 O ATOM 1424 NE2 GLN A 526 -2.261 7.055 7.889 1.00 0.00 N ATOM 0 H GLN A 526 -1.487 1.515 5.252 1.00 0.00 H new ATOM 0 HA GLN A 526 -3.891 3.118 5.135 1.00 0.00 H new ATOM 0 HB2 GLN A 526 -2.115 3.051 6.988 1.00 0.00 H new ATOM 0 HB3 GLN A 526 -1.047 3.897 5.886 1.00 0.00 H new ATOM 0 HG2 GLN A 526 -2.729 5.744 5.679 1.00 0.00 H new ATOM 0 HG3 GLN A 526 -3.790 4.899 6.788 1.00 0.00 H new ATOM 0 HE21 GLN A 526 -2.867 7.564 7.246 1.00 0.00 H new ATOM 0 HE22 GLN A 526 -1.812 7.545 8.663 1.00 0.00 H new ATOM 1433 N ILE A 527 -3.521 4.628 3.177 1.00 0.00 N ATOM 1434 CA ILE A 527 -3.480 5.373 1.912 1.00 0.00 C ATOM 1435 C ILE A 527 -3.558 6.871 2.226 1.00 0.00 C ATOM 1436 O ILE A 527 -4.423 7.306 2.989 1.00 0.00 O ATOM 1437 CB ILE A 527 -4.655 4.930 1.006 1.00 0.00 C ATOM 1438 CG1 ILE A 527 -4.772 3.399 0.828 1.00 0.00 C ATOM 1439 CG2 ILE A 527 -4.580 5.595 -0.378 1.00 0.00 C ATOM 1440 CD1 ILE A 527 -3.547 2.700 0.231 1.00 0.00 C ATOM 0 H ILE A 527 -4.402 4.751 3.676 1.00 0.00 H new ATOM 0 HA ILE A 527 -2.552 5.169 1.379 1.00 0.00 H new ATOM 0 HB ILE A 527 -5.550 5.262 1.532 1.00 0.00 H new ATOM 0 HG12 ILE A 527 -4.982 2.954 1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 527 -5.631 3.191 0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 527 -5.420 5.262 -0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 527 -4.622 6.678 -0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 527 -3.645 5.317 -0.865 1.00 0.00 H new ATOM 0 HD11 ILE A 527 -3.741 1.630 0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 527 -3.343 3.106 -0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 527 -2.684 2.865 0.875 1.00 0.00 H new ATOM 1452 N ARG A 528 -2.658 7.663 1.637 1.00 0.00 N ATOM 1453 CA ARG A 528 -2.520 9.104 1.890 1.00 0.00 C ATOM 1454 C ARG A 528 -2.303 9.853 0.562 1.00 0.00 C ATOM 1455 O ARG A 528 -1.153 10.002 0.135 1.00 0.00 O ATOM 1456 CB ARG A 528 -1.358 9.339 2.874 1.00 0.00 C ATOM 1457 CG ARG A 528 -1.673 8.965 4.332 1.00 0.00 C ATOM 1458 CD ARG A 528 -0.450 9.090 5.254 1.00 0.00 C ATOM 1459 NE ARG A 528 0.107 10.457 5.264 1.00 0.00 N ATOM 1460 CZ ARG A 528 1.368 10.821 5.044 1.00 0.00 C ATOM 1461 NH1 ARG A 528 2.326 9.954 4.782 1.00 0.00 N ATOM 1462 NH2 ARG A 528 1.688 12.096 5.084 1.00 0.00 N ATOM 0 H ARG A 528 -1.987 7.313 0.953 1.00 0.00 H new ATOM 0 HA ARG A 528 -3.433 9.493 2.341 1.00 0.00 H new ATOM 0 HB2 ARG A 528 -0.495 8.762 2.542 1.00 0.00 H new ATOM 0 HB3 ARG A 528 -1.072 10.390 2.835 1.00 0.00 H new ATOM 0 HG2 ARG A 528 -2.470 9.609 4.704 1.00 0.00 H new ATOM 0 HG3 ARG A 528 -2.047 7.942 4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 528 -0.732 8.808 6.268 1.00 0.00 H new ATOM 0 HD3 ARG A 528 0.319 8.389 4.930 1.00 0.00 H new ATOM 0 HE ARG A 528 -0.551 11.210 5.463 1.00 0.00 H new ATOM 0 HH11 ARG A 528 2.114 8.957 4.741 1.00 0.00 H new ATOM 0 HH12 ARG A 528 3.279 10.280 4.620 1.00 0.00 H new ATOM 0 HH21 ARG A 528 0.973 12.795 5.282 1.00 0.00 H new ATOM 0 HH22 ARG A 528 2.652 12.385 4.917 1.00 0.00 H new ATOM 1476 N PRO A 529 -3.384 10.307 -0.111 1.00 0.00 N ATOM 1477 CA PRO A 529 -3.301 11.152 -1.299 1.00 0.00 C ATOM 1478 C PRO A 529 -2.522 12.436 -1.002 1.00 0.00 C ATOM 1479 O PRO A 529 -2.749 13.080 0.024 1.00 0.00 O ATOM 1480 CB PRO A 529 -4.750 11.442 -1.709 1.00 0.00 C ATOM 1481 CG PRO A 529 -5.525 10.259 -1.131 1.00 0.00 C ATOM 1482 CD PRO A 529 -4.777 9.986 0.172 1.00 0.00 C ATOM 0 HA PRO A 529 -2.762 10.661 -2.109 1.00 0.00 H new ATOM 0 HB2 PRO A 529 -5.101 12.390 -1.301 1.00 0.00 H new ATOM 0 HB3 PRO A 529 -4.857 11.502 -2.792 1.00 0.00 H new ATOM 0 HG2 PRO A 529 -6.572 10.506 -0.955 1.00 0.00 H new ATOM 0 HG3 PRO A 529 -5.508 9.397 -1.798 1.00 0.00 H new ATOM 0 HD2 PRO A 529 -5.165 10.600 0.985 1.00 0.00 H new ATOM 0 HD3 PRO A 529 -4.887 8.946 0.478 1.00 0.00 H new ATOM 1490 N TRP A 530 -1.582 12.796 -1.880 1.00 0.00 N ATOM 1491 CA TRP A 530 -0.669 13.917 -1.654 1.00 0.00 C ATOM 1492 C TRP A 530 -1.363 15.280 -1.812 1.00 0.00 C ATOM 1493 O TRP A 530 -2.110 15.518 -2.765 1.00 0.00 O ATOM 1494 CB TRP A 530 0.536 13.777 -2.588 1.00 0.00 C ATOM 1495 CG TRP A 530 1.624 14.785 -2.391 1.00 0.00 C ATOM 1496 CD1 TRP A 530 1.742 15.953 -3.060 1.00 0.00 C ATOM 1497 CD2 TRP A 530 2.770 14.727 -1.485 1.00 0.00 C ATOM 1498 NE1 TRP A 530 2.873 16.622 -2.635 1.00 0.00 N ATOM 1499 CE2 TRP A 530 3.552 15.907 -1.671 1.00 0.00 C ATOM 1500 CE3 TRP A 530 3.238 13.789 -0.540 1.00 0.00 C ATOM 1501 CZ2 TRP A 530 4.740 16.139 -0.963 1.00 0.00 C ATOM 1502 CZ3 TRP A 530 4.428 14.013 0.180 1.00 0.00 C ATOM 1503 CH2 TRP A 530 5.179 15.184 -0.030 1.00 0.00 C ATOM 0 H TRP A 530 -1.433 12.317 -2.768 1.00 0.00 H new ATOM 0 HA TRP A 530 -0.325 13.883 -0.620 1.00 0.00 H new ATOM 0 HB2 TRP A 530 0.960 12.781 -2.459 1.00 0.00 H new ATOM 0 HB3 TRP A 530 0.185 13.843 -3.618 1.00 0.00 H new ATOM 0 HD1 TRP A 530 1.055 16.310 -3.813 1.00 0.00 H new ATOM 0 HE1 TRP A 530 3.169 17.531 -2.990 1.00 0.00 H new ATOM 0 HE3 TRP A 530 2.674 12.884 -0.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 530 5.310 17.040 -1.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 530 4.766 13.281 0.898 1.00 0.00 H new ATOM 0 HH2 TRP A 530 6.091 15.349 0.525 1.00 0.00 H new