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 517 SER OG : rot 180:sc= 0.522 USER MOD Set 1.2: A 519 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 512 TYR OH : rot 150:sc= 0.293 USER MOD Set 2.2: A 526 GLN : amide:sc= 0.318 X(o=0.61,f=0.6) USER MOD Single : A 442 LYS NZ :NH3+ -147:sc= 0.271 (180deg=0.0773) USER MOD Single : A 458 THR OG1 : rot 65:sc= 1.19 USER MOD Single : A 460 SER OG : rot 66:sc= 1.25 USER MOD Single : A 486 TYR OH : rot 180:sc= 0 USER MOD Single : A 492 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot -74:sc= 0.245 USER MOD Single : A 498 GLN : amide:sc= 0.42 X(o=0.42,f=-0.023) USER MOD Single : A 504 CYS SG : rot 73:sc= 0.589 USER MOD Single : A 514 CYS SG : rot 180:sc= 0 USER MOD Single : A 516 SER OG : rot 180:sc= 0 USER MOD Single : A 521 LYS NZ :NH3+ -176:sc= 1.13 (180deg=1.12) USER MOD Single : A 523 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 441 -1.666 13.616 -8.039 1.00 0.00 N ATOM 80 CA ARG A 441 -1.488 12.277 -8.630 1.00 0.00 C ATOM 81 C ARG A 441 -0.522 11.384 -7.829 1.00 0.00 C ATOM 82 O ARG A 441 -0.496 10.168 -8.022 1.00 0.00 O ATOM 83 CB ARG A 441 -1.010 12.394 -10.086 1.00 0.00 C ATOM 84 CG ARG A 441 -2.079 13.043 -10.983 1.00 0.00 C ATOM 85 CD ARG A 441 -1.724 13.027 -12.476 1.00 0.00 C ATOM 86 NE ARG A 441 -0.544 13.862 -12.767 1.00 0.00 N ATOM 87 CZ ARG A 441 0.103 13.952 -13.923 1.00 0.00 C ATOM 88 NH1 ARG A 441 -0.241 13.262 -14.992 1.00 0.00 N ATOM 89 NH2 ARG A 441 1.132 14.766 -14.025 1.00 0.00 N ATOM 0 HA ARG A 441 -2.465 11.794 -8.598 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -0.095 12.986 -10.123 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -0.765 11.404 -10.470 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.026 12.524 -10.838 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -2.230 14.075 -10.665 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -1.531 12.002 -12.793 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.575 13.385 -13.056 1.00 0.00 H new ATOM 0 HE ARG A 441 -0.187 14.431 -11.999 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -1.036 12.624 -14.953 1.00 0.00 H new ATOM 0 HH12 ARG A 441 0.288 13.366 -15.858 1.00 0.00 H new ATOM 0 HH21 ARG A 441 1.426 15.320 -13.221 1.00 0.00 H new ATOM 0 HH22 ARG A 441 1.636 14.843 -14.908 1.00 0.00 H new ATOM 103 N LYS A 442 0.269 11.972 -6.925 1.00 0.00 N ATOM 104 CA LYS A 442 1.083 11.260 -5.935 1.00 0.00 C ATOM 105 C LYS A 442 0.208 10.774 -4.758 1.00 0.00 C ATOM 106 O LYS A 442 -0.612 11.536 -4.249 1.00 0.00 O ATOM 107 CB LYS A 442 2.225 12.199 -5.494 1.00 0.00 C ATOM 108 CG LYS A 442 3.161 11.591 -4.433 1.00 0.00 C ATOM 109 CD LYS A 442 4.317 12.550 -4.114 1.00 0.00 C ATOM 110 CE LYS A 442 5.162 12.002 -2.955 1.00 0.00 C ATOM 111 NZ LYS A 442 6.254 12.935 -2.569 1.00 0.00 N ATOM 0 H LYS A 442 0.363 12.986 -6.860 1.00 0.00 H new ATOM 0 HA LYS A 442 1.523 10.360 -6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 442 2.814 12.474 -6.369 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.793 13.119 -5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 442 2.598 11.377 -3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 442 3.558 10.642 -4.793 1.00 0.00 H new ATOM 0 HD2 LYS A 442 4.942 12.683 -4.997 1.00 0.00 H new ATOM 0 HD3 LYS A 442 3.922 13.532 -3.852 1.00 0.00 H new ATOM 0 HE2 LYS A 442 4.520 11.820 -2.093 1.00 0.00 H new ATOM 0 HE3 LYS A 442 5.591 11.042 -3.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 7.078 12.390 -2.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 6.522 13.514 -3.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 5.926 13.555 -1.801 1.00 0.00 H new ATOM 125 N VAL A 443 0.388 9.532 -4.302 1.00 0.00 N ATOM 126 CA VAL A 443 -0.368 8.940 -3.177 1.00 0.00 C ATOM 127 C VAL A 443 0.556 8.087 -2.302 1.00 0.00 C ATOM 128 O VAL A 443 1.156 7.132 -2.786 1.00 0.00 O ATOM 129 CB VAL A 443 -1.562 8.082 -3.672 1.00 0.00 C ATOM 130 CG1 VAL A 443 -2.378 7.529 -2.492 1.00 0.00 C ATOM 131 CG2 VAL A 443 -2.514 8.855 -4.599 1.00 0.00 C ATOM 0 H VAL A 443 1.073 8.893 -4.706 1.00 0.00 H new ATOM 0 HA VAL A 443 -0.768 9.764 -2.586 1.00 0.00 H new ATOM 0 HB VAL A 443 -1.116 7.265 -4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -3.208 6.932 -2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -1.738 6.906 -1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -2.768 8.357 -1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -3.328 8.201 -4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -2.922 9.714 -4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.967 9.199 -5.477 1.00 0.00 H new ATOM 141 N PHE A 444 0.655 8.420 -1.013 1.00 0.00 N ATOM 142 CA PHE A 444 1.360 7.623 -0.005 1.00 0.00 C ATOM 143 C PHE A 444 0.632 6.297 0.271 1.00 0.00 C ATOM 144 O PHE A 444 -0.594 6.285 0.399 1.00 0.00 O ATOM 145 CB PHE A 444 1.433 8.433 1.298 1.00 0.00 C ATOM 146 CG PHE A 444 2.000 7.663 2.478 1.00 0.00 C ATOM 147 CD1 PHE A 444 3.389 7.466 2.591 1.00 0.00 C ATOM 148 CD2 PHE A 444 1.135 7.097 3.439 1.00 0.00 C ATOM 149 CE1 PHE A 444 3.912 6.720 3.661 1.00 0.00 C ATOM 150 CE2 PHE A 444 1.660 6.346 4.504 1.00 0.00 C ATOM 151 CZ PHE A 444 3.048 6.157 4.617 1.00 0.00 C ATOM 0 H PHE A 444 0.238 9.270 -0.632 1.00 0.00 H new ATOM 0 HA PHE A 444 2.358 7.393 -0.379 1.00 0.00 H new ATOM 0 HB2 PHE A 444 2.045 9.319 1.128 1.00 0.00 H new ATOM 0 HB3 PHE A 444 0.432 8.781 1.553 1.00 0.00 H new ATOM 0 HD1 PHE A 444 4.055 7.889 1.853 1.00 0.00 H new ATOM 0 HD2 PHE A 444 0.068 7.241 3.356 1.00 0.00 H new ATOM 0 HE1 PHE A 444 4.979 6.579 3.749 1.00 0.00 H new ATOM 0 HE2 PHE A 444 0.996 5.913 5.237 1.00 0.00 H new ATOM 0 HZ PHE A 444 3.450 5.580 5.437 1.00 0.00 H new ATOM 161 N VAL A 445 1.393 5.212 0.442 1.00 0.00 N ATOM 162 CA VAL A 445 0.906 3.902 0.900 1.00 0.00 C ATOM 163 C VAL A 445 1.836 3.366 1.987 1.00 0.00 C ATOM 164 O VAL A 445 3.033 3.218 1.750 1.00 0.00 O ATOM 165 CB VAL A 445 0.812 2.882 -0.252 1.00 0.00 C ATOM 166 CG1 VAL A 445 0.258 1.528 0.223 1.00 0.00 C ATOM 167 CG2 VAL A 445 -0.074 3.405 -1.383 1.00 0.00 C ATOM 0 H VAL A 445 2.397 5.219 0.261 1.00 0.00 H new ATOM 0 HA VAL A 445 -0.099 4.041 1.297 1.00 0.00 H new ATOM 0 HB VAL A 445 1.829 2.739 -0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 445 0.208 0.839 -0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 445 0.913 1.116 0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.741 1.668 0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -0.121 2.664 -2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.078 3.592 -1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 445 0.344 4.333 -1.774 1.00 0.00 H new ATOM 177 N GLY A 446 1.282 3.068 3.165 1.00 0.00 N ATOM 178 CA GLY A 446 1.994 2.515 4.327 1.00 0.00 C ATOM 179 C GLY A 446 1.420 1.180 4.806 1.00 0.00 C ATOM 180 O GLY A 446 0.218 0.941 4.696 1.00 0.00 O ATOM 0 H GLY A 446 0.288 3.209 3.346 1.00 0.00 H new ATOM 0 HA2 GLY A 446 3.045 2.380 4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 446 1.955 3.234 5.145 1.00 0.00 H new ATOM 184 N GLY A 447 2.273 0.317 5.368 1.00 0.00 N ATOM 185 CA GLY A 447 1.910 -1.015 5.882 1.00 0.00 C ATOM 186 C GLY A 447 2.117 -2.157 4.881 1.00 0.00 C ATOM 187 O GLY A 447 1.601 -3.254 5.099 1.00 0.00 O ATOM 0 H GLY A 447 3.264 0.529 5.483 1.00 0.00 H new ATOM 0 HA2 GLY A 447 2.500 -1.220 6.775 1.00 0.00 H new ATOM 0 HA3 GLY A 447 0.864 -1.001 6.187 1.00 0.00 H new ATOM 191 N LEU A 448 2.849 -1.916 3.787 1.00 0.00 N ATOM 192 CA LEU A 448 3.163 -2.906 2.747 1.00 0.00 C ATOM 193 C LEU A 448 3.921 -4.117 3.344 1.00 0.00 C ATOM 194 O LEU A 448 4.776 -3.911 4.215 1.00 0.00 O ATOM 195 CB LEU A 448 4.005 -2.231 1.643 1.00 0.00 C ATOM 196 CG LEU A 448 3.255 -1.170 0.810 1.00 0.00 C ATOM 197 CD1 LEU A 448 4.250 -0.375 -0.043 1.00 0.00 C ATOM 198 CD2 LEU A 448 2.210 -1.814 -0.115 1.00 0.00 C ATOM 0 H LEU A 448 3.252 -0.999 3.594 1.00 0.00 H new ATOM 0 HA LEU A 448 2.232 -3.278 2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 448 4.874 -1.762 2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 448 4.380 -3.002 0.970 1.00 0.00 H new ATOM 0 HG LEU A 448 2.742 -0.508 1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 448 3.713 0.372 -0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 448 4.970 0.122 0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 448 4.776 -1.053 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 448 1.702 -1.037 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 448 2.705 -2.502 -0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 448 1.481 -2.360 0.484 1.00 0.00 H new ATOM 210 N PRO A 449 3.644 -5.361 2.889 1.00 0.00 N ATOM 211 CA PRO A 449 4.363 -6.565 3.314 1.00 0.00 C ATOM 212 C PRO A 449 5.893 -6.461 3.152 1.00 0.00 C ATOM 213 O PRO A 449 6.361 -5.749 2.262 1.00 0.00 O ATOM 214 CB PRO A 449 3.809 -7.697 2.443 1.00 0.00 C ATOM 215 CG PRO A 449 2.384 -7.243 2.138 1.00 0.00 C ATOM 216 CD PRO A 449 2.552 -5.733 1.992 1.00 0.00 C ATOM 0 HA PRO A 449 4.208 -6.731 4.380 1.00 0.00 H new ATOM 0 HB2 PRO A 449 4.393 -7.826 1.532 1.00 0.00 H new ATOM 0 HB3 PRO A 449 3.823 -8.652 2.968 1.00 0.00 H new ATOM 0 HG2 PRO A 449 1.997 -7.700 1.227 1.00 0.00 H new ATOM 0 HG3 PRO A 449 1.694 -7.500 2.941 1.00 0.00 H new ATOM 0 HD2 PRO A 449 2.785 -5.464 0.962 1.00 0.00 H new ATOM 0 HD3 PRO A 449 1.633 -5.211 2.258 1.00 0.00 H new ATOM 224 N PRO A 450 6.686 -7.202 3.954 1.00 0.00 N ATOM 225 CA PRO A 450 8.148 -7.221 3.869 1.00 0.00 C ATOM 226 C PRO A 450 8.682 -8.080 2.703 1.00 0.00 C ATOM 227 O PRO A 450 9.893 -8.268 2.591 1.00 0.00 O ATOM 228 CB PRO A 450 8.599 -7.760 5.233 1.00 0.00 C ATOM 229 CG PRO A 450 7.493 -8.755 5.581 1.00 0.00 C ATOM 230 CD PRO A 450 6.241 -8.067 5.038 1.00 0.00 C ATOM 0 HA PRO A 450 8.545 -6.229 3.657 1.00 0.00 H new ATOM 0 HB2 PRO A 450 9.575 -8.242 5.176 1.00 0.00 H new ATOM 0 HB3 PRO A 450 8.679 -6.967 5.976 1.00 0.00 H new ATOM 0 HG2 PRO A 450 7.658 -9.725 5.112 1.00 0.00 H new ATOM 0 HG3 PRO A 450 7.427 -8.928 6.655 1.00 0.00 H new ATOM 0 HD2 PRO A 450 5.519 -8.801 4.678 1.00 0.00 H new ATOM 0 HD3 PRO A 450 5.746 -7.489 5.818 1.00 0.00 H new ATOM 238 N ASP A 451 7.804 -8.603 1.834 1.00 0.00 N ATOM 239 CA ASP A 451 8.135 -9.529 0.737 1.00 0.00 C ATOM 240 C ASP A 451 7.333 -9.213 -0.546 1.00 0.00 C ATOM 241 O ASP A 451 7.040 -10.092 -1.357 1.00 0.00 O ATOM 242 CB ASP A 451 7.960 -10.978 1.233 1.00 0.00 C ATOM 243 CG ASP A 451 8.635 -12.019 0.318 1.00 0.00 C ATOM 244 OD1 ASP A 451 9.808 -11.811 -0.079 1.00 0.00 O ATOM 245 OD2 ASP A 451 8.016 -13.075 0.044 1.00 0.00 O ATOM 0 H ASP A 451 6.808 -8.386 1.876 1.00 0.00 H new ATOM 0 HA ASP A 451 9.178 -9.399 0.449 1.00 0.00 H new ATOM 0 HB2 ASP A 451 8.374 -11.064 2.238 1.00 0.00 H new ATOM 0 HB3 ASP A 451 6.896 -11.204 1.307 1.00 0.00 H new ATOM 250 N ILE A 452 6.964 -7.938 -0.723 1.00 0.00 N ATOM 251 CA ILE A 452 6.342 -7.394 -1.941 1.00 0.00 C ATOM 252 C ILE A 452 7.348 -6.510 -2.698 1.00 0.00 C ATOM 253 O ILE A 452 8.222 -5.896 -2.085 1.00 0.00 O ATOM 254 CB ILE A 452 5.034 -6.648 -1.575 1.00 0.00 C ATOM 255 CG1 ILE A 452 4.118 -6.530 -2.808 1.00 0.00 C ATOM 256 CG2 ILE A 452 5.302 -5.259 -0.967 1.00 0.00 C ATOM 257 CD1 ILE A 452 2.728 -5.973 -2.493 1.00 0.00 C ATOM 0 H ILE A 452 7.094 -7.231 0.001 1.00 0.00 H new ATOM 0 HA ILE A 452 6.067 -8.205 -2.616 1.00 0.00 H new ATOM 0 HB ILE A 452 4.530 -7.240 -0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 452 4.598 -5.887 -3.546 1.00 0.00 H new ATOM 0 HG13 ILE A 452 4.010 -7.514 -3.265 1.00 0.00 H new ATOM 0 HG21 ILE A 452 4.354 -4.777 -0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 452 5.893 -5.368 -0.058 1.00 0.00 H new ATOM 0 HG23 ILE A 452 5.849 -4.647 -1.684 1.00 0.00 H new ATOM 0 HD11 ILE A 452 2.141 -5.919 -3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 452 2.227 -6.627 -1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 452 2.824 -4.975 -2.065 1.00 0.00 H new ATOM 269 N ASP A 453 7.230 -6.435 -4.023 1.00 0.00 N ATOM 270 CA ASP A 453 8.143 -5.696 -4.906 1.00 0.00 C ATOM 271 C ASP A 453 7.413 -4.672 -5.792 1.00 0.00 C ATOM 272 O ASP A 453 6.184 -4.657 -5.863 1.00 0.00 O ATOM 273 CB ASP A 453 8.962 -6.691 -5.745 1.00 0.00 C ATOM 274 CG ASP A 453 8.125 -7.404 -6.817 1.00 0.00 C ATOM 275 OD1 ASP A 453 7.908 -6.802 -7.895 1.00 0.00 O ATOM 276 OD2 ASP A 453 7.706 -8.560 -6.576 1.00 0.00 O ATOM 0 H ASP A 453 6.476 -6.899 -4.530 1.00 0.00 H new ATOM 0 HA ASP A 453 8.820 -5.114 -4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 453 9.784 -6.161 -6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.406 -7.435 -5.084 1.00 0.00 H new ATOM 281 N GLU A 454 8.188 -3.823 -6.474 1.00 0.00 N ATOM 282 CA GLU A 454 7.731 -2.717 -7.324 1.00 0.00 C ATOM 283 C GLU A 454 6.565 -3.090 -8.262 1.00 0.00 C ATOM 284 O GLU A 454 5.581 -2.354 -8.353 1.00 0.00 O ATOM 285 CB GLU A 454 8.922 -2.225 -8.161 1.00 0.00 C ATOM 286 CG GLU A 454 8.603 -0.951 -8.952 1.00 0.00 C ATOM 287 CD GLU A 454 9.821 -0.507 -9.768 1.00 0.00 C ATOM 288 OE1 GLU A 454 10.675 0.215 -9.205 1.00 0.00 O ATOM 289 OE2 GLU A 454 9.927 -0.867 -10.963 1.00 0.00 O ATOM 0 H GLU A 454 9.205 -3.892 -6.447 1.00 0.00 H new ATOM 0 HA GLU A 454 7.350 -1.939 -6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 454 9.770 -2.036 -7.503 1.00 0.00 H new ATOM 0 HB3 GLU A 454 9.224 -3.011 -8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 454 7.758 -1.131 -9.617 1.00 0.00 H new ATOM 0 HG3 GLU A 454 8.307 -0.156 -8.268 1.00 0.00 H new ATOM 296 N ASP A 455 6.651 -4.234 -8.949 1.00 0.00 N ATOM 297 CA ASP A 455 5.670 -4.653 -9.957 1.00 0.00 C ATOM 298 C ASP A 455 4.398 -5.241 -9.324 1.00 0.00 C ATOM 299 O ASP A 455 3.316 -5.128 -9.898 1.00 0.00 O ATOM 300 CB ASP A 455 6.327 -5.659 -10.911 1.00 0.00 C ATOM 301 CG ASP A 455 5.446 -5.966 -12.134 1.00 0.00 C ATOM 302 OD1 ASP A 455 5.237 -5.054 -12.969 1.00 0.00 O ATOM 303 OD2 ASP A 455 5.001 -7.131 -12.279 1.00 0.00 O ATOM 0 H ASP A 455 7.411 -4.902 -8.820 1.00 0.00 H new ATOM 0 HA ASP A 455 5.354 -3.772 -10.515 1.00 0.00 H new ATOM 0 HB2 ASP A 455 7.286 -5.265 -11.247 1.00 0.00 H new ATOM 0 HB3 ASP A 455 6.534 -6.584 -10.373 1.00 0.00 H new ATOM 308 N GLU A 456 4.511 -5.794 -8.114 1.00 0.00 N ATOM 309 CA GLU A 456 3.366 -6.227 -7.308 1.00 0.00 C ATOM 310 C GLU A 456 2.663 -5.036 -6.647 1.00 0.00 C ATOM 311 O GLU A 456 1.434 -5.019 -6.591 1.00 0.00 O ATOM 312 CB GLU A 456 3.799 -7.225 -6.229 1.00 0.00 C ATOM 313 CG GLU A 456 4.226 -8.590 -6.767 1.00 0.00 C ATOM 314 CD GLU A 456 3.054 -9.381 -7.373 1.00 0.00 C ATOM 315 OE1 GLU A 456 2.232 -9.932 -6.603 1.00 0.00 O ATOM 316 OE2 GLU A 456 2.960 -9.483 -8.618 1.00 0.00 O ATOM 0 H GLU A 456 5.410 -5.956 -7.661 1.00 0.00 H new ATOM 0 HA GLU A 456 2.665 -6.715 -7.986 1.00 0.00 H new ATOM 0 HB2 GLU A 456 4.627 -6.795 -5.665 1.00 0.00 H new ATOM 0 HB3 GLU A 456 2.975 -7.365 -5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 456 4.997 -8.452 -7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 456 4.673 -9.171 -5.960 1.00 0.00 H new ATOM 323 N ILE A 457 3.395 -4.005 -6.205 1.00 0.00 N ATOM 324 CA ILE A 457 2.791 -2.743 -5.735 1.00 0.00 C ATOM 325 C ILE A 457 2.085 -2.044 -6.905 1.00 0.00 C ATOM 326 O ILE A 457 0.976 -1.539 -6.731 1.00 0.00 O ATOM 327 CB ILE A 457 3.832 -1.816 -5.057 1.00 0.00 C ATOM 328 CG1 ILE A 457 4.516 -2.489 -3.844 1.00 0.00 C ATOM 329 CG2 ILE A 457 3.146 -0.517 -4.579 1.00 0.00 C ATOM 330 CD1 ILE A 457 5.832 -1.805 -3.454 1.00 0.00 C ATOM 0 H ILE A 457 4.414 -4.017 -6.162 1.00 0.00 H new ATOM 0 HA ILE A 457 2.052 -2.979 -4.969 1.00 0.00 H new ATOM 0 HB ILE A 457 4.597 -1.598 -5.802 1.00 0.00 H new ATOM 0 HG12 ILE A 457 3.836 -2.472 -2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 457 4.710 -3.536 -4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 457 3.883 0.130 -4.103 1.00 0.00 H new ATOM 0 HG22 ILE A 457 2.708 -0.001 -5.433 1.00 0.00 H new ATOM 0 HG23 ILE A 457 2.362 -0.762 -3.862 1.00 0.00 H new ATOM 0 HD11 ILE A 457 6.269 -2.318 -2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 457 6.526 -1.845 -4.294 1.00 0.00 H new ATOM 0 HD13 ILE A 457 5.638 -0.765 -3.193 1.00 0.00 H new ATOM 342 N THR A 458 2.671 -2.085 -8.110 1.00 0.00 N ATOM 343 CA THR A 458 2.038 -1.572 -9.336 1.00 0.00 C ATOM 344 C THR A 458 0.769 -2.349 -9.644 1.00 0.00 C ATOM 345 O THR A 458 -0.281 -1.733 -9.774 1.00 0.00 O ATOM 346 CB THR A 458 3.016 -1.584 -10.521 1.00 0.00 C ATOM 347 OG1 THR A 458 4.176 -0.854 -10.190 1.00 0.00 O ATOM 348 CG2 THR A 458 2.418 -0.925 -11.764 1.00 0.00 C ATOM 0 H THR A 458 3.600 -2.476 -8.264 1.00 0.00 H new ATOM 0 HA THR A 458 1.761 -0.532 -9.167 1.00 0.00 H new ATOM 0 HB THR A 458 3.240 -2.630 -10.732 1.00 0.00 H new ATOM 0 HG1 THR A 458 4.645 -1.301 -9.455 1.00 0.00 H new ATOM 0 HG21 THR A 458 3.144 -0.956 -12.577 1.00 0.00 H new ATOM 0 HG22 THR A 458 1.517 -1.461 -12.062 1.00 0.00 H new ATOM 0 HG23 THR A 458 2.167 0.112 -11.541 1.00 0.00 H new ATOM 356 N ALA A 459 0.813 -3.683 -9.695 1.00 0.00 N ATOM 357 CA ALA A 459 -0.373 -4.510 -9.933 1.00 0.00 C ATOM 358 C ALA A 459 -1.451 -4.345 -8.842 1.00 0.00 C ATOM 359 O ALA A 459 -2.644 -4.407 -9.138 1.00 0.00 O ATOM 360 CB ALA A 459 0.072 -5.971 -10.066 1.00 0.00 C ATOM 0 H ALA A 459 1.672 -4.220 -9.573 1.00 0.00 H new ATOM 0 HA ALA A 459 -0.846 -4.178 -10.857 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -0.799 -6.602 -10.244 1.00 0.00 H new ATOM 0 HB2 ALA A 459 0.765 -6.066 -10.902 1.00 0.00 H new ATOM 0 HB3 ALA A 459 0.567 -6.286 -9.147 1.00 0.00 H new ATOM 366 N SER A 460 -1.049 -4.064 -7.600 1.00 0.00 N ATOM 367 CA SER A 460 -1.954 -3.791 -6.475 1.00 0.00 C ATOM 368 C SER A 460 -2.739 -2.475 -6.600 1.00 0.00 C ATOM 369 O SER A 460 -3.735 -2.308 -5.893 1.00 0.00 O ATOM 370 CB SER A 460 -1.187 -3.784 -5.144 1.00 0.00 C ATOM 371 OG SER A 460 -0.637 -5.055 -4.844 1.00 0.00 O ATOM 0 H SER A 460 -0.064 -4.018 -7.340 1.00 0.00 H new ATOM 0 HA SER A 460 -2.681 -4.603 -6.498 1.00 0.00 H new ATOM 0 HB2 SER A 460 -0.388 -3.044 -5.190 1.00 0.00 H new ATOM 0 HB3 SER A 460 -1.858 -3.480 -4.340 1.00 0.00 H new ATOM 0 HG SER A 460 0.057 -5.274 -5.500 1.00 0.00 H new ATOM 377 N PHE A 461 -2.355 -1.561 -7.504 1.00 0.00 N ATOM 378 CA PHE A 461 -3.080 -0.305 -7.747 1.00 0.00 C ATOM 379 C PHE A 461 -3.381 -0.044 -9.237 1.00 0.00 C ATOM 380 O PHE A 461 -4.121 0.887 -9.556 1.00 0.00 O ATOM 381 CB PHE A 461 -2.331 0.843 -7.056 1.00 0.00 C ATOM 382 CG PHE A 461 -2.403 0.796 -5.536 1.00 0.00 C ATOM 383 CD1 PHE A 461 -1.442 0.075 -4.801 1.00 0.00 C ATOM 384 CD2 PHE A 461 -3.417 1.490 -4.847 1.00 0.00 C ATOM 385 CE1 PHE A 461 -1.497 0.032 -3.396 1.00 0.00 C ATOM 386 CE2 PHE A 461 -3.457 1.473 -3.440 1.00 0.00 C ATOM 387 CZ PHE A 461 -2.506 0.734 -2.715 1.00 0.00 C ATOM 0 H PHE A 461 -1.528 -1.673 -8.090 1.00 0.00 H new ATOM 0 HA PHE A 461 -4.073 -0.384 -7.304 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -1.285 0.818 -7.362 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -2.742 1.792 -7.401 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -0.655 -0.450 -5.321 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -4.166 2.037 -5.400 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -0.766 -0.539 -2.842 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.220 2.029 -2.916 1.00 0.00 H new ATOM 0 HZ PHE A 461 -2.551 0.706 -1.636 1.00 0.00 H new ATOM 397 N ARG A 462 -2.926 -0.913 -10.150 1.00 0.00 N ATOM 398 CA ARG A 462 -3.237 -0.865 -11.589 1.00 0.00 C ATOM 399 C ARG A 462 -4.742 -0.988 -11.886 1.00 0.00 C ATOM 400 O ARG A 462 -5.203 -0.481 -12.912 1.00 0.00 O ATOM 401 CB ARG A 462 -2.412 -1.942 -12.325 1.00 0.00 C ATOM 402 CG ARG A 462 -2.570 -1.957 -13.856 1.00 0.00 C ATOM 403 CD ARG A 462 -2.161 -0.622 -14.494 1.00 0.00 C ATOM 404 NE ARG A 462 -2.464 -0.578 -15.934 1.00 0.00 N ATOM 405 CZ ARG A 462 -3.642 -0.314 -16.491 1.00 0.00 C ATOM 406 NH1 ARG A 462 -4.739 -0.128 -15.783 1.00 0.00 N ATOM 407 NH2 ARG A 462 -3.734 -0.232 -17.800 1.00 0.00 N ATOM 0 H ARG A 462 -2.314 -1.691 -9.903 1.00 0.00 H new ATOM 0 HA ARG A 462 -2.955 0.120 -11.962 1.00 0.00 H new ATOM 0 HB2 ARG A 462 -1.359 -1.796 -12.086 1.00 0.00 H new ATOM 0 HB3 ARG A 462 -2.694 -2.921 -11.937 1.00 0.00 H new ATOM 0 HG2 ARG A 462 -1.962 -2.759 -14.274 1.00 0.00 H new ATOM 0 HG3 ARG A 462 -3.607 -2.177 -14.110 1.00 0.00 H new ATOM 0 HD2 ARG A 462 -2.680 0.194 -13.990 1.00 0.00 H new ATOM 0 HD3 ARG A 462 -1.093 -0.462 -14.344 1.00 0.00 H new ATOM 0 HE ARG A 462 -1.690 -0.770 -16.570 1.00 0.00 H new ATOM 0 HH11 ARG A 462 -4.705 -0.185 -14.765 1.00 0.00 H new ATOM 0 HH12 ARG A 462 -5.622 0.072 -16.253 1.00 0.00 H new ATOM 0 HH21 ARG A 462 -2.906 -0.371 -18.379 1.00 0.00 H new ATOM 0 HH22 ARG A 462 -4.634 -0.030 -18.236 1.00 0.00 H new ATOM 421 N ARG A 463 -5.514 -1.566 -10.955 1.00 0.00 N ATOM 422 CA ARG A 463 -6.989 -1.607 -10.931 1.00 0.00 C ATOM 423 C ARG A 463 -7.684 -0.227 -10.968 1.00 0.00 C ATOM 424 O ARG A 463 -8.887 -0.165 -11.232 1.00 0.00 O ATOM 425 CB ARG A 463 -7.466 -2.452 -9.725 1.00 0.00 C ATOM 426 CG ARG A 463 -6.840 -2.056 -8.373 1.00 0.00 C ATOM 427 CD ARG A 463 -7.415 -2.868 -7.200 1.00 0.00 C ATOM 428 NE ARG A 463 -6.505 -2.832 -6.041 1.00 0.00 N ATOM 429 CZ ARG A 463 -6.649 -3.426 -4.863 1.00 0.00 C ATOM 430 NH1 ARG A 463 -7.753 -4.049 -4.508 1.00 0.00 N ATOM 431 NH2 ARG A 463 -5.639 -3.394 -4.025 1.00 0.00 N ATOM 0 H ARG A 463 -5.106 -2.045 -10.152 1.00 0.00 H new ATOM 0 HA ARG A 463 -7.294 -2.080 -11.864 1.00 0.00 H new ATOM 0 HB2 ARG A 463 -8.550 -2.369 -9.646 1.00 0.00 H new ATOM 0 HB3 ARG A 463 -7.240 -3.500 -9.921 1.00 0.00 H new ATOM 0 HG2 ARG A 463 -5.761 -2.203 -8.418 1.00 0.00 H new ATOM 0 HG3 ARG A 463 -7.010 -0.994 -8.194 1.00 0.00 H new ATOM 0 HD2 ARG A 463 -8.388 -2.466 -6.916 1.00 0.00 H new ATOM 0 HD3 ARG A 463 -7.575 -3.901 -7.511 1.00 0.00 H new ATOM 0 HE ARG A 463 -5.656 -2.280 -6.160 1.00 0.00 H new ATOM 0 HH11 ARG A 463 -8.545 -4.090 -5.150 1.00 0.00 H new ATOM 0 HH12 ARG A 463 -7.817 -4.491 -3.591 1.00 0.00 H new ATOM 0 HH21 ARG A 463 -4.774 -2.921 -4.287 1.00 0.00 H new ATOM 0 HH22 ARG A 463 -5.719 -3.842 -3.112 1.00 0.00 H new ATOM 445 N PHE A 464 -6.945 0.872 -10.762 1.00 0.00 N ATOM 446 CA PHE A 464 -7.440 2.257 -10.827 1.00 0.00 C ATOM 447 C PHE A 464 -7.002 3.020 -12.093 1.00 0.00 C ATOM 448 O PHE A 464 -7.439 4.151 -12.302 1.00 0.00 O ATOM 449 CB PHE A 464 -6.973 2.978 -9.554 1.00 0.00 C ATOM 450 CG PHE A 464 -7.457 2.309 -8.281 1.00 0.00 C ATOM 451 CD1 PHE A 464 -8.837 2.167 -8.052 1.00 0.00 C ATOM 452 CD2 PHE A 464 -6.540 1.748 -7.373 1.00 0.00 C ATOM 453 CE1 PHE A 464 -9.300 1.460 -6.931 1.00 0.00 C ATOM 454 CE2 PHE A 464 -7.003 1.029 -6.257 1.00 0.00 C ATOM 455 CZ PHE A 464 -8.384 0.887 -6.033 1.00 0.00 C ATOM 0 H PHE A 464 -5.951 0.821 -10.538 1.00 0.00 H new ATOM 0 HA PHE A 464 -8.528 2.229 -10.888 1.00 0.00 H new ATOM 0 HB2 PHE A 464 -5.884 3.018 -9.545 1.00 0.00 H new ATOM 0 HB3 PHE A 464 -7.330 4.008 -9.575 1.00 0.00 H new ATOM 0 HD1 PHE A 464 -9.544 2.604 -8.742 1.00 0.00 H new ATOM 0 HD2 PHE A 464 -5.479 1.870 -7.534 1.00 0.00 H new ATOM 0 HE1 PHE A 464 -10.361 1.357 -6.759 1.00 0.00 H new ATOM 0 HE2 PHE A 464 -6.297 0.585 -5.571 1.00 0.00 H new ATOM 0 HZ PHE A 464 -8.740 0.339 -5.173 1.00 0.00 H new ATOM 465 N GLY A 465 -6.158 2.414 -12.937 1.00 0.00 N ATOM 466 CA GLY A 465 -5.492 3.043 -14.086 1.00 0.00 C ATOM 467 C GLY A 465 -3.960 2.937 -14.002 1.00 0.00 C ATOM 468 O GLY A 465 -3.441 2.451 -12.993 1.00 0.00 O ATOM 0 H GLY A 465 -5.909 1.430 -12.834 1.00 0.00 H new ATOM 0 HA2 GLY A 465 -5.837 2.571 -15.006 1.00 0.00 H new ATOM 0 HA3 GLY A 465 -5.779 4.093 -14.139 1.00 0.00 H new ATOM 472 N PRO A 466 -3.229 3.343 -15.057 1.00 0.00 N ATOM 473 CA PRO A 466 -1.778 3.195 -15.144 1.00 0.00 C ATOM 474 C PRO A 466 -1.037 4.157 -14.204 1.00 0.00 C ATOM 475 O PRO A 466 -1.505 5.258 -13.907 1.00 0.00 O ATOM 476 CB PRO A 466 -1.436 3.428 -16.619 1.00 0.00 C ATOM 477 CG PRO A 466 -2.549 4.356 -17.100 1.00 0.00 C ATOM 478 CD PRO A 466 -3.760 3.887 -16.300 1.00 0.00 C ATOM 0 HA PRO A 466 -1.455 2.207 -14.817 1.00 0.00 H new ATOM 0 HB2 PRO A 466 -0.453 3.885 -16.736 1.00 0.00 H new ATOM 0 HB3 PRO A 466 -1.422 2.494 -17.180 1.00 0.00 H new ATOM 0 HG2 PRO A 466 -2.315 5.402 -16.902 1.00 0.00 H new ATOM 0 HG3 PRO A 466 -2.715 4.264 -18.173 1.00 0.00 H new ATOM 0 HD2 PRO A 466 -4.443 4.713 -16.105 1.00 0.00 H new ATOM 0 HD3 PRO A 466 -4.322 3.131 -16.849 1.00 0.00 H new ATOM 486 N LEU A 467 0.141 3.718 -13.742 1.00 0.00 N ATOM 487 CA LEU A 467 0.930 4.354 -12.684 1.00 0.00 C ATOM 488 C LEU A 467 2.404 3.905 -12.691 1.00 0.00 C ATOM 489 O LEU A 467 2.775 2.963 -13.392 1.00 0.00 O ATOM 490 CB LEU A 467 0.272 4.078 -11.302 1.00 0.00 C ATOM 491 CG LEU A 467 0.443 2.654 -10.715 1.00 0.00 C ATOM 492 CD1 LEU A 467 0.206 2.692 -9.201 1.00 0.00 C ATOM 493 CD2 LEU A 467 -0.518 1.629 -11.330 1.00 0.00 C ATOM 0 H LEU A 467 0.586 2.877 -14.111 1.00 0.00 H new ATOM 0 HA LEU A 467 0.936 5.427 -12.876 1.00 0.00 H new ATOM 0 HB2 LEU A 467 0.678 4.791 -10.585 1.00 0.00 H new ATOM 0 HB3 LEU A 467 -0.795 4.284 -11.387 1.00 0.00 H new ATOM 0 HG LEU A 467 1.460 2.340 -10.952 1.00 0.00 H new ATOM 0 HD11 LEU A 467 0.326 1.690 -8.789 1.00 0.00 H new ATOM 0 HD12 LEU A 467 0.927 3.365 -8.737 1.00 0.00 H new ATOM 0 HD13 LEU A 467 -0.804 3.048 -9.000 1.00 0.00 H new ATOM 0 HD21 LEU A 467 -0.347 0.653 -10.877 1.00 0.00 H new ATOM 0 HD22 LEU A 467 -1.547 1.939 -11.147 1.00 0.00 H new ATOM 0 HD23 LEU A 467 -0.344 1.566 -12.404 1.00 0.00 H new ATOM 505 N VAL A 468 3.221 4.551 -11.856 1.00 0.00 N ATOM 506 CA VAL A 468 4.588 4.135 -11.490 1.00 0.00 C ATOM 507 C VAL A 468 4.741 4.230 -9.960 1.00 0.00 C ATOM 508 O VAL A 468 3.938 4.899 -9.311 1.00 0.00 O ATOM 509 CB VAL A 468 5.673 4.927 -12.269 1.00 0.00 C ATOM 510 CG1 VAL A 468 6.009 6.307 -11.710 1.00 0.00 C ATOM 511 CG2 VAL A 468 6.957 4.097 -12.413 1.00 0.00 C ATOM 0 H VAL A 468 2.941 5.416 -11.394 1.00 0.00 H new ATOM 0 HA VAL A 468 4.744 3.098 -11.786 1.00 0.00 H new ATOM 0 HB VAL A 468 5.223 5.111 -13.244 1.00 0.00 H new ATOM 0 HG11 VAL A 468 6.777 6.773 -12.328 1.00 0.00 H new ATOM 0 HG12 VAL A 468 5.114 6.929 -11.713 1.00 0.00 H new ATOM 0 HG13 VAL A 468 6.377 6.206 -10.689 1.00 0.00 H new ATOM 0 HG21 VAL A 468 7.702 4.672 -12.962 1.00 0.00 H new ATOM 0 HG22 VAL A 468 7.344 3.851 -11.424 1.00 0.00 H new ATOM 0 HG23 VAL A 468 6.737 3.177 -12.955 1.00 0.00 H new ATOM 521 N VAL A 469 5.736 3.555 -9.375 1.00 0.00 N ATOM 522 CA VAL A 469 5.924 3.451 -7.914 1.00 0.00 C ATOM 523 C VAL A 469 7.352 3.861 -7.532 1.00 0.00 C ATOM 524 O VAL A 469 8.321 3.460 -8.177 1.00 0.00 O ATOM 525 CB VAL A 469 5.594 2.026 -7.406 1.00 0.00 C ATOM 526 CG1 VAL A 469 5.688 1.932 -5.873 1.00 0.00 C ATOM 527 CG2 VAL A 469 4.176 1.588 -7.821 1.00 0.00 C ATOM 0 H VAL A 469 6.448 3.055 -9.907 1.00 0.00 H new ATOM 0 HA VAL A 469 5.229 4.137 -7.429 1.00 0.00 H new ATOM 0 HB VAL A 469 6.333 1.368 -7.863 1.00 0.00 H new ATOM 0 HG11 VAL A 469 5.449 0.917 -5.555 1.00 0.00 H new ATOM 0 HG12 VAL A 469 6.700 2.184 -5.554 1.00 0.00 H new ATOM 0 HG13 VAL A 469 4.982 2.629 -5.422 1.00 0.00 H new ATOM 0 HG21 VAL A 469 3.981 0.583 -7.446 1.00 0.00 H new ATOM 0 HG22 VAL A 469 3.445 2.279 -7.403 1.00 0.00 H new ATOM 0 HG23 VAL A 469 4.098 1.591 -8.908 1.00 0.00 H new ATOM 537 N ASP A 470 7.470 4.670 -6.477 1.00 0.00 N ATOM 538 CA ASP A 470 8.689 5.362 -6.042 1.00 0.00 C ATOM 539 C ASP A 470 8.765 5.463 -4.503 1.00 0.00 C ATOM 540 O ASP A 470 7.769 5.268 -3.808 1.00 0.00 O ATOM 541 CB ASP A 470 8.701 6.751 -6.707 1.00 0.00 C ATOM 542 CG ASP A 470 9.995 7.537 -6.447 1.00 0.00 C ATOM 543 OD1 ASP A 470 11.085 7.007 -6.765 1.00 0.00 O ATOM 544 OD2 ASP A 470 9.913 8.677 -5.931 1.00 0.00 O ATOM 0 H ASP A 470 6.676 4.872 -5.869 1.00 0.00 H new ATOM 0 HA ASP A 470 9.570 4.797 -6.348 1.00 0.00 H new ATOM 0 HB2 ASP A 470 8.565 6.633 -7.782 1.00 0.00 H new ATOM 0 HB3 ASP A 470 7.853 7.329 -6.340 1.00 0.00 H new ATOM 786 N GLY A 485 8.361 -0.748 4.726 1.00 0.00 N ATOM 787 CA GLY A 485 6.955 -1.082 4.458 1.00 0.00 C ATOM 788 C GLY A 485 6.114 0.092 3.950 1.00 0.00 C ATOM 789 O GLY A 485 4.906 0.101 4.179 1.00 0.00 O ATOM 0 HA2 GLY A 485 6.919 -1.885 3.722 1.00 0.00 H new ATOM 0 HA3 GLY A 485 6.505 -1.467 5.373 1.00 0.00 H new ATOM 793 N TYR A 486 6.703 1.071 3.254 1.00 0.00 N ATOM 794 CA TYR A 486 5.960 2.178 2.631 1.00 0.00 C ATOM 795 C TYR A 486 6.487 2.579 1.239 1.00 0.00 C ATOM 796 O TYR A 486 7.643 2.325 0.897 1.00 0.00 O ATOM 797 CB TYR A 486 5.887 3.385 3.585 1.00 0.00 C ATOM 798 CG TYR A 486 7.153 4.221 3.685 1.00 0.00 C ATOM 799 CD1 TYR A 486 7.383 5.268 2.768 1.00 0.00 C ATOM 800 CD2 TYR A 486 8.091 3.968 4.703 1.00 0.00 C ATOM 801 CE1 TYR A 486 8.557 6.039 2.850 1.00 0.00 C ATOM 802 CE2 TYR A 486 9.268 4.738 4.792 1.00 0.00 C ATOM 803 CZ TYR A 486 9.509 5.770 3.858 1.00 0.00 C ATOM 804 OH TYR A 486 10.650 6.511 3.932 1.00 0.00 O ATOM 0 H TYR A 486 7.711 1.120 3.105 1.00 0.00 H new ATOM 0 HA TYR A 486 4.950 1.809 2.454 1.00 0.00 H new ATOM 0 HB2 TYR A 486 5.071 4.031 3.262 1.00 0.00 H new ATOM 0 HB3 TYR A 486 5.632 3.023 4.581 1.00 0.00 H new ATOM 0 HD1 TYR A 486 6.654 5.479 1.999 1.00 0.00 H new ATOM 0 HD2 TYR A 486 7.908 3.180 5.419 1.00 0.00 H new ATOM 0 HE1 TYR A 486 8.730 6.836 2.142 1.00 0.00 H new ATOM 0 HE2 TYR A 486 9.986 4.539 5.574 1.00 0.00 H new ATOM 0 HH TYR A 486 11.196 6.197 4.683 1.00 0.00 H new ATOM 814 N ALA A 487 5.627 3.224 0.442 1.00 0.00 N ATOM 815 CA ALA A 487 5.917 3.705 -0.909 1.00 0.00 C ATOM 816 C ALA A 487 4.977 4.855 -1.316 1.00 0.00 C ATOM 817 O ALA A 487 3.978 5.136 -0.645 1.00 0.00 O ATOM 818 CB ALA A 487 5.814 2.520 -1.887 1.00 0.00 C ATOM 0 H ALA A 487 4.672 3.432 0.735 1.00 0.00 H new ATOM 0 HA ALA A 487 6.928 4.111 -0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 487 6.028 2.864 -2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 487 6.534 1.752 -1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 487 4.807 2.104 -1.850 1.00 0.00 H new ATOM 824 N PHE A 488 5.291 5.484 -2.449 1.00 0.00 N ATOM 825 CA PHE A 488 4.486 6.500 -3.115 1.00 0.00 C ATOM 826 C PHE A 488 4.105 6.026 -4.521 1.00 0.00 C ATOM 827 O PHE A 488 4.963 5.775 -5.369 1.00 0.00 O ATOM 828 CB PHE A 488 5.262 7.823 -3.184 1.00 0.00 C ATOM 829 CG PHE A 488 5.471 8.489 -1.840 1.00 0.00 C ATOM 830 CD1 PHE A 488 4.446 9.273 -1.281 1.00 0.00 C ATOM 831 CD2 PHE A 488 6.690 8.335 -1.154 1.00 0.00 C ATOM 832 CE1 PHE A 488 4.648 9.916 -0.047 1.00 0.00 C ATOM 833 CE2 PHE A 488 6.888 8.971 0.085 1.00 0.00 C ATOM 834 CZ PHE A 488 5.867 9.766 0.637 1.00 0.00 C ATOM 0 H PHE A 488 6.158 5.286 -2.949 1.00 0.00 H new ATOM 0 HA PHE A 488 3.572 6.664 -2.544 1.00 0.00 H new ATOM 0 HB2 PHE A 488 6.234 7.638 -3.641 1.00 0.00 H new ATOM 0 HB3 PHE A 488 4.728 8.511 -3.839 1.00 0.00 H new ATOM 0 HD1 PHE A 488 3.505 9.381 -1.799 1.00 0.00 H new ATOM 0 HD2 PHE A 488 7.475 7.727 -1.580 1.00 0.00 H new ATOM 0 HE1 PHE A 488 3.864 10.527 0.377 1.00 0.00 H new ATOM 0 HE2 PHE A 488 7.823 8.849 0.612 1.00 0.00 H new ATOM 0 HZ PHE A 488 6.019 10.260 1.585 1.00 0.00 H new ATOM 844 N LEU A 489 2.800 5.934 -4.767 1.00 0.00 N ATOM 845 CA LEU A 489 2.213 5.717 -6.086 1.00 0.00 C ATOM 846 C LEU A 489 2.162 7.052 -6.826 1.00 0.00 C ATOM 847 O LEU A 489 1.813 8.071 -6.224 1.00 0.00 O ATOM 848 CB LEU A 489 0.778 5.179 -5.945 1.00 0.00 C ATOM 849 CG LEU A 489 0.576 4.005 -4.971 1.00 0.00 C ATOM 850 CD1 LEU A 489 -0.924 3.724 -4.877 1.00 0.00 C ATOM 851 CD2 LEU A 489 1.339 2.742 -5.386 1.00 0.00 C ATOM 0 H LEU A 489 2.100 6.011 -4.029 1.00 0.00 H new ATOM 0 HA LEU A 489 2.818 4.995 -6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 489 0.136 6.000 -5.627 1.00 0.00 H new ATOM 0 HB3 LEU A 489 0.432 4.868 -6.931 1.00 0.00 H new ATOM 0 HG LEU A 489 0.982 4.287 -4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 489 -1.096 2.894 -4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 489 -1.438 4.612 -4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 489 -1.308 3.465 -5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 489 1.156 1.951 -4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 489 0.998 2.418 -6.369 1.00 0.00 H new ATOM 0 HD23 LEU A 489 2.407 2.958 -5.425 1.00 0.00 H new ATOM 863 N LEU A 490 2.444 7.028 -8.125 1.00 0.00 N ATOM 864 CA LEU A 490 2.289 8.147 -9.052 1.00 0.00 C ATOM 865 C LEU A 490 1.390 7.679 -10.201 1.00 0.00 C ATOM 866 O LEU A 490 1.847 6.945 -11.084 1.00 0.00 O ATOM 867 CB LEU A 490 3.666 8.571 -9.598 1.00 0.00 C ATOM 868 CG LEU A 490 4.788 8.890 -8.596 1.00 0.00 C ATOM 869 CD1 LEU A 490 6.061 9.185 -9.404 1.00 0.00 C ATOM 870 CD2 LEU A 490 4.426 10.073 -7.690 1.00 0.00 C ATOM 0 H LEU A 490 2.803 6.190 -8.582 1.00 0.00 H new ATOM 0 HA LEU A 490 1.844 9.004 -8.546 1.00 0.00 H new ATOM 0 HB2 LEU A 490 4.022 7.775 -10.252 1.00 0.00 H new ATOM 0 HB3 LEU A 490 3.518 9.453 -10.221 1.00 0.00 H new ATOM 0 HG LEU A 490 4.943 8.038 -7.935 1.00 0.00 H new ATOM 0 HD11 LEU A 490 6.879 9.416 -8.722 1.00 0.00 H new ATOM 0 HD12 LEU A 490 6.323 8.312 -10.002 1.00 0.00 H new ATOM 0 HD13 LEU A 490 5.885 10.036 -10.062 1.00 0.00 H new ATOM 0 HD21 LEU A 490 5.245 10.265 -6.997 1.00 0.00 H new ATOM 0 HD22 LEU A 490 4.252 10.959 -8.301 1.00 0.00 H new ATOM 0 HD23 LEU A 490 3.523 9.837 -7.127 1.00 0.00 H new ATOM 882 N PHE A 491 0.115 8.066 -10.185 1.00 0.00 N ATOM 883 CA PHE A 491 -0.841 7.733 -11.246 1.00 0.00 C ATOM 884 C PHE A 491 -0.674 8.671 -12.451 1.00 0.00 C ATOM 885 O PHE A 491 -0.225 9.809 -12.307 1.00 0.00 O ATOM 886 CB PHE A 491 -2.270 7.777 -10.687 1.00 0.00 C ATOM 887 CG PHE A 491 -2.564 6.714 -9.641 1.00 0.00 C ATOM 888 CD1 PHE A 491 -2.333 6.981 -8.277 1.00 0.00 C ATOM 889 CD2 PHE A 491 -3.068 5.455 -10.026 1.00 0.00 C ATOM 890 CE1 PHE A 491 -2.625 6.008 -7.305 1.00 0.00 C ATOM 891 CE2 PHE A 491 -3.338 4.477 -9.054 1.00 0.00 C ATOM 892 CZ PHE A 491 -3.130 4.757 -7.694 1.00 0.00 C ATOM 0 H PHE A 491 -0.288 8.623 -9.432 1.00 0.00 H new ATOM 0 HA PHE A 491 -0.642 6.721 -11.600 1.00 0.00 H new ATOM 0 HB2 PHE A 491 -2.447 8.760 -10.250 1.00 0.00 H new ATOM 0 HB3 PHE A 491 -2.974 7.664 -11.511 1.00 0.00 H new ATOM 0 HD1 PHE A 491 -1.930 7.937 -7.977 1.00 0.00 H new ATOM 0 HD2 PHE A 491 -3.247 5.242 -11.070 1.00 0.00 H new ATOM 0 HE1 PHE A 491 -2.461 6.223 -6.259 1.00 0.00 H new ATOM 0 HE2 PHE A 491 -3.707 3.507 -9.354 1.00 0.00 H new ATOM 0 HZ PHE A 491 -3.358 4.011 -6.948 1.00 0.00 H new ATOM 902 N GLN A 492 -1.055 8.218 -13.649 1.00 0.00 N ATOM 903 CA GLN A 492 -0.996 9.055 -14.853 1.00 0.00 C ATOM 904 C GLN A 492 -2.143 10.081 -14.927 1.00 0.00 C ATOM 905 O GLN A 492 -2.003 11.092 -15.613 1.00 0.00 O ATOM 906 CB GLN A 492 -0.963 8.165 -16.104 1.00 0.00 C ATOM 907 CG GLN A 492 0.345 7.355 -16.210 1.00 0.00 C ATOM 908 CD GLN A 492 0.494 6.579 -17.525 1.00 0.00 C ATOM 909 OE1 GLN A 492 -0.302 6.669 -18.453 1.00 0.00 O ATOM 910 NE2 GLN A 492 1.535 5.782 -17.662 1.00 0.00 N ATOM 0 H GLN A 492 -1.408 7.275 -13.812 1.00 0.00 H new ATOM 0 HA GLN A 492 -0.076 9.638 -14.802 1.00 0.00 H new ATOM 0 HB2 GLN A 492 -1.811 7.481 -16.083 1.00 0.00 H new ATOM 0 HB3 GLN A 492 -1.076 8.786 -16.992 1.00 0.00 H new ATOM 0 HG2 GLN A 492 1.191 8.034 -16.103 1.00 0.00 H new ATOM 0 HG3 GLN A 492 0.394 6.652 -15.378 1.00 0.00 H new ATOM 0 HE21 GLN A 492 2.211 5.691 -16.903 1.00 0.00 H new ATOM 0 HE22 GLN A 492 1.665 5.257 -18.527 1.00 0.00 H new ATOM 919 N GLU A 493 -3.240 9.882 -14.188 1.00 0.00 N ATOM 920 CA GLU A 493 -4.418 10.760 -14.177 1.00 0.00 C ATOM 921 C GLU A 493 -4.980 10.900 -12.756 1.00 0.00 C ATOM 922 O GLU A 493 -5.019 9.933 -11.992 1.00 0.00 O ATOM 923 CB GLU A 493 -5.512 10.213 -15.115 1.00 0.00 C ATOM 924 CG GLU A 493 -5.104 10.220 -16.594 1.00 0.00 C ATOM 925 CD GLU A 493 -6.284 9.830 -17.497 1.00 0.00 C ATOM 926 OE1 GLU A 493 -6.461 8.623 -17.785 1.00 0.00 O ATOM 927 OE2 GLU A 493 -7.037 10.732 -17.936 1.00 0.00 O ATOM 0 H GLU A 493 -3.337 9.082 -13.562 1.00 0.00 H new ATOM 0 HA GLU A 493 -4.105 11.742 -14.531 1.00 0.00 H new ATOM 0 HB2 GLU A 493 -5.758 9.194 -14.818 1.00 0.00 H new ATOM 0 HB3 GLU A 493 -6.417 10.808 -14.992 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -4.743 11.211 -16.870 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -4.278 9.526 -16.750 1.00 0.00 H new ATOM 934 N GLU A 494 -5.451 12.101 -12.404 1.00 0.00 N ATOM 935 CA GLU A 494 -6.061 12.383 -11.095 1.00 0.00 C ATOM 936 C GLU A 494 -7.327 11.539 -10.865 1.00 0.00 C ATOM 937 O GLU A 494 -7.598 11.105 -9.745 1.00 0.00 O ATOM 938 CB GLU A 494 -6.402 13.878 -10.984 1.00 0.00 C ATOM 939 CG GLU A 494 -5.161 14.780 -10.954 1.00 0.00 C ATOM 940 CD GLU A 494 -5.560 16.263 -10.969 1.00 0.00 C ATOM 941 OE1 GLU A 494 -5.729 16.834 -12.073 1.00 0.00 O ATOM 942 OE2 GLU A 494 -5.702 16.870 -9.882 1.00 0.00 O ATOM 0 H GLU A 494 -5.421 12.912 -13.022 1.00 0.00 H new ATOM 0 HA GLU A 494 -5.336 12.116 -10.326 1.00 0.00 H new ATOM 0 HB2 GLU A 494 -7.031 14.164 -11.827 1.00 0.00 H new ATOM 0 HB3 GLU A 494 -6.986 14.045 -10.079 1.00 0.00 H new ATOM 0 HG2 GLU A 494 -4.573 14.567 -10.061 1.00 0.00 H new ATOM 0 HG3 GLU A 494 -4.527 14.561 -11.813 1.00 0.00 H new ATOM 949 N SER A 495 -8.061 11.213 -11.931 1.00 0.00 N ATOM 950 CA SER A 495 -9.228 10.320 -11.900 1.00 0.00 C ATOM 951 C SER A 495 -8.906 8.935 -11.316 1.00 0.00 C ATOM 952 O SER A 495 -9.762 8.322 -10.680 1.00 0.00 O ATOM 953 CB SER A 495 -9.794 10.156 -13.318 1.00 0.00 C ATOM 954 OG SER A 495 -10.047 11.419 -13.924 1.00 0.00 O ATOM 0 H SER A 495 -7.858 11.570 -12.865 1.00 0.00 H new ATOM 0 HA SER A 495 -9.965 10.785 -11.245 1.00 0.00 H new ATOM 0 HB2 SER A 495 -9.090 9.591 -13.930 1.00 0.00 H new ATOM 0 HB3 SER A 495 -10.717 9.578 -13.279 1.00 0.00 H new ATOM 0 HG SER A 495 -10.405 11.283 -14.826 1.00 0.00 H new ATOM 960 N SER A 496 -7.663 8.455 -11.437 1.00 0.00 N ATOM 961 CA SER A 496 -7.222 7.200 -10.815 1.00 0.00 C ATOM 962 C SER A 496 -7.058 7.335 -9.292 1.00 0.00 C ATOM 963 O SER A 496 -7.278 6.368 -8.563 1.00 0.00 O ATOM 964 CB SER A 496 -5.890 6.748 -11.425 1.00 0.00 C ATOM 965 OG SER A 496 -5.947 6.659 -12.843 1.00 0.00 O ATOM 0 H SER A 496 -6.932 8.927 -11.970 1.00 0.00 H new ATOM 0 HA SER A 496 -7.996 6.457 -11.009 1.00 0.00 H new ATOM 0 HB2 SER A 496 -5.106 7.449 -11.139 1.00 0.00 H new ATOM 0 HB3 SER A 496 -5.616 5.777 -11.013 1.00 0.00 H new ATOM 0 HG SER A 496 -6.457 5.863 -13.101 1.00 0.00 H new ATOM 971 N VAL A 497 -6.747 8.536 -8.791 1.00 0.00 N ATOM 972 CA VAL A 497 -6.675 8.811 -7.347 1.00 0.00 C ATOM 973 C VAL A 497 -8.087 8.935 -6.771 1.00 0.00 C ATOM 974 O VAL A 497 -8.350 8.414 -5.692 1.00 0.00 O ATOM 975 CB VAL A 497 -5.825 10.062 -7.021 1.00 0.00 C ATOM 976 CG1 VAL A 497 -5.757 10.326 -5.507 1.00 0.00 C ATOM 977 CG2 VAL A 497 -4.402 9.880 -7.569 1.00 0.00 C ATOM 0 H VAL A 497 -6.538 9.347 -9.374 1.00 0.00 H new ATOM 0 HA VAL A 497 -6.169 7.969 -6.875 1.00 0.00 H new ATOM 0 HB VAL A 497 -6.303 10.920 -7.494 1.00 0.00 H new ATOM 0 HG11 VAL A 497 -5.151 11.213 -5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 497 -6.763 10.485 -5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 497 -5.308 9.467 -5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 497 -3.807 10.763 -7.337 1.00 0.00 H new ATOM 0 HG22 VAL A 497 -3.945 9.004 -7.110 1.00 0.00 H new ATOM 0 HG23 VAL A 497 -4.443 9.744 -8.650 1.00 0.00 H new ATOM 987 N GLN A 498 -9.029 9.536 -7.507 1.00 0.00 N ATOM 988 CA GLN A 498 -10.440 9.553 -7.111 1.00 0.00 C ATOM 989 C GLN A 498 -11.059 8.148 -7.141 1.00 0.00 C ATOM 990 O GLN A 498 -11.827 7.812 -6.242 1.00 0.00 O ATOM 991 CB GLN A 498 -11.202 10.515 -8.038 1.00 0.00 C ATOM 992 CG GLN A 498 -12.702 10.661 -7.723 1.00 0.00 C ATOM 993 CD GLN A 498 -12.990 11.142 -6.298 1.00 0.00 C ATOM 994 OE1 GLN A 498 -13.062 12.330 -6.013 1.00 0.00 O ATOM 995 NE2 GLN A 498 -13.163 10.243 -5.351 1.00 0.00 N ATOM 0 H GLN A 498 -8.837 10.019 -8.385 1.00 0.00 H new ATOM 0 HA GLN A 498 -10.514 9.901 -6.081 1.00 0.00 H new ATOM 0 HB2 GLN A 498 -10.735 11.498 -7.981 1.00 0.00 H new ATOM 0 HB3 GLN A 498 -11.093 10.170 -9.066 1.00 0.00 H new ATOM 0 HG2 GLN A 498 -13.146 11.362 -8.430 1.00 0.00 H new ATOM 0 HG3 GLN A 498 -13.192 9.700 -7.878 1.00 0.00 H new ATOM 0 HE21 GLN A 498 -13.106 9.249 -5.574 1.00 0.00 H new ATOM 0 HE22 GLN A 498 -13.354 10.540 -4.394 1.00 0.00 H new ATOM 1004 N ALA A 499 -10.701 7.313 -8.121 1.00 0.00 N ATOM 1005 CA ALA A 499 -11.113 5.905 -8.166 1.00 0.00 C ATOM 1006 C ALA A 499 -10.568 5.097 -6.975 1.00 0.00 C ATOM 1007 O ALA A 499 -11.292 4.270 -6.417 1.00 0.00 O ATOM 1008 CB ALA A 499 -10.667 5.286 -9.495 1.00 0.00 C ATOM 0 H ALA A 499 -10.116 7.594 -8.908 1.00 0.00 H new ATOM 0 HA ALA A 499 -12.200 5.869 -8.092 1.00 0.00 H new ATOM 0 HB1 ALA A 499 -10.972 4.240 -9.530 1.00 0.00 H new ATOM 0 HB2 ALA A 499 -11.129 5.827 -10.321 1.00 0.00 H new ATOM 0 HB3 ALA A 499 -9.582 5.350 -9.580 1.00 0.00 H new ATOM 1014 N LEU A 500 -9.325 5.366 -6.554 1.00 0.00 N ATOM 1015 CA LEU A 500 -8.748 4.803 -5.333 1.00 0.00 C ATOM 1016 C LEU A 500 -9.521 5.277 -4.091 1.00 0.00 C ATOM 1017 O LEU A 500 -9.934 4.449 -3.284 1.00 0.00 O ATOM 1018 CB LEU A 500 -7.240 5.131 -5.292 1.00 0.00 C ATOM 1019 CG LEU A 500 -6.515 4.785 -3.976 1.00 0.00 C ATOM 1020 CD1 LEU A 500 -6.683 3.320 -3.565 1.00 0.00 C ATOM 1021 CD2 LEU A 500 -5.015 5.071 -4.131 1.00 0.00 C ATOM 0 H LEU A 500 -8.690 5.985 -7.057 1.00 0.00 H new ATOM 0 HA LEU A 500 -8.844 3.717 -5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -6.749 4.598 -6.106 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -7.113 6.196 -5.486 1.00 0.00 H new ATOM 0 HG LEU A 500 -6.965 5.403 -3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -6.150 3.141 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -7.742 3.100 -3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -6.278 2.675 -4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -4.500 4.827 -3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -4.610 4.463 -4.940 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -4.868 6.126 -4.361 1.00 0.00 H new ATOM 1033 N ILE A 501 -9.787 6.581 -3.965 1.00 0.00 N ATOM 1034 CA ILE A 501 -10.583 7.166 -2.863 1.00 0.00 C ATOM 1035 C ILE A 501 -11.977 6.521 -2.776 1.00 0.00 C ATOM 1036 O ILE A 501 -12.424 6.171 -1.684 1.00 0.00 O ATOM 1037 CB ILE A 501 -10.668 8.705 -3.022 1.00 0.00 C ATOM 1038 CG1 ILE A 501 -9.287 9.365 -2.798 1.00 0.00 C ATOM 1039 CG2 ILE A 501 -11.692 9.316 -2.044 1.00 0.00 C ATOM 1040 CD1 ILE A 501 -9.169 10.788 -3.354 1.00 0.00 C ATOM 0 H ILE A 501 -9.454 7.277 -4.632 1.00 0.00 H new ATOM 0 HA ILE A 501 -10.079 6.953 -1.920 1.00 0.00 H new ATOM 0 HB ILE A 501 -10.996 8.902 -4.043 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -9.077 9.387 -1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -8.521 8.742 -3.260 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -11.727 10.397 -2.182 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -12.678 8.893 -2.238 1.00 0.00 H new ATOM 0 HG23 ILE A 501 -11.396 9.090 -1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 501 -8.170 11.175 -3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 501 -9.344 10.774 -4.430 1.00 0.00 H new ATOM 0 HD13 ILE A 501 -9.909 11.429 -2.874 1.00 0.00 H new ATOM 1052 N ASP A 502 -12.643 6.312 -3.913 1.00 0.00 N ATOM 1053 CA ASP A 502 -13.975 5.698 -4.001 1.00 0.00 C ATOM 1054 C ASP A 502 -13.990 4.199 -3.624 1.00 0.00 C ATOM 1055 O ASP A 502 -15.043 3.663 -3.272 1.00 0.00 O ATOM 1056 CB ASP A 502 -14.524 5.927 -5.419 1.00 0.00 C ATOM 1057 CG ASP A 502 -15.984 5.468 -5.576 1.00 0.00 C ATOM 1058 OD1 ASP A 502 -16.880 6.101 -4.969 1.00 0.00 O ATOM 1059 OD2 ASP A 502 -16.234 4.501 -6.336 1.00 0.00 O ATOM 0 H ASP A 502 -12.263 6.571 -4.824 1.00 0.00 H new ATOM 0 HA ASP A 502 -14.618 6.178 -3.264 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -14.453 6.987 -5.664 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -13.901 5.392 -6.135 1.00 0.00 H new ATOM 1064 N ALA A 503 -12.828 3.535 -3.644 1.00 0.00 N ATOM 1065 CA ALA A 503 -12.644 2.142 -3.227 1.00 0.00 C ATOM 1066 C ALA A 503 -12.083 1.994 -1.797 1.00 0.00 C ATOM 1067 O ALA A 503 -12.133 0.897 -1.234 1.00 0.00 O ATOM 1068 CB ALA A 503 -11.736 1.461 -4.256 1.00 0.00 C ATOM 0 H ALA A 503 -11.961 3.969 -3.962 1.00 0.00 H new ATOM 0 HA ALA A 503 -13.621 1.660 -3.192 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -11.580 0.420 -3.972 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -12.205 1.502 -5.239 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -10.775 1.975 -4.290 1.00 0.00 H new ATOM 1074 N CYS A 504 -11.567 3.072 -1.196 1.00 0.00 N ATOM 1075 CA CYS A 504 -10.973 3.054 0.140 1.00 0.00 C ATOM 1076 C CYS A 504 -12.012 2.994 1.277 1.00 0.00 C ATOM 1077 O CYS A 504 -13.120 3.534 1.185 1.00 0.00 O ATOM 1078 CB CYS A 504 -10.096 4.301 0.332 1.00 0.00 C ATOM 1079 SG CYS A 504 -8.496 4.126 -0.502 1.00 0.00 S ATOM 0 H CYS A 504 -11.551 3.994 -1.633 1.00 0.00 H new ATOM 0 HA CYS A 504 -10.380 2.141 0.199 1.00 0.00 H new ATOM 0 HB2 CYS A 504 -10.616 5.176 -0.058 1.00 0.00 H new ATOM 0 HB3 CYS A 504 -9.935 4.473 1.396 1.00 0.00 H new ATOM 0 HG CYS A 504 -8.663 4.228 -1.787 1.00 0.00 H new ATOM 1085 N LEU A 505 -11.596 2.372 2.380 1.00 0.00 N ATOM 1086 CA LEU A 505 -12.236 2.432 3.697 1.00 0.00 C ATOM 1087 C LEU A 505 -11.689 3.672 4.432 1.00 0.00 C ATOM 1088 O LEU A 505 -10.807 4.363 3.917 1.00 0.00 O ATOM 1089 CB LEU A 505 -11.935 1.133 4.475 1.00 0.00 C ATOM 1090 CG LEU A 505 -12.467 -0.153 3.813 1.00 0.00 C ATOM 1091 CD1 LEU A 505 -11.979 -1.376 4.602 1.00 0.00 C ATOM 1092 CD2 LEU A 505 -14.000 -0.172 3.722 1.00 0.00 C ATOM 0 H LEU A 505 -10.763 1.783 2.381 1.00 0.00 H new ATOM 0 HA LEU A 505 -13.319 2.518 3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 505 -10.856 1.042 4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 505 -12.365 1.216 5.473 1.00 0.00 H new ATOM 0 HG LEU A 505 -12.081 -0.182 2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 505 -12.356 -2.285 4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 505 -10.889 -1.395 4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 505 -12.345 -1.318 5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 505 -14.325 -1.098 3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 505 -14.425 -0.108 4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 505 -14.340 0.677 3.129 1.00 0.00 H new ATOM 1104 N GLU A 506 -12.174 3.945 5.640 1.00 0.00 N ATOM 1105 CA GLU A 506 -11.817 5.150 6.403 1.00 0.00 C ATOM 1106 C GLU A 506 -11.768 4.870 7.914 1.00 0.00 C ATOM 1107 O GLU A 506 -12.680 4.248 8.466 1.00 0.00 O ATOM 1108 CB GLU A 506 -12.811 6.277 6.066 1.00 0.00 C ATOM 1109 CG GLU A 506 -12.382 7.640 6.621 1.00 0.00 C ATOM 1110 CD GLU A 506 -13.447 8.706 6.327 1.00 0.00 C ATOM 1111 OE1 GLU A 506 -14.384 8.870 7.145 1.00 0.00 O ATOM 1112 OE2 GLU A 506 -13.357 9.390 5.280 1.00 0.00 O ATOM 0 H GLU A 506 -12.831 3.335 6.126 1.00 0.00 H new ATOM 0 HA GLU A 506 -10.814 5.466 6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 506 -12.917 6.349 4.984 1.00 0.00 H new ATOM 0 HB3 GLU A 506 -13.792 6.020 6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 506 -12.222 7.566 7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 506 -11.432 7.936 6.177 1.00 0.00 H new ATOM 1175 N LEU A 511 -7.411 7.064 5.070 1.00 0.00 N ATOM 1176 CA LEU A 511 -8.009 6.065 4.175 1.00 0.00 C ATOM 1177 C LEU A 511 -7.240 4.739 4.235 1.00 0.00 C ATOM 1178 O LEU A 511 -6.059 4.714 4.584 1.00 0.00 O ATOM 1179 CB LEU A 511 -8.066 6.627 2.740 1.00 0.00 C ATOM 1180 CG LEU A 511 -8.982 7.852 2.534 1.00 0.00 C ATOM 1181 CD1 LEU A 511 -8.886 8.307 1.070 1.00 0.00 C ATOM 1182 CD2 LEU A 511 -10.450 7.562 2.885 1.00 0.00 C ATOM 0 HA LEU A 511 -9.027 5.855 4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 511 -7.055 6.898 2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 511 -8.398 5.832 2.072 1.00 0.00 H new ATOM 0 HG LEU A 511 -8.640 8.636 3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 511 -9.530 9.172 0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 511 -7.855 8.576 0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 511 -9.204 7.496 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 511 -11.047 8.459 2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 511 -10.823 6.757 2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 511 -10.522 7.264 3.931 1.00 0.00 H new ATOM 1194 N TYR A 512 -7.895 3.632 3.873 1.00 0.00 N ATOM 1195 CA TYR A 512 -7.284 2.294 3.823 1.00 0.00 C ATOM 1196 C TYR A 512 -7.757 1.459 2.622 1.00 0.00 C ATOM 1197 O TYR A 512 -8.921 1.510 2.230 1.00 0.00 O ATOM 1198 CB TYR A 512 -7.515 1.515 5.135 1.00 0.00 C ATOM 1199 CG TYR A 512 -6.796 2.073 6.351 1.00 0.00 C ATOM 1200 CD1 TYR A 512 -7.348 3.146 7.079 1.00 0.00 C ATOM 1201 CD2 TYR A 512 -5.564 1.519 6.752 1.00 0.00 C ATOM 1202 CE1 TYR A 512 -6.651 3.694 8.172 1.00 0.00 C ATOM 1203 CE2 TYR A 512 -4.870 2.053 7.854 1.00 0.00 C ATOM 1204 CZ TYR A 512 -5.406 3.153 8.560 1.00 0.00 C ATOM 1205 OH TYR A 512 -4.719 3.687 9.607 1.00 0.00 O ATOM 0 H TYR A 512 -8.878 3.637 3.602 1.00 0.00 H new ATOM 0 HA TYR A 512 -6.215 2.464 3.697 1.00 0.00 H new ATOM 0 HB2 TYR A 512 -8.585 1.493 5.343 1.00 0.00 H new ATOM 0 HB3 TYR A 512 -7.198 0.483 4.987 1.00 0.00 H new ATOM 0 HD1 TYR A 512 -8.309 3.549 6.797 1.00 0.00 H new ATOM 0 HD2 TYR A 512 -5.150 0.681 6.211 1.00 0.00 H new ATOM 0 HE1 TYR A 512 -7.069 4.529 8.714 1.00 0.00 H new ATOM 0 HE2 TYR A 512 -3.928 1.622 8.160 1.00 0.00 H new ATOM 0 HH TYR A 512 -4.187 2.987 10.040 1.00 0.00 H new ATOM 1215 N LEU A 513 -6.854 0.639 2.080 1.00 0.00 N ATOM 1216 CA LEU A 513 -7.114 -0.379 1.053 1.00 0.00 C ATOM 1217 C LEU A 513 -6.500 -1.717 1.508 1.00 0.00 C ATOM 1218 O LEU A 513 -5.981 -1.797 2.623 1.00 0.00 O ATOM 1219 CB LEU A 513 -6.530 0.123 -0.286 1.00 0.00 C ATOM 1220 CG LEU A 513 -7.298 -0.390 -1.519 1.00 0.00 C ATOM 1221 CD1 LEU A 513 -8.568 0.446 -1.736 1.00 0.00 C ATOM 1222 CD2 LEU A 513 -6.420 -0.316 -2.768 1.00 0.00 C ATOM 0 H LEU A 513 -5.873 0.666 2.357 1.00 0.00 H new ATOM 0 HA LEU A 513 -8.182 -0.546 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -6.536 1.213 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 513 -5.489 -0.190 -0.360 1.00 0.00 H new ATOM 0 HG LEU A 513 -7.574 -1.429 -1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -9.103 0.075 -2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -9.209 0.368 -0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 513 -8.294 1.489 -1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -6.980 -0.683 -3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -6.122 0.718 -2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -5.531 -0.930 -2.625 1.00 0.00 H new ATOM 1234 N CYS A 514 -6.511 -2.757 0.669 1.00 0.00 N ATOM 1235 CA CYS A 514 -5.969 -4.083 0.988 1.00 0.00 C ATOM 1236 C CYS A 514 -5.105 -4.677 -0.144 1.00 0.00 C ATOM 1237 O CYS A 514 -5.353 -4.422 -1.327 1.00 0.00 O ATOM 1238 CB CYS A 514 -7.124 -5.006 1.419 1.00 0.00 C ATOM 1239 SG CYS A 514 -8.338 -5.197 0.076 1.00 0.00 S ATOM 0 H CYS A 514 -6.905 -2.700 -0.270 1.00 0.00 H new ATOM 0 HA CYS A 514 -5.274 -3.983 1.822 1.00 0.00 H new ATOM 0 HB2 CYS A 514 -6.729 -5.983 1.699 1.00 0.00 H new ATOM 0 HB3 CYS A 514 -7.614 -4.595 2.302 1.00 0.00 H new ATOM 0 HG CYS A 514 -9.298 -5.981 0.467 1.00 0.00 H new ATOM 1245 N VAL A 515 -4.085 -5.453 0.240 1.00 0.00 N ATOM 1246 CA VAL A 515 -3.024 -6.028 -0.620 1.00 0.00 C ATOM 1247 C VAL A 515 -2.485 -7.344 -0.018 1.00 0.00 C ATOM 1248 O VAL A 515 -2.949 -7.777 1.036 1.00 0.00 O ATOM 1249 CB VAL A 515 -1.860 -5.027 -0.868 1.00 0.00 C ATOM 1250 CG1 VAL A 515 -2.310 -3.742 -1.582 1.00 0.00 C ATOM 1251 CG2 VAL A 515 -1.127 -4.643 0.428 1.00 0.00 C ATOM 0 H VAL A 515 -3.964 -5.717 1.218 1.00 0.00 H new ATOM 0 HA VAL A 515 -3.479 -6.242 -1.587 1.00 0.00 H new ATOM 0 HB VAL A 515 -1.173 -5.564 -1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -1.452 -3.086 -1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -2.739 -3.996 -2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -3.059 -3.232 -0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -0.324 -3.943 0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -1.829 -4.176 1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -0.707 -5.538 0.887 1.00 0.00 H new ATOM 1261 N SER A 516 -1.503 -7.988 -0.655 1.00 0.00 N ATOM 1262 CA SER A 516 -0.945 -9.288 -0.234 1.00 0.00 C ATOM 1263 C SER A 516 0.439 -9.584 -0.854 1.00 0.00 C ATOM 1264 O SER A 516 0.912 -8.878 -1.745 1.00 0.00 O ATOM 1265 CB SER A 516 -1.941 -10.422 -0.557 1.00 0.00 C ATOM 1266 OG SER A 516 -2.229 -10.509 -1.948 1.00 0.00 O ATOM 0 H SER A 516 -1.061 -7.617 -1.496 1.00 0.00 H new ATOM 0 HA SER A 516 -0.791 -9.233 0.844 1.00 0.00 H new ATOM 0 HB2 SER A 516 -1.531 -11.372 -0.213 1.00 0.00 H new ATOM 0 HB3 SER A 516 -2.867 -10.257 -0.006 1.00 0.00 H new ATOM 0 HG SER A 516 -2.862 -11.241 -2.106 1.00 0.00 H new ATOM 1272 N SER A 517 1.101 -10.641 -0.380 1.00 0.00 N ATOM 1273 CA SER A 517 2.415 -11.124 -0.829 1.00 0.00 C ATOM 1274 C SER A 517 2.459 -12.673 -0.826 1.00 0.00 C ATOM 1275 O SER A 517 1.446 -13.311 -0.501 1.00 0.00 O ATOM 1276 CB SER A 517 3.499 -10.517 0.083 1.00 0.00 C ATOM 1277 OG SER A 517 3.626 -11.246 1.300 1.00 0.00 O ATOM 0 H SER A 517 0.716 -11.217 0.369 1.00 0.00 H new ATOM 0 HA SER A 517 2.600 -10.807 -1.856 1.00 0.00 H new ATOM 0 HB2 SER A 517 4.455 -10.512 -0.440 1.00 0.00 H new ATOM 0 HB3 SER A 517 3.251 -9.479 0.304 1.00 0.00 H new ATOM 0 HG SER A 517 4.322 -10.837 1.855 1.00 0.00 H new ATOM 1283 N PRO A 518 3.601 -13.323 -1.149 1.00 0.00 N ATOM 1284 CA PRO A 518 3.747 -14.774 -1.039 1.00 0.00 C ATOM 1285 C PRO A 518 3.549 -15.320 0.385 1.00 0.00 C ATOM 1286 O PRO A 518 3.210 -16.497 0.527 1.00 0.00 O ATOM 1287 CB PRO A 518 5.155 -15.096 -1.557 1.00 0.00 C ATOM 1288 CG PRO A 518 5.472 -13.919 -2.477 1.00 0.00 C ATOM 1289 CD PRO A 518 4.800 -12.760 -1.749 1.00 0.00 C ATOM 0 HA PRO A 518 2.964 -15.259 -1.622 1.00 0.00 H new ATOM 0 HB2 PRO A 518 5.875 -15.174 -0.742 1.00 0.00 H new ATOM 0 HB3 PRO A 518 5.178 -16.044 -2.095 1.00 0.00 H new ATOM 0 HG2 PRO A 518 6.545 -13.765 -2.587 1.00 0.00 H new ATOM 0 HG3 PRO A 518 5.066 -14.063 -3.478 1.00 0.00 H new ATOM 0 HD2 PRO A 518 5.459 -12.339 -0.989 1.00 0.00 H new ATOM 0 HD3 PRO A 518 4.552 -11.953 -2.439 1.00 0.00 H new ATOM 1297 N THR A 519 3.715 -14.482 1.425 1.00 0.00 N ATOM 1298 CA THR A 519 3.677 -14.887 2.842 1.00 0.00 C ATOM 1299 C THR A 519 2.639 -14.144 3.680 1.00 0.00 C ATOM 1300 O THR A 519 2.195 -14.688 4.691 1.00 0.00 O ATOM 1301 CB THR A 519 5.060 -14.714 3.484 1.00 0.00 C ATOM 1302 OG1 THR A 519 5.498 -13.382 3.306 1.00 0.00 O ATOM 1303 CG2 THR A 519 6.099 -15.657 2.872 1.00 0.00 C ATOM 0 H THR A 519 3.883 -13.484 1.301 1.00 0.00 H new ATOM 0 HA THR A 519 3.380 -15.936 2.835 1.00 0.00 H new ATOM 0 HB THR A 519 4.962 -14.954 4.543 1.00 0.00 H new ATOM 0 HG1 THR A 519 6.380 -13.270 3.717 1.00 0.00 H new ATOM 0 HG21 THR A 519 7.063 -15.500 3.356 1.00 0.00 H new ATOM 0 HG22 THR A 519 5.783 -16.690 3.018 1.00 0.00 H new ATOM 0 HG23 THR A 519 6.192 -15.453 1.805 1.00 0.00 H new ATOM 1311 N ILE A 520 2.207 -12.947 3.271 1.00 0.00 N ATOM 1312 CA ILE A 520 1.258 -12.092 4.007 1.00 0.00 C ATOM 1313 C ILE A 520 -0.034 -11.940 3.202 1.00 0.00 C ATOM 1314 O ILE A 520 -0.014 -11.567 2.029 1.00 0.00 O ATOM 1315 CB ILE A 520 1.899 -10.718 4.317 1.00 0.00 C ATOM 1316 CG1 ILE A 520 3.284 -10.788 5.001 1.00 0.00 C ATOM 1317 CG2 ILE A 520 0.953 -9.855 5.168 1.00 0.00 C ATOM 1318 CD1 ILE A 520 3.343 -11.531 6.343 1.00 0.00 C ATOM 0 H ILE A 520 2.515 -12.530 2.393 1.00 0.00 H new ATOM 0 HA ILE A 520 1.012 -12.562 4.959 1.00 0.00 H new ATOM 0 HB ILE A 520 2.063 -10.262 3.341 1.00 0.00 H new ATOM 0 HG12 ILE A 520 3.981 -11.267 4.314 1.00 0.00 H new ATOM 0 HG13 ILE A 520 3.640 -9.770 5.158 1.00 0.00 H new ATOM 0 HG21 ILE A 520 1.424 -8.894 5.374 1.00 0.00 H new ATOM 0 HG22 ILE A 520 0.021 -9.694 4.626 1.00 0.00 H new ATOM 0 HG23 ILE A 520 0.742 -10.365 6.108 1.00 0.00 H new ATOM 0 HD11 ILE A 520 4.364 -11.513 6.724 1.00 0.00 H new ATOM 0 HD12 ILE A 520 2.680 -11.044 7.058 1.00 0.00 H new ATOM 0 HD13 ILE A 520 3.027 -12.564 6.201 1.00 0.00 H new ATOM 1330 N LYS A 521 -1.170 -12.221 3.839 1.00 0.00 N ATOM 1331 CA LYS A 521 -2.477 -12.363 3.188 1.00 0.00 C ATOM 1332 C LYS A 521 -3.520 -11.389 3.770 1.00 0.00 C ATOM 1333 O LYS A 521 -3.573 -11.187 4.986 1.00 0.00 O ATOM 1334 CB LYS A 521 -2.928 -13.830 3.353 1.00 0.00 C ATOM 1335 CG LYS A 521 -1.925 -14.908 2.892 1.00 0.00 C ATOM 1336 CD LYS A 521 -1.505 -14.810 1.418 1.00 0.00 C ATOM 1337 CE LYS A 521 -0.465 -15.896 1.118 1.00 0.00 C ATOM 1338 NZ LYS A 521 0.053 -15.790 -0.269 1.00 0.00 N ATOM 0 H LYS A 521 -1.211 -12.360 4.849 1.00 0.00 H new ATOM 0 HA LYS A 521 -2.388 -12.111 2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 521 -3.156 -14.002 4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 521 -3.857 -13.967 2.799 1.00 0.00 H new ATOM 0 HG2 LYS A 521 -1.032 -14.843 3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 521 -2.364 -15.890 3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 521 -2.374 -14.932 0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 521 -1.089 -13.824 1.210 1.00 0.00 H new ATOM 0 HE2 LYS A 521 0.362 -15.813 1.823 1.00 0.00 H new ATOM 0 HE3 LYS A 521 -0.912 -16.879 1.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 521 0.703 -16.580 -0.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 521 -0.741 -15.826 -0.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 521 0.561 -14.889 -0.382 1.00 0.00 H new ATOM 1352 N ASP A 522 -4.345 -10.791 2.898 1.00 0.00 N ATOM 1353 CA ASP A 522 -5.462 -9.875 3.263 1.00 0.00 C ATOM 1354 C ASP A 522 -4.996 -8.657 4.102 1.00 0.00 C ATOM 1355 O ASP A 522 -5.702 -8.169 4.985 1.00 0.00 O ATOM 1356 CB ASP A 522 -6.586 -10.697 3.934 1.00 0.00 C ATOM 1357 CG ASP A 522 -7.914 -9.928 4.072 1.00 0.00 C ATOM 1358 OD1 ASP A 522 -8.357 -9.299 3.081 1.00 0.00 O ATOM 1359 OD2 ASP A 522 -8.541 -10.004 5.157 1.00 0.00 O ATOM 0 H ASP A 522 -4.261 -10.928 1.891 1.00 0.00 H new ATOM 0 HA ASP A 522 -5.864 -9.426 2.355 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -6.759 -11.603 3.353 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -6.254 -11.012 4.923 1.00 0.00 H new ATOM 1364 N LYS A 523 -3.778 -8.168 3.844 1.00 0.00 N ATOM 1365 CA LYS A 523 -3.157 -7.066 4.586 1.00 0.00 C ATOM 1366 C LYS A 523 -3.870 -5.726 4.297 1.00 0.00 C ATOM 1367 O LYS A 523 -3.957 -5.361 3.116 1.00 0.00 O ATOM 1368 CB LYS A 523 -1.671 -6.986 4.182 1.00 0.00 C ATOM 1369 CG LYS A 523 -0.862 -5.963 4.996 1.00 0.00 C ATOM 1370 CD LYS A 523 -0.532 -6.431 6.419 1.00 0.00 C ATOM 1371 CE LYS A 523 0.326 -5.369 7.119 1.00 0.00 C ATOM 1372 NZ LYS A 523 0.643 -5.745 8.524 1.00 0.00 N ATOM 0 H LYS A 523 -3.185 -8.534 3.099 1.00 0.00 H new ATOM 0 HA LYS A 523 -3.245 -7.254 5.656 1.00 0.00 H new ATOM 0 HB2 LYS A 523 -1.218 -7.970 4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 523 -1.605 -6.730 3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 523 0.067 -5.746 4.469 1.00 0.00 H new ATOM 0 HG3 LYS A 523 -1.423 -5.030 5.051 1.00 0.00 H new ATOM 0 HD2 LYS A 523 -1.451 -6.600 6.980 1.00 0.00 H new ATOM 0 HD3 LYS A 523 0.001 -7.381 6.387 1.00 0.00 H new ATOM 0 HE2 LYS A 523 1.253 -5.228 6.563 1.00 0.00 H new ATOM 0 HE3 LYS A 523 -0.200 -4.414 7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 523 1.224 -5.001 8.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 523 -0.240 -5.854 9.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 523 1.167 -6.643 8.533 1.00 0.00 H new ATOM 1386 N PRO A 524 -4.323 -4.971 5.320 1.00 0.00 N ATOM 1387 CA PRO A 524 -4.807 -3.609 5.154 1.00 0.00 C ATOM 1388 C PRO A 524 -3.612 -2.652 5.080 1.00 0.00 C ATOM 1389 O PRO A 524 -2.616 -2.832 5.782 1.00 0.00 O ATOM 1390 CB PRO A 524 -5.684 -3.319 6.373 1.00 0.00 C ATOM 1391 CG PRO A 524 -5.099 -4.215 7.468 1.00 0.00 C ATOM 1392 CD PRO A 524 -4.340 -5.326 6.732 1.00 0.00 C ATOM 0 HA PRO A 524 -5.380 -3.479 4.236 1.00 0.00 H new ATOM 0 HB2 PRO A 524 -5.643 -2.267 6.654 1.00 0.00 H new ATOM 0 HB3 PRO A 524 -6.730 -3.557 6.179 1.00 0.00 H new ATOM 0 HG2 PRO A 524 -4.432 -3.651 8.121 1.00 0.00 H new ATOM 0 HG3 PRO A 524 -5.887 -4.629 8.098 1.00 0.00 H new ATOM 0 HD2 PRO A 524 -3.325 -5.420 7.118 1.00 0.00 H new ATOM 0 HD3 PRO A 524 -4.828 -6.289 6.881 1.00 0.00 H new ATOM 1400 N VAL A 525 -3.725 -1.628 4.239 1.00 0.00 N ATOM 1401 CA VAL A 525 -2.669 -0.637 3.978 1.00 0.00 C ATOM 1402 C VAL A 525 -3.242 0.775 4.000 1.00 0.00 C ATOM 1403 O VAL A 525 -4.310 1.030 3.451 1.00 0.00 O ATOM 1404 CB VAL A 525 -1.914 -0.908 2.657 1.00 0.00 C ATOM 1405 CG1 VAL A 525 -0.929 -2.067 2.860 1.00 0.00 C ATOM 1406 CG2 VAL A 525 -2.825 -1.200 1.448 1.00 0.00 C ATOM 0 H VAL A 525 -4.575 -1.454 3.702 1.00 0.00 H new ATOM 0 HA VAL A 525 -1.937 -0.731 4.780 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.389 0.016 2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -0.396 -2.259 1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -0.214 -1.805 3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -1.476 -2.962 3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -2.212 -1.378 0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -3.430 -2.083 1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -3.478 -0.346 1.270 1.00 0.00 H new ATOM 1416 N GLN A 526 -2.535 1.674 4.682 1.00 0.00 N ATOM 1417 CA GLN A 526 -2.920 3.061 4.924 1.00 0.00 C ATOM 1418 C GLN A 526 -2.631 3.899 3.679 1.00 0.00 C ATOM 1419 O GLN A 526 -1.506 3.901 3.187 1.00 0.00 O ATOM 1420 CB GLN A 526 -2.117 3.559 6.135 1.00 0.00 C ATOM 1421 CG GLN A 526 -2.551 4.949 6.619 1.00 0.00 C ATOM 1422 CD GLN A 526 -1.696 5.393 7.805 1.00 0.00 C ATOM 1423 OE1 GLN A 526 -0.750 6.158 7.672 1.00 0.00 O ATOM 1424 NE2 GLN A 526 -1.985 4.933 9.007 1.00 0.00 N ATOM 0 H GLN A 526 -1.634 1.443 5.101 1.00 0.00 H new ATOM 0 HA GLN A 526 -3.986 3.146 5.134 1.00 0.00 H new ATOM 0 HB2 GLN A 526 -2.226 2.846 6.953 1.00 0.00 H new ATOM 0 HB3 GLN A 526 -1.059 3.586 5.875 1.00 0.00 H new ATOM 0 HG2 GLN A 526 -2.458 5.669 5.806 1.00 0.00 H new ATOM 0 HG3 GLN A 526 -3.602 4.928 6.908 1.00 0.00 H new ATOM 0 HE21 GLN A 526 -2.770 4.295 9.134 1.00 0.00 H new ATOM 0 HE22 GLN A 526 -1.423 5.216 9.810 1.00 0.00 H new ATOM 1433 N ILE A 527 -3.630 4.623 3.175 1.00 0.00 N ATOM 1434 CA ILE A 527 -3.576 5.405 1.931 1.00 0.00 C ATOM 1435 C ILE A 527 -3.719 6.891 2.288 1.00 0.00 C ATOM 1436 O ILE A 527 -4.629 7.261 3.035 1.00 0.00 O ATOM 1437 CB ILE A 527 -4.718 4.964 0.976 1.00 0.00 C ATOM 1438 CG1 ILE A 527 -4.833 3.436 0.782 1.00 0.00 C ATOM 1439 CG2 ILE A 527 -4.607 5.646 -0.399 1.00 0.00 C ATOM 1440 CD1 ILE A 527 -3.585 2.744 0.225 1.00 0.00 C ATOM 0 H ILE A 527 -4.537 4.686 3.637 1.00 0.00 H new ATOM 0 HA ILE A 527 -2.627 5.238 1.422 1.00 0.00 H new ATOM 0 HB ILE A 527 -5.629 5.290 1.478 1.00 0.00 H new ATOM 0 HG12 ILE A 527 -5.079 2.983 1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 527 -5.668 3.235 0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 527 -5.424 5.311 -1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 527 -4.663 6.727 -0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 527 -3.655 5.383 -0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 527 -3.774 1.675 0.129 1.00 0.00 H new ATOM 0 HD12 ILE A 527 -3.345 3.160 -0.754 1.00 0.00 H new ATOM 0 HD13 ILE A 527 -2.747 2.904 0.903 1.00 0.00 H new ATOM 1452 N ARG A 528 -2.851 7.749 1.743 1.00 0.00 N ATOM 1453 CA ARG A 528 -2.901 9.206 1.949 1.00 0.00 C ATOM 1454 C ARG A 528 -2.558 9.952 0.645 1.00 0.00 C ATOM 1455 O ARG A 528 -1.373 10.060 0.314 1.00 0.00 O ATOM 1456 CB ARG A 528 -1.983 9.633 3.118 1.00 0.00 C ATOM 1457 CG ARG A 528 -2.522 9.199 4.493 1.00 0.00 C ATOM 1458 CD ARG A 528 -1.730 9.777 5.673 1.00 0.00 C ATOM 1459 NE ARG A 528 -1.923 11.236 5.811 1.00 0.00 N ATOM 1460 CZ ARG A 528 -1.025 12.188 5.578 1.00 0.00 C ATOM 1461 NH1 ARG A 528 0.192 11.939 5.149 1.00 0.00 N ATOM 1462 NH2 ARG A 528 -1.317 13.452 5.771 1.00 0.00 N ATOM 0 H ARG A 528 -2.084 7.452 1.139 1.00 0.00 H new ATOM 0 HA ARG A 528 -3.919 9.481 2.225 1.00 0.00 H new ATOM 0 HB2 ARG A 528 -0.992 9.204 2.970 1.00 0.00 H new ATOM 0 HB3 ARG A 528 -1.867 10.717 3.105 1.00 0.00 H new ATOM 0 HG2 ARG A 528 -3.564 9.508 4.579 1.00 0.00 H new ATOM 0 HG3 ARG A 528 -2.506 8.111 4.553 1.00 0.00 H new ATOM 0 HD2 ARG A 528 -2.039 9.282 6.594 1.00 0.00 H new ATOM 0 HD3 ARG A 528 -0.670 9.563 5.537 1.00 0.00 H new ATOM 0 HE ARG A 528 -2.845 11.546 6.118 1.00 0.00 H new ATOM 0 HH11 ARG A 528 0.486 10.977 4.979 1.00 0.00 H new ATOM 0 HH12 ARG A 528 0.843 12.708 4.986 1.00 0.00 H new ATOM 0 HH21 ARG A 528 -2.244 13.716 6.104 1.00 0.00 H new ATOM 0 HH22 ARG A 528 -0.617 14.171 5.588 1.00 0.00 H new ATOM 1476 N PRO A 529 -3.562 10.453 -0.108 1.00 0.00 N ATOM 1477 CA PRO A 529 -3.346 11.304 -1.276 1.00 0.00 C ATOM 1478 C PRO A 529 -2.511 12.537 -0.910 1.00 0.00 C ATOM 1479 O PRO A 529 -2.742 13.162 0.126 1.00 0.00 O ATOM 1480 CB PRO A 529 -4.742 11.678 -1.789 1.00 0.00 C ATOM 1481 CG PRO A 529 -5.608 10.514 -1.311 1.00 0.00 C ATOM 1482 CD PRO A 529 -4.984 10.169 0.039 1.00 0.00 C ATOM 0 HA PRO A 529 -2.779 10.790 -2.052 1.00 0.00 H new ATOM 0 HB2 PRO A 529 -5.081 12.629 -1.378 1.00 0.00 H new ATOM 0 HB3 PRO A 529 -4.760 11.775 -2.874 1.00 0.00 H new ATOM 0 HG2 PRO A 529 -6.655 10.801 -1.212 1.00 0.00 H new ATOM 0 HG3 PRO A 529 -5.572 9.671 -2.002 1.00 0.00 H new ATOM 0 HD2 PRO A 529 -5.423 10.765 0.839 1.00 0.00 H new ATOM 0 HD3 PRO A 529 -5.151 9.122 0.293 1.00 0.00 H new ATOM 1490 N TRP A 530 -1.518 12.868 -1.738 1.00 0.00 N ATOM 1491 CA TRP A 530 -0.501 13.872 -1.415 1.00 0.00 C ATOM 1492 C TRP A 530 -1.025 15.312 -1.493 1.00 0.00 C ATOM 1493 O TRP A 530 -1.495 15.759 -2.541 1.00 0.00 O ATOM 1494 CB TRP A 530 0.686 13.675 -2.360 1.00 0.00 C ATOM 1495 CG TRP A 530 1.860 14.567 -2.113 1.00 0.00 C ATOM 1496 CD1 TRP A 530 2.127 15.717 -2.772 1.00 0.00 C ATOM 1497 CD2 TRP A 530 2.946 14.394 -1.153 1.00 0.00 C ATOM 1498 NE1 TRP A 530 3.302 16.263 -2.296 1.00 0.00 N ATOM 1499 CE2 TRP A 530 3.855 15.484 -1.300 1.00 0.00 C ATOM 1500 CE3 TRP A 530 3.263 13.418 -0.183 1.00 0.00 C ATOM 1501 CZ2 TRP A 530 5.024 15.595 -0.533 1.00 0.00 C ATOM 1502 CZ3 TRP A 530 4.433 13.521 0.595 1.00 0.00 C ATOM 1503 CH2 TRP A 530 5.314 14.603 0.420 1.00 0.00 C ATOM 0 H TRP A 530 -1.396 12.444 -2.658 1.00 0.00 H new ATOM 0 HA TRP A 530 -0.198 13.727 -0.378 1.00 0.00 H new ATOM 0 HB2 TRP A 530 1.017 12.639 -2.288 1.00 0.00 H new ATOM 0 HB3 TRP A 530 0.343 13.830 -3.383 1.00 0.00 H new ATOM 0 HD1 TRP A 530 1.514 16.144 -3.552 1.00 0.00 H new ATOM 0 HE1 TRP A 530 3.710 17.133 -2.638 1.00 0.00 H new ATOM 0 HE3 TRP A 530 2.598 12.580 -0.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 530 5.693 16.432 -0.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 530 4.655 12.763 1.332 1.00 0.00 H new ATOM 0 HH2 TRP A 530 6.212 14.672 1.017 1.00 0.00 H new