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 133:sc= 0.881 USER MOD Set 1.2: A 519 THR OG1 : rot 180:sc= 0.122 USER MOD Set 2.1: A 512 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 526 GLN : amide:sc= 0.689 K(o=0.69,f=-2.9!) USER MOD Single : A 442 LYS NZ :NH3+ -143:sc= 0.426 (180deg=0.0522) USER MOD Single : A 458 THR OG1 : rot 69:sc= 1.2 USER MOD Single : A 460 SER OG : rot 72:sc= 1.26 USER MOD Single : A 486 TYR OH : rot 180:sc= 0 USER MOD Single : A 492 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot -69:sc= 0.418 USER MOD Single : A 498 GLN : amide:sc= 0.436 X(o=0.44,f=-0.013) USER MOD Single : A 504 CYS SG : rot 73:sc= 0.583 USER MOD Single : A 514 CYS SG : rot 180:sc= 0 USER MOD Single : A 516 SER OG : rot 180:sc= 0.558 USER MOD Single : A 521 LYS NZ :NH3+ 173:sc= 1.21 (180deg=1.17) USER MOD Single : A 523 LYS NZ :NH3+ -178:sc= 0.969 (180deg=0.965) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 441 -0.852 13.788 -8.494 1.00 0.00 N ATOM 80 CA ARG A 441 -1.166 12.359 -8.661 1.00 0.00 C ATOM 81 C ARG A 441 -0.323 11.436 -7.769 1.00 0.00 C ATOM 82 O ARG A 441 -0.424 10.210 -7.860 1.00 0.00 O ATOM 83 CB ARG A 441 -1.033 11.977 -10.139 1.00 0.00 C ATOM 84 CG ARG A 441 -2.053 12.750 -10.992 1.00 0.00 C ATOM 85 CD ARG A 441 -2.189 12.189 -12.406 1.00 0.00 C ATOM 86 NE ARG A 441 -0.971 12.378 -13.208 1.00 0.00 N ATOM 87 CZ ARG A 441 -0.804 13.212 -14.230 1.00 0.00 C ATOM 88 NH1 ARG A 441 -1.759 14.002 -14.678 1.00 0.00 N ATOM 89 NH2 ARG A 441 0.366 13.261 -14.831 1.00 0.00 N ATOM 0 HA ARG A 441 -2.195 12.213 -8.333 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -0.023 12.193 -10.486 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -1.189 10.905 -10.259 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.025 12.723 -10.500 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -1.753 13.796 -11.049 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.422 11.126 -12.350 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -3.028 12.673 -12.906 1.00 0.00 H new ATOM 0 HE ARG A 441 -0.166 11.807 -12.952 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -2.678 13.992 -14.237 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -1.579 14.624 -15.466 1.00 0.00 H new ATOM 0 HH21 ARG A 441 1.129 12.664 -14.511 1.00 0.00 H new ATOM 0 HH22 ARG A 441 0.510 13.896 -15.616 1.00 0.00 H new ATOM 103 N LYS A 442 0.520 12.012 -6.912 1.00 0.00 N ATOM 104 CA LYS A 442 1.274 11.296 -5.879 1.00 0.00 C ATOM 105 C LYS A 442 0.339 10.800 -4.754 1.00 0.00 C ATOM 106 O LYS A 442 -0.521 11.547 -4.289 1.00 0.00 O ATOM 107 CB LYS A 442 2.389 12.236 -5.381 1.00 0.00 C ATOM 108 CG LYS A 442 3.289 11.633 -4.290 1.00 0.00 C ATOM 109 CD LYS A 442 4.407 12.621 -3.926 1.00 0.00 C ATOM 110 CE LYS A 442 5.259 12.076 -2.773 1.00 0.00 C ATOM 111 NZ LYS A 442 6.306 13.042 -2.351 1.00 0.00 N ATOM 0 H LYS A 442 0.703 13.015 -6.916 1.00 0.00 H new ATOM 0 HA LYS A 442 1.734 10.394 -6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 442 3.010 12.524 -6.229 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.933 13.148 -4.996 1.00 0.00 H new ATOM 0 HG2 LYS A 442 2.696 11.400 -3.406 1.00 0.00 H new ATOM 0 HG3 LYS A 442 3.721 10.695 -4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 442 5.037 12.801 -4.797 1.00 0.00 H new ATOM 0 HD3 LYS A 442 3.973 13.580 -3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 442 4.615 11.845 -1.924 1.00 0.00 H new ATOM 0 HE3 LYS A 442 5.730 11.142 -3.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 7.172 12.526 -2.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 6.510 13.697 -3.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 5.970 13.581 -1.528 1.00 0.00 H new ATOM 125 N VAL A 443 0.511 9.556 -4.299 1.00 0.00 N ATOM 126 CA VAL A 443 -0.254 8.957 -3.186 1.00 0.00 C ATOM 127 C VAL A 443 0.667 8.095 -2.318 1.00 0.00 C ATOM 128 O VAL A 443 1.258 7.136 -2.807 1.00 0.00 O ATOM 129 CB VAL A 443 -1.451 8.109 -3.693 1.00 0.00 C ATOM 130 CG1 VAL A 443 -2.251 7.523 -2.517 1.00 0.00 C ATOM 131 CG2 VAL A 443 -2.413 8.900 -4.597 1.00 0.00 C ATOM 0 H VAL A 443 1.199 8.918 -4.698 1.00 0.00 H new ATOM 0 HA VAL A 443 -0.658 9.775 -2.590 1.00 0.00 H new ATOM 0 HB VAL A 443 -1.010 7.308 -4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -3.084 6.934 -2.901 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -1.602 6.886 -1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -2.636 8.334 -1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -3.228 8.251 -4.918 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -2.820 9.746 -4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.874 9.264 -5.471 1.00 0.00 H new ATOM 141 N PHE A 444 0.779 8.425 -1.029 1.00 0.00 N ATOM 142 CA PHE A 444 1.482 7.616 -0.029 1.00 0.00 C ATOM 143 C PHE A 444 0.735 6.302 0.250 1.00 0.00 C ATOM 144 O PHE A 444 -0.492 6.303 0.375 1.00 0.00 O ATOM 145 CB PHE A 444 1.583 8.422 1.275 1.00 0.00 C ATOM 146 CG PHE A 444 2.118 7.636 2.459 1.00 0.00 C ATOM 147 CD1 PHE A 444 3.506 7.485 2.635 1.00 0.00 C ATOM 148 CD2 PHE A 444 1.228 7.013 3.361 1.00 0.00 C ATOM 149 CE1 PHE A 444 4.003 6.728 3.709 1.00 0.00 C ATOM 150 CE2 PHE A 444 1.728 6.244 4.426 1.00 0.00 C ATOM 151 CZ PHE A 444 3.115 6.102 4.603 1.00 0.00 C ATOM 0 H PHE A 444 0.376 9.279 -0.643 1.00 0.00 H new ATOM 0 HA PHE A 444 2.473 7.372 -0.412 1.00 0.00 H new ATOM 0 HB2 PHE A 444 2.228 9.284 1.106 1.00 0.00 H new ATOM 0 HB3 PHE A 444 0.595 8.807 1.527 1.00 0.00 H new ATOM 0 HD1 PHE A 444 4.191 7.952 1.943 1.00 0.00 H new ATOM 0 HD2 PHE A 444 0.162 7.128 3.232 1.00 0.00 H new ATOM 0 HE1 PHE A 444 5.069 6.626 3.849 1.00 0.00 H new ATOM 0 HE2 PHE A 444 1.045 5.761 5.110 1.00 0.00 H new ATOM 0 HZ PHE A 444 3.498 5.514 5.423 1.00 0.00 H new ATOM 161 N VAL A 445 1.485 5.211 0.431 1.00 0.00 N ATOM 162 CA VAL A 445 0.986 3.916 0.914 1.00 0.00 C ATOM 163 C VAL A 445 1.913 3.400 2.015 1.00 0.00 C ATOM 164 O VAL A 445 3.118 3.298 1.797 1.00 0.00 O ATOM 165 CB VAL A 445 0.884 2.875 -0.218 1.00 0.00 C ATOM 166 CG1 VAL A 445 0.302 1.541 0.281 1.00 0.00 C ATOM 167 CG2 VAL A 445 0.015 3.386 -1.369 1.00 0.00 C ATOM 0 H VAL A 445 2.487 5.202 0.240 1.00 0.00 H new ATOM 0 HA VAL A 445 -0.020 4.066 1.306 1.00 0.00 H new ATOM 0 HB VAL A 445 1.902 2.710 -0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 445 0.247 0.835 -0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 445 0.944 1.134 1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.698 1.708 0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -0.036 2.628 -2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -0.989 3.596 -1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 445 0.451 4.298 -1.776 1.00 0.00 H new ATOM 177 N GLY A 446 1.352 3.080 3.184 1.00 0.00 N ATOM 178 CA GLY A 446 2.078 2.604 4.371 1.00 0.00 C ATOM 179 C GLY A 446 1.523 1.299 4.941 1.00 0.00 C ATOM 180 O GLY A 446 0.321 1.046 4.876 1.00 0.00 O ATOM 0 H GLY A 446 0.346 3.146 3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 446 3.127 2.461 4.113 1.00 0.00 H new ATOM 0 HA3 GLY A 446 2.041 3.373 5.142 1.00 0.00 H new ATOM 184 N GLY A 447 2.397 0.480 5.531 1.00 0.00 N ATOM 185 CA GLY A 447 2.059 -0.831 6.109 1.00 0.00 C ATOM 186 C GLY A 447 2.188 -1.998 5.125 1.00 0.00 C ATOM 187 O GLY A 447 1.656 -3.076 5.394 1.00 0.00 O ATOM 0 H GLY A 447 3.386 0.713 5.624 1.00 0.00 H new ATOM 0 HA2 GLY A 447 2.708 -1.017 6.965 1.00 0.00 H new ATOM 0 HA3 GLY A 447 1.037 -0.798 6.485 1.00 0.00 H new ATOM 191 N LEU A 448 2.873 -1.799 3.993 1.00 0.00 N ATOM 192 CA LEU A 448 3.105 -2.806 2.948 1.00 0.00 C ATOM 193 C LEU A 448 3.777 -4.076 3.526 1.00 0.00 C ATOM 194 O LEU A 448 4.636 -3.942 4.406 1.00 0.00 O ATOM 195 CB LEU A 448 3.985 -2.182 1.844 1.00 0.00 C ATOM 196 CG LEU A 448 3.288 -1.087 1.008 1.00 0.00 C ATOM 197 CD1 LEU A 448 4.317 -0.324 0.169 1.00 0.00 C ATOM 198 CD2 LEU A 448 2.230 -1.687 0.068 1.00 0.00 C ATOM 0 H LEU A 448 3.297 -0.899 3.770 1.00 0.00 H new ATOM 0 HA LEU A 448 2.146 -3.111 2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 448 4.876 -1.756 2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 448 4.320 -2.974 1.174 1.00 0.00 H new ATOM 0 HG LEU A 448 2.797 -0.408 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 448 3.812 0.445 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 448 5.049 0.143 0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 448 4.824 -1.016 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 448 1.759 -0.889 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 448 2.707 -2.391 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 448 1.474 -2.207 0.656 1.00 0.00 H new ATOM 210 N PRO A 449 3.417 -5.290 3.051 1.00 0.00 N ATOM 211 CA PRO A 449 4.046 -6.546 3.466 1.00 0.00 C ATOM 212 C PRO A 449 5.580 -6.535 3.313 1.00 0.00 C ATOM 213 O PRO A 449 6.094 -5.851 2.425 1.00 0.00 O ATOM 214 CB PRO A 449 3.420 -7.631 2.589 1.00 0.00 C ATOM 215 CG PRO A 449 2.043 -7.070 2.254 1.00 0.00 C ATOM 216 CD PRO A 449 2.317 -5.573 2.132 1.00 0.00 C ATOM 0 HA PRO A 449 3.872 -6.718 4.528 1.00 0.00 H new ATOM 0 HB2 PRO A 449 4.010 -7.810 1.690 1.00 0.00 H new ATOM 0 HB3 PRO A 449 3.348 -8.582 3.117 1.00 0.00 H new ATOM 0 HG2 PRO A 449 1.649 -7.487 1.327 1.00 0.00 H new ATOM 0 HG3 PRO A 449 1.315 -7.287 3.036 1.00 0.00 H new ATOM 0 HD2 PRO A 449 2.584 -5.307 1.109 1.00 0.00 H new ATOM 0 HD3 PRO A 449 1.432 -4.992 2.391 1.00 0.00 H new ATOM 224 N PRO A 450 6.321 -7.302 4.137 1.00 0.00 N ATOM 225 CA PRO A 450 7.779 -7.218 4.235 1.00 0.00 C ATOM 226 C PRO A 450 8.544 -7.849 3.054 1.00 0.00 C ATOM 227 O PRO A 450 9.774 -7.826 3.057 1.00 0.00 O ATOM 228 CB PRO A 450 8.121 -7.904 5.566 1.00 0.00 C ATOM 229 CG PRO A 450 7.024 -8.958 5.701 1.00 0.00 C ATOM 230 CD PRO A 450 5.805 -8.234 5.133 1.00 0.00 C ATOM 0 HA PRO A 450 8.096 -6.176 4.196 1.00 0.00 H new ATOM 0 HB2 PRO A 450 9.113 -8.355 5.545 1.00 0.00 H new ATOM 0 HB3 PRO A 450 8.109 -7.200 6.398 1.00 0.00 H new ATOM 0 HG2 PRO A 450 7.258 -9.863 5.140 1.00 0.00 H new ATOM 0 HG3 PRO A 450 6.873 -9.257 6.738 1.00 0.00 H new ATOM 0 HD2 PRO A 450 5.107 -8.939 4.683 1.00 0.00 H new ATOM 0 HD3 PRO A 450 5.263 -7.706 5.918 1.00 0.00 H new ATOM 238 N ASP A 451 7.850 -8.400 2.048 1.00 0.00 N ATOM 239 CA ASP A 451 8.459 -9.093 0.898 1.00 0.00 C ATOM 240 C ASP A 451 7.742 -8.792 -0.437 1.00 0.00 C ATOM 241 O ASP A 451 7.902 -9.523 -1.414 1.00 0.00 O ATOM 242 CB ASP A 451 8.531 -10.600 1.209 1.00 0.00 C ATOM 243 CG ASP A 451 9.531 -11.361 0.319 1.00 0.00 C ATOM 244 OD1 ASP A 451 10.705 -10.932 0.219 1.00 0.00 O ATOM 245 OD2 ASP A 451 9.162 -12.431 -0.223 1.00 0.00 O ATOM 0 H ASP A 451 6.831 -8.377 2.008 1.00 0.00 H new ATOM 0 HA ASP A 451 9.470 -8.711 0.755 1.00 0.00 H new ATOM 0 HB2 ASP A 451 8.810 -10.735 2.254 1.00 0.00 H new ATOM 0 HB3 ASP A 451 7.540 -11.037 1.085 1.00 0.00 H new ATOM 250 N ILE A 452 6.929 -7.728 -0.483 1.00 0.00 N ATOM 251 CA ILE A 452 6.201 -7.310 -1.692 1.00 0.00 C ATOM 252 C ILE A 452 7.110 -6.531 -2.656 1.00 0.00 C ATOM 253 O ILE A 452 7.821 -5.617 -2.238 1.00 0.00 O ATOM 254 CB ILE A 452 4.915 -6.540 -1.306 1.00 0.00 C ATOM 255 CG1 ILE A 452 3.947 -6.533 -2.502 1.00 0.00 C ATOM 256 CG2 ILE A 452 5.174 -5.116 -0.790 1.00 0.00 C ATOM 257 CD1 ILE A 452 2.560 -5.968 -2.192 1.00 0.00 C ATOM 0 H ILE A 452 6.756 -7.128 0.323 1.00 0.00 H new ATOM 0 HA ILE A 452 5.886 -8.199 -2.239 1.00 0.00 H new ATOM 0 HB ILE A 452 4.464 -7.068 -0.465 1.00 0.00 H new ATOM 0 HG12 ILE A 452 4.391 -5.950 -3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 452 3.836 -7.553 -2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 452 4.225 -4.641 -0.540 1.00 0.00 H new ATOM 0 HG22 ILE A 452 5.803 -5.160 0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 452 5.678 -4.535 -1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 452 1.944 -6.001 -3.091 1.00 0.00 H new ATOM 0 HD12 ILE A 452 2.091 -6.564 -1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 452 2.655 -4.936 -1.855 1.00 0.00 H new ATOM 269 N ASP A 453 7.106 -6.886 -3.940 1.00 0.00 N ATOM 270 CA ASP A 453 7.942 -6.229 -4.959 1.00 0.00 C ATOM 271 C ASP A 453 7.237 -5.063 -5.691 1.00 0.00 C ATOM 272 O ASP A 453 6.024 -4.867 -5.579 1.00 0.00 O ATOM 273 CB ASP A 453 8.561 -7.270 -5.908 1.00 0.00 C ATOM 274 CG ASP A 453 7.579 -7.986 -6.848 1.00 0.00 C ATOM 275 OD1 ASP A 453 6.830 -7.288 -7.567 1.00 0.00 O ATOM 276 OD2 ASP A 453 7.636 -9.236 -6.938 1.00 0.00 O ATOM 0 H ASP A 453 6.524 -7.638 -4.310 1.00 0.00 H new ATOM 0 HA ASP A 453 8.763 -5.742 -4.433 1.00 0.00 H new ATOM 0 HB2 ASP A 453 9.320 -6.775 -6.514 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.073 -8.022 -5.308 1.00 0.00 H new ATOM 281 N GLU A 454 8.011 -4.271 -6.441 1.00 0.00 N ATOM 282 CA GLU A 454 7.529 -3.096 -7.183 1.00 0.00 C ATOM 283 C GLU A 454 6.364 -3.419 -8.143 1.00 0.00 C ATOM 284 O GLU A 454 5.405 -2.650 -8.240 1.00 0.00 O ATOM 285 CB GLU A 454 8.701 -2.492 -7.976 1.00 0.00 C ATOM 286 CG GLU A 454 8.384 -1.114 -8.572 1.00 0.00 C ATOM 287 CD GLU A 454 9.442 -0.701 -9.605 1.00 0.00 C ATOM 288 OE1 GLU A 454 10.632 -0.577 -9.234 1.00 0.00 O ATOM 289 OE2 GLU A 454 9.089 -0.478 -10.787 1.00 0.00 O ATOM 0 H GLU A 454 9.012 -4.431 -6.553 1.00 0.00 H new ATOM 0 HA GLU A 454 7.143 -2.385 -6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 454 9.568 -2.406 -7.321 1.00 0.00 H new ATOM 0 HB3 GLU A 454 8.976 -3.174 -8.781 1.00 0.00 H new ATOM 0 HG2 GLU A 454 7.401 -1.135 -9.043 1.00 0.00 H new ATOM 0 HG3 GLU A 454 8.340 -0.371 -7.775 1.00 0.00 H new ATOM 296 N ASP A 455 6.413 -4.562 -8.834 1.00 0.00 N ATOM 297 CA ASP A 455 5.386 -4.985 -9.793 1.00 0.00 C ATOM 298 C ASP A 455 4.119 -5.505 -9.092 1.00 0.00 C ATOM 299 O ASP A 455 3.019 -5.309 -9.604 1.00 0.00 O ATOM 300 CB ASP A 455 5.974 -6.034 -10.748 1.00 0.00 C ATOM 301 CG ASP A 455 5.001 -6.394 -11.882 1.00 0.00 C ATOM 302 OD1 ASP A 455 4.785 -5.544 -12.780 1.00 0.00 O ATOM 303 OD2 ASP A 455 4.482 -7.536 -11.894 1.00 0.00 O ATOM 0 H ASP A 455 7.178 -5.230 -8.742 1.00 0.00 H new ATOM 0 HA ASP A 455 5.078 -4.114 -10.372 1.00 0.00 H new ATOM 0 HB2 ASP A 455 6.903 -5.655 -11.175 1.00 0.00 H new ATOM 0 HB3 ASP A 455 6.225 -6.934 -10.187 1.00 0.00 H new ATOM 308 N GLU A 456 4.253 -6.090 -7.898 1.00 0.00 N ATOM 309 CA GLU A 456 3.129 -6.426 -7.021 1.00 0.00 C ATOM 310 C GLU A 456 2.450 -5.168 -6.471 1.00 0.00 C ATOM 311 O GLU A 456 1.221 -5.099 -6.472 1.00 0.00 O ATOM 312 CB GLU A 456 3.583 -7.296 -5.845 1.00 0.00 C ATOM 313 CG GLU A 456 3.767 -8.760 -6.228 1.00 0.00 C ATOM 314 CD GLU A 456 4.297 -9.583 -5.046 1.00 0.00 C ATOM 315 OE1 GLU A 456 5.302 -9.173 -4.420 1.00 0.00 O ATOM 316 OE2 GLU A 456 3.696 -10.643 -4.744 1.00 0.00 O ATOM 0 H GLU A 456 5.160 -6.347 -7.508 1.00 0.00 H new ATOM 0 HA GLU A 456 2.415 -6.982 -7.629 1.00 0.00 H new ATOM 0 HB2 GLU A 456 4.523 -6.907 -5.453 1.00 0.00 H new ATOM 0 HB3 GLU A 456 2.849 -7.225 -5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 456 2.816 -9.173 -6.564 1.00 0.00 H new ATOM 0 HG3 GLU A 456 4.460 -8.835 -7.066 1.00 0.00 H new ATOM 323 N ILE A 457 3.209 -4.149 -6.047 1.00 0.00 N ATOM 324 CA ILE A 457 2.632 -2.854 -5.637 1.00 0.00 C ATOM 325 C ILE A 457 1.932 -2.195 -6.833 1.00 0.00 C ATOM 326 O ILE A 457 0.820 -1.691 -6.680 1.00 0.00 O ATOM 327 CB ILE A 457 3.688 -1.916 -4.999 1.00 0.00 C ATOM 328 CG1 ILE A 457 4.327 -2.536 -3.736 1.00 0.00 C ATOM 329 CG2 ILE A 457 3.037 -0.568 -4.614 1.00 0.00 C ATOM 330 CD1 ILE A 457 5.642 -1.856 -3.333 1.00 0.00 C ATOM 0 H ILE A 457 4.226 -4.193 -5.978 1.00 0.00 H new ATOM 0 HA ILE A 457 1.891 -3.043 -4.860 1.00 0.00 H new ATOM 0 HB ILE A 457 4.470 -1.763 -5.742 1.00 0.00 H new ATOM 0 HG12 ILE A 457 3.621 -2.469 -2.908 1.00 0.00 H new ATOM 0 HG13 ILE A 457 4.512 -3.596 -3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 457 3.787 0.084 -4.167 1.00 0.00 H new ATOM 0 HG22 ILE A 457 2.629 -0.093 -5.506 1.00 0.00 H new ATOM 0 HG23 ILE A 457 2.235 -0.743 -3.897 1.00 0.00 H new ATOM 0 HD11 ILE A 457 6.041 -2.336 -2.440 1.00 0.00 H new ATOM 0 HD12 ILE A 457 6.362 -1.946 -4.146 1.00 0.00 H new ATOM 0 HD13 ILE A 457 5.458 -0.802 -3.127 1.00 0.00 H new ATOM 342 N THR A 458 2.523 -2.265 -8.033 1.00 0.00 N ATOM 343 CA THR A 458 1.913 -1.739 -9.265 1.00 0.00 C ATOM 344 C THR A 458 0.613 -2.465 -9.572 1.00 0.00 C ATOM 345 O THR A 458 -0.409 -1.807 -9.720 1.00 0.00 O ATOM 346 CB THR A 458 2.889 -1.801 -10.449 1.00 0.00 C ATOM 347 OG1 THR A 458 4.078 -1.118 -10.126 1.00 0.00 O ATOM 348 CG2 THR A 458 2.313 -1.126 -11.696 1.00 0.00 C ATOM 0 H THR A 458 3.439 -2.688 -8.179 1.00 0.00 H new ATOM 0 HA THR A 458 1.679 -0.687 -9.102 1.00 0.00 H new ATOM 0 HB THR A 458 3.072 -2.856 -10.652 1.00 0.00 H new ATOM 0 HG1 THR A 458 4.562 -1.614 -9.433 1.00 0.00 H new ATOM 0 HG21 THR A 458 3.034 -1.191 -12.511 1.00 0.00 H new ATOM 0 HG22 THR A 458 1.390 -1.627 -11.987 1.00 0.00 H new ATOM 0 HG23 THR A 458 2.105 -0.078 -11.479 1.00 0.00 H new ATOM 356 N ALA A 459 0.602 -3.798 -9.602 1.00 0.00 N ATOM 357 CA ALA A 459 -0.610 -4.586 -9.841 1.00 0.00 C ATOM 358 C ALA A 459 -1.676 -4.379 -8.746 1.00 0.00 C ATOM 359 O ALA A 459 -2.873 -4.396 -9.038 1.00 0.00 O ATOM 360 CB ALA A 459 -0.211 -6.061 -9.966 1.00 0.00 C ATOM 0 H ALA A 459 1.438 -4.366 -9.461 1.00 0.00 H new ATOM 0 HA ALA A 459 -1.074 -4.247 -10.767 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -1.101 -6.665 -10.144 1.00 0.00 H new ATOM 0 HB2 ALA A 459 0.482 -6.181 -10.799 1.00 0.00 H new ATOM 0 HB3 ALA A 459 0.270 -6.387 -9.044 1.00 0.00 H new ATOM 366 N SER A 460 -1.259 -4.112 -7.507 1.00 0.00 N ATOM 367 CA SER A 460 -2.151 -3.804 -6.381 1.00 0.00 C ATOM 368 C SER A 460 -2.867 -2.448 -6.498 1.00 0.00 C ATOM 369 O SER A 460 -3.842 -2.228 -5.774 1.00 0.00 O ATOM 370 CB SER A 460 -1.392 -3.857 -5.049 1.00 0.00 C ATOM 371 OG SER A 460 -0.894 -5.156 -4.772 1.00 0.00 O ATOM 0 H SER A 460 -0.272 -4.103 -7.250 1.00 0.00 H new ATOM 0 HA SER A 460 -2.921 -4.575 -6.412 1.00 0.00 H new ATOM 0 HB2 SER A 460 -0.563 -3.149 -5.076 1.00 0.00 H new ATOM 0 HB3 SER A 460 -2.054 -3.543 -4.242 1.00 0.00 H new ATOM 0 HG SER A 460 -0.146 -5.355 -5.373 1.00 0.00 H new ATOM 377 N PHE A 461 -2.456 -1.558 -7.414 1.00 0.00 N ATOM 378 CA PHE A 461 -3.139 -0.282 -7.669 1.00 0.00 C ATOM 379 C PHE A 461 -3.454 -0.038 -9.159 1.00 0.00 C ATOM 380 O PHE A 461 -4.178 0.904 -9.482 1.00 0.00 O ATOM 381 CB PHE A 461 -2.338 0.851 -7.009 1.00 0.00 C ATOM 382 CG PHE A 461 -2.376 0.824 -5.488 1.00 0.00 C ATOM 383 CD1 PHE A 461 -1.402 0.113 -4.764 1.00 0.00 C ATOM 384 CD2 PHE A 461 -3.376 1.528 -4.788 1.00 0.00 C ATOM 385 CE1 PHE A 461 -1.429 0.084 -3.359 1.00 0.00 C ATOM 386 CE2 PHE A 461 -3.389 1.522 -3.380 1.00 0.00 C ATOM 387 CZ PHE A 461 -2.425 0.790 -2.666 1.00 0.00 C ATOM 0 H PHE A 461 -1.635 -1.705 -8.002 1.00 0.00 H new ATOM 0 HA PHE A 461 -4.127 -0.317 -7.210 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -1.301 0.790 -7.338 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -2.727 1.808 -7.356 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -0.624 -0.417 -5.294 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -4.133 2.073 -5.332 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -0.686 -0.480 -2.814 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.143 2.082 -2.847 1.00 0.00 H new ATOM 0 HZ PHE A 461 -2.450 0.771 -1.586 1.00 0.00 H new ATOM 397 N ARG A 462 -3.031 -0.931 -10.065 1.00 0.00 N ATOM 398 CA ARG A 462 -3.359 -0.894 -11.501 1.00 0.00 C ATOM 399 C ARG A 462 -4.868 -1.001 -11.780 1.00 0.00 C ATOM 400 O ARG A 462 -5.334 -0.493 -12.804 1.00 0.00 O ATOM 401 CB ARG A 462 -2.558 -1.989 -12.237 1.00 0.00 C ATOM 402 CG ARG A 462 -2.738 -2.019 -13.765 1.00 0.00 C ATOM 403 CD ARG A 462 -2.323 -0.695 -14.422 1.00 0.00 C ATOM 404 NE ARG A 462 -2.644 -0.662 -15.859 1.00 0.00 N ATOM 405 CZ ARG A 462 -3.826 -0.388 -16.404 1.00 0.00 C ATOM 406 NH1 ARG A 462 -4.911 -0.181 -15.683 1.00 0.00 N ATOM 407 NH2 ARG A 462 -3.934 -0.319 -17.712 1.00 0.00 N ATOM 0 H ARG A 462 -2.436 -1.720 -9.815 1.00 0.00 H new ATOM 0 HA ARG A 462 -3.068 0.083 -11.886 1.00 0.00 H new ATOM 0 HB2 ARG A 462 -1.500 -1.853 -12.015 1.00 0.00 H new ATOM 0 HB3 ARG A 462 -2.846 -2.960 -11.834 1.00 0.00 H new ATOM 0 HG2 ARG A 462 -2.145 -2.832 -14.183 1.00 0.00 H new ATOM 0 HG3 ARG A 462 -3.781 -2.230 -14.003 1.00 0.00 H new ATOM 0 HD2 ARG A 462 -2.827 0.131 -13.920 1.00 0.00 H new ATOM 0 HD3 ARG A 462 -1.252 -0.545 -14.287 1.00 0.00 H new ATOM 0 HE ARG A 462 -1.881 -0.871 -16.503 1.00 0.00 H new ATOM 0 HH11 ARG A 462 -4.864 -0.228 -14.665 1.00 0.00 H new ATOM 0 HH12 ARG A 462 -5.797 0.026 -16.143 1.00 0.00 H new ATOM 0 HH21 ARG A 462 -3.115 -0.475 -18.300 1.00 0.00 H new ATOM 0 HH22 ARG A 462 -4.836 -0.109 -18.139 1.00 0.00 H new ATOM 421 N ARG A 463 -5.636 -1.564 -10.838 1.00 0.00 N ATOM 422 CA ARG A 463 -7.110 -1.591 -10.805 1.00 0.00 C ATOM 423 C ARG A 463 -7.789 -0.202 -10.844 1.00 0.00 C ATOM 424 O ARG A 463 -8.990 -0.125 -11.114 1.00 0.00 O ATOM 425 CB ARG A 463 -7.589 -2.422 -9.592 1.00 0.00 C ATOM 426 CG ARG A 463 -6.964 -2.007 -8.245 1.00 0.00 C ATOM 427 CD ARG A 463 -7.528 -2.816 -7.064 1.00 0.00 C ATOM 428 NE ARG A 463 -6.611 -2.762 -5.911 1.00 0.00 N ATOM 429 CZ ARG A 463 -6.737 -3.357 -4.733 1.00 0.00 C ATOM 430 NH1 ARG A 463 -7.829 -3.995 -4.368 1.00 0.00 N ATOM 431 NH2 ARG A 463 -5.720 -3.309 -3.904 1.00 0.00 N ATOM 0 H ARG A 463 -5.227 -2.039 -10.034 1.00 0.00 H new ATOM 0 HA ARG A 463 -7.426 -2.068 -11.733 1.00 0.00 H new ATOM 0 HB2 ARG A 463 -8.673 -2.339 -9.516 1.00 0.00 H new ATOM 0 HB3 ARG A 463 -7.362 -3.472 -9.775 1.00 0.00 H new ATOM 0 HG2 ARG A 463 -5.883 -2.142 -8.292 1.00 0.00 H new ATOM 0 HG3 ARG A 463 -7.145 -0.946 -8.075 1.00 0.00 H new ATOM 0 HD2 ARG A 463 -8.503 -2.421 -6.779 1.00 0.00 H new ATOM 0 HD3 ARG A 463 -7.680 -3.852 -7.366 1.00 0.00 H new ATOM 0 HE ARG A 463 -5.773 -2.194 -6.035 1.00 0.00 H new ATOM 0 HH11 ARG A 463 -8.626 -4.047 -5.003 1.00 0.00 H new ATOM 0 HH12 ARG A 463 -7.878 -4.438 -3.450 1.00 0.00 H new ATOM 0 HH21 ARG A 463 -4.864 -2.824 -4.174 1.00 0.00 H new ATOM 0 HH22 ARG A 463 -5.785 -3.757 -2.990 1.00 0.00 H new ATOM 445 N PHE A 464 -7.038 0.886 -10.630 1.00 0.00 N ATOM 446 CA PHE A 464 -7.513 2.276 -10.696 1.00 0.00 C ATOM 447 C PHE A 464 -7.101 3.016 -11.983 1.00 0.00 C ATOM 448 O PHE A 464 -7.564 4.134 -12.216 1.00 0.00 O ATOM 449 CB PHE A 464 -6.999 3.003 -9.442 1.00 0.00 C ATOM 450 CG PHE A 464 -7.449 2.341 -8.153 1.00 0.00 C ATOM 451 CD1 PHE A 464 -8.822 2.178 -7.898 1.00 0.00 C ATOM 452 CD2 PHE A 464 -6.507 1.801 -7.257 1.00 0.00 C ATOM 453 CE1 PHE A 464 -9.253 1.469 -6.767 1.00 0.00 C ATOM 454 CE2 PHE A 464 -6.939 1.081 -6.128 1.00 0.00 C ATOM 455 CZ PHE A 464 -8.313 0.916 -5.879 1.00 0.00 C ATOM 0 H PHE A 464 -6.047 0.821 -10.398 1.00 0.00 H new ATOM 0 HA PHE A 464 -8.603 2.267 -10.725 1.00 0.00 H new ATOM 0 HB2 PHE A 464 -5.910 3.036 -9.467 1.00 0.00 H new ATOM 0 HB3 PHE A 464 -7.349 4.035 -9.457 1.00 0.00 H new ATOM 0 HD1 PHE A 464 -9.548 2.601 -8.576 1.00 0.00 H new ATOM 0 HD2 PHE A 464 -5.451 1.940 -7.436 1.00 0.00 H new ATOM 0 HE1 PHE A 464 -10.309 1.347 -6.578 1.00 0.00 H new ATOM 0 HE2 PHE A 464 -6.214 0.654 -5.451 1.00 0.00 H new ATOM 0 HZ PHE A 464 -8.645 0.367 -5.010 1.00 0.00 H new ATOM 465 N GLY A 465 -6.254 2.405 -12.818 1.00 0.00 N ATOM 466 CA GLY A 465 -5.603 3.011 -13.987 1.00 0.00 C ATOM 467 C GLY A 465 -4.072 2.890 -13.923 1.00 0.00 C ATOM 468 O GLY A 465 -3.543 2.429 -12.909 1.00 0.00 O ATOM 0 H GLY A 465 -5.990 1.428 -12.692 1.00 0.00 H new ATOM 0 HA2 GLY A 465 -5.967 2.529 -14.894 1.00 0.00 H new ATOM 0 HA3 GLY A 465 -5.881 4.063 -14.051 1.00 0.00 H new ATOM 472 N PRO A 466 -3.351 3.257 -15.001 1.00 0.00 N ATOM 473 CA PRO A 466 -1.902 3.098 -15.094 1.00 0.00 C ATOM 474 C PRO A 466 -1.150 4.076 -14.179 1.00 0.00 C ATOM 475 O PRO A 466 -1.622 5.177 -13.883 1.00 0.00 O ATOM 476 CB PRO A 466 -1.569 3.275 -16.578 1.00 0.00 C ATOM 477 CG PRO A 466 -2.687 4.177 -17.096 1.00 0.00 C ATOM 478 CD PRO A 466 -3.892 3.760 -16.256 1.00 0.00 C ATOM 0 HA PRO A 466 -1.578 2.119 -14.742 1.00 0.00 H new ATOM 0 HB2 PRO A 466 -0.589 3.732 -16.717 1.00 0.00 H new ATOM 0 HB3 PRO A 466 -1.551 2.319 -17.101 1.00 0.00 H new ATOM 0 HG2 PRO A 466 -2.448 5.232 -16.961 1.00 0.00 H new ATOM 0 HG3 PRO A 466 -2.866 4.025 -18.160 1.00 0.00 H new ATOM 0 HD2 PRO A 466 -4.558 4.605 -16.083 1.00 0.00 H new ATOM 0 HD3 PRO A 466 -4.476 2.993 -16.765 1.00 0.00 H new ATOM 486 N LEU A 467 0.036 3.650 -13.728 1.00 0.00 N ATOM 487 CA LEU A 467 0.833 4.296 -12.681 1.00 0.00 C ATOM 488 C LEU A 467 2.311 3.859 -12.707 1.00 0.00 C ATOM 489 O LEU A 467 2.686 2.947 -13.445 1.00 0.00 O ATOM 490 CB LEU A 467 0.193 4.012 -11.292 1.00 0.00 C ATOM 491 CG LEU A 467 0.386 2.589 -10.709 1.00 0.00 C ATOM 492 CD1 LEU A 467 0.166 2.624 -9.191 1.00 0.00 C ATOM 493 CD2 LEU A 467 -0.571 1.555 -11.314 1.00 0.00 C ATOM 0 H LEU A 467 0.484 2.812 -14.098 1.00 0.00 H new ATOM 0 HA LEU A 467 0.829 5.369 -12.873 1.00 0.00 H new ATOM 0 HB2 LEU A 467 0.599 4.729 -10.578 1.00 0.00 H new ATOM 0 HB3 LEU A 467 -0.877 4.206 -11.365 1.00 0.00 H new ATOM 0 HG LEU A 467 1.403 2.285 -10.958 1.00 0.00 H new ATOM 0 HD11 LEU A 467 0.302 1.623 -8.781 1.00 0.00 H new ATOM 0 HD12 LEU A 467 0.885 3.304 -8.735 1.00 0.00 H new ATOM 0 HD13 LEU A 467 -0.846 2.970 -8.978 1.00 0.00 H new ATOM 0 HD21 LEU A 467 -0.385 0.580 -10.864 1.00 0.00 H new ATOM 0 HD22 LEU A 467 -1.601 1.854 -11.119 1.00 0.00 H new ATOM 0 HD23 LEU A 467 -0.409 1.495 -12.390 1.00 0.00 H new ATOM 505 N VAL A 468 3.127 4.479 -11.853 1.00 0.00 N ATOM 506 CA VAL A 468 4.498 4.059 -11.509 1.00 0.00 C ATOM 507 C VAL A 468 4.674 4.113 -9.981 1.00 0.00 C ATOM 508 O VAL A 468 3.925 4.818 -9.304 1.00 0.00 O ATOM 509 CB VAL A 468 5.575 4.861 -12.287 1.00 0.00 C ATOM 510 CG1 VAL A 468 5.893 6.244 -11.726 1.00 0.00 C ATOM 511 CG2 VAL A 468 6.871 4.051 -12.415 1.00 0.00 C ATOM 0 H VAL A 468 2.844 5.325 -11.358 1.00 0.00 H new ATOM 0 HA VAL A 468 4.648 3.027 -11.827 1.00 0.00 H new ATOM 0 HB VAL A 468 5.127 5.034 -13.266 1.00 0.00 H new ATOM 0 HG11 VAL A 468 6.656 6.720 -12.342 1.00 0.00 H new ATOM 0 HG12 VAL A 468 4.990 6.855 -11.731 1.00 0.00 H new ATOM 0 HG13 VAL A 468 6.260 6.147 -10.704 1.00 0.00 H new ATOM 0 HG21 VAL A 468 7.611 4.633 -12.964 1.00 0.00 H new ATOM 0 HG22 VAL A 468 7.255 3.820 -11.421 1.00 0.00 H new ATOM 0 HG23 VAL A 468 6.669 3.124 -12.951 1.00 0.00 H new ATOM 521 N VAL A 469 5.633 3.360 -9.434 1.00 0.00 N ATOM 522 CA VAL A 469 5.855 3.199 -7.983 1.00 0.00 C ATOM 523 C VAL A 469 7.297 3.587 -7.632 1.00 0.00 C ATOM 524 O VAL A 469 8.240 3.187 -8.315 1.00 0.00 O ATOM 525 CB VAL A 469 5.549 1.749 -7.534 1.00 0.00 C ATOM 526 CG1 VAL A 469 5.766 1.558 -6.022 1.00 0.00 C ATOM 527 CG2 VAL A 469 4.096 1.360 -7.866 1.00 0.00 C ATOM 0 H VAL A 469 6.297 2.829 -9.998 1.00 0.00 H new ATOM 0 HA VAL A 469 5.173 3.861 -7.449 1.00 0.00 H new ATOM 0 HB VAL A 469 6.241 1.108 -8.080 1.00 0.00 H new ATOM 0 HG11 VAL A 469 5.540 0.527 -5.749 1.00 0.00 H new ATOM 0 HG12 VAL A 469 6.803 1.780 -5.772 1.00 0.00 H new ATOM 0 HG13 VAL A 469 5.108 2.231 -5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 469 3.910 0.337 -7.539 1.00 0.00 H new ATOM 0 HG22 VAL A 469 3.412 2.035 -7.352 1.00 0.00 H new ATOM 0 HG23 VAL A 469 3.937 1.432 -8.942 1.00 0.00 H new ATOM 537 N ASP A 470 7.455 4.378 -6.568 1.00 0.00 N ATOM 538 CA ASP A 470 8.705 5.027 -6.158 1.00 0.00 C ATOM 539 C ASP A 470 8.805 5.162 -4.622 1.00 0.00 C ATOM 540 O ASP A 470 7.810 5.034 -3.909 1.00 0.00 O ATOM 541 CB ASP A 470 8.777 6.397 -6.859 1.00 0.00 C ATOM 542 CG ASP A 470 10.107 7.129 -6.629 1.00 0.00 C ATOM 543 OD1 ASP A 470 11.169 6.549 -6.955 1.00 0.00 O ATOM 544 OD2 ASP A 470 10.083 8.279 -6.131 1.00 0.00 O ATOM 0 H ASP A 470 6.681 4.594 -5.940 1.00 0.00 H new ATOM 0 HA ASP A 470 9.555 4.414 -6.456 1.00 0.00 H new ATOM 0 HB2 ASP A 470 8.628 6.258 -7.930 1.00 0.00 H new ATOM 0 HB3 ASP A 470 7.959 7.023 -6.502 1.00 0.00 H new ATOM 786 N GLY A 485 8.408 -0.661 4.834 1.00 0.00 N ATOM 787 CA GLY A 485 7.001 -0.978 4.559 1.00 0.00 C ATOM 788 C GLY A 485 6.180 0.196 4.019 1.00 0.00 C ATOM 789 O GLY A 485 4.968 0.215 4.226 1.00 0.00 O ATOM 0 HA2 GLY A 485 6.960 -1.795 3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 485 6.537 -1.338 5.477 1.00 0.00 H new ATOM 793 N TYR A 486 6.789 1.164 3.324 1.00 0.00 N ATOM 794 CA TYR A 486 6.062 2.269 2.677 1.00 0.00 C ATOM 795 C TYR A 486 6.566 2.613 1.262 1.00 0.00 C ATOM 796 O TYR A 486 7.715 2.340 0.907 1.00 0.00 O ATOM 797 CB TYR A 486 6.035 3.509 3.590 1.00 0.00 C ATOM 798 CG TYR A 486 7.326 4.309 3.651 1.00 0.00 C ATOM 799 CD1 TYR A 486 7.585 5.310 2.691 1.00 0.00 C ATOM 800 CD2 TYR A 486 8.263 4.063 4.672 1.00 0.00 C ATOM 801 CE1 TYR A 486 8.790 6.039 2.732 1.00 0.00 C ATOM 802 CE2 TYR A 486 9.468 4.792 4.723 1.00 0.00 C ATOM 803 CZ TYR A 486 9.739 5.775 3.745 1.00 0.00 C ATOM 804 OH TYR A 486 10.908 6.475 3.779 1.00 0.00 O ATOM 0 H TYR A 486 7.800 1.206 3.193 1.00 0.00 H new ATOM 0 HA TYR A 486 5.041 1.916 2.532 1.00 0.00 H new ATOM 0 HB2 TYR A 486 5.236 4.169 3.253 1.00 0.00 H new ATOM 0 HB3 TYR A 486 5.779 3.189 4.600 1.00 0.00 H new ATOM 0 HD1 TYR A 486 6.856 5.518 1.921 1.00 0.00 H new ATOM 0 HD2 TYR A 486 8.058 3.312 5.420 1.00 0.00 H new ATOM 0 HE1 TYR A 486 8.988 6.799 1.990 1.00 0.00 H new ATOM 0 HE2 TYR A 486 10.183 4.599 5.509 1.00 0.00 H new ATOM 0 HH TYR A 486 11.449 6.172 4.538 1.00 0.00 H new ATOM 814 N ALA A 487 5.693 3.231 0.459 1.00 0.00 N ATOM 815 CA ALA A 487 5.948 3.644 -0.921 1.00 0.00 C ATOM 816 C ALA A 487 5.052 4.823 -1.335 1.00 0.00 C ATOM 817 O ALA A 487 4.070 5.152 -0.659 1.00 0.00 O ATOM 818 CB ALA A 487 5.732 2.433 -1.845 1.00 0.00 C ATOM 0 H ALA A 487 4.750 3.466 0.768 1.00 0.00 H new ATOM 0 HA ALA A 487 6.978 3.991 -1.005 1.00 0.00 H new ATOM 0 HB1 ALA A 487 5.919 2.726 -2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 487 6.419 1.634 -1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 487 4.705 2.080 -1.748 1.00 0.00 H new ATOM 824 N PHE A 488 5.375 5.417 -2.483 1.00 0.00 N ATOM 825 CA PHE A 488 4.600 6.448 -3.160 1.00 0.00 C ATOM 826 C PHE A 488 4.199 5.968 -4.559 1.00 0.00 C ATOM 827 O PHE A 488 5.042 5.672 -5.407 1.00 0.00 O ATOM 828 CB PHE A 488 5.413 7.747 -3.239 1.00 0.00 C ATOM 829 CG PHE A 488 5.633 8.419 -1.900 1.00 0.00 C ATOM 830 CD1 PHE A 488 4.611 9.207 -1.338 1.00 0.00 C ATOM 831 CD2 PHE A 488 6.854 8.266 -1.218 1.00 0.00 C ATOM 832 CE1 PHE A 488 4.818 9.855 -0.108 1.00 0.00 C ATOM 833 CE2 PHE A 488 7.057 8.908 0.017 1.00 0.00 C ATOM 834 CZ PHE A 488 6.040 9.705 0.570 1.00 0.00 C ATOM 0 H PHE A 488 6.228 5.178 -2.989 1.00 0.00 H new ATOM 0 HA PHE A 488 3.691 6.646 -2.592 1.00 0.00 H new ATOM 0 HB2 PHE A 488 6.382 7.530 -3.689 1.00 0.00 H new ATOM 0 HB3 PHE A 488 4.902 8.443 -3.904 1.00 0.00 H new ATOM 0 HD1 PHE A 488 3.667 9.314 -1.852 1.00 0.00 H new ATOM 0 HD2 PHE A 488 7.636 7.655 -1.643 1.00 0.00 H new ATOM 0 HE1 PHE A 488 4.037 10.469 0.317 1.00 0.00 H new ATOM 0 HE2 PHE A 488 7.994 8.789 0.540 1.00 0.00 H new ATOM 0 HZ PHE A 488 6.197 10.202 1.516 1.00 0.00 H new ATOM 844 N LEU A 489 2.890 5.920 -4.796 1.00 0.00 N ATOM 845 CA LEU A 489 2.286 5.706 -6.107 1.00 0.00 C ATOM 846 C LEU A 489 2.228 7.046 -6.841 1.00 0.00 C ATOM 847 O LEU A 489 1.893 8.065 -6.231 1.00 0.00 O ATOM 848 CB LEU A 489 0.852 5.169 -5.947 1.00 0.00 C ATOM 849 CG LEU A 489 0.658 4.005 -4.961 1.00 0.00 C ATOM 850 CD1 LEU A 489 -0.842 3.728 -4.847 1.00 0.00 C ATOM 851 CD2 LEU A 489 1.415 2.736 -5.374 1.00 0.00 C ATOM 0 H LEU A 489 2.198 6.033 -4.055 1.00 0.00 H new ATOM 0 HA LEU A 489 2.881 4.984 -6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 489 0.213 5.993 -5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 489 0.497 4.848 -6.926 1.00 0.00 H new ATOM 0 HG LEU A 489 1.075 4.295 -3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 489 -1.008 2.905 -4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 489 -1.350 4.620 -4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 489 -1.238 3.461 -5.827 1.00 0.00 H new ATOM 0 HD21 LEU A 489 1.238 1.951 -4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 489 1.063 2.404 -6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 489 2.482 2.950 -5.427 1.00 0.00 H new ATOM 863 N LEU A 490 2.488 7.026 -8.145 1.00 0.00 N ATOM 864 CA LEU A 490 2.286 8.142 -9.065 1.00 0.00 C ATOM 865 C LEU A 490 1.360 7.655 -10.186 1.00 0.00 C ATOM 866 O LEU A 490 1.790 6.877 -11.043 1.00 0.00 O ATOM 867 CB LEU A 490 3.636 8.597 -9.654 1.00 0.00 C ATOM 868 CG LEU A 490 4.803 8.893 -8.694 1.00 0.00 C ATOM 869 CD1 LEU A 490 6.042 9.202 -9.549 1.00 0.00 C ATOM 870 CD2 LEU A 490 4.493 10.056 -7.745 1.00 0.00 C ATOM 0 H LEU A 490 2.861 6.198 -8.609 1.00 0.00 H new ATOM 0 HA LEU A 490 1.843 8.991 -8.544 1.00 0.00 H new ATOM 0 HB2 LEU A 490 3.969 7.827 -10.350 1.00 0.00 H new ATOM 0 HB3 LEU A 490 3.454 9.498 -10.239 1.00 0.00 H new ATOM 0 HG LEU A 490 4.977 8.024 -8.059 1.00 0.00 H new ATOM 0 HD11 LEU A 490 6.889 9.417 -8.898 1.00 0.00 H new ATOM 0 HD12 LEU A 490 6.275 8.341 -10.176 1.00 0.00 H new ATOM 0 HD13 LEU A 490 5.842 10.067 -10.181 1.00 0.00 H new ATOM 0 HD21 LEU A 490 5.346 10.227 -7.088 1.00 0.00 H new ATOM 0 HD22 LEU A 490 4.297 10.957 -8.326 1.00 0.00 H new ATOM 0 HD23 LEU A 490 3.616 9.812 -7.145 1.00 0.00 H new ATOM 882 N PHE A 491 0.095 8.074 -10.174 1.00 0.00 N ATOM 883 CA PHE A 491 -0.874 7.722 -11.219 1.00 0.00 C ATOM 884 C PHE A 491 -0.693 8.602 -12.467 1.00 0.00 C ATOM 885 O PHE A 491 -0.150 9.706 -12.389 1.00 0.00 O ATOM 886 CB PHE A 491 -2.300 7.795 -10.653 1.00 0.00 C ATOM 887 CG PHE A 491 -2.596 6.749 -9.590 1.00 0.00 C ATOM 888 CD1 PHE A 491 -3.092 5.480 -9.957 1.00 0.00 C ATOM 889 CD2 PHE A 491 -2.366 7.037 -8.230 1.00 0.00 C ATOM 890 CE1 PHE A 491 -3.345 4.510 -8.973 1.00 0.00 C ATOM 891 CE2 PHE A 491 -2.635 6.070 -7.246 1.00 0.00 C ATOM 892 CZ PHE A 491 -3.126 4.807 -7.618 1.00 0.00 C ATOM 0 H PHE A 491 -0.290 8.668 -9.440 1.00 0.00 H new ATOM 0 HA PHE A 491 -0.694 6.696 -11.540 1.00 0.00 H new ATOM 0 HB2 PHE A 491 -2.461 8.786 -10.228 1.00 0.00 H new ATOM 0 HB3 PHE A 491 -3.011 7.679 -11.471 1.00 0.00 H new ATOM 0 HD1 PHE A 491 -3.278 5.254 -10.997 1.00 0.00 H new ATOM 0 HD2 PHE A 491 -1.982 8.004 -7.943 1.00 0.00 H new ATOM 0 HE1 PHE A 491 -3.709 3.534 -9.259 1.00 0.00 H new ATOM 0 HE2 PHE A 491 -2.464 6.298 -6.204 1.00 0.00 H new ATOM 0 HZ PHE A 491 -3.335 4.065 -6.862 1.00 0.00 H new ATOM 902 N GLN A 492 -1.158 8.129 -13.626 1.00 0.00 N ATOM 903 CA GLN A 492 -1.056 8.858 -14.899 1.00 0.00 C ATOM 904 C GLN A 492 -2.266 9.767 -15.188 1.00 0.00 C ATOM 905 O GLN A 492 -2.177 10.630 -16.061 1.00 0.00 O ATOM 906 CB GLN A 492 -0.838 7.851 -16.037 1.00 0.00 C ATOM 907 CG GLN A 492 0.532 7.150 -15.945 1.00 0.00 C ATOM 908 CD GLN A 492 0.821 6.198 -17.110 1.00 0.00 C ATOM 909 OE1 GLN A 492 0.197 6.221 -18.164 1.00 0.00 O ATOM 910 NE2 GLN A 492 1.790 5.315 -16.970 1.00 0.00 N ATOM 0 H GLN A 492 -1.620 7.223 -13.711 1.00 0.00 H new ATOM 0 HA GLN A 492 -0.202 9.531 -14.823 1.00 0.00 H new ATOM 0 HB2 GLN A 492 -1.629 7.102 -16.012 1.00 0.00 H new ATOM 0 HB3 GLN A 492 -0.916 8.366 -16.995 1.00 0.00 H new ATOM 0 HG2 GLN A 492 1.315 7.907 -15.905 1.00 0.00 H new ATOM 0 HG3 GLN A 492 0.581 6.591 -15.011 1.00 0.00 H new ATOM 0 HE21 GLN A 492 2.324 5.277 -16.102 1.00 0.00 H new ATOM 0 HE22 GLN A 492 2.006 4.670 -17.730 1.00 0.00 H new ATOM 919 N GLU A 493 -3.367 9.624 -14.442 1.00 0.00 N ATOM 920 CA GLU A 493 -4.573 10.461 -14.528 1.00 0.00 C ATOM 921 C GLU A 493 -5.153 10.697 -13.125 1.00 0.00 C ATOM 922 O GLU A 493 -5.222 9.774 -12.312 1.00 0.00 O ATOM 923 CB GLU A 493 -5.642 9.800 -15.417 1.00 0.00 C ATOM 924 CG GLU A 493 -5.234 9.691 -16.892 1.00 0.00 C ATOM 925 CD GLU A 493 -6.398 9.179 -17.752 1.00 0.00 C ATOM 926 OE1 GLU A 493 -7.201 10.008 -18.245 1.00 0.00 O ATOM 927 OE2 GLU A 493 -6.515 7.947 -17.953 1.00 0.00 O ATOM 0 H GLU A 493 -3.447 8.894 -13.734 1.00 0.00 H new ATOM 0 HA GLU A 493 -4.289 11.415 -14.973 1.00 0.00 H new ATOM 0 HB2 GLU A 493 -5.855 8.802 -15.033 1.00 0.00 H new ATOM 0 HB3 GLU A 493 -6.566 10.373 -15.346 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -4.911 10.666 -17.256 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -4.383 9.017 -16.988 1.00 0.00 H new ATOM 934 N GLU A 494 -5.572 11.932 -12.830 1.00 0.00 N ATOM 935 CA GLU A 494 -6.104 12.324 -11.514 1.00 0.00 C ATOM 936 C GLU A 494 -7.333 11.488 -11.118 1.00 0.00 C ATOM 937 O GLU A 494 -7.495 11.119 -9.953 1.00 0.00 O ATOM 938 CB GLU A 494 -6.469 13.822 -11.482 1.00 0.00 C ATOM 939 CG GLU A 494 -5.309 14.790 -11.774 1.00 0.00 C ATOM 940 CD GLU A 494 -5.140 15.073 -13.273 1.00 0.00 C ATOM 941 OE1 GLU A 494 -4.488 14.258 -13.966 1.00 0.00 O ATOM 942 OE2 GLU A 494 -5.660 16.102 -13.764 1.00 0.00 O ATOM 0 H GLU A 494 -5.552 12.698 -13.503 1.00 0.00 H new ATOM 0 HA GLU A 494 -5.311 12.134 -10.790 1.00 0.00 H new ATOM 0 HB2 GLU A 494 -7.261 14.001 -12.209 1.00 0.00 H new ATOM 0 HB3 GLU A 494 -6.878 14.058 -10.500 1.00 0.00 H new ATOM 0 HG2 GLU A 494 -5.483 15.729 -11.248 1.00 0.00 H new ATOM 0 HG3 GLU A 494 -4.383 14.371 -11.380 1.00 0.00 H new ATOM 949 N SER A 495 -8.158 11.100 -12.094 1.00 0.00 N ATOM 950 CA SER A 495 -9.319 10.221 -11.908 1.00 0.00 C ATOM 951 C SER A 495 -8.961 8.874 -11.258 1.00 0.00 C ATOM 952 O SER A 495 -9.784 8.299 -10.548 1.00 0.00 O ATOM 953 CB SER A 495 -9.998 9.966 -13.262 1.00 0.00 C ATOM 954 OG SER A 495 -10.298 11.188 -13.930 1.00 0.00 O ATOM 0 H SER A 495 -8.035 11.396 -13.062 1.00 0.00 H new ATOM 0 HA SER A 495 -9.996 10.737 -11.227 1.00 0.00 H new ATOM 0 HB2 SER A 495 -9.346 9.357 -13.889 1.00 0.00 H new ATOM 0 HB3 SER A 495 -10.916 9.398 -13.110 1.00 0.00 H new ATOM 0 HG SER A 495 -10.728 10.994 -14.789 1.00 0.00 H new ATOM 960 N SER A 496 -7.724 8.388 -11.409 1.00 0.00 N ATOM 961 CA SER A 496 -7.254 7.169 -10.741 1.00 0.00 C ATOM 962 C SER A 496 -7.045 7.372 -9.232 1.00 0.00 C ATOM 963 O SER A 496 -7.227 6.432 -8.458 1.00 0.00 O ATOM 964 CB SER A 496 -5.939 6.694 -11.371 1.00 0.00 C ATOM 965 OG SER A 496 -6.039 6.539 -12.781 1.00 0.00 O ATOM 0 H SER A 496 -7.019 8.830 -11.999 1.00 0.00 H new ATOM 0 HA SER A 496 -8.030 6.416 -10.875 1.00 0.00 H new ATOM 0 HB2 SER A 496 -5.150 7.410 -11.142 1.00 0.00 H new ATOM 0 HB3 SER A 496 -5.647 5.744 -10.923 1.00 0.00 H new ATOM 0 HG SER A 496 -6.618 5.775 -12.986 1.00 0.00 H new ATOM 971 N VAL A 497 -6.740 8.598 -8.789 1.00 0.00 N ATOM 972 CA VAL A 497 -6.626 8.929 -7.356 1.00 0.00 C ATOM 973 C VAL A 497 -8.023 8.988 -6.732 1.00 0.00 C ATOM 974 O VAL A 497 -8.230 8.466 -5.640 1.00 0.00 O ATOM 975 CB VAL A 497 -5.854 10.247 -7.109 1.00 0.00 C ATOM 976 CG1 VAL A 497 -5.708 10.546 -5.607 1.00 0.00 C ATOM 977 CG2 VAL A 497 -4.453 10.201 -7.739 1.00 0.00 C ATOM 0 H VAL A 497 -6.565 9.389 -9.409 1.00 0.00 H new ATOM 0 HA VAL A 497 -6.045 8.141 -6.877 1.00 0.00 H new ATOM 0 HB VAL A 497 -6.439 11.039 -7.577 1.00 0.00 H new ATOM 0 HG11 VAL A 497 -5.161 11.479 -5.473 1.00 0.00 H new ATOM 0 HG12 VAL A 497 -6.696 10.637 -5.156 1.00 0.00 H new ATOM 0 HG13 VAL A 497 -5.163 9.734 -5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 497 -3.937 11.142 -7.548 1.00 0.00 H new ATOM 0 HG22 VAL A 497 -3.885 9.380 -7.302 1.00 0.00 H new ATOM 0 HG23 VAL A 497 -4.543 10.049 -8.815 1.00 0.00 H new ATOM 987 N GLN A 498 -9.010 9.546 -7.443 1.00 0.00 N ATOM 988 CA GLN A 498 -10.404 9.549 -6.995 1.00 0.00 C ATOM 989 C GLN A 498 -11.010 8.139 -6.997 1.00 0.00 C ATOM 990 O GLN A 498 -11.749 7.803 -6.075 1.00 0.00 O ATOM 991 CB GLN A 498 -11.208 10.493 -7.906 1.00 0.00 C ATOM 992 CG GLN A 498 -12.703 10.617 -7.559 1.00 0.00 C ATOM 993 CD GLN A 498 -12.970 11.109 -6.134 1.00 0.00 C ATOM 994 OE1 GLN A 498 -13.060 12.300 -5.862 1.00 0.00 O ATOM 995 NE2 GLN A 498 -13.102 10.219 -5.172 1.00 0.00 N ATOM 0 H GLN A 498 -8.864 10.006 -8.342 1.00 0.00 H new ATOM 0 HA GLN A 498 -10.444 9.901 -5.964 1.00 0.00 H new ATOM 0 HB2 GLN A 498 -10.757 11.485 -7.864 1.00 0.00 H new ATOM 0 HB3 GLN A 498 -11.117 10.145 -8.935 1.00 0.00 H new ATOM 0 HG2 GLN A 498 -13.174 11.302 -8.264 1.00 0.00 H new ATOM 0 HG3 GLN A 498 -13.179 9.646 -7.693 1.00 0.00 H new ATOM 0 HE21 GLN A 498 -13.029 9.224 -5.384 1.00 0.00 H new ATOM 0 HE22 GLN A 498 -13.277 10.525 -4.215 1.00 0.00 H new ATOM 1004 N ALA A 499 -10.675 7.301 -7.983 1.00 0.00 N ATOM 1005 CA ALA A 499 -11.083 5.892 -8.012 1.00 0.00 C ATOM 1006 C ALA A 499 -10.517 5.095 -6.825 1.00 0.00 C ATOM 1007 O ALA A 499 -11.227 4.271 -6.247 1.00 0.00 O ATOM 1008 CB ALA A 499 -10.655 5.264 -9.342 1.00 0.00 C ATOM 0 H ALA A 499 -10.112 7.581 -8.786 1.00 0.00 H new ATOM 0 HA ALA A 499 -12.169 5.854 -7.922 1.00 0.00 H new ATOM 0 HB1 ALA A 499 -10.958 4.217 -9.364 1.00 0.00 H new ATOM 0 HB2 ALA A 499 -11.130 5.797 -10.166 1.00 0.00 H new ATOM 0 HB3 ALA A 499 -9.572 5.331 -9.444 1.00 0.00 H new ATOM 1014 N LEU A 500 -9.268 5.376 -6.426 1.00 0.00 N ATOM 1015 CA LEU A 500 -8.672 4.828 -5.208 1.00 0.00 C ATOM 1016 C LEU A 500 -9.425 5.317 -3.962 1.00 0.00 C ATOM 1017 O LEU A 500 -9.828 4.500 -3.139 1.00 0.00 O ATOM 1018 CB LEU A 500 -7.165 5.158 -5.193 1.00 0.00 C ATOM 1019 CG LEU A 500 -6.427 4.836 -3.877 1.00 0.00 C ATOM 1020 CD1 LEU A 500 -6.591 3.380 -3.436 1.00 0.00 C ATOM 1021 CD2 LEU A 500 -4.931 5.121 -4.058 1.00 0.00 C ATOM 0 H LEU A 500 -8.643 5.993 -6.945 1.00 0.00 H new ATOM 0 HA LEU A 500 -8.767 3.742 -5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -6.683 4.610 -6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -7.041 6.219 -5.408 1.00 0.00 H new ATOM 0 HG LEU A 500 -6.868 5.466 -3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -6.048 3.219 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -7.648 3.163 -3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -6.194 2.719 -4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -4.403 4.896 -3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -4.537 4.498 -4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -4.789 6.172 -4.310 1.00 0.00 H new ATOM 1033 N ILE A 501 -9.682 6.625 -3.842 1.00 0.00 N ATOM 1034 CA ILE A 501 -10.455 7.216 -2.729 1.00 0.00 C ATOM 1035 C ILE A 501 -11.849 6.572 -2.608 1.00 0.00 C ATOM 1036 O ILE A 501 -12.279 6.237 -1.505 1.00 0.00 O ATOM 1037 CB ILE A 501 -10.543 8.755 -2.891 1.00 0.00 C ATOM 1038 CG1 ILE A 501 -9.155 9.412 -2.708 1.00 0.00 C ATOM 1039 CG2 ILE A 501 -11.538 9.365 -1.882 1.00 0.00 C ATOM 1040 CD1 ILE A 501 -9.053 10.844 -3.246 1.00 0.00 C ATOM 0 H ILE A 501 -9.358 7.315 -4.519 1.00 0.00 H new ATOM 0 HA ILE A 501 -9.930 7.007 -1.797 1.00 0.00 H new ATOM 0 HB ILE A 501 -10.900 8.954 -3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -8.907 9.418 -1.647 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -8.407 8.796 -3.207 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -11.579 10.446 -2.019 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -12.529 8.941 -2.046 1.00 0.00 H new ATOM 0 HG23 ILE A 501 -11.211 9.140 -0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 501 -8.046 11.226 -3.076 1.00 0.00 H new ATOM 0 HD12 ILE A 501 -9.266 10.847 -4.315 1.00 0.00 H new ATOM 0 HD13 ILE A 501 -9.774 11.479 -2.730 1.00 0.00 H new ATOM 1052 N ASP A 502 -12.533 6.346 -3.732 1.00 0.00 N ATOM 1053 CA ASP A 502 -13.868 5.735 -3.791 1.00 0.00 C ATOM 1054 C ASP A 502 -13.878 4.237 -3.410 1.00 0.00 C ATOM 1055 O ASP A 502 -14.924 3.705 -3.030 1.00 0.00 O ATOM 1056 CB ASP A 502 -14.441 5.960 -5.200 1.00 0.00 C ATOM 1057 CG ASP A 502 -15.904 5.500 -5.330 1.00 0.00 C ATOM 1058 OD1 ASP A 502 -16.789 6.140 -4.712 1.00 0.00 O ATOM 1059 OD2 ASP A 502 -16.168 4.530 -6.079 1.00 0.00 O ATOM 0 H ASP A 502 -12.166 6.589 -4.652 1.00 0.00 H new ATOM 0 HA ASP A 502 -14.497 6.218 -3.043 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -14.375 7.019 -5.449 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -13.830 5.423 -5.926 1.00 0.00 H new ATOM 1064 N ALA A 503 -12.719 3.569 -3.455 1.00 0.00 N ATOM 1065 CA ALA A 503 -12.533 2.177 -3.036 1.00 0.00 C ATOM 1066 C ALA A 503 -11.958 2.035 -1.612 1.00 0.00 C ATOM 1067 O ALA A 503 -12.012 0.944 -1.039 1.00 0.00 O ATOM 1068 CB ALA A 503 -11.633 1.492 -4.070 1.00 0.00 C ATOM 0 H ALA A 503 -11.858 3.997 -3.795 1.00 0.00 H new ATOM 0 HA ALA A 503 -13.510 1.695 -2.992 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -11.476 0.452 -3.784 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -12.109 1.531 -5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -10.672 2.005 -4.113 1.00 0.00 H new ATOM 1074 N CYS A 504 -11.428 3.114 -1.027 1.00 0.00 N ATOM 1075 CA CYS A 504 -10.835 3.104 0.309 1.00 0.00 C ATOM 1076 C CYS A 504 -11.878 3.058 1.441 1.00 0.00 C ATOM 1077 O CYS A 504 -12.969 3.629 1.351 1.00 0.00 O ATOM 1078 CB CYS A 504 -9.957 4.353 0.491 1.00 0.00 C ATOM 1079 SG CYS A 504 -8.367 4.175 -0.363 1.00 0.00 S ATOM 0 H CYS A 504 -11.400 4.029 -1.476 1.00 0.00 H new ATOM 0 HA CYS A 504 -10.243 2.191 0.379 1.00 0.00 H new ATOM 0 HB2 CYS A 504 -10.482 5.228 0.107 1.00 0.00 H new ATOM 0 HB3 CYS A 504 -9.784 4.526 1.553 1.00 0.00 H new ATOM 0 HG CYS A 504 -8.550 4.277 -1.646 1.00 0.00 H new ATOM 1085 N LEU A 505 -11.489 2.405 2.537 1.00 0.00 N ATOM 1086 CA LEU A 505 -12.144 2.473 3.845 1.00 0.00 C ATOM 1087 C LEU A 505 -11.616 3.722 4.571 1.00 0.00 C ATOM 1088 O LEU A 505 -10.671 4.363 4.104 1.00 0.00 O ATOM 1089 CB LEU A 505 -11.835 1.190 4.646 1.00 0.00 C ATOM 1090 CG LEU A 505 -12.390 -0.102 4.018 1.00 0.00 C ATOM 1091 CD1 LEU A 505 -11.867 -1.318 4.797 1.00 0.00 C ATOM 1092 CD2 LEU A 505 -13.926 -0.127 3.992 1.00 0.00 C ATOM 0 H LEU A 505 -10.676 1.789 2.538 1.00 0.00 H new ATOM 0 HA LEU A 505 -13.226 2.545 3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 505 -10.754 1.093 4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 505 -12.244 1.296 5.651 1.00 0.00 H new ATOM 0 HG LEU A 505 -12.046 -0.138 2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 505 -12.260 -2.232 4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 505 -10.778 -1.335 4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 505 -12.191 -1.252 5.836 1.00 0.00 H new ATOM 0 HD21 LEU A 505 -14.267 -1.058 3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 505 -14.308 -0.057 5.010 1.00 0.00 H new ATOM 0 HD23 LEU A 505 -14.294 0.716 3.407 1.00 0.00 H new ATOM 1104 N GLU A 506 -12.190 4.057 5.725 1.00 0.00 N ATOM 1105 CA GLU A 506 -11.837 5.264 6.483 1.00 0.00 C ATOM 1106 C GLU A 506 -11.867 5.007 7.996 1.00 0.00 C ATOM 1107 O GLU A 506 -12.833 4.446 8.520 1.00 0.00 O ATOM 1108 CB GLU A 506 -12.776 6.417 6.087 1.00 0.00 C ATOM 1109 CG GLU A 506 -12.327 7.770 6.655 1.00 0.00 C ATOM 1110 CD GLU A 506 -13.345 8.863 6.308 1.00 0.00 C ATOM 1111 OE1 GLU A 506 -13.227 9.489 5.230 1.00 0.00 O ATOM 1112 OE2 GLU A 506 -14.270 9.095 7.119 1.00 0.00 O ATOM 0 H GLU A 506 -12.919 3.497 6.167 1.00 0.00 H new ATOM 0 HA GLU A 506 -10.814 5.546 6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 506 -12.825 6.483 5.000 1.00 0.00 H new ATOM 0 HB3 GLU A 506 -13.784 6.196 6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 506 -12.216 7.698 7.737 1.00 0.00 H new ATOM 0 HG3 GLU A 506 -11.349 8.034 6.252 1.00 0.00 H new ATOM 1175 N LEU A 511 -7.348 7.113 5.253 1.00 0.00 N ATOM 1176 CA LEU A 511 -7.901 6.111 4.337 1.00 0.00 C ATOM 1177 C LEU A 511 -7.102 4.803 4.405 1.00 0.00 C ATOM 1178 O LEU A 511 -5.911 4.811 4.719 1.00 0.00 O ATOM 1179 CB LEU A 511 -7.936 6.678 2.903 1.00 0.00 C ATOM 1180 CG LEU A 511 -8.869 7.885 2.680 1.00 0.00 C ATOM 1181 CD1 LEU A 511 -8.744 8.352 1.221 1.00 0.00 C ATOM 1182 CD2 LEU A 511 -10.339 7.563 2.988 1.00 0.00 C ATOM 0 HA LEU A 511 -8.922 5.879 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 511 -6.924 6.969 2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 511 -8.237 5.880 2.224 1.00 0.00 H new ATOM 0 HG LEU A 511 -8.560 8.671 3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 511 -9.401 9.206 1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 511 -7.713 8.643 1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 511 -9.029 7.539 0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 511 -10.950 8.449 2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 511 -10.678 6.755 2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 511 -10.434 7.256 4.030 1.00 0.00 H new ATOM 1194 N TYR A 512 -7.749 3.680 4.085 1.00 0.00 N ATOM 1195 CA TYR A 512 -7.113 2.357 4.013 1.00 0.00 C ATOM 1196 C TYR A 512 -7.620 1.518 2.827 1.00 0.00 C ATOM 1197 O TYR A 512 -8.794 1.571 2.462 1.00 0.00 O ATOM 1198 CB TYR A 512 -7.275 1.567 5.330 1.00 0.00 C ATOM 1199 CG TYR A 512 -6.594 2.167 6.551 1.00 0.00 C ATOM 1200 CD1 TYR A 512 -7.195 3.224 7.264 1.00 0.00 C ATOM 1201 CD2 TYR A 512 -5.359 1.649 6.989 1.00 0.00 C ATOM 1202 CE1 TYR A 512 -6.550 3.782 8.384 1.00 0.00 C ATOM 1203 CE2 TYR A 512 -4.713 2.196 8.116 1.00 0.00 C ATOM 1204 CZ TYR A 512 -5.306 3.271 8.815 1.00 0.00 C ATOM 1205 OH TYR A 512 -4.689 3.803 9.910 1.00 0.00 O ATOM 0 H TYR A 512 -8.745 3.661 3.865 1.00 0.00 H new ATOM 0 HA TYR A 512 -6.052 2.549 3.853 1.00 0.00 H new ATOM 0 HB2 TYR A 512 -8.339 1.468 5.543 1.00 0.00 H new ATOM 0 HB3 TYR A 512 -6.885 0.561 5.178 1.00 0.00 H new ATOM 0 HD1 TYR A 512 -8.154 3.607 6.950 1.00 0.00 H new ATOM 0 HD2 TYR A 512 -4.904 0.827 6.457 1.00 0.00 H new ATOM 0 HE1 TYR A 512 -7.008 4.603 8.915 1.00 0.00 H new ATOM 0 HE2 TYR A 512 -3.766 1.794 8.445 1.00 0.00 H new ATOM 0 HH TYR A 512 -3.843 3.334 10.069 1.00 0.00 H new ATOM 1215 N LEU A 513 -6.731 0.697 2.264 1.00 0.00 N ATOM 1216 CA LEU A 513 -7.008 -0.317 1.240 1.00 0.00 C ATOM 1217 C LEU A 513 -6.387 -1.653 1.692 1.00 0.00 C ATOM 1218 O LEU A 513 -5.828 -1.722 2.790 1.00 0.00 O ATOM 1219 CB LEU A 513 -6.428 0.186 -0.102 1.00 0.00 C ATOM 1220 CG LEU A 513 -7.164 -0.348 -1.345 1.00 0.00 C ATOM 1221 CD1 LEU A 513 -8.453 0.451 -1.582 1.00 0.00 C ATOM 1222 CD2 LEU A 513 -6.275 -0.247 -2.585 1.00 0.00 C ATOM 0 H LEU A 513 -5.745 0.722 2.523 1.00 0.00 H new ATOM 0 HA LEU A 513 -8.077 -0.482 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -6.461 1.275 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 513 -5.379 -0.102 -0.163 1.00 0.00 H new ATOM 0 HG LEU A 513 -7.410 -1.395 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -8.964 0.064 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -9.105 0.356 -0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 513 -8.207 1.501 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -6.814 -0.630 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -6.006 0.795 -2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -5.370 -0.835 -2.433 1.00 0.00 H new ATOM 1234 N CYS A 514 -6.422 -2.702 0.863 1.00 0.00 N ATOM 1235 CA CYS A 514 -5.776 -3.988 1.139 1.00 0.00 C ATOM 1236 C CYS A 514 -4.980 -4.538 -0.063 1.00 0.00 C ATOM 1237 O CYS A 514 -5.322 -4.267 -1.218 1.00 0.00 O ATOM 1238 CB CYS A 514 -6.819 -4.981 1.680 1.00 0.00 C ATOM 1239 SG CYS A 514 -8.106 -5.310 0.439 1.00 0.00 S ATOM 0 H CYS A 514 -6.908 -2.680 -0.033 1.00 0.00 H new ATOM 0 HA CYS A 514 -5.021 -3.832 1.910 1.00 0.00 H new ATOM 0 HB2 CYS A 514 -6.329 -5.914 1.958 1.00 0.00 H new ATOM 0 HB3 CYS A 514 -7.275 -4.579 2.585 1.00 0.00 H new ATOM 0 HG CYS A 514 -8.970 -6.152 0.923 1.00 0.00 H new ATOM 1245 N VAL A 515 -3.910 -5.286 0.226 1.00 0.00 N ATOM 1246 CA VAL A 515 -2.896 -5.776 -0.738 1.00 0.00 C ATOM 1247 C VAL A 515 -2.319 -7.140 -0.310 1.00 0.00 C ATOM 1248 O VAL A 515 -2.550 -7.583 0.813 1.00 0.00 O ATOM 1249 CB VAL A 515 -1.748 -4.752 -0.945 1.00 0.00 C ATOM 1250 CG1 VAL A 515 -2.253 -3.387 -1.442 1.00 0.00 C ATOM 1251 CG2 VAL A 515 -0.909 -4.539 0.325 1.00 0.00 C ATOM 0 H VAL A 515 -3.710 -5.585 1.180 1.00 0.00 H new ATOM 0 HA VAL A 515 -3.411 -5.902 -1.690 1.00 0.00 H new ATOM 0 HB VAL A 515 -1.116 -5.195 -1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -1.408 -2.711 -1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -2.763 -3.514 -2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -2.946 -2.968 -0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -0.121 -3.814 0.123 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -1.548 -4.167 1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -0.462 -5.486 0.629 1.00 0.00 H new ATOM 1261 N SER A 516 -1.544 -7.798 -1.178 1.00 0.00 N ATOM 1262 CA SER A 516 -1.023 -9.164 -0.967 1.00 0.00 C ATOM 1263 C SER A 516 0.386 -9.364 -1.563 1.00 0.00 C ATOM 1264 O SER A 516 0.776 -8.694 -2.518 1.00 0.00 O ATOM 1265 CB SER A 516 -1.982 -10.193 -1.591 1.00 0.00 C ATOM 1266 OG SER A 516 -3.204 -10.294 -0.871 1.00 0.00 O ATOM 0 H SER A 516 -1.252 -7.393 -2.067 1.00 0.00 H new ATOM 0 HA SER A 516 -0.951 -9.310 0.111 1.00 0.00 H new ATOM 0 HB2 SER A 516 -2.192 -9.912 -2.623 1.00 0.00 H new ATOM 0 HB3 SER A 516 -1.497 -11.169 -1.619 1.00 0.00 H new ATOM 0 HG SER A 516 -3.784 -10.956 -1.302 1.00 0.00 H new ATOM 1272 N SER A 517 1.150 -10.308 -1.011 1.00 0.00 N ATOM 1273 CA SER A 517 2.567 -10.568 -1.315 1.00 0.00 C ATOM 1274 C SER A 517 2.892 -12.083 -1.257 1.00 0.00 C ATOM 1275 O SER A 517 1.983 -12.893 -1.018 1.00 0.00 O ATOM 1276 CB SER A 517 3.406 -9.789 -0.288 1.00 0.00 C ATOM 1277 OG SER A 517 3.448 -10.482 0.954 1.00 0.00 O ATOM 0 H SER A 517 0.784 -10.946 -0.304 1.00 0.00 H new ATOM 0 HA SER A 517 2.798 -10.241 -2.329 1.00 0.00 H new ATOM 0 HB2 SER A 517 4.418 -9.650 -0.668 1.00 0.00 H new ATOM 0 HB3 SER A 517 2.982 -8.796 -0.142 1.00 0.00 H new ATOM 0 HG SER A 517 4.373 -10.519 1.277 1.00 0.00 H new ATOM 1283 N PRO A 518 4.166 -12.512 -1.409 1.00 0.00 N ATOM 1284 CA PRO A 518 4.573 -13.901 -1.194 1.00 0.00 C ATOM 1285 C PRO A 518 4.470 -14.355 0.274 1.00 0.00 C ATOM 1286 O PRO A 518 4.532 -15.558 0.532 1.00 0.00 O ATOM 1287 CB PRO A 518 6.025 -13.999 -1.685 1.00 0.00 C ATOM 1288 CG PRO A 518 6.212 -12.761 -2.560 1.00 0.00 C ATOM 1289 CD PRO A 518 5.318 -11.748 -1.858 1.00 0.00 C ATOM 0 HA PRO A 518 3.900 -14.563 -1.739 1.00 0.00 H new ATOM 0 HB2 PRO A 518 6.727 -14.007 -0.851 1.00 0.00 H new ATOM 0 HB3 PRO A 518 6.192 -14.915 -2.251 1.00 0.00 H new ATOM 0 HG2 PRO A 518 7.252 -12.436 -2.592 1.00 0.00 H new ATOM 0 HG3 PRO A 518 5.901 -12.937 -3.590 1.00 0.00 H new ATOM 0 HD2 PRO A 518 5.834 -11.281 -1.019 1.00 0.00 H new ATOM 0 HD3 PRO A 518 5.021 -10.947 -2.535 1.00 0.00 H new ATOM 1297 N THR A 519 4.314 -13.419 1.227 1.00 0.00 N ATOM 1298 CA THR A 519 4.371 -13.668 2.677 1.00 0.00 C ATOM 1299 C THR A 519 3.067 -13.361 3.405 1.00 0.00 C ATOM 1300 O THR A 519 2.751 -14.063 4.365 1.00 0.00 O ATOM 1301 CB THR A 519 5.516 -12.871 3.316 1.00 0.00 C ATOM 1302 OG1 THR A 519 5.435 -11.513 2.933 1.00 0.00 O ATOM 1303 CG2 THR A 519 6.880 -13.415 2.890 1.00 0.00 C ATOM 0 H THR A 519 4.140 -12.440 1.002 1.00 0.00 H new ATOM 0 HA THR A 519 4.549 -14.738 2.786 1.00 0.00 H new ATOM 0 HB THR A 519 5.417 -12.967 4.397 1.00 0.00 H new ATOM 0 HG1 THR A 519 6.169 -11.012 3.347 1.00 0.00 H new ATOM 0 HG21 THR A 519 7.669 -12.828 3.360 1.00 0.00 H new ATOM 0 HG22 THR A 519 6.969 -14.456 3.199 1.00 0.00 H new ATOM 0 HG23 THR A 519 6.976 -13.349 1.806 1.00 0.00 H new ATOM 1311 N ILE A 520 2.284 -12.377 2.951 1.00 0.00 N ATOM 1312 CA ILE A 520 1.032 -11.928 3.592 1.00 0.00 C ATOM 1313 C ILE A 520 -0.073 -11.776 2.542 1.00 0.00 C ATOM 1314 O ILE A 520 0.162 -11.316 1.425 1.00 0.00 O ATOM 1315 CB ILE A 520 1.231 -10.590 4.357 1.00 0.00 C ATOM 1316 CG1 ILE A 520 2.499 -10.489 5.241 1.00 0.00 C ATOM 1317 CG2 ILE A 520 -0.015 -10.277 5.212 1.00 0.00 C ATOM 1318 CD1 ILE A 520 2.509 -11.350 6.511 1.00 0.00 C ATOM 0 H ILE A 520 2.505 -11.853 2.104 1.00 0.00 H new ATOM 0 HA ILE A 520 0.738 -12.687 4.317 1.00 0.00 H new ATOM 0 HB ILE A 520 1.377 -9.851 3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 520 3.362 -10.763 4.635 1.00 0.00 H new ATOM 0 HG13 ILE A 520 2.632 -9.447 5.532 1.00 0.00 H new ATOM 0 HG21 ILE A 520 0.135 -9.337 5.744 1.00 0.00 H new ATOM 0 HG22 ILE A 520 -0.888 -10.192 4.565 1.00 0.00 H new ATOM 0 HG23 ILE A 520 -0.173 -11.080 5.932 1.00 0.00 H new ATOM 0 HD11 ILE A 520 3.445 -11.196 7.048 1.00 0.00 H new ATOM 0 HD12 ILE A 520 1.673 -11.065 7.150 1.00 0.00 H new ATOM 0 HD13 ILE A 520 2.415 -12.401 6.239 1.00 0.00 H new ATOM 1330 N LYS A 521 -1.298 -12.138 2.917 1.00 0.00 N ATOM 1331 CA LYS A 521 -2.494 -12.059 2.075 1.00 0.00 C ATOM 1332 C LYS A 521 -3.558 -11.157 2.729 1.00 0.00 C ATOM 1333 O LYS A 521 -3.819 -11.279 3.928 1.00 0.00 O ATOM 1334 CB LYS A 521 -3.023 -13.488 1.859 1.00 0.00 C ATOM 1335 CG LYS A 521 -2.070 -14.439 1.112 1.00 0.00 C ATOM 1336 CD LYS A 521 -1.712 -13.968 -0.308 1.00 0.00 C ATOM 1337 CE LYS A 521 -0.932 -15.036 -1.090 1.00 0.00 C ATOM 1338 NZ LYS A 521 0.445 -15.229 -0.565 1.00 0.00 N ATOM 0 H LYS A 521 -1.494 -12.507 3.847 1.00 0.00 H new ATOM 0 HA LYS A 521 -2.249 -11.613 1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 521 -3.254 -13.923 2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 521 -3.960 -13.431 1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 521 -1.153 -14.548 1.691 1.00 0.00 H new ATOM 0 HG3 LYS A 521 -2.529 -15.426 1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 521 -2.625 -13.718 -0.848 1.00 0.00 H new ATOM 0 HD3 LYS A 521 -1.118 -13.056 -0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 521 -1.471 -15.982 -1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 521 -0.881 -14.749 -2.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 521 0.889 -16.038 -1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 521 1.007 -14.371 -0.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 521 0.404 -15.413 0.458 1.00 0.00 H new ATOM 1352 N ASP A 522 -4.151 -10.249 1.945 1.00 0.00 N ATOM 1353 CA ASP A 522 -5.233 -9.321 2.375 1.00 0.00 C ATOM 1354 C ASP A 522 -4.779 -8.336 3.481 1.00 0.00 C ATOM 1355 O ASP A 522 -5.579 -7.872 4.294 1.00 0.00 O ATOM 1356 CB ASP A 522 -6.494 -10.134 2.747 1.00 0.00 C ATOM 1357 CG ASP A 522 -7.770 -9.280 2.876 1.00 0.00 C ATOM 1358 OD1 ASP A 522 -8.060 -8.483 1.952 1.00 0.00 O ATOM 1359 OD2 ASP A 522 -8.510 -9.452 3.874 1.00 0.00 O ATOM 0 H ASP A 522 -3.893 -10.127 0.966 1.00 0.00 H new ATOM 0 HA ASP A 522 -5.490 -8.674 1.536 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -6.657 -10.901 1.990 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -6.317 -10.650 3.691 1.00 0.00 H new ATOM 1364 N LYS A 523 -3.482 -7.996 3.520 1.00 0.00 N ATOM 1365 CA LYS A 523 -2.916 -6.997 4.436 1.00 0.00 C ATOM 1366 C LYS A 523 -3.621 -5.632 4.258 1.00 0.00 C ATOM 1367 O LYS A 523 -3.628 -5.139 3.121 1.00 0.00 O ATOM 1368 CB LYS A 523 -1.404 -6.842 4.153 1.00 0.00 C ATOM 1369 CG LYS A 523 -0.696 -5.919 5.165 1.00 0.00 C ATOM 1370 CD LYS A 523 -0.367 -6.627 6.486 1.00 0.00 C ATOM 1371 CE LYS A 523 -0.139 -5.654 7.652 1.00 0.00 C ATOM 1372 NZ LYS A 523 1.125 -4.885 7.525 1.00 0.00 N ATOM 0 H LYS A 523 -2.785 -8.416 2.904 1.00 0.00 H new ATOM 0 HA LYS A 523 -3.068 -7.334 5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 523 -0.933 -7.825 4.174 1.00 0.00 H new ATOM 0 HB3 LYS A 523 -1.267 -6.444 3.148 1.00 0.00 H new ATOM 0 HG2 LYS A 523 0.225 -5.540 4.722 1.00 0.00 H new ATOM 0 HG3 LYS A 523 -1.330 -5.056 5.369 1.00 0.00 H new ATOM 0 HD2 LYS A 523 -1.182 -7.305 6.741 1.00 0.00 H new ATOM 0 HD3 LYS A 523 0.525 -7.238 6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 523 -0.977 -4.959 7.708 1.00 0.00 H new ATOM 0 HE3 LYS A 523 -0.126 -6.213 8.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 523 1.242 -4.270 8.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 523 1.928 -5.544 7.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 523 1.091 -4.302 6.665 1.00 0.00 H new ATOM 1386 N PRO A 524 -4.156 -4.998 5.324 1.00 0.00 N ATOM 1387 CA PRO A 524 -4.660 -3.631 5.270 1.00 0.00 C ATOM 1388 C PRO A 524 -3.485 -2.649 5.258 1.00 0.00 C ATOM 1389 O PRO A 524 -2.494 -2.845 5.962 1.00 0.00 O ATOM 1390 CB PRO A 524 -5.530 -3.440 6.513 1.00 0.00 C ATOM 1391 CG PRO A 524 -4.933 -4.424 7.523 1.00 0.00 C ATOM 1392 CD PRO A 524 -4.276 -5.520 6.680 1.00 0.00 C ATOM 0 HA PRO A 524 -5.243 -3.447 4.368 1.00 0.00 H new ATOM 0 HB2 PRO A 524 -5.487 -2.414 6.879 1.00 0.00 H new ATOM 0 HB3 PRO A 524 -6.577 -3.662 6.308 1.00 0.00 H new ATOM 0 HG2 PRO A 524 -4.203 -3.933 8.167 1.00 0.00 H new ATOM 0 HG3 PRO A 524 -5.704 -4.837 8.173 1.00 0.00 H new ATOM 0 HD2 PRO A 524 -3.297 -5.781 7.081 1.00 0.00 H new ATOM 0 HD3 PRO A 524 -4.878 -6.429 6.692 1.00 0.00 H new ATOM 1400 N VAL A 525 -3.607 -1.588 4.463 1.00 0.00 N ATOM 1401 CA VAL A 525 -2.549 -0.598 4.216 1.00 0.00 C ATOM 1402 C VAL A 525 -3.124 0.816 4.216 1.00 0.00 C ATOM 1403 O VAL A 525 -4.184 1.058 3.642 1.00 0.00 O ATOM 1404 CB VAL A 525 -1.777 -0.888 2.905 1.00 0.00 C ATOM 1405 CG1 VAL A 525 -0.892 -2.133 3.087 1.00 0.00 C ATOM 1406 CG2 VAL A 525 -2.671 -1.077 1.661 1.00 0.00 C ATOM 0 H VAL A 525 -4.468 -1.383 3.956 1.00 0.00 H new ATOM 0 HA VAL A 525 -1.830 -0.677 5.032 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.177 0.002 2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -0.351 -2.333 2.162 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -0.180 -1.958 3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -1.517 -2.991 3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -2.046 -1.276 0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -3.346 -1.918 1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -3.253 -0.172 1.491 1.00 0.00 H new ATOM 1416 N GLN A 526 -2.442 1.737 4.898 1.00 0.00 N ATOM 1417 CA GLN A 526 -2.824 3.144 5.021 1.00 0.00 C ATOM 1418 C GLN A 526 -2.564 3.862 3.694 1.00 0.00 C ATOM 1419 O GLN A 526 -1.495 3.707 3.112 1.00 0.00 O ATOM 1420 CB GLN A 526 -2.005 3.786 6.155 1.00 0.00 C ATOM 1421 CG GLN A 526 -2.471 5.214 6.490 1.00 0.00 C ATOM 1422 CD GLN A 526 -1.498 5.921 7.433 1.00 0.00 C ATOM 1423 OE1 GLN A 526 -0.671 6.726 7.025 1.00 0.00 O ATOM 1424 NE2 GLN A 526 -1.543 5.646 8.720 1.00 0.00 N ATOM 0 H GLN A 526 -1.580 1.517 5.396 1.00 0.00 H new ATOM 0 HA GLN A 526 -3.885 3.227 5.257 1.00 0.00 H new ATOM 0 HB2 GLN A 526 -2.080 3.165 7.048 1.00 0.00 H new ATOM 0 HB3 GLN A 526 -0.953 3.809 5.870 1.00 0.00 H new ATOM 0 HG2 GLN A 526 -2.569 5.790 5.570 1.00 0.00 H new ATOM 0 HG3 GLN A 526 -3.459 5.176 6.949 1.00 0.00 H new ATOM 0 HE21 GLN A 526 -2.227 4.977 9.075 1.00 0.00 H new ATOM 0 HE22 GLN A 526 -0.894 6.102 9.362 1.00 0.00 H new ATOM 1433 N ILE A 527 -3.517 4.673 3.234 1.00 0.00 N ATOM 1434 CA ILE A 527 -3.461 5.435 1.978 1.00 0.00 C ATOM 1435 C ILE A 527 -3.572 6.927 2.320 1.00 0.00 C ATOM 1436 O ILE A 527 -4.469 7.319 3.071 1.00 0.00 O ATOM 1437 CB ILE A 527 -4.623 4.999 1.047 1.00 0.00 C ATOM 1438 CG1 ILE A 527 -4.744 3.472 0.850 1.00 0.00 C ATOM 1439 CG2 ILE A 527 -4.538 5.684 -0.328 1.00 0.00 C ATOM 1440 CD1 ILE A 527 -3.527 2.786 0.226 1.00 0.00 C ATOM 0 H ILE A 527 -4.387 4.826 3.745 1.00 0.00 H new ATOM 0 HA ILE A 527 -2.522 5.246 1.457 1.00 0.00 H new ATOM 0 HB ILE A 527 -5.523 5.324 1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 527 -4.940 3.013 1.819 1.00 0.00 H new ATOM 0 HG13 ILE A 527 -5.612 3.273 0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 527 -5.369 5.353 -0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 527 -4.589 6.765 -0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 527 -3.596 5.420 -0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 527 -3.719 1.717 0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 527 -3.338 3.207 -0.761 1.00 0.00 H new ATOM 0 HD13 ILE A 527 -2.655 2.944 0.861 1.00 0.00 H new ATOM 1452 N ARG A 528 -2.687 7.768 1.771 1.00 0.00 N ATOM 1453 CA ARG A 528 -2.702 9.227 1.980 1.00 0.00 C ATOM 1454 C ARG A 528 -2.374 9.972 0.672 1.00 0.00 C ATOM 1455 O ARG A 528 -1.193 10.136 0.349 1.00 0.00 O ATOM 1456 CB ARG A 528 -1.763 9.632 3.139 1.00 0.00 C ATOM 1457 CG ARG A 528 -2.301 9.214 4.516 1.00 0.00 C ATOM 1458 CD ARG A 528 -1.517 9.829 5.682 1.00 0.00 C ATOM 1459 NE ARG A 528 -0.158 9.270 5.789 1.00 0.00 N ATOM 1460 CZ ARG A 528 0.995 9.874 5.521 1.00 0.00 C ATOM 1461 NH1 ARG A 528 1.059 11.113 5.078 1.00 0.00 N ATOM 1462 NH2 ARG A 528 2.121 9.223 5.701 1.00 0.00 N ATOM 0 H ARG A 528 -1.931 7.455 1.162 1.00 0.00 H new ATOM 0 HA ARG A 528 -3.709 9.523 2.272 1.00 0.00 H new ATOM 0 HB2 ARG A 528 -0.785 9.178 2.983 1.00 0.00 H new ATOM 0 HB3 ARG A 528 -1.619 10.712 3.123 1.00 0.00 H new ATOM 0 HG2 ARG A 528 -3.348 9.508 4.595 1.00 0.00 H new ATOM 0 HG3 ARG A 528 -2.268 8.128 4.597 1.00 0.00 H new ATOM 0 HD2 ARG A 528 -1.455 10.909 5.548 1.00 0.00 H new ATOM 0 HD3 ARG A 528 -2.055 9.654 6.613 1.00 0.00 H new ATOM 0 HE ARG A 528 -0.094 8.303 6.107 1.00 0.00 H new ATOM 0 HH11 ARG A 528 0.202 11.646 4.928 1.00 0.00 H new ATOM 0 HH12 ARG A 528 1.965 11.539 4.885 1.00 0.00 H new ATOM 0 HH21 ARG A 528 2.106 8.262 6.044 1.00 0.00 H new ATOM 0 HH22 ARG A 528 3.011 9.678 5.498 1.00 0.00 H new ATOM 1476 N PRO A 529 -3.393 10.410 -0.099 1.00 0.00 N ATOM 1477 CA PRO A 529 -3.207 11.213 -1.305 1.00 0.00 C ATOM 1478 C PRO A 529 -2.491 12.533 -1.007 1.00 0.00 C ATOM 1479 O PRO A 529 -2.771 13.185 -0.001 1.00 0.00 O ATOM 1480 CB PRO A 529 -4.610 11.447 -1.879 1.00 0.00 C ATOM 1481 CG PRO A 529 -5.412 10.266 -1.338 1.00 0.00 C ATOM 1482 CD PRO A 529 -4.802 10.065 0.047 1.00 0.00 C ATOM 0 HA PRO A 529 -2.569 10.697 -2.022 1.00 0.00 H new ATOM 0 HB2 PRO A 529 -5.025 12.400 -1.550 1.00 0.00 H new ATOM 0 HB3 PRO A 529 -4.601 11.462 -2.969 1.00 0.00 H new ATOM 0 HG2 PRO A 529 -6.478 10.489 -1.284 1.00 0.00 H new ATOM 0 HG3 PRO A 529 -5.303 9.380 -1.963 1.00 0.00 H new ATOM 0 HD2 PRO A 529 -5.288 10.701 0.787 1.00 0.00 H new ATOM 0 HD3 PRO A 529 -4.922 9.035 0.384 1.00 0.00 H new ATOM 1490 N TRP A 530 -1.579 12.936 -1.896 1.00 0.00 N ATOM 1491 CA TRP A 530 -0.792 14.172 -1.770 1.00 0.00 C ATOM 1492 C TRP A 530 -1.565 15.421 -2.259 1.00 0.00 C ATOM 1493 O TRP A 530 -1.084 16.549 -2.149 1.00 0.00 O ATOM 1494 CB TRP A 530 0.524 13.960 -2.532 1.00 0.00 C ATOM 1495 CG TRP A 530 1.674 14.848 -2.166 1.00 0.00 C ATOM 1496 CD1 TRP A 530 1.943 16.062 -2.695 1.00 0.00 C ATOM 1497 CD2 TRP A 530 2.748 14.587 -1.208 1.00 0.00 C ATOM 1498 NE1 TRP A 530 3.101 16.568 -2.140 1.00 0.00 N ATOM 1499 CE2 TRP A 530 3.647 15.697 -1.224 1.00 0.00 C ATOM 1500 CE3 TRP A 530 3.062 13.520 -0.336 1.00 0.00 C ATOM 1501 CZ2 TRP A 530 4.798 15.743 -0.423 1.00 0.00 C ATOM 1502 CZ3 TRP A 530 4.212 13.560 0.477 1.00 0.00 C ATOM 1503 CH2 TRP A 530 5.080 14.666 0.434 1.00 0.00 C ATOM 0 H TRP A 530 -1.361 12.405 -2.739 1.00 0.00 H new ATOM 0 HA TRP A 530 -0.584 14.373 -0.719 1.00 0.00 H new ATOM 0 HB2 TRP A 530 0.836 12.926 -2.388 1.00 0.00 H new ATOM 0 HB3 TRP A 530 0.323 14.087 -3.596 1.00 0.00 H new ATOM 0 HD1 TRP A 530 1.342 16.562 -3.440 1.00 0.00 H new ATOM 0 HE1 TRP A 530 3.503 17.475 -2.379 1.00 0.00 H new ATOM 0 HE3 TRP A 530 2.410 12.660 -0.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 530 5.459 16.596 -0.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 530 4.429 12.735 1.139 1.00 0.00 H new ATOM 0 HH2 TRP A 530 5.961 14.687 1.058 1.00 0.00 H new