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 170:sc= 0.327 USER MOD Set 1.2: A 519 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 512 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 526 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 THR OG1 : rot 63:sc= 1.2 USER MOD Single : A 460 SER OG : rot 67:sc= 1.23 USER MOD Single : A 486 TYR OH : rot 180:sc= 0 USER MOD Single : A 492 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot 180:sc= 0 USER MOD Single : A 498 GLN : amide:sc= 0.443 X(o=0.44,f=-0.016) USER MOD Single : A 504 CYS SG : rot 73:sc= 0.601 USER MOD Single : A 514 CYS SG : rot 8:sc= 0.00561 USER MOD Single : A 516 SER OG : rot 180:sc= 0 USER MOD Single : A 521 LYS NZ :NH3+ 177:sc= 1.16 (180deg=1.15) USER MOD Single : A 523 LYS NZ :NH3+ -161:sc= 0.913 (180deg=0.673) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 441 -1.403 13.706 -7.975 1.00 0.00 N ATOM 80 CA ARG A 441 -1.349 12.301 -8.412 1.00 0.00 C ATOM 81 C ARG A 441 -0.392 11.431 -7.584 1.00 0.00 C ATOM 82 O ARG A 441 -0.316 10.222 -7.813 1.00 0.00 O ATOM 83 CB ARG A 441 -1.013 12.213 -9.907 1.00 0.00 C ATOM 84 CG ARG A 441 -2.059 12.955 -10.749 1.00 0.00 C ATOM 85 CD ARG A 441 -2.029 12.570 -12.227 1.00 0.00 C ATOM 86 NE ARG A 441 -0.703 12.761 -12.834 1.00 0.00 N ATOM 87 CZ ARG A 441 -0.252 13.855 -13.437 1.00 0.00 C ATOM 88 NH1 ARG A 441 -0.975 14.950 -13.556 1.00 0.00 N ATOM 89 NH2 ARG A 441 0.966 13.861 -13.935 1.00 0.00 N ATOM 0 HA ARG A 441 -2.345 11.892 -8.241 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -0.026 12.639 -10.088 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -0.969 11.168 -10.213 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.051 12.749 -10.347 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -1.894 14.029 -10.657 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.326 11.527 -12.333 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.762 13.167 -12.769 1.00 0.00 H new ATOM 0 HE ARG A 441 -0.062 11.969 -12.787 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -1.921 14.980 -13.177 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -0.588 15.768 -14.027 1.00 0.00 H new ATOM 0 HH21 ARG A 441 1.553 13.031 -13.856 1.00 0.00 H new ATOM 0 HH22 ARG A 441 1.323 14.696 -14.400 1.00 0.00 H new ATOM 103 N LYS A 442 0.332 12.013 -6.622 1.00 0.00 N ATOM 104 CA LYS A 442 1.150 11.264 -5.664 1.00 0.00 C ATOM 105 C LYS A 442 0.280 10.707 -4.521 1.00 0.00 C ATOM 106 O LYS A 442 -0.524 11.441 -3.945 1.00 0.00 O ATOM 107 CB LYS A 442 2.297 12.162 -5.160 1.00 0.00 C ATOM 108 CG LYS A 442 3.267 11.390 -4.245 1.00 0.00 C ATOM 109 CD LYS A 442 4.547 12.173 -3.917 1.00 0.00 C ATOM 110 CE LYS A 442 4.255 13.412 -3.060 1.00 0.00 C ATOM 111 NZ LYS A 442 5.501 14.113 -2.654 1.00 0.00 N ATOM 0 H LYS A 442 0.367 13.023 -6.486 1.00 0.00 H new ATOM 0 HA LYS A 442 1.597 10.399 -6.154 1.00 0.00 H new ATOM 0 HB2 LYS A 442 2.844 12.565 -6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.882 13.011 -4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 442 2.756 11.138 -3.316 1.00 0.00 H new ATOM 0 HG3 LYS A 442 3.538 10.450 -4.725 1.00 0.00 H new ATOM 0 HD2 LYS A 442 5.245 11.523 -3.390 1.00 0.00 H new ATOM 0 HD3 LYS A 442 5.033 12.479 -4.843 1.00 0.00 H new ATOM 0 HE2 LYS A 442 3.619 14.098 -3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 442 3.699 13.115 -2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 5.260 14.944 -2.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 6.098 13.467 -2.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 6.019 14.419 -3.502 1.00 0.00 H new ATOM 125 N VAL A 443 0.452 9.430 -4.174 1.00 0.00 N ATOM 126 CA VAL A 443 -0.269 8.761 -3.074 1.00 0.00 C ATOM 127 C VAL A 443 0.701 7.892 -2.268 1.00 0.00 C ATOM 128 O VAL A 443 1.235 6.916 -2.786 1.00 0.00 O ATOM 129 CB VAL A 443 -1.452 7.903 -3.591 1.00 0.00 C ATOM 130 CG1 VAL A 443 -2.251 7.304 -2.424 1.00 0.00 C ATOM 131 CG2 VAL A 443 -2.417 8.690 -4.495 1.00 0.00 C ATOM 0 H VAL A 443 1.108 8.815 -4.655 1.00 0.00 H new ATOM 0 HA VAL A 443 -0.686 9.537 -2.432 1.00 0.00 H new ATOM 0 HB VAL A 443 -1.000 7.109 -4.186 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -3.075 6.707 -2.815 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -1.598 6.671 -1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -2.648 8.108 -1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -3.223 8.035 -4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -2.836 9.528 -3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.877 9.066 -5.364 1.00 0.00 H new ATOM 141 N PHE A 444 0.917 8.234 -0.997 1.00 0.00 N ATOM 142 CA PHE A 444 1.669 7.410 -0.048 1.00 0.00 C ATOM 143 C PHE A 444 0.852 6.168 0.348 1.00 0.00 C ATOM 144 O PHE A 444 -0.358 6.263 0.568 1.00 0.00 O ATOM 145 CB PHE A 444 2.036 8.273 1.172 1.00 0.00 C ATOM 146 CG PHE A 444 2.594 7.523 2.374 1.00 0.00 C ATOM 147 CD1 PHE A 444 1.731 6.886 3.292 1.00 0.00 C ATOM 148 CD2 PHE A 444 3.983 7.482 2.596 1.00 0.00 C ATOM 149 CE1 PHE A 444 2.251 6.216 4.412 1.00 0.00 C ATOM 150 CE2 PHE A 444 4.502 6.828 3.727 1.00 0.00 C ATOM 151 CZ PHE A 444 3.639 6.188 4.632 1.00 0.00 C ATOM 0 H PHE A 444 0.570 9.103 -0.592 1.00 0.00 H new ATOM 0 HA PHE A 444 2.589 7.049 -0.507 1.00 0.00 H new ATOM 0 HB2 PHE A 444 2.770 9.016 0.859 1.00 0.00 H new ATOM 0 HB3 PHE A 444 1.146 8.817 1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 444 0.663 6.914 3.132 1.00 0.00 H new ATOM 0 HD2 PHE A 444 4.654 7.955 1.894 1.00 0.00 H new ATOM 0 HE1 PHE A 444 1.584 5.723 5.104 1.00 0.00 H new ATOM 0 HE2 PHE A 444 5.568 6.818 3.901 1.00 0.00 H new ATOM 0 HZ PHE A 444 4.041 5.676 5.494 1.00 0.00 H new ATOM 161 N VAL A 445 1.523 5.020 0.474 1.00 0.00 N ATOM 162 CA VAL A 445 0.943 3.747 0.932 1.00 0.00 C ATOM 163 C VAL A 445 1.843 3.142 2.005 1.00 0.00 C ATOM 164 O VAL A 445 3.003 2.843 1.727 1.00 0.00 O ATOM 165 CB VAL A 445 0.755 2.743 -0.226 1.00 0.00 C ATOM 166 CG1 VAL A 445 0.128 1.422 0.258 1.00 0.00 C ATOM 167 CG2 VAL A 445 -0.136 3.345 -1.317 1.00 0.00 C ATOM 0 H VAL A 445 2.516 4.945 0.254 1.00 0.00 H new ATOM 0 HA VAL A 445 -0.045 3.956 1.342 1.00 0.00 H new ATOM 0 HB VAL A 445 1.746 2.531 -0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 445 0.013 0.743 -0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 445 0.776 0.964 1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.849 1.623 0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -0.258 2.624 -2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.112 3.588 -0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 445 0.327 4.252 -1.706 1.00 0.00 H new ATOM 177 N GLY A 446 1.307 2.969 3.218 1.00 0.00 N ATOM 178 CA GLY A 446 2.029 2.455 4.392 1.00 0.00 C ATOM 179 C GLY A 446 1.473 1.131 4.914 1.00 0.00 C ATOM 180 O GLY A 446 0.263 0.916 4.915 1.00 0.00 O ATOM 0 H GLY A 446 0.331 3.188 3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 446 3.080 2.323 4.134 1.00 0.00 H new ATOM 0 HA3 GLY A 446 1.987 3.198 5.189 1.00 0.00 H new ATOM 184 N GLY A 447 2.364 0.254 5.388 1.00 0.00 N ATOM 185 CA GLY A 447 2.054 -1.103 5.870 1.00 0.00 C ATOM 186 C GLY A 447 2.321 -2.210 4.843 1.00 0.00 C ATOM 187 O GLY A 447 1.904 -3.349 5.062 1.00 0.00 O ATOM 0 H GLY A 447 3.358 0.474 5.450 1.00 0.00 H new ATOM 0 HA2 GLY A 447 2.644 -1.303 6.765 1.00 0.00 H new ATOM 0 HA3 GLY A 447 1.005 -1.141 6.165 1.00 0.00 H new ATOM 191 N LEU A 448 3.000 -1.895 3.731 1.00 0.00 N ATOM 192 CA LEU A 448 3.346 -2.836 2.657 1.00 0.00 C ATOM 193 C LEU A 448 4.185 -4.022 3.191 1.00 0.00 C ATOM 194 O LEU A 448 5.047 -3.801 4.052 1.00 0.00 O ATOM 195 CB LEU A 448 4.125 -2.093 1.552 1.00 0.00 C ATOM 196 CG LEU A 448 3.312 -1.046 0.763 1.00 0.00 C ATOM 197 CD1 LEU A 448 4.237 -0.321 -0.221 1.00 0.00 C ATOM 198 CD2 LEU A 448 2.157 -1.684 -0.023 1.00 0.00 C ATOM 0 H LEU A 448 3.334 -0.949 3.549 1.00 0.00 H new ATOM 0 HA LEU A 448 2.421 -3.242 2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 448 4.982 -1.596 2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 448 4.518 -2.828 0.850 1.00 0.00 H new ATOM 0 HG LEU A 448 2.887 -0.348 1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 448 3.665 0.420 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 448 5.035 0.177 0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 448 4.670 -1.043 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 448 1.613 -0.909 -0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 448 2.556 -2.408 -0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 448 1.481 -2.188 0.668 1.00 0.00 H new ATOM 210 N PRO A 449 3.970 -5.258 2.689 1.00 0.00 N ATOM 211 CA PRO A 449 4.786 -6.426 3.025 1.00 0.00 C ATOM 212 C PRO A 449 6.294 -6.216 2.780 1.00 0.00 C ATOM 213 O PRO A 449 6.664 -5.426 1.910 1.00 0.00 O ATOM 214 CB PRO A 449 4.252 -7.562 2.147 1.00 0.00 C ATOM 215 CG PRO A 449 2.795 -7.178 1.906 1.00 0.00 C ATOM 216 CD PRO A 449 2.857 -5.658 1.832 1.00 0.00 C ATOM 0 HA PRO A 449 4.706 -6.639 4.091 1.00 0.00 H new ATOM 0 HB2 PRO A 449 4.806 -7.639 1.211 1.00 0.00 H new ATOM 0 HB3 PRO A 449 4.334 -8.527 2.647 1.00 0.00 H new ATOM 0 HG2 PRO A 449 2.409 -7.613 0.984 1.00 0.00 H new ATOM 0 HG3 PRO A 449 2.148 -7.518 2.714 1.00 0.00 H new ATOM 0 HD2 PRO A 449 3.014 -5.323 0.807 1.00 0.00 H new ATOM 0 HD3 PRO A 449 1.922 -5.212 2.173 1.00 0.00 H new ATOM 224 N PRO A 450 7.175 -6.951 3.490 1.00 0.00 N ATOM 225 CA PRO A 450 8.628 -6.866 3.325 1.00 0.00 C ATOM 226 C PRO A 450 9.153 -7.644 2.099 1.00 0.00 C ATOM 227 O PRO A 450 10.365 -7.723 1.903 1.00 0.00 O ATOM 228 CB PRO A 450 9.187 -7.429 4.637 1.00 0.00 C ATOM 229 CG PRO A 450 8.173 -8.514 4.994 1.00 0.00 C ATOM 230 CD PRO A 450 6.848 -7.893 4.553 1.00 0.00 C ATOM 0 HA PRO A 450 8.945 -5.841 3.133 1.00 0.00 H new ATOM 0 HB2 PRO A 450 10.189 -7.838 4.508 1.00 0.00 H new ATOM 0 HB3 PRO A 450 9.252 -6.664 5.411 1.00 0.00 H new ATOM 0 HG2 PRO A 450 8.377 -9.447 4.470 1.00 0.00 H new ATOM 0 HG3 PRO A 450 8.180 -8.739 6.060 1.00 0.00 H new ATOM 0 HD2 PRO A 450 6.159 -8.658 4.196 1.00 0.00 H new ATOM 0 HD3 PRO A 450 6.359 -7.387 5.385 1.00 0.00 H new ATOM 238 N ASP A 451 8.263 -8.221 1.281 1.00 0.00 N ATOM 239 CA ASP A 451 8.579 -9.171 0.199 1.00 0.00 C ATOM 240 C ASP A 451 7.799 -8.861 -1.101 1.00 0.00 C ATOM 241 O ASP A 451 7.610 -9.732 -1.951 1.00 0.00 O ATOM 242 CB ASP A 451 8.314 -10.596 0.727 1.00 0.00 C ATOM 243 CG ASP A 451 9.044 -11.692 -0.071 1.00 0.00 C ATOM 244 OD1 ASP A 451 10.294 -11.752 0.004 1.00 0.00 O ATOM 245 OD2 ASP A 451 8.371 -12.536 -0.711 1.00 0.00 O ATOM 0 H ASP A 451 7.263 -8.033 1.355 1.00 0.00 H new ATOM 0 HA ASP A 451 9.629 -9.078 -0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 451 8.622 -10.651 1.771 1.00 0.00 H new ATOM 0 HB3 ASP A 451 7.242 -10.791 0.701 1.00 0.00 H new ATOM 250 N ILE A 452 7.304 -7.623 -1.245 1.00 0.00 N ATOM 251 CA ILE A 452 6.483 -7.175 -2.384 1.00 0.00 C ATOM 252 C ILE A 452 7.288 -6.304 -3.367 1.00 0.00 C ATOM 253 O ILE A 452 7.880 -5.293 -2.990 1.00 0.00 O ATOM 254 CB ILE A 452 5.185 -6.501 -1.873 1.00 0.00 C ATOM 255 CG1 ILE A 452 4.167 -6.429 -3.025 1.00 0.00 C ATOM 256 CG2 ILE A 452 5.420 -5.116 -1.243 1.00 0.00 C ATOM 257 CD1 ILE A 452 2.785 -5.910 -2.624 1.00 0.00 C ATOM 0 H ILE A 452 7.466 -6.887 -0.558 1.00 0.00 H new ATOM 0 HA ILE A 452 6.181 -8.046 -2.965 1.00 0.00 H new ATOM 0 HB ILE A 452 4.788 -7.117 -1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 452 4.569 -5.785 -3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 452 4.056 -7.424 -3.456 1.00 0.00 H new ATOM 0 HG21 ILE A 452 4.469 -4.703 -0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 452 6.094 -5.213 -0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 452 5.864 -4.450 -1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 452 2.135 -5.894 -3.499 1.00 0.00 H new ATOM 0 HD12 ILE A 452 2.356 -6.565 -1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 452 2.878 -4.901 -2.222 1.00 0.00 H new ATOM 269 N ASP A 453 7.330 -6.715 -4.637 1.00 0.00 N ATOM 270 CA ASP A 453 8.071 -6.034 -5.709 1.00 0.00 C ATOM 271 C ASP A 453 7.319 -4.812 -6.272 1.00 0.00 C ATOM 272 O ASP A 453 6.099 -4.697 -6.145 1.00 0.00 O ATOM 273 CB ASP A 453 8.395 -7.061 -6.809 1.00 0.00 C ATOM 274 CG ASP A 453 9.126 -6.455 -8.017 1.00 0.00 C ATOM 275 OD1 ASP A 453 10.326 -6.121 -7.889 1.00 0.00 O ATOM 276 OD2 ASP A 453 8.480 -6.273 -9.072 1.00 0.00 O ATOM 0 H ASP A 453 6.839 -7.549 -4.959 1.00 0.00 H new ATOM 0 HA ASP A 453 8.996 -5.634 -5.294 1.00 0.00 H new ATOM 0 HB2 ASP A 453 9.009 -7.855 -6.384 1.00 0.00 H new ATOM 0 HB3 ASP A 453 7.468 -7.522 -7.149 1.00 0.00 H new ATOM 281 N GLU A 454 8.057 -3.928 -6.947 1.00 0.00 N ATOM 282 CA GLU A 454 7.529 -2.763 -7.669 1.00 0.00 C ATOM 283 C GLU A 454 6.337 -3.121 -8.576 1.00 0.00 C ATOM 284 O GLU A 454 5.324 -2.422 -8.562 1.00 0.00 O ATOM 285 CB GLU A 454 8.656 -2.147 -8.520 1.00 0.00 C ATOM 286 CG GLU A 454 8.289 -0.775 -9.104 1.00 0.00 C ATOM 287 CD GLU A 454 9.285 -0.340 -10.190 1.00 0.00 C ATOM 288 OE1 GLU A 454 10.511 -0.346 -9.930 1.00 0.00 O ATOM 289 OE2 GLU A 454 8.849 0.022 -11.308 1.00 0.00 O ATOM 0 H GLU A 454 9.072 -4.004 -7.010 1.00 0.00 H new ATOM 0 HA GLU A 454 7.168 -2.050 -6.928 1.00 0.00 H new ATOM 0 HB2 GLU A 454 9.552 -2.047 -7.908 1.00 0.00 H new ATOM 0 HB3 GLU A 454 8.902 -2.828 -9.335 1.00 0.00 H new ATOM 0 HG2 GLU A 454 7.284 -0.815 -9.525 1.00 0.00 H new ATOM 0 HG3 GLU A 454 8.271 -0.032 -8.307 1.00 0.00 H new ATOM 296 N ASP A 455 6.419 -4.221 -9.331 1.00 0.00 N ATOM 297 CA ASP A 455 5.376 -4.647 -10.271 1.00 0.00 C ATOM 298 C ASP A 455 4.148 -5.249 -9.569 1.00 0.00 C ATOM 299 O ASP A 455 3.045 -5.187 -10.107 1.00 0.00 O ATOM 300 CB ASP A 455 5.978 -5.650 -11.263 1.00 0.00 C ATOM 301 CG ASP A 455 5.049 -5.926 -12.459 1.00 0.00 C ATOM 302 OD1 ASP A 455 4.802 -4.988 -13.256 1.00 0.00 O ATOM 303 OD2 ASP A 455 4.606 -7.087 -12.625 1.00 0.00 O ATOM 0 H ASP A 455 7.222 -4.849 -9.307 1.00 0.00 H new ATOM 0 HA ASP A 455 5.019 -3.762 -10.799 1.00 0.00 H new ATOM 0 HB2 ASP A 455 6.931 -5.267 -11.628 1.00 0.00 H new ATOM 0 HB3 ASP A 455 6.187 -6.586 -10.746 1.00 0.00 H new ATOM 308 N GLU A 456 4.321 -5.772 -8.352 1.00 0.00 N ATOM 309 CA GLU A 456 3.222 -6.246 -7.503 1.00 0.00 C ATOM 310 C GLU A 456 2.502 -5.074 -6.826 1.00 0.00 C ATOM 311 O GLU A 456 1.270 -5.055 -6.782 1.00 0.00 O ATOM 312 CB GLU A 456 3.731 -7.206 -6.421 1.00 0.00 C ATOM 313 CG GLU A 456 4.307 -8.525 -6.933 1.00 0.00 C ATOM 314 CD GLU A 456 3.250 -9.408 -7.615 1.00 0.00 C ATOM 315 OE1 GLU A 456 2.380 -9.971 -6.909 1.00 0.00 O ATOM 316 OE2 GLU A 456 3.297 -9.571 -8.857 1.00 0.00 O ATOM 0 H GLU A 456 5.240 -5.880 -7.922 1.00 0.00 H new ATOM 0 HA GLU A 456 2.524 -6.773 -8.153 1.00 0.00 H new ATOM 0 HB2 GLU A 456 4.498 -6.696 -5.839 1.00 0.00 H new ATOM 0 HB3 GLU A 456 2.909 -7.428 -5.740 1.00 0.00 H new ATOM 0 HG2 GLU A 456 5.111 -8.316 -7.639 1.00 0.00 H new ATOM 0 HG3 GLU A 456 4.749 -9.072 -6.100 1.00 0.00 H new ATOM 323 N ILE A 457 3.239 -4.060 -6.352 1.00 0.00 N ATOM 324 CA ILE A 457 2.639 -2.804 -5.868 1.00 0.00 C ATOM 325 C ILE A 457 1.904 -2.114 -7.026 1.00 0.00 C ATOM 326 O ILE A 457 0.772 -1.669 -6.846 1.00 0.00 O ATOM 327 CB ILE A 457 3.695 -1.868 -5.224 1.00 0.00 C ATOM 328 CG1 ILE A 457 4.434 -2.524 -4.035 1.00 0.00 C ATOM 329 CG2 ILE A 457 3.008 -0.577 -4.731 1.00 0.00 C ATOM 330 CD1 ILE A 457 5.755 -1.819 -3.692 1.00 0.00 C ATOM 0 H ILE A 457 4.257 -4.084 -6.292 1.00 0.00 H new ATOM 0 HA ILE A 457 1.922 -3.040 -5.082 1.00 0.00 H new ATOM 0 HB ILE A 457 4.435 -1.649 -5.993 1.00 0.00 H new ATOM 0 HG12 ILE A 457 3.785 -2.514 -3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 457 4.636 -3.569 -4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 457 3.751 0.080 -4.279 1.00 0.00 H new ATOM 0 HG22 ILE A 457 2.540 -0.069 -5.574 1.00 0.00 H new ATOM 0 HG23 ILE A 457 2.248 -0.829 -3.992 1.00 0.00 H new ATOM 0 HD11 ILE A 457 6.229 -2.324 -2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 457 6.420 -1.852 -4.555 1.00 0.00 H new ATOM 0 HD13 ILE A 457 5.555 -0.781 -3.427 1.00 0.00 H new ATOM 342 N THR A 458 2.493 -2.098 -8.230 1.00 0.00 N ATOM 343 CA THR A 458 1.857 -1.556 -9.438 1.00 0.00 C ATOM 344 C THR A 458 0.585 -2.321 -9.758 1.00 0.00 C ATOM 345 O THR A 458 -0.460 -1.697 -9.865 1.00 0.00 O ATOM 346 CB THR A 458 2.824 -1.540 -10.632 1.00 0.00 C ATOM 347 OG1 THR A 458 3.982 -0.813 -10.293 1.00 0.00 O ATOM 348 CG2 THR A 458 2.220 -0.855 -11.859 1.00 0.00 C ATOM 0 H THR A 458 3.431 -2.464 -8.394 1.00 0.00 H new ATOM 0 HA THR A 458 1.587 -0.519 -9.239 1.00 0.00 H new ATOM 0 HB THR A 458 3.045 -2.581 -10.867 1.00 0.00 H new ATOM 0 HG1 THR A 458 4.449 -1.265 -9.559 1.00 0.00 H new ATOM 0 HG21 THR A 458 2.942 -0.869 -12.676 1.00 0.00 H new ATOM 0 HG22 THR A 458 1.317 -1.384 -12.163 1.00 0.00 H new ATOM 0 HG23 THR A 458 1.970 0.177 -11.613 1.00 0.00 H new ATOM 356 N ALA A 459 0.622 -3.654 -9.846 1.00 0.00 N ATOM 357 CA ALA A 459 -0.564 -4.466 -10.131 1.00 0.00 C ATOM 358 C ALA A 459 -1.657 -4.347 -9.049 1.00 0.00 C ATOM 359 O ALA A 459 -2.844 -4.432 -9.367 1.00 0.00 O ATOM 360 CB ALA A 459 -0.125 -5.922 -10.324 1.00 0.00 C ATOM 0 H ALA A 459 1.475 -4.200 -9.722 1.00 0.00 H new ATOM 0 HA ALA A 459 -1.023 -4.088 -11.044 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -0.997 -6.540 -10.537 1.00 0.00 H new ATOM 0 HB2 ALA A 459 0.575 -5.983 -11.157 1.00 0.00 H new ATOM 0 HB3 ALA A 459 0.360 -6.279 -9.415 1.00 0.00 H new ATOM 366 N SER A 460 -1.283 -4.089 -7.794 1.00 0.00 N ATOM 367 CA SER A 460 -2.231 -3.862 -6.691 1.00 0.00 C ATOM 368 C SER A 460 -3.043 -2.562 -6.835 1.00 0.00 C ATOM 369 O SER A 460 -4.152 -2.483 -6.298 1.00 0.00 O ATOM 370 CB SER A 460 -1.504 -3.857 -5.336 1.00 0.00 C ATOM 371 OG SER A 460 -0.868 -5.099 -5.067 1.00 0.00 O ATOM 0 H SER A 460 -0.306 -4.030 -7.508 1.00 0.00 H new ATOM 0 HA SER A 460 -2.936 -4.692 -6.737 1.00 0.00 H new ATOM 0 HB2 SER A 460 -0.761 -3.060 -5.327 1.00 0.00 H new ATOM 0 HB3 SER A 460 -2.218 -3.636 -4.543 1.00 0.00 H new ATOM 0 HG SER A 460 -0.134 -5.235 -5.702 1.00 0.00 H new ATOM 377 N PHE A 461 -2.543 -1.569 -7.590 1.00 0.00 N ATOM 378 CA PHE A 461 -3.214 -0.280 -7.807 1.00 0.00 C ATOM 379 C PHE A 461 -3.514 0.017 -9.292 1.00 0.00 C ATOM 380 O PHE A 461 -4.248 0.960 -9.590 1.00 0.00 O ATOM 381 CB PHE A 461 -2.396 0.821 -7.114 1.00 0.00 C ATOM 382 CG PHE A 461 -2.438 0.757 -5.592 1.00 0.00 C ATOM 383 CD1 PHE A 461 -1.485 0.005 -4.879 1.00 0.00 C ATOM 384 CD2 PHE A 461 -3.422 1.468 -4.876 1.00 0.00 C ATOM 385 CE1 PHE A 461 -1.516 -0.053 -3.474 1.00 0.00 C ATOM 386 CE2 PHE A 461 -3.442 1.427 -3.470 1.00 0.00 C ATOM 387 CZ PHE A 461 -2.497 0.659 -2.767 1.00 0.00 C ATOM 0 H PHE A 461 -1.648 -1.642 -8.073 1.00 0.00 H new ATOM 0 HA PHE A 461 -4.205 -0.319 -7.354 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -1.359 0.750 -7.442 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -2.767 1.794 -7.437 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -0.720 -0.534 -5.418 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -4.163 2.046 -5.408 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -0.786 -0.644 -2.941 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.188 1.989 -2.927 1.00 0.00 H new ATOM 0 HZ PHE A 461 -2.526 0.617 -1.688 1.00 0.00 H new ATOM 397 N ARG A 462 -3.056 -0.825 -10.229 1.00 0.00 N ATOM 398 CA ARG A 462 -3.328 -0.717 -11.673 1.00 0.00 C ATOM 399 C ARG A 462 -4.823 -0.825 -12.016 1.00 0.00 C ATOM 400 O ARG A 462 -5.258 -0.269 -13.028 1.00 0.00 O ATOM 401 CB ARG A 462 -2.490 -1.768 -12.435 1.00 0.00 C ATOM 402 CG ARG A 462 -2.624 -1.734 -13.967 1.00 0.00 C ATOM 403 CD ARG A 462 -2.205 -0.378 -14.552 1.00 0.00 C ATOM 404 NE ARG A 462 -2.481 -0.287 -15.996 1.00 0.00 N ATOM 405 CZ ARG A 462 -3.647 0.005 -16.566 1.00 0.00 C ATOM 406 NH1 ARG A 462 -4.755 0.180 -15.873 1.00 0.00 N ATOM 407 NH2 ARG A 462 -3.713 0.128 -17.874 1.00 0.00 N ATOM 0 H ARG A 462 -2.468 -1.625 -9.998 1.00 0.00 H new ATOM 0 HA ARG A 462 -3.031 0.282 -11.993 1.00 0.00 H new ATOM 0 HB2 ARG A 462 -1.440 -1.628 -12.176 1.00 0.00 H new ATOM 0 HB3 ARG A 462 -2.776 -2.760 -12.084 1.00 0.00 H new ATOM 0 HG2 ARG A 462 -2.009 -2.522 -14.402 1.00 0.00 H new ATOM 0 HG3 ARG A 462 -3.657 -1.945 -14.245 1.00 0.00 H new ATOM 0 HD2 ARG A 462 -2.735 0.420 -14.031 1.00 0.00 H new ATOM 0 HD3 ARG A 462 -1.141 -0.222 -14.376 1.00 0.00 H new ATOM 0 HE ARG A 462 -1.697 -0.466 -16.624 1.00 0.00 H new ATOM 0 HH11 ARG A 462 -4.740 0.093 -14.857 1.00 0.00 H new ATOM 0 HH12 ARG A 462 -5.627 0.403 -16.353 1.00 0.00 H new ATOM 0 HH21 ARG A 462 -2.875 -0.000 -18.441 1.00 0.00 H new ATOM 0 HH22 ARG A 462 -4.602 0.352 -18.321 1.00 0.00 H new ATOM 421 N ARG A 463 -5.615 -1.448 -11.135 1.00 0.00 N ATOM 422 CA ARG A 463 -7.088 -1.488 -11.153 1.00 0.00 C ATOM 423 C ARG A 463 -7.771 -0.105 -11.233 1.00 0.00 C ATOM 424 O ARG A 463 -8.927 -0.020 -11.650 1.00 0.00 O ATOM 425 CB ARG A 463 -7.584 -2.272 -9.921 1.00 0.00 C ATOM 426 CG ARG A 463 -7.141 -1.644 -8.585 1.00 0.00 C ATOM 427 CD ARG A 463 -7.645 -2.421 -7.366 1.00 0.00 C ATOM 428 NE ARG A 463 -9.085 -2.207 -7.136 1.00 0.00 N ATOM 429 CZ ARG A 463 -9.775 -2.599 -6.070 1.00 0.00 C ATOM 430 NH1 ARG A 463 -9.217 -3.278 -5.088 1.00 0.00 N ATOM 431 NH2 ARG A 463 -11.054 -2.308 -5.977 1.00 0.00 N ATOM 0 H ARG A 463 -5.228 -1.967 -10.347 1.00 0.00 H new ATOM 0 HA ARG A 463 -7.375 -1.992 -12.076 1.00 0.00 H new ATOM 0 HB2 ARG A 463 -8.672 -2.326 -9.947 1.00 0.00 H new ATOM 0 HB3 ARG A 463 -7.212 -3.295 -9.975 1.00 0.00 H new ATOM 0 HG2 ARG A 463 -6.052 -1.597 -8.555 1.00 0.00 H new ATOM 0 HG3 ARG A 463 -7.506 -0.618 -8.532 1.00 0.00 H new ATOM 0 HD2 ARG A 463 -7.454 -3.485 -7.509 1.00 0.00 H new ATOM 0 HD3 ARG A 463 -7.086 -2.113 -6.482 1.00 0.00 H new ATOM 0 HE ARG A 463 -9.600 -1.711 -7.863 1.00 0.00 H new ATOM 0 HH11 ARG A 463 -8.227 -3.518 -5.132 1.00 0.00 H new ATOM 0 HH12 ARG A 463 -9.776 -3.564 -4.284 1.00 0.00 H new ATOM 0 HH21 ARG A 463 -11.513 -1.783 -6.721 1.00 0.00 H new ATOM 0 HH22 ARG A 463 -11.587 -2.607 -5.160 1.00 0.00 H new ATOM 445 N PHE A 464 -7.065 0.969 -10.860 1.00 0.00 N ATOM 446 CA PHE A 464 -7.554 2.353 -10.861 1.00 0.00 C ATOM 447 C PHE A 464 -7.143 3.159 -12.106 1.00 0.00 C ATOM 448 O PHE A 464 -7.647 4.265 -12.301 1.00 0.00 O ATOM 449 CB PHE A 464 -7.043 3.024 -9.577 1.00 0.00 C ATOM 450 CG PHE A 464 -7.509 2.337 -8.304 1.00 0.00 C ATOM 451 CD1 PHE A 464 -8.885 2.158 -8.071 1.00 0.00 C ATOM 452 CD2 PHE A 464 -6.578 1.807 -7.391 1.00 0.00 C ATOM 453 CE1 PHE A 464 -9.329 1.449 -6.945 1.00 0.00 C ATOM 454 CE2 PHE A 464 -7.022 1.082 -6.270 1.00 0.00 C ATOM 455 CZ PHE A 464 -8.397 0.909 -6.041 1.00 0.00 C ATOM 0 H PHE A 464 -6.100 0.895 -10.537 1.00 0.00 H new ATOM 0 HA PHE A 464 -8.643 2.332 -10.893 1.00 0.00 H new ATOM 0 HB2 PHE A 464 -5.953 3.039 -9.594 1.00 0.00 H new ATOM 0 HB3 PHE A 464 -7.376 4.062 -9.562 1.00 0.00 H new ATOM 0 HD1 PHE A 464 -9.604 2.569 -8.764 1.00 0.00 H new ATOM 0 HD2 PHE A 464 -5.521 1.957 -7.551 1.00 0.00 H new ATOM 0 HE1 PHE A 464 -10.387 1.318 -6.772 1.00 0.00 H new ATOM 0 HE2 PHE A 464 -6.304 0.658 -5.584 1.00 0.00 H new ATOM 0 HZ PHE A 464 -8.737 0.363 -5.174 1.00 0.00 H new ATOM 465 N GLY A 465 -6.253 2.614 -12.943 1.00 0.00 N ATOM 466 CA GLY A 465 -5.582 3.300 -14.056 1.00 0.00 C ATOM 467 C GLY A 465 -4.051 3.172 -13.974 1.00 0.00 C ATOM 468 O GLY A 465 -3.540 2.666 -12.971 1.00 0.00 O ATOM 0 H GLY A 465 -5.967 1.638 -12.860 1.00 0.00 H new ATOM 0 HA2 GLY A 465 -5.930 2.884 -15.001 1.00 0.00 H new ATOM 0 HA3 GLY A 465 -5.858 4.354 -14.051 1.00 0.00 H new ATOM 472 N PRO A 466 -3.310 3.581 -15.021 1.00 0.00 N ATOM 473 CA PRO A 466 -1.861 3.411 -15.104 1.00 0.00 C ATOM 474 C PRO A 466 -1.101 4.346 -14.150 1.00 0.00 C ATOM 475 O PRO A 466 -1.559 5.444 -13.822 1.00 0.00 O ATOM 476 CB PRO A 466 -1.507 3.645 -16.576 1.00 0.00 C ATOM 477 CG PRO A 466 -2.606 4.586 -17.063 1.00 0.00 C ATOM 478 CD PRO A 466 -3.829 4.138 -16.263 1.00 0.00 C ATOM 0 HA PRO A 466 -1.559 2.414 -14.782 1.00 0.00 H new ATOM 0 HB2 PRO A 466 -0.519 4.092 -16.685 1.00 0.00 H new ATOM 0 HB3 PRO A 466 -1.499 2.712 -17.140 1.00 0.00 H new ATOM 0 HG2 PRO A 466 -2.358 5.629 -16.869 1.00 0.00 H new ATOM 0 HG3 PRO A 466 -2.770 4.492 -18.136 1.00 0.00 H new ATOM 0 HD2 PRO A 466 -4.496 4.977 -16.066 1.00 0.00 H new ATOM 0 HD3 PRO A 466 -4.406 3.395 -16.814 1.00 0.00 H new ATOM 486 N LEU A 467 0.076 3.884 -13.709 1.00 0.00 N ATOM 487 CA LEU A 467 0.883 4.482 -12.642 1.00 0.00 C ATOM 488 C LEU A 467 2.355 4.019 -12.679 1.00 0.00 C ATOM 489 O LEU A 467 2.705 3.097 -13.417 1.00 0.00 O ATOM 490 CB LEU A 467 0.238 4.179 -11.261 1.00 0.00 C ATOM 491 CG LEU A 467 0.387 2.735 -10.719 1.00 0.00 C ATOM 492 CD1 LEU A 467 0.169 2.728 -9.202 1.00 0.00 C ATOM 493 CD2 LEU A 467 -0.602 1.748 -11.356 1.00 0.00 C ATOM 0 H LEU A 467 0.508 3.049 -14.103 1.00 0.00 H new ATOM 0 HA LEU A 467 0.897 5.560 -12.805 1.00 0.00 H new ATOM 0 HB2 LEU A 467 0.668 4.862 -10.529 1.00 0.00 H new ATOM 0 HB3 LEU A 467 -0.825 4.409 -11.326 1.00 0.00 H new ATOM 0 HG LEU A 467 1.395 2.410 -10.976 1.00 0.00 H new ATOM 0 HD11 LEU A 467 0.274 1.711 -8.824 1.00 0.00 H new ATOM 0 HD12 LEU A 467 0.909 3.371 -8.725 1.00 0.00 H new ATOM 0 HD13 LEU A 467 -0.832 3.097 -8.976 1.00 0.00 H new ATOM 0 HD21 LEU A 467 -0.447 0.755 -10.935 1.00 0.00 H new ATOM 0 HD22 LEU A 467 -1.622 2.073 -11.153 1.00 0.00 H new ATOM 0 HD23 LEU A 467 -0.440 1.715 -12.433 1.00 0.00 H new ATOM 505 N VAL A 468 3.193 4.626 -11.834 1.00 0.00 N ATOM 506 CA VAL A 468 4.564 4.185 -11.510 1.00 0.00 C ATOM 507 C VAL A 468 4.770 4.226 -9.983 1.00 0.00 C ATOM 508 O VAL A 468 4.022 4.914 -9.288 1.00 0.00 O ATOM 509 CB VAL A 468 5.638 4.984 -12.297 1.00 0.00 C ATOM 510 CG1 VAL A 468 5.989 6.354 -11.723 1.00 0.00 C ATOM 511 CG2 VAL A 468 6.917 4.156 -12.472 1.00 0.00 C ATOM 0 H VAL A 468 2.929 5.474 -11.333 1.00 0.00 H new ATOM 0 HA VAL A 468 4.691 3.152 -11.835 1.00 0.00 H new ATOM 0 HB VAL A 468 5.171 5.181 -13.262 1.00 0.00 H new ATOM 0 HG11 VAL A 468 6.747 6.827 -12.347 1.00 0.00 H new ATOM 0 HG12 VAL A 468 5.096 6.979 -11.701 1.00 0.00 H new ATOM 0 HG13 VAL A 468 6.375 6.236 -10.710 1.00 0.00 H new ATOM 0 HG21 VAL A 468 7.654 4.737 -13.026 1.00 0.00 H new ATOM 0 HG22 VAL A 468 7.320 3.898 -11.493 1.00 0.00 H new ATOM 0 HG23 VAL A 468 6.687 3.243 -13.022 1.00 0.00 H new ATOM 521 N VAL A 469 5.748 3.479 -9.457 1.00 0.00 N ATOM 522 CA VAL A 469 5.953 3.264 -8.010 1.00 0.00 C ATOM 523 C VAL A 469 7.420 3.513 -7.621 1.00 0.00 C ATOM 524 O VAL A 469 8.337 3.085 -8.322 1.00 0.00 O ATOM 525 CB VAL A 469 5.513 1.836 -7.601 1.00 0.00 C ATOM 526 CG1 VAL A 469 5.729 1.564 -6.101 1.00 0.00 C ATOM 527 CG2 VAL A 469 4.027 1.597 -7.929 1.00 0.00 C ATOM 0 H VAL A 469 6.436 2.995 -10.033 1.00 0.00 H new ATOM 0 HA VAL A 469 5.334 3.980 -7.470 1.00 0.00 H new ATOM 0 HB VAL A 469 6.138 1.153 -8.176 1.00 0.00 H new ATOM 0 HG11 VAL A 469 5.405 0.550 -5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 469 6.786 1.673 -5.860 1.00 0.00 H new ATOM 0 HG13 VAL A 469 5.148 2.276 -5.515 1.00 0.00 H new ATOM 0 HG21 VAL A 469 3.747 0.587 -7.631 1.00 0.00 H new ATOM 0 HG22 VAL A 469 3.414 2.318 -7.388 1.00 0.00 H new ATOM 0 HG23 VAL A 469 3.867 1.717 -9.001 1.00 0.00 H new ATOM 537 N ASP A 470 7.625 4.195 -6.490 1.00 0.00 N ATOM 538 CA ASP A 470 8.927 4.634 -5.965 1.00 0.00 C ATOM 539 C ASP A 470 8.940 4.656 -4.420 1.00 0.00 C ATOM 540 O ASP A 470 7.889 4.751 -3.789 1.00 0.00 O ATOM 541 CB ASP A 470 9.234 6.026 -6.549 1.00 0.00 C ATOM 542 CG ASP A 470 10.609 6.565 -6.126 1.00 0.00 C ATOM 543 OD1 ASP A 470 11.630 5.918 -6.459 1.00 0.00 O ATOM 544 OD2 ASP A 470 10.661 7.634 -5.473 1.00 0.00 O ATOM 0 H ASP A 470 6.852 4.471 -5.884 1.00 0.00 H new ATOM 0 HA ASP A 470 9.700 3.927 -6.266 1.00 0.00 H new ATOM 0 HB2 ASP A 470 9.189 5.975 -7.637 1.00 0.00 H new ATOM 0 HB3 ASP A 470 8.462 6.726 -6.230 1.00 0.00 H new ATOM 786 N GLY A 485 8.636 -0.525 4.731 1.00 0.00 N ATOM 787 CA GLY A 485 7.216 -0.900 4.811 1.00 0.00 C ATOM 788 C GLY A 485 6.262 0.110 4.170 1.00 0.00 C ATOM 789 O GLY A 485 5.067 0.079 4.455 1.00 0.00 O ATOM 0 HA2 GLY A 485 7.080 -1.868 4.328 1.00 0.00 H new ATOM 0 HA3 GLY A 485 6.944 -1.025 5.859 1.00 0.00 H new ATOM 793 N TYR A 486 6.756 1.006 3.309 1.00 0.00 N ATOM 794 CA TYR A 486 5.947 2.029 2.633 1.00 0.00 C ATOM 795 C TYR A 486 6.523 2.465 1.275 1.00 0.00 C ATOM 796 O TYR A 486 7.721 2.323 1.021 1.00 0.00 O ATOM 797 CB TYR A 486 5.718 3.235 3.565 1.00 0.00 C ATOM 798 CG TYR A 486 6.933 4.083 3.900 1.00 0.00 C ATOM 799 CD1 TYR A 486 7.399 5.051 2.987 1.00 0.00 C ATOM 800 CD2 TYR A 486 7.544 3.968 5.164 1.00 0.00 C ATOM 801 CE1 TYR A 486 8.465 5.901 3.335 1.00 0.00 C ATOM 802 CE2 TYR A 486 8.606 4.820 5.522 1.00 0.00 C ATOM 803 CZ TYR A 486 9.070 5.791 4.607 1.00 0.00 C ATOM 804 OH TYR A 486 10.083 6.634 4.953 1.00 0.00 O ATOM 0 H TYR A 486 7.744 1.042 3.058 1.00 0.00 H new ATOM 0 HA TYR A 486 4.984 1.571 2.407 1.00 0.00 H new ATOM 0 HB2 TYR A 486 4.969 3.881 3.107 1.00 0.00 H new ATOM 0 HB3 TYR A 486 5.293 2.867 4.499 1.00 0.00 H new ATOM 0 HD1 TYR A 486 6.935 5.141 2.016 1.00 0.00 H new ATOM 0 HD2 TYR A 486 7.196 3.222 5.863 1.00 0.00 H new ATOM 0 HE1 TYR A 486 8.821 6.638 2.630 1.00 0.00 H new ATOM 0 HE2 TYR A 486 9.066 4.731 6.495 1.00 0.00 H new ATOM 0 HH TYR A 486 10.387 6.425 5.861 1.00 0.00 H new ATOM 814 N ALA A 487 5.665 3.020 0.413 1.00 0.00 N ATOM 815 CA ALA A 487 6.012 3.512 -0.921 1.00 0.00 C ATOM 816 C ALA A 487 5.067 4.638 -1.374 1.00 0.00 C ATOM 817 O ALA A 487 4.036 4.900 -0.744 1.00 0.00 O ATOM 818 CB ALA A 487 6.003 2.328 -1.905 1.00 0.00 C ATOM 0 H ALA A 487 4.677 3.142 0.634 1.00 0.00 H new ATOM 0 HA ALA A 487 7.011 3.947 -0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 487 6.260 2.682 -2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 487 6.732 1.584 -1.585 1.00 0.00 H new ATOM 0 HB3 ALA A 487 5.010 1.879 -1.924 1.00 0.00 H new ATOM 824 N PHE A 488 5.421 5.278 -2.488 1.00 0.00 N ATOM 825 CA PHE A 488 4.672 6.339 -3.149 1.00 0.00 C ATOM 826 C PHE A 488 4.252 5.880 -4.551 1.00 0.00 C ATOM 827 O PHE A 488 5.088 5.554 -5.397 1.00 0.00 O ATOM 828 CB PHE A 488 5.536 7.607 -3.234 1.00 0.00 C ATOM 829 CG PHE A 488 5.899 8.224 -1.897 1.00 0.00 C ATOM 830 CD1 PHE A 488 5.057 9.192 -1.315 1.00 0.00 C ATOM 831 CD2 PHE A 488 7.091 7.853 -1.247 1.00 0.00 C ATOM 832 CE1 PHE A 488 5.418 9.799 -0.099 1.00 0.00 C ATOM 833 CE2 PHE A 488 7.444 8.450 -0.023 1.00 0.00 C ATOM 834 CZ PHE A 488 6.611 9.428 0.548 1.00 0.00 C ATOM 0 H PHE A 488 6.287 5.055 -2.979 1.00 0.00 H new ATOM 0 HA PHE A 488 3.775 6.565 -2.572 1.00 0.00 H new ATOM 0 HB2 PHE A 488 6.455 7.367 -3.768 1.00 0.00 H new ATOM 0 HB3 PHE A 488 5.006 8.351 -3.829 1.00 0.00 H new ATOM 0 HD1 PHE A 488 4.134 9.468 -1.803 1.00 0.00 H new ATOM 0 HD2 PHE A 488 7.736 7.108 -1.689 1.00 0.00 H new ATOM 0 HE1 PHE A 488 4.779 10.551 0.339 1.00 0.00 H new ATOM 0 HE2 PHE A 488 8.355 8.157 0.478 1.00 0.00 H new ATOM 0 HZ PHE A 488 6.887 9.894 1.482 1.00 0.00 H new ATOM 844 N LEU A 489 2.942 5.887 -4.792 1.00 0.00 N ATOM 845 CA LEU A 489 2.321 5.704 -6.100 1.00 0.00 C ATOM 846 C LEU A 489 2.246 7.058 -6.807 1.00 0.00 C ATOM 847 O LEU A 489 1.901 8.061 -6.174 1.00 0.00 O ATOM 848 CB LEU A 489 0.891 5.152 -5.940 1.00 0.00 C ATOM 849 CG LEU A 489 0.691 3.979 -4.963 1.00 0.00 C ATOM 850 CD1 LEU A 489 -0.804 3.651 -4.906 1.00 0.00 C ATOM 851 CD2 LEU A 489 1.490 2.731 -5.351 1.00 0.00 C ATOM 0 H LEU A 489 2.257 6.026 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 489 2.916 4.999 -6.681 1.00 0.00 H new ATOM 0 HB2 LEU A 489 0.247 5.971 -5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 489 0.540 4.836 -6.922 1.00 0.00 H new ATOM 0 HG LEU A 489 1.064 4.286 -3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 489 -0.969 2.821 -4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 489 -1.355 4.525 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 489 -1.154 3.373 -5.900 1.00 0.00 H new ATOM 0 HD21 LEU A 489 1.306 1.941 -4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 489 1.180 2.393 -6.340 1.00 0.00 H new ATOM 0 HD23 LEU A 489 2.553 2.970 -5.366 1.00 0.00 H new ATOM 863 N LEU A 490 2.501 7.064 -8.113 1.00 0.00 N ATOM 864 CA LEU A 490 2.331 8.205 -9.011 1.00 0.00 C ATOM 865 C LEU A 490 1.410 7.771 -10.158 1.00 0.00 C ATOM 866 O LEU A 490 1.840 7.014 -11.033 1.00 0.00 O ATOM 867 CB LEU A 490 3.699 8.637 -9.576 1.00 0.00 C ATOM 868 CG LEU A 490 4.843 8.922 -8.589 1.00 0.00 C ATOM 869 CD1 LEU A 490 6.105 9.220 -9.412 1.00 0.00 C ATOM 870 CD2 LEU A 490 4.513 10.090 -7.653 1.00 0.00 C ATOM 0 H LEU A 490 2.848 6.236 -8.597 1.00 0.00 H new ATOM 0 HA LEU A 490 1.897 9.048 -8.473 1.00 0.00 H new ATOM 0 HB2 LEU A 490 4.037 7.858 -10.259 1.00 0.00 H new ATOM 0 HB3 LEU A 490 3.543 9.537 -10.171 1.00 0.00 H new ATOM 0 HG LEU A 490 4.998 8.053 -7.950 1.00 0.00 H new ATOM 0 HD11 LEU A 490 6.937 9.427 -8.740 1.00 0.00 H new ATOM 0 HD12 LEU A 490 6.346 8.358 -10.033 1.00 0.00 H new ATOM 0 HD13 LEU A 490 5.928 10.087 -10.048 1.00 0.00 H new ATOM 0 HD21 LEU A 490 5.348 10.258 -6.972 1.00 0.00 H new ATOM 0 HD22 LEU A 490 4.339 10.990 -8.242 1.00 0.00 H new ATOM 0 HD23 LEU A 490 3.618 9.854 -7.078 1.00 0.00 H new ATOM 882 N PHE A 491 0.154 8.217 -10.152 1.00 0.00 N ATOM 883 CA PHE A 491 -0.822 7.906 -11.204 1.00 0.00 C ATOM 884 C PHE A 491 -0.673 8.857 -12.406 1.00 0.00 C ATOM 885 O PHE A 491 -0.124 9.953 -12.281 1.00 0.00 O ATOM 886 CB PHE A 491 -2.240 7.934 -10.611 1.00 0.00 C ATOM 887 CG PHE A 491 -2.519 6.836 -9.594 1.00 0.00 C ATOM 888 CD1 PHE A 491 -2.212 7.037 -8.234 1.00 0.00 C ATOM 889 CD2 PHE A 491 -3.089 5.611 -9.999 1.00 0.00 C ATOM 890 CE1 PHE A 491 -2.488 6.034 -7.287 1.00 0.00 C ATOM 891 CE2 PHE A 491 -3.346 4.603 -9.055 1.00 0.00 C ATOM 892 CZ PHE A 491 -3.056 4.817 -7.698 1.00 0.00 C ATOM 0 H PHE A 491 -0.221 8.810 -9.412 1.00 0.00 H new ATOM 0 HA PHE A 491 -0.631 6.903 -11.585 1.00 0.00 H new ATOM 0 HB2 PHE A 491 -2.403 8.902 -10.136 1.00 0.00 H new ATOM 0 HB3 PHE A 491 -2.962 7.852 -11.423 1.00 0.00 H new ATOM 0 HD1 PHE A 491 -1.762 7.966 -7.917 1.00 0.00 H new ATOM 0 HD2 PHE A 491 -3.329 5.447 -11.039 1.00 0.00 H new ATOM 0 HE1 PHE A 491 -2.263 6.200 -6.244 1.00 0.00 H new ATOM 0 HE2 PHE A 491 -3.768 3.661 -9.374 1.00 0.00 H new ATOM 0 HZ PHE A 491 -3.269 4.047 -6.971 1.00 0.00 H new ATOM 902 N GLN A 492 -1.169 8.455 -13.581 1.00 0.00 N ATOM 903 CA GLN A 492 -1.098 9.275 -14.800 1.00 0.00 C ATOM 904 C GLN A 492 -2.288 10.246 -14.954 1.00 0.00 C ATOM 905 O GLN A 492 -2.143 11.282 -15.603 1.00 0.00 O ATOM 906 CB GLN A 492 -0.949 8.355 -16.020 1.00 0.00 C ATOM 907 CG GLN A 492 0.392 7.593 -16.017 1.00 0.00 C ATOM 908 CD GLN A 492 0.638 6.744 -17.270 1.00 0.00 C ATOM 909 OE1 GLN A 492 -0.049 6.822 -18.281 1.00 0.00 O ATOM 910 NE2 GLN A 492 1.645 5.895 -17.257 1.00 0.00 N ATOM 0 H GLN A 492 -1.630 7.555 -13.716 1.00 0.00 H new ATOM 0 HA GLN A 492 -0.220 9.916 -14.720 1.00 0.00 H new ATOM 0 HB2 GLN A 492 -1.771 7.639 -16.035 1.00 0.00 H new ATOM 0 HB3 GLN A 492 -1.025 8.948 -16.931 1.00 0.00 H new ATOM 0 HG2 GLN A 492 1.205 8.312 -15.914 1.00 0.00 H new ATOM 0 HG3 GLN A 492 0.427 6.945 -15.141 1.00 0.00 H new ATOM 0 HE21 GLN A 492 2.231 5.812 -16.427 1.00 0.00 H new ATOM 0 HE22 GLN A 492 1.838 5.321 -18.077 1.00 0.00 H new ATOM 919 N GLU A 493 -3.427 9.976 -14.303 1.00 0.00 N ATOM 920 CA GLU A 493 -4.603 10.849 -14.219 1.00 0.00 C ATOM 921 C GLU A 493 -5.054 10.996 -12.757 1.00 0.00 C ATOM 922 O GLU A 493 -4.987 10.042 -11.979 1.00 0.00 O ATOM 923 CB GLU A 493 -5.770 10.266 -15.034 1.00 0.00 C ATOM 924 CG GLU A 493 -5.564 10.259 -16.556 1.00 0.00 C ATOM 925 CD GLU A 493 -4.626 9.163 -17.093 1.00 0.00 C ATOM 926 OE1 GLU A 493 -4.683 8.006 -16.614 1.00 0.00 O ATOM 927 OE2 GLU A 493 -3.879 9.439 -18.063 1.00 0.00 O ATOM 0 H GLU A 493 -3.559 9.100 -13.797 1.00 0.00 H new ATOM 0 HA GLU A 493 -4.325 11.823 -14.623 1.00 0.00 H new ATOM 0 HB2 GLU A 493 -5.949 9.243 -14.703 1.00 0.00 H new ATOM 0 HB3 GLU A 493 -6.671 10.836 -14.808 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -6.536 10.148 -17.036 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -5.169 11.230 -16.856 1.00 0.00 H new ATOM 934 N GLU A 494 -5.546 12.178 -12.370 1.00 0.00 N ATOM 935 CA GLU A 494 -6.058 12.426 -11.014 1.00 0.00 C ATOM 936 C GLU A 494 -7.324 11.598 -10.735 1.00 0.00 C ATOM 937 O GLU A 494 -7.541 11.138 -9.613 1.00 0.00 O ATOM 938 CB GLU A 494 -6.356 13.919 -10.789 1.00 0.00 C ATOM 939 CG GLU A 494 -5.158 14.863 -11.007 1.00 0.00 C ATOM 940 CD GLU A 494 -4.775 15.095 -12.477 1.00 0.00 C ATOM 941 OE1 GLU A 494 -5.620 14.872 -13.374 1.00 0.00 O ATOM 942 OE2 GLU A 494 -3.611 15.475 -12.736 1.00 0.00 O ATOM 0 H GLU A 494 -5.601 12.990 -12.985 1.00 0.00 H new ATOM 0 HA GLU A 494 -5.277 12.118 -10.319 1.00 0.00 H new ATOM 0 HB2 GLU A 494 -7.162 14.218 -11.460 1.00 0.00 H new ATOM 0 HB3 GLU A 494 -6.723 14.051 -9.771 1.00 0.00 H new ATOM 0 HG2 GLU A 494 -5.385 15.826 -10.550 1.00 0.00 H new ATOM 0 HG3 GLU A 494 -4.294 14.457 -10.481 1.00 0.00 H new ATOM 949 N SER A 495 -8.119 11.315 -11.769 1.00 0.00 N ATOM 950 CA SER A 495 -9.286 10.425 -11.711 1.00 0.00 C ATOM 951 C SER A 495 -8.942 9.025 -11.173 1.00 0.00 C ATOM 952 O SER A 495 -9.774 8.393 -10.526 1.00 0.00 O ATOM 953 CB SER A 495 -9.907 10.291 -13.110 1.00 0.00 C ATOM 954 OG SER A 495 -10.172 11.568 -13.683 1.00 0.00 O ATOM 0 H SER A 495 -7.966 11.709 -12.697 1.00 0.00 H new ATOM 0 HA SER A 495 -9.995 10.877 -11.017 1.00 0.00 H new ATOM 0 HB2 SER A 495 -9.232 9.732 -13.758 1.00 0.00 H new ATOM 0 HB3 SER A 495 -10.833 9.719 -13.046 1.00 0.00 H new ATOM 0 HG SER A 495 -10.565 11.452 -14.573 1.00 0.00 H new ATOM 960 N SER A 496 -7.702 8.556 -11.349 1.00 0.00 N ATOM 961 CA SER A 496 -7.232 7.286 -10.787 1.00 0.00 C ATOM 962 C SER A 496 -7.043 7.364 -9.262 1.00 0.00 C ATOM 963 O SER A 496 -7.257 6.374 -8.562 1.00 0.00 O ATOM 964 CB SER A 496 -5.905 6.878 -11.441 1.00 0.00 C ATOM 965 OG SER A 496 -5.957 6.965 -12.861 1.00 0.00 O ATOM 0 H SER A 496 -6.992 9.051 -11.889 1.00 0.00 H new ATOM 0 HA SER A 496 -7.998 6.539 -10.996 1.00 0.00 H new ATOM 0 HB2 SER A 496 -5.106 7.519 -11.068 1.00 0.00 H new ATOM 0 HB3 SER A 496 -5.657 5.857 -11.150 1.00 0.00 H new ATOM 0 HG SER A 496 -5.092 6.698 -13.237 1.00 0.00 H new ATOM 971 N VAL A 497 -6.718 8.545 -8.723 1.00 0.00 N ATOM 972 CA VAL A 497 -6.627 8.768 -7.269 1.00 0.00 C ATOM 973 C VAL A 497 -8.032 8.872 -6.669 1.00 0.00 C ATOM 974 O VAL A 497 -8.278 8.322 -5.600 1.00 0.00 O ATOM 975 CB VAL A 497 -5.772 10.006 -6.909 1.00 0.00 C ATOM 976 CG1 VAL A 497 -5.685 10.218 -5.387 1.00 0.00 C ATOM 977 CG2 VAL A 497 -4.347 9.853 -7.466 1.00 0.00 C ATOM 0 H VAL A 497 -6.510 9.374 -9.279 1.00 0.00 H new ATOM 0 HA VAL A 497 -6.116 7.909 -6.835 1.00 0.00 H new ATOM 0 HB VAL A 497 -6.261 10.871 -7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 497 -5.076 11.097 -5.176 1.00 0.00 H new ATOM 0 HG12 VAL A 497 -6.686 10.365 -4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 497 -5.231 9.342 -4.923 1.00 0.00 H new ATOM 0 HG21 VAL A 497 -3.758 10.732 -7.204 1.00 0.00 H new ATOM 0 HG22 VAL A 497 -3.883 8.964 -7.038 1.00 0.00 H new ATOM 0 HG23 VAL A 497 -4.389 9.754 -8.551 1.00 0.00 H new ATOM 987 N GLN A 498 -8.986 9.491 -7.373 1.00 0.00 N ATOM 988 CA GLN A 498 -10.390 9.503 -6.953 1.00 0.00 C ATOM 989 C GLN A 498 -11.014 8.101 -7.004 1.00 0.00 C ATOM 990 O GLN A 498 -11.769 7.745 -6.100 1.00 0.00 O ATOM 991 CB GLN A 498 -11.164 10.486 -7.846 1.00 0.00 C ATOM 992 CG GLN A 498 -12.663 10.622 -7.515 1.00 0.00 C ATOM 993 CD GLN A 498 -12.942 11.074 -6.079 1.00 0.00 C ATOM 994 OE1 GLN A 498 -13.024 12.257 -5.772 1.00 0.00 O ATOM 995 NE2 GLN A 498 -13.095 10.155 -5.146 1.00 0.00 N ATOM 0 H GLN A 498 -8.808 9.994 -8.243 1.00 0.00 H new ATOM 0 HA GLN A 498 -10.445 9.828 -5.914 1.00 0.00 H new ATOM 0 HB2 GLN A 498 -10.699 11.469 -7.767 1.00 0.00 H new ATOM 0 HB3 GLN A 498 -11.063 10.168 -8.884 1.00 0.00 H new ATOM 0 HG2 GLN A 498 -13.114 11.336 -8.204 1.00 0.00 H new ATOM 0 HG3 GLN A 498 -13.151 9.662 -7.685 1.00 0.00 H new ATOM 0 HE21 GLN A 498 -13.029 9.166 -5.388 1.00 0.00 H new ATOM 0 HE22 GLN A 498 -13.279 10.433 -4.182 1.00 0.00 H new ATOM 1004 N ALA A 499 -10.675 7.288 -8.009 1.00 0.00 N ATOM 1005 CA ALA A 499 -11.095 5.886 -8.087 1.00 0.00 C ATOM 1006 C ALA A 499 -10.542 5.043 -6.924 1.00 0.00 C ATOM 1007 O ALA A 499 -11.259 4.199 -6.384 1.00 0.00 O ATOM 1008 CB ALA A 499 -10.663 5.301 -9.436 1.00 0.00 C ATOM 0 H ALA A 499 -10.098 7.586 -8.796 1.00 0.00 H new ATOM 0 HA ALA A 499 -12.181 5.854 -8.003 1.00 0.00 H new ATOM 0 HB1 ALA A 499 -10.974 4.258 -9.497 1.00 0.00 H new ATOM 0 HB2 ALA A 499 -11.128 5.866 -10.243 1.00 0.00 H new ATOM 0 HB3 ALA A 499 -9.579 5.362 -9.529 1.00 0.00 H new ATOM 1014 N LEU A 500 -9.296 5.304 -6.504 1.00 0.00 N ATOM 1015 CA LEU A 500 -8.713 4.712 -5.300 1.00 0.00 C ATOM 1016 C LEU A 500 -9.472 5.164 -4.043 1.00 0.00 C ATOM 1017 O LEU A 500 -9.886 4.323 -3.248 1.00 0.00 O ATOM 1018 CB LEU A 500 -7.204 5.029 -5.264 1.00 0.00 C ATOM 1019 CG LEU A 500 -6.483 4.693 -3.943 1.00 0.00 C ATOM 1020 CD1 LEU A 500 -6.641 3.231 -3.515 1.00 0.00 C ATOM 1021 CD2 LEU A 500 -4.987 5.001 -4.101 1.00 0.00 C ATOM 0 H LEU A 500 -8.664 5.936 -6.996 1.00 0.00 H new ATOM 0 HA LEU A 500 -8.816 3.627 -5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -6.717 4.483 -6.072 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -7.069 6.091 -5.471 1.00 0.00 H new ATOM 0 HG LEU A 500 -6.943 5.305 -3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -6.108 3.067 -2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -7.698 3.005 -3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -6.229 2.580 -4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -4.467 4.767 -3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -4.575 4.397 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -4.856 6.058 -4.334 1.00 0.00 H new ATOM 1033 N ILE A 501 -9.722 6.468 -3.882 1.00 0.00 N ATOM 1034 CA ILE A 501 -10.504 7.033 -2.761 1.00 0.00 C ATOM 1035 C ILE A 501 -11.899 6.390 -2.671 1.00 0.00 C ATOM 1036 O ILE A 501 -12.350 6.050 -1.578 1.00 0.00 O ATOM 1037 CB ILE A 501 -10.579 8.577 -2.886 1.00 0.00 C ATOM 1038 CG1 ILE A 501 -9.191 9.221 -2.665 1.00 0.00 C ATOM 1039 CG2 ILE A 501 -11.588 9.173 -1.883 1.00 0.00 C ATOM 1040 CD1 ILE A 501 -9.068 10.665 -3.164 1.00 0.00 C ATOM 0 H ILE A 501 -9.384 7.177 -4.533 1.00 0.00 H new ATOM 0 HA ILE A 501 -9.994 6.799 -1.827 1.00 0.00 H new ATOM 0 HB ILE A 501 -10.917 8.800 -3.898 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -8.960 9.198 -1.600 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -8.439 8.612 -3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -11.617 10.257 -1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -12.579 8.762 -2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 501 -11.282 8.922 -0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 501 -8.061 11.034 -2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 501 -9.263 10.697 -4.236 1.00 0.00 H new ATOM 0 HD13 ILE A 501 -9.792 11.292 -2.645 1.00 0.00 H new ATOM 1052 N ASP A 502 -12.558 6.161 -3.809 1.00 0.00 N ATOM 1053 CA ASP A 502 -13.882 5.529 -3.897 1.00 0.00 C ATOM 1054 C ASP A 502 -13.882 4.026 -3.533 1.00 0.00 C ATOM 1055 O ASP A 502 -14.934 3.475 -3.202 1.00 0.00 O ATOM 1056 CB ASP A 502 -14.439 5.765 -5.310 1.00 0.00 C ATOM 1057 CG ASP A 502 -15.904 5.318 -5.456 1.00 0.00 C ATOM 1058 OD1 ASP A 502 -16.789 5.948 -4.829 1.00 0.00 O ATOM 1059 OD2 ASP A 502 -16.171 4.365 -6.228 1.00 0.00 O ATOM 0 H ASP A 502 -12.178 6.416 -4.721 1.00 0.00 H new ATOM 0 HA ASP A 502 -14.526 5.994 -3.150 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -14.361 6.825 -5.554 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -13.826 5.226 -6.032 1.00 0.00 H new ATOM 1064 N ALA A 503 -12.713 3.372 -3.539 1.00 0.00 N ATOM 1065 CA ALA A 503 -12.524 1.981 -3.117 1.00 0.00 C ATOM 1066 C ALA A 503 -11.958 1.847 -1.688 1.00 0.00 C ATOM 1067 O ALA A 503 -12.002 0.757 -1.111 1.00 0.00 O ATOM 1068 CB ALA A 503 -11.614 1.298 -4.143 1.00 0.00 C ATOM 0 H ALA A 503 -11.846 3.812 -3.848 1.00 0.00 H new ATOM 0 HA ALA A 503 -13.498 1.493 -3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -11.455 0.259 -3.854 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -12.083 1.334 -5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -10.655 1.815 -4.180 1.00 0.00 H new ATOM 1074 N CYS A 504 -11.446 2.935 -1.103 1.00 0.00 N ATOM 1075 CA CYS A 504 -10.859 2.945 0.236 1.00 0.00 C ATOM 1076 C CYS A 504 -11.906 2.902 1.365 1.00 0.00 C ATOM 1077 O CYS A 504 -13.010 3.447 1.257 1.00 0.00 O ATOM 1078 CB CYS A 504 -9.997 4.205 0.407 1.00 0.00 C ATOM 1079 SG CYS A 504 -8.420 4.051 -0.473 1.00 0.00 S ATOM 0 H CYS A 504 -11.429 3.848 -1.557 1.00 0.00 H new ATOM 0 HA CYS A 504 -10.259 2.039 0.319 1.00 0.00 H new ATOM 0 HB2 CYS A 504 -10.540 5.073 0.034 1.00 0.00 H new ATOM 0 HB3 CYS A 504 -9.809 4.378 1.467 1.00 0.00 H new ATOM 0 HG CYS A 504 -8.627 4.141 -1.753 1.00 0.00 H new ATOM 1085 N LEU A 505 -11.504 2.289 2.479 1.00 0.00 N ATOM 1086 CA LEU A 505 -12.163 2.381 3.784 1.00 0.00 C ATOM 1087 C LEU A 505 -11.657 3.658 4.477 1.00 0.00 C ATOM 1088 O LEU A 505 -10.731 4.308 3.987 1.00 0.00 O ATOM 1089 CB LEU A 505 -11.841 1.122 4.617 1.00 0.00 C ATOM 1090 CG LEU A 505 -12.372 -0.194 4.019 1.00 0.00 C ATOM 1091 CD1 LEU A 505 -11.836 -1.381 4.831 1.00 0.00 C ATOM 1092 CD2 LEU A 505 -13.908 -0.241 3.985 1.00 0.00 C ATOM 0 H LEU A 505 -10.678 1.691 2.498 1.00 0.00 H new ATOM 0 HA LEU A 505 -13.246 2.434 3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 505 -10.760 1.044 4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 505 -12.258 1.247 5.616 1.00 0.00 H new ATOM 0 HG LEU A 505 -12.021 -0.252 2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 505 -12.213 -2.312 4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 505 -10.746 -1.382 4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 505 -12.168 -1.294 5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 505 -14.234 -1.188 3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 505 -14.297 -0.150 4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 505 -14.284 0.582 3.377 1.00 0.00 H new ATOM 1104 N GLU A 506 -12.231 4.011 5.624 1.00 0.00 N ATOM 1105 CA GLU A 506 -11.929 5.263 6.331 1.00 0.00 C ATOM 1106 C GLU A 506 -11.989 5.084 7.856 1.00 0.00 C ATOM 1107 O GLU A 506 -12.903 4.440 8.377 1.00 0.00 O ATOM 1108 CB GLU A 506 -12.894 6.365 5.856 1.00 0.00 C ATOM 1109 CG GLU A 506 -12.541 7.757 6.398 1.00 0.00 C ATOM 1110 CD GLU A 506 -13.549 8.806 5.907 1.00 0.00 C ATOM 1111 OE1 GLU A 506 -14.597 8.996 6.570 1.00 0.00 O ATOM 1112 OE2 GLU A 506 -13.303 9.451 4.862 1.00 0.00 O ATOM 0 H GLU A 506 -12.926 3.434 6.097 1.00 0.00 H new ATOM 0 HA GLU A 506 -10.907 5.560 6.093 1.00 0.00 H new ATOM 0 HB2 GLU A 506 -12.891 6.396 4.766 1.00 0.00 H new ATOM 0 HB3 GLU A 506 -13.907 6.109 6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 506 -12.533 7.736 7.488 1.00 0.00 H new ATOM 0 HG3 GLU A 506 -11.537 8.033 6.077 1.00 0.00 H new ATOM 1175 N LEU A 511 -7.425 7.060 5.167 1.00 0.00 N ATOM 1176 CA LEU A 511 -7.966 6.055 4.245 1.00 0.00 C ATOM 1177 C LEU A 511 -7.169 4.747 4.308 1.00 0.00 C ATOM 1178 O LEU A 511 -5.998 4.743 4.688 1.00 0.00 O ATOM 1179 CB LEU A 511 -7.996 6.627 2.813 1.00 0.00 C ATOM 1180 CG LEU A 511 -8.924 7.838 2.595 1.00 0.00 C ATOM 1181 CD1 LEU A 511 -8.776 8.326 1.146 1.00 0.00 C ATOM 1182 CD2 LEU A 511 -10.397 7.506 2.873 1.00 0.00 C ATOM 0 HA LEU A 511 -8.985 5.817 4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 511 -6.982 6.915 2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 511 -8.299 5.833 2.131 1.00 0.00 H new ATOM 0 HG LEU A 511 -8.628 8.615 3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 511 -9.429 9.183 0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 511 -7.742 8.618 0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 511 -9.052 7.524 0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 511 -11.008 8.393 2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 511 -10.723 6.709 2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 511 -10.508 7.180 3.907 1.00 0.00 H new ATOM 1194 N TYR A 512 -7.796 3.633 3.921 1.00 0.00 N ATOM 1195 CA TYR A 512 -7.180 2.297 3.930 1.00 0.00 C ATOM 1196 C TYR A 512 -7.647 1.412 2.760 1.00 0.00 C ATOM 1197 O TYR A 512 -8.808 1.456 2.355 1.00 0.00 O ATOM 1198 CB TYR A 512 -7.426 1.575 5.274 1.00 0.00 C ATOM 1199 CG TYR A 512 -6.915 2.292 6.515 1.00 0.00 C ATOM 1200 CD1 TYR A 512 -7.671 3.330 7.099 1.00 0.00 C ATOM 1201 CD2 TYR A 512 -5.683 1.920 7.091 1.00 0.00 C ATOM 1202 CE1 TYR A 512 -7.179 4.023 8.220 1.00 0.00 C ATOM 1203 CE2 TYR A 512 -5.202 2.586 8.234 1.00 0.00 C ATOM 1204 CZ TYR A 512 -5.948 3.647 8.800 1.00 0.00 C ATOM 1205 OH TYR A 512 -5.490 4.298 9.908 1.00 0.00 O ATOM 0 H TYR A 512 -8.760 3.630 3.587 1.00 0.00 H new ATOM 0 HA TYR A 512 -6.110 2.460 3.804 1.00 0.00 H new ATOM 0 HB2 TYR A 512 -8.498 1.413 5.387 1.00 0.00 H new ATOM 0 HB3 TYR A 512 -6.958 0.592 5.227 1.00 0.00 H new ATOM 0 HD1 TYR A 512 -8.632 3.594 6.683 1.00 0.00 H new ATOM 0 HD2 TYR A 512 -5.105 1.120 6.653 1.00 0.00 H new ATOM 0 HE1 TYR A 512 -7.744 4.844 8.637 1.00 0.00 H new ATOM 0 HE2 TYR A 512 -4.264 2.287 8.679 1.00 0.00 H new ATOM 0 HH TYR A 512 -4.630 3.915 10.180 1.00 0.00 H new ATOM 1215 N LEU A 513 -6.746 0.565 2.256 1.00 0.00 N ATOM 1216 CA LEU A 513 -6.994 -0.480 1.251 1.00 0.00 C ATOM 1217 C LEU A 513 -6.365 -1.800 1.747 1.00 0.00 C ATOM 1218 O LEU A 513 -5.818 -1.825 2.850 1.00 0.00 O ATOM 1219 CB LEU A 513 -6.411 -0.005 -0.100 1.00 0.00 C ATOM 1220 CG LEU A 513 -7.154 -0.555 -1.332 1.00 0.00 C ATOM 1221 CD1 LEU A 513 -8.448 0.242 -1.573 1.00 0.00 C ATOM 1222 CD2 LEU A 513 -6.279 -0.469 -2.586 1.00 0.00 C ATOM 0 H LEU A 513 -5.770 0.588 2.552 1.00 0.00 H new ATOM 0 HA LEU A 513 -8.059 -0.662 1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -6.434 1.084 -0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 513 -5.364 -0.303 -0.157 1.00 0.00 H new ATOM 0 HG LEU A 513 -7.393 -1.600 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -8.964 -0.157 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -9.095 0.158 -0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 513 -8.203 1.290 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -6.828 -0.864 -3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -6.014 0.571 -2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -5.371 -1.053 -2.437 1.00 0.00 H new ATOM 1234 N CYS A 514 -6.402 -2.884 0.962 1.00 0.00 N ATOM 1235 CA CYS A 514 -5.805 -4.183 1.316 1.00 0.00 C ATOM 1236 C CYS A 514 -4.901 -4.747 0.201 1.00 0.00 C ATOM 1237 O CYS A 514 -5.191 -4.561 -0.982 1.00 0.00 O ATOM 1238 CB CYS A 514 -6.916 -5.178 1.697 1.00 0.00 C ATOM 1239 SG CYS A 514 -7.709 -4.687 3.257 1.00 0.00 S ATOM 0 H CYS A 514 -6.854 -2.886 0.048 1.00 0.00 H new ATOM 0 HA CYS A 514 -5.155 -4.027 2.177 1.00 0.00 H new ATOM 0 HB2 CYS A 514 -7.661 -5.221 0.902 1.00 0.00 H new ATOM 0 HB3 CYS A 514 -6.497 -6.179 1.796 1.00 0.00 H new ATOM 0 HG CYS A 514 -7.268 -3.519 3.619 1.00 0.00 H new ATOM 1245 N VAL A 515 -3.829 -5.452 0.585 1.00 0.00 N ATOM 1246 CA VAL A 515 -2.788 -6.030 -0.302 1.00 0.00 C ATOM 1247 C VAL A 515 -2.197 -7.328 0.289 1.00 0.00 C ATOM 1248 O VAL A 515 -2.560 -7.733 1.393 1.00 0.00 O ATOM 1249 CB VAL A 515 -1.651 -5.017 -0.619 1.00 0.00 C ATOM 1250 CG1 VAL A 515 -2.133 -3.781 -1.396 1.00 0.00 C ATOM 1251 CG2 VAL A 515 -0.913 -4.561 0.649 1.00 0.00 C ATOM 0 H VAL A 515 -3.647 -5.649 1.569 1.00 0.00 H new ATOM 0 HA VAL A 515 -3.287 -6.271 -1.241 1.00 0.00 H new ATOM 0 HB VAL A 515 -0.961 -5.567 -1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -1.289 -3.117 -1.583 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -2.566 -4.094 -2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -2.886 -3.254 -0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -0.128 -3.855 0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -1.618 -4.079 1.327 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -0.469 -5.426 1.142 1.00 0.00 H new ATOM 1261 N SER A 516 -1.283 -7.987 -0.429 1.00 0.00 N ATOM 1262 CA SER A 516 -0.699 -9.292 -0.066 1.00 0.00 C ATOM 1263 C SER A 516 0.628 -9.586 -0.805 1.00 0.00 C ATOM 1264 O SER A 516 1.027 -8.870 -1.724 1.00 0.00 O ATOM 1265 CB SER A 516 -1.726 -10.414 -0.319 1.00 0.00 C ATOM 1266 OG SER A 516 -2.128 -10.483 -1.683 1.00 0.00 O ATOM 0 H SER A 516 -0.914 -7.620 -1.307 1.00 0.00 H new ATOM 0 HA SER A 516 -0.455 -9.253 0.996 1.00 0.00 H new ATOM 0 HB2 SER A 516 -1.296 -11.370 -0.021 1.00 0.00 H new ATOM 0 HB3 SER A 516 -2.602 -10.249 0.308 1.00 0.00 H new ATOM 0 HG SER A 516 -2.777 -11.208 -1.796 1.00 0.00 H new ATOM 1272 N SER A 517 1.325 -10.651 -0.404 1.00 0.00 N ATOM 1273 CA SER A 517 2.621 -11.106 -0.928 1.00 0.00 C ATOM 1274 C SER A 517 2.788 -12.631 -0.717 1.00 0.00 C ATOM 1275 O SER A 517 1.903 -13.265 -0.123 1.00 0.00 O ATOM 1276 CB SER A 517 3.746 -10.333 -0.213 1.00 0.00 C ATOM 1277 OG SER A 517 3.954 -10.857 1.093 1.00 0.00 O ATOM 0 H SER A 517 0.982 -11.258 0.340 1.00 0.00 H new ATOM 0 HA SER A 517 2.670 -10.912 -1.999 1.00 0.00 H new ATOM 0 HB2 SER A 517 4.668 -10.402 -0.791 1.00 0.00 H new ATOM 0 HB3 SER A 517 3.487 -9.276 -0.151 1.00 0.00 H new ATOM 0 HG SER A 517 4.770 -10.471 1.474 1.00 0.00 H new ATOM 1283 N PRO A 518 3.916 -13.254 -1.125 1.00 0.00 N ATOM 1284 CA PRO A 518 4.225 -14.643 -0.783 1.00 0.00 C ATOM 1285 C PRO A 518 4.319 -14.920 0.728 1.00 0.00 C ATOM 1286 O PRO A 518 4.165 -16.075 1.129 1.00 0.00 O ATOM 1287 CB PRO A 518 5.552 -14.960 -1.484 1.00 0.00 C ATOM 1288 CG PRO A 518 5.581 -13.975 -2.649 1.00 0.00 C ATOM 1289 CD PRO A 518 4.921 -12.740 -2.042 1.00 0.00 C ATOM 0 HA PRO A 518 3.409 -15.285 -1.115 1.00 0.00 H new ATOM 0 HB2 PRO A 518 6.402 -14.819 -0.817 1.00 0.00 H new ATOM 0 HB3 PRO A 518 5.587 -15.993 -1.830 1.00 0.00 H new ATOM 0 HG2 PRO A 518 6.598 -13.770 -2.984 1.00 0.00 H new ATOM 0 HG3 PRO A 518 5.030 -14.349 -3.512 1.00 0.00 H new ATOM 0 HD2 PRO A 518 5.650 -12.121 -1.520 1.00 0.00 H new ATOM 0 HD3 PRO A 518 4.468 -12.117 -2.813 1.00 0.00 H new ATOM 1297 N THR A 519 4.527 -13.889 1.565 1.00 0.00 N ATOM 1298 CA THR A 519 4.739 -14.009 3.019 1.00 0.00 C ATOM 1299 C THR A 519 3.624 -13.402 3.870 1.00 0.00 C ATOM 1300 O THR A 519 3.482 -13.787 5.030 1.00 0.00 O ATOM 1301 CB THR A 519 6.080 -13.374 3.414 1.00 0.00 C ATOM 1302 OG1 THR A 519 6.110 -12.031 2.984 1.00 0.00 O ATOM 1303 CG2 THR A 519 7.270 -14.106 2.790 1.00 0.00 C ATOM 0 H THR A 519 4.553 -12.922 1.240 1.00 0.00 H new ATOM 0 HA THR A 519 4.739 -15.079 3.226 1.00 0.00 H new ATOM 0 HB THR A 519 6.163 -13.441 4.499 1.00 0.00 H new ATOM 0 HG1 THR A 519 6.965 -11.625 3.238 1.00 0.00 H new ATOM 0 HG21 THR A 519 8.197 -13.622 3.097 1.00 0.00 H new ATOM 0 HG22 THR A 519 7.275 -15.144 3.124 1.00 0.00 H new ATOM 0 HG23 THR A 519 7.187 -14.075 1.704 1.00 0.00 H new ATOM 1311 N ILE A 520 2.807 -12.500 3.317 1.00 0.00 N ATOM 1312 CA ILE A 520 1.786 -11.713 4.037 1.00 0.00 C ATOM 1313 C ILE A 520 0.449 -11.758 3.283 1.00 0.00 C ATOM 1314 O ILE A 520 0.408 -11.604 2.064 1.00 0.00 O ATOM 1315 CB ILE A 520 2.299 -10.260 4.210 1.00 0.00 C ATOM 1316 CG1 ILE A 520 3.582 -10.133 5.065 1.00 0.00 C ATOM 1317 CG2 ILE A 520 1.212 -9.326 4.765 1.00 0.00 C ATOM 1318 CD1 ILE A 520 3.446 -10.538 6.538 1.00 0.00 C ATOM 0 H ILE A 520 2.835 -12.286 2.320 1.00 0.00 H new ATOM 0 HA ILE A 520 1.613 -12.140 5.025 1.00 0.00 H new ATOM 0 HB ILE A 520 2.562 -9.948 3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 520 4.361 -10.745 4.610 1.00 0.00 H new ATOM 0 HG13 ILE A 520 3.923 -9.099 5.022 1.00 0.00 H new ATOM 0 HG21 ILE A 520 1.616 -8.319 4.870 1.00 0.00 H new ATOM 0 HG22 ILE A 520 0.364 -9.307 4.080 1.00 0.00 H new ATOM 0 HG23 ILE A 520 0.884 -9.688 5.739 1.00 0.00 H new ATOM 0 HD11 ILE A 520 4.404 -10.409 7.041 1.00 0.00 H new ATOM 0 HD12 ILE A 520 2.696 -9.911 7.020 1.00 0.00 H new ATOM 0 HD13 ILE A 520 3.141 -11.582 6.601 1.00 0.00 H new ATOM 1330 N LYS A 521 -0.658 -11.953 4.003 1.00 0.00 N ATOM 1331 CA LYS A 521 -1.993 -12.205 3.433 1.00 0.00 C ATOM 1332 C LYS A 521 -3.071 -11.292 4.050 1.00 0.00 C ATOM 1333 O LYS A 521 -3.083 -11.075 5.264 1.00 0.00 O ATOM 1334 CB LYS A 521 -2.352 -13.688 3.657 1.00 0.00 C ATOM 1335 CG LYS A 521 -1.406 -14.716 3.008 1.00 0.00 C ATOM 1336 CD LYS A 521 -1.383 -14.649 1.472 1.00 0.00 C ATOM 1337 CE LYS A 521 -0.530 -15.774 0.867 1.00 0.00 C ATOM 1338 NZ LYS A 521 0.918 -15.598 1.153 1.00 0.00 N ATOM 0 H LYS A 521 -0.656 -11.941 5.023 1.00 0.00 H new ATOM 0 HA LYS A 521 -1.963 -11.978 2.367 1.00 0.00 H new ATOM 0 HB2 LYS A 521 -2.380 -13.877 4.730 1.00 0.00 H new ATOM 0 HB3 LYS A 521 -3.359 -13.859 3.277 1.00 0.00 H new ATOM 0 HG2 LYS A 521 -0.396 -14.556 3.385 1.00 0.00 H new ATOM 0 HG3 LYS A 521 -1.706 -15.718 3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 521 -2.401 -14.719 1.089 1.00 0.00 H new ATOM 0 HD3 LYS A 521 -0.989 -13.683 1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 521 -0.863 -16.733 1.264 1.00 0.00 H new ATOM 0 HE3 LYS A 521 -0.684 -15.804 -0.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 521 1.448 -16.406 0.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 521 1.255 -14.720 0.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 521 1.065 -15.544 2.181 1.00 0.00 H new ATOM 1352 N ASP A 522 -3.976 -10.773 3.207 1.00 0.00 N ATOM 1353 CA ASP A 522 -5.170 -9.975 3.608 1.00 0.00 C ATOM 1354 C ASP A 522 -4.809 -8.713 4.431 1.00 0.00 C ATOM 1355 O ASP A 522 -5.559 -8.266 5.298 1.00 0.00 O ATOM 1356 CB ASP A 522 -6.176 -10.908 4.318 1.00 0.00 C ATOM 1357 CG ASP A 522 -7.579 -10.294 4.482 1.00 0.00 C ATOM 1358 OD1 ASP A 522 -8.134 -9.779 3.482 1.00 0.00 O ATOM 1359 OD2 ASP A 522 -8.150 -10.384 5.596 1.00 0.00 O ATOM 0 H ASP A 522 -3.906 -10.894 2.197 1.00 0.00 H new ATOM 0 HA ASP A 522 -5.644 -9.573 2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -6.259 -11.836 3.753 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -5.785 -11.168 5.302 1.00 0.00 H new ATOM 1364 N LYS A 523 -3.624 -8.145 4.185 1.00 0.00 N ATOM 1365 CA LYS A 523 -3.056 -7.045 4.968 1.00 0.00 C ATOM 1366 C LYS A 523 -3.748 -5.703 4.647 1.00 0.00 C ATOM 1367 O LYS A 523 -3.745 -5.318 3.470 1.00 0.00 O ATOM 1368 CB LYS A 523 -1.552 -6.970 4.659 1.00 0.00 C ATOM 1369 CG LYS A 523 -0.782 -5.950 5.512 1.00 0.00 C ATOM 1370 CD LYS A 523 -0.456 -6.482 6.914 1.00 0.00 C ATOM 1371 CE LYS A 523 0.252 -5.432 7.781 1.00 0.00 C ATOM 1372 NZ LYS A 523 1.638 -5.139 7.325 1.00 0.00 N ATOM 0 H LYS A 523 -3.021 -8.444 3.419 1.00 0.00 H new ATOM 0 HA LYS A 523 -3.216 -7.233 6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 523 -1.113 -7.956 4.808 1.00 0.00 H new ATOM 0 HB3 LYS A 523 -1.421 -6.719 3.606 1.00 0.00 H new ATOM 0 HG2 LYS A 523 0.145 -5.683 5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 523 -1.371 -5.037 5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 523 -1.377 -6.795 7.405 1.00 0.00 H new ATOM 0 HD3 LYS A 523 0.176 -7.366 6.828 1.00 0.00 H new ATOM 0 HE2 LYS A 523 -0.330 -4.510 7.773 1.00 0.00 H new ATOM 0 HE3 LYS A 523 0.281 -5.781 8.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 523 2.170 -4.691 8.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 523 2.108 -6.025 7.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 523 1.606 -4.496 6.508 1.00 0.00 H new ATOM 1386 N PRO A 524 -4.267 -4.965 5.652 1.00 0.00 N ATOM 1387 CA PRO A 524 -4.752 -3.606 5.476 1.00 0.00 C ATOM 1388 C PRO A 524 -3.563 -2.642 5.430 1.00 0.00 C ATOM 1389 O PRO A 524 -2.587 -2.806 6.163 1.00 0.00 O ATOM 1390 CB PRO A 524 -5.663 -3.324 6.671 1.00 0.00 C ATOM 1391 CG PRO A 524 -5.076 -4.198 7.783 1.00 0.00 C ATOM 1392 CD PRO A 524 -4.354 -5.338 7.056 1.00 0.00 C ATOM 0 HA PRO A 524 -5.301 -3.477 4.544 1.00 0.00 H new ATOM 0 HB2 PRO A 524 -5.653 -2.268 6.943 1.00 0.00 H new ATOM 0 HB3 PRO A 524 -6.699 -3.588 6.457 1.00 0.00 H new ATOM 0 HG2 PRO A 524 -4.387 -3.630 8.408 1.00 0.00 H new ATOM 0 HG3 PRO A 524 -5.859 -4.581 8.438 1.00 0.00 H new ATOM 0 HD2 PRO A 524 -3.360 -5.493 7.475 1.00 0.00 H new ATOM 0 HD3 PRO A 524 -4.899 -6.275 7.172 1.00 0.00 H new ATOM 1400 N VAL A 525 -3.657 -1.633 4.570 1.00 0.00 N ATOM 1401 CA VAL A 525 -2.596 -0.653 4.301 1.00 0.00 C ATOM 1402 C VAL A 525 -3.174 0.757 4.248 1.00 0.00 C ATOM 1403 O VAL A 525 -4.224 0.980 3.653 1.00 0.00 O ATOM 1404 CB VAL A 525 -1.806 -0.985 3.012 1.00 0.00 C ATOM 1405 CG1 VAL A 525 -0.885 -2.186 3.282 1.00 0.00 C ATOM 1406 CG2 VAL A 525 -2.682 -1.261 1.770 1.00 0.00 C ATOM 0 H VAL A 525 -4.499 -1.464 4.020 1.00 0.00 H new ATOM 0 HA VAL A 525 -1.885 -0.705 5.125 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.232 -0.091 2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -0.325 -2.426 2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -0.190 -1.938 4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -1.486 -3.047 3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -2.042 -1.484 0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -3.334 -2.112 1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -3.288 -0.382 1.550 1.00 0.00 H new ATOM 1416 N GLN A 526 -2.502 1.695 4.914 1.00 0.00 N ATOM 1417 CA GLN A 526 -2.919 3.090 5.027 1.00 0.00 C ATOM 1418 C GLN A 526 -2.643 3.815 3.708 1.00 0.00 C ATOM 1419 O GLN A 526 -1.530 3.757 3.192 1.00 0.00 O ATOM 1420 CB GLN A 526 -2.159 3.749 6.189 1.00 0.00 C ATOM 1421 CG GLN A 526 -2.715 5.142 6.529 1.00 0.00 C ATOM 1422 CD GLN A 526 -1.904 5.810 7.639 1.00 0.00 C ATOM 1423 OE1 GLN A 526 -0.985 6.580 7.398 1.00 0.00 O ATOM 1424 NE2 GLN A 526 -2.195 5.535 8.894 1.00 0.00 N ATOM 0 H GLN A 526 -1.629 1.499 5.403 1.00 0.00 H new ATOM 0 HA GLN A 526 -3.988 3.149 5.231 1.00 0.00 H new ATOM 0 HB2 GLN A 526 -2.220 3.110 7.070 1.00 0.00 H new ATOM 0 HB3 GLN A 526 -1.104 3.834 5.929 1.00 0.00 H new ATOM 0 HG2 GLN A 526 -2.700 5.769 5.638 1.00 0.00 H new ATOM 0 HG3 GLN A 526 -3.756 5.054 6.839 1.00 0.00 H new ATOM 0 HE21 GLN A 526 -2.959 4.895 9.112 1.00 0.00 H new ATOM 0 HE22 GLN A 526 -1.657 5.962 9.648 1.00 0.00 H new ATOM 1433 N ILE A 527 -3.644 4.518 3.180 1.00 0.00 N ATOM 1434 CA ILE A 527 -3.582 5.272 1.924 1.00 0.00 C ATOM 1435 C ILE A 527 -3.642 6.764 2.254 1.00 0.00 C ATOM 1436 O ILE A 527 -4.506 7.209 3.013 1.00 0.00 O ATOM 1437 CB ILE A 527 -4.745 4.859 0.989 1.00 0.00 C ATOM 1438 CG1 ILE A 527 -4.872 3.333 0.789 1.00 0.00 C ATOM 1439 CG2 ILE A 527 -4.634 5.547 -0.384 1.00 0.00 C ATOM 1440 CD1 ILE A 527 -3.631 2.628 0.231 1.00 0.00 C ATOM 0 H ILE A 527 -4.557 4.582 3.631 1.00 0.00 H new ATOM 0 HA ILE A 527 -2.651 5.054 1.400 1.00 0.00 H new ATOM 0 HB ILE A 527 -5.649 5.194 1.498 1.00 0.00 H new ATOM 0 HG12 ILE A 527 -5.124 2.880 1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 527 -5.708 3.142 0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 527 -5.466 5.235 -1.016 1.00 0.00 H new ATOM 0 HG22 ILE A 527 -4.664 6.629 -0.252 1.00 0.00 H new ATOM 0 HG23 ILE A 527 -3.693 5.265 -0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 527 -3.832 1.561 0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 527 -3.385 3.044 -0.746 1.00 0.00 H new ATOM 0 HD13 ILE A 527 -2.792 2.777 0.910 1.00 0.00 H new ATOM 1452 N ARG A 528 -2.725 7.539 1.675 1.00 0.00 N ATOM 1453 CA ARG A 528 -2.572 8.973 1.928 1.00 0.00 C ATOM 1454 C ARG A 528 -2.337 9.720 0.607 1.00 0.00 C ATOM 1455 O ARG A 528 -1.181 9.876 0.199 1.00 0.00 O ATOM 1456 CB ARG A 528 -1.410 9.193 2.912 1.00 0.00 C ATOM 1457 CG ARG A 528 -1.771 8.901 4.376 1.00 0.00 C ATOM 1458 CD ARG A 528 -0.589 9.027 5.359 1.00 0.00 C ATOM 1459 NE ARG A 528 0.329 10.155 5.087 1.00 0.00 N ATOM 1460 CZ ARG A 528 0.025 11.447 5.010 1.00 0.00 C ATOM 1461 NH1 ARG A 528 -1.194 11.892 5.194 1.00 0.00 N ATOM 1462 NH2 ARG A 528 0.952 12.335 4.736 1.00 0.00 N ATOM 0 H ARG A 528 -2.051 7.179 1.000 1.00 0.00 H new ATOM 0 HA ARG A 528 -3.484 9.370 2.374 1.00 0.00 H new ATOM 0 HB2 ARG A 528 -0.574 8.557 2.620 1.00 0.00 H new ATOM 0 HB3 ARG A 528 -1.069 10.225 2.831 1.00 0.00 H new ATOM 0 HG2 ARG A 528 -2.561 9.585 4.686 1.00 0.00 H new ATOM 0 HG3 ARG A 528 -2.178 7.892 4.443 1.00 0.00 H new ATOM 0 HD2 ARG A 528 -0.985 9.135 6.369 1.00 0.00 H new ATOM 0 HD3 ARG A 528 -0.017 8.099 5.338 1.00 0.00 H new ATOM 0 HE ARG A 528 1.309 9.913 4.942 1.00 0.00 H new ATOM 0 HH11 ARG A 528 -1.949 11.239 5.405 1.00 0.00 H new ATOM 0 HH12 ARG A 528 -1.388 12.891 5.127 1.00 0.00 H new ATOM 0 HH21 ARG A 528 1.915 12.036 4.580 1.00 0.00 H new ATOM 0 HH22 ARG A 528 0.710 13.324 4.679 1.00 0.00 H new ATOM 1476 N PRO A 529 -3.410 10.174 -0.073 1.00 0.00 N ATOM 1477 CA PRO A 529 -3.300 11.078 -1.211 1.00 0.00 C ATOM 1478 C PRO A 529 -2.594 12.364 -0.764 1.00 0.00 C ATOM 1479 O PRO A 529 -2.881 12.872 0.320 1.00 0.00 O ATOM 1480 CB PRO A 529 -4.738 11.342 -1.680 1.00 0.00 C ATOM 1481 CG PRO A 529 -5.518 10.141 -1.145 1.00 0.00 C ATOM 1482 CD PRO A 529 -4.808 9.851 0.174 1.00 0.00 C ATOM 0 HA PRO A 529 -2.712 10.662 -2.029 1.00 0.00 H new ATOM 0 HB2 PRO A 529 -5.124 12.280 -1.281 1.00 0.00 H new ATOM 0 HB3 PRO A 529 -4.799 11.408 -2.766 1.00 0.00 H new ATOM 0 HG2 PRO A 529 -6.572 10.375 -0.996 1.00 0.00 H new ATOM 0 HG3 PRO A 529 -5.473 9.291 -1.826 1.00 0.00 H new ATOM 0 HD2 PRO A 529 -5.216 10.456 0.983 1.00 0.00 H new ATOM 0 HD3 PRO A 529 -4.927 8.807 0.465 1.00 0.00 H new ATOM 1490 N TRP A 530 -1.644 12.866 -1.557 1.00 0.00 N ATOM 1491 CA TRP A 530 -0.778 13.974 -1.140 1.00 0.00 C ATOM 1492 C TRP A 530 -1.543 15.297 -0.924 1.00 0.00 C ATOM 1493 O TRP A 530 -2.410 15.670 -1.719 1.00 0.00 O ATOM 1494 CB TRP A 530 0.362 14.129 -2.150 1.00 0.00 C ATOM 1495 CG TRP A 530 1.398 15.135 -1.755 1.00 0.00 C ATOM 1496 CD1 TRP A 530 1.516 16.384 -2.256 1.00 0.00 C ATOM 1497 CD2 TRP A 530 2.454 15.003 -0.755 1.00 0.00 C ATOM 1498 NE1 TRP A 530 2.577 17.029 -1.649 1.00 0.00 N ATOM 1499 CE2 TRP A 530 3.199 16.221 -0.721 1.00 0.00 C ATOM 1500 CE3 TRP A 530 2.872 13.970 0.114 1.00 0.00 C ATOM 1501 CZ2 TRP A 530 4.308 16.400 0.119 1.00 0.00 C ATOM 1502 CZ3 TRP A 530 3.985 14.139 0.960 1.00 0.00 C ATOM 1503 CH2 TRP A 530 4.704 15.348 0.964 1.00 0.00 C ATOM 0 H TRP A 530 -1.454 12.521 -2.498 1.00 0.00 H new ATOM 0 HA TRP A 530 -0.363 13.727 -0.163 1.00 0.00 H new ATOM 0 HB2 TRP A 530 0.845 13.161 -2.288 1.00 0.00 H new ATOM 0 HB3 TRP A 530 -0.058 14.416 -3.114 1.00 0.00 H new ATOM 0 HD1 TRP A 530 0.879 16.813 -3.015 1.00 0.00 H new ATOM 0 HE1 TRP A 530 2.864 17.984 -1.861 1.00 0.00 H new ATOM 0 HE3 TRP A 530 2.329 13.036 0.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 530 4.851 17.334 0.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 530 4.289 13.333 1.612 1.00 0.00 H new ATOM 0 HH2 TRP A 530 5.558 15.468 1.614 1.00 0.00 H new