USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 703 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 482 TYR OH : rot 180:sc= -0.343 USER MOD Set 1.2: A 513 LYS NZ :NH3+ -162:sc=-0.000102 (180deg=0) USER MOD Set 2.1: A 475 THR OG1 : rot 130:sc= 0.829 USER MOD Set 2.2: A 491 LYS NZ :NH3+ 161:sc= 0.956 (180deg=0) USER MOD Set 3.1: A 461 LYS NZ :NH3+ -121:sc= 0.373 (180deg=0) USER MOD Set 3.2: A 466 HIS : no HD1:sc= -0.0256 K(o=0.35,f=-0.98) USER MOD Set 4.1: A 455 ASN : amide:sc= -0.175 X(o=-1,f=-1.4) USER MOD Set 4.2: A 458 MET CE :methyl -174:sc= -0.86 (180deg=-1.1) USER MOD Single : A 443 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 445 LYS NZ :NH3+ -175:sc= 2.38 (180deg=2.37) USER MOD Single : A 446 SER OG : rot -53:sc= 1.19 USER MOD Single : A 448 THR OG1 : rot -21:sc= 1.24 USER MOD Single : A 451 LYS NZ :NH3+ -157:sc= 1.16 (180deg=0.427) USER MOD Single : A 454 LYS NZ :NH3+ 165:sc= 0.995 (180deg=0.858) USER MOD Single : A 462 SER OG : rot 180:sc= 0 USER MOD Single : A 467 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 TYR OH : rot 165:sc= 0 USER MOD Single : A 469 SER OG : rot 180:sc= 0.00819 USER MOD Single : A 473 SER OG : rot 180:sc= 0 USER MOD Single : A 487 THR OG1 : rot 180:sc= 0 USER MOD Single : A 490 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 504 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 TYR OH : rot 180:sc= 0 USER MOD Single : A 521 SER OG : rot 180:sc= 0 USER MOD Single : A 523 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 443 0.726 -4.655 14.423 1.00 0.00 N ATOM 2 CA MET A 443 1.967 -5.479 14.374 1.00 0.00 C ATOM 3 C MET A 443 2.752 -5.194 13.084 1.00 0.00 C ATOM 4 O MET A 443 2.158 -4.670 12.143 1.00 0.00 O ATOM 5 CB MET A 443 1.666 -6.984 14.575 1.00 0.00 C ATOM 6 CG MET A 443 0.615 -7.588 13.631 1.00 0.00 C ATOM 7 SD MET A 443 0.340 -9.362 13.897 1.00 0.00 S ATOM 8 CE MET A 443 -1.299 -9.533 13.139 1.00 0.00 C ATOM 0 HA MET A 443 2.604 -5.190 15.210 1.00 0.00 H new ATOM 0 HB2 MET A 443 2.596 -7.540 14.456 1.00 0.00 H new ATOM 0 HB3 MET A 443 1.334 -7.135 15.602 1.00 0.00 H new ATOM 0 HG2 MET A 443 -0.328 -7.058 13.763 1.00 0.00 H new ATOM 0 HG3 MET A 443 0.929 -7.427 12.600 1.00 0.00 H new ATOM 0 HE1 MET A 443 -1.628 -10.570 13.213 1.00 0.00 H new ATOM 0 HE2 MET A 443 -2.009 -8.889 13.658 1.00 0.00 H new ATOM 0 HE3 MET A 443 -1.247 -9.243 12.090 1.00 0.00 H new ATOM 18 N PRO A 444 4.063 -5.503 12.986 1.00 0.00 N ATOM 19 CA PRO A 444 4.874 -5.229 11.787 1.00 0.00 C ATOM 20 C PRO A 444 4.259 -5.718 10.462 1.00 0.00 C ATOM 21 O PRO A 444 4.241 -4.980 9.475 1.00 0.00 O ATOM 22 CB PRO A 444 6.237 -5.876 12.059 1.00 0.00 C ATOM 23 CG PRO A 444 6.353 -5.790 13.579 1.00 0.00 C ATOM 24 CD PRO A 444 4.918 -6.033 14.045 1.00 0.00 C ATOM 0 HA PRO A 444 4.945 -4.152 11.634 1.00 0.00 H new ATOM 0 HB2 PRO A 444 6.273 -6.907 11.708 1.00 0.00 H new ATOM 0 HB3 PRO A 444 7.046 -5.341 11.560 1.00 0.00 H new ATOM 0 HG2 PRO A 444 7.039 -6.539 13.975 1.00 0.00 H new ATOM 0 HG3 PRO A 444 6.723 -4.817 13.902 1.00 0.00 H new ATOM 0 HD2 PRO A 444 4.732 -7.095 14.203 1.00 0.00 H new ATOM 0 HD3 PRO A 444 4.724 -5.531 14.993 1.00 0.00 H new ATOM 32 N LYS A 445 3.689 -6.935 10.450 1.00 0.00 N ATOM 33 CA LYS A 445 2.964 -7.511 9.299 1.00 0.00 C ATOM 34 C LYS A 445 1.559 -6.985 9.068 1.00 0.00 C ATOM 35 O LYS A 445 0.906 -7.443 8.133 1.00 0.00 O ATOM 36 CB LYS A 445 3.092 -9.049 9.275 1.00 0.00 C ATOM 37 CG LYS A 445 2.364 -9.837 10.380 1.00 0.00 C ATOM 38 CD LYS A 445 0.840 -9.993 10.240 1.00 0.00 C ATOM 39 CE LYS A 445 0.399 -10.627 8.912 1.00 0.00 C ATOM 40 NZ LYS A 445 -1.023 -11.046 8.968 1.00 0.00 N ATOM 0 H LYS A 445 3.719 -7.560 11.255 1.00 0.00 H new ATOM 0 HA LYS A 445 3.474 -7.134 8.413 1.00 0.00 H new ATOM 0 HB2 LYS A 445 2.725 -9.403 8.311 1.00 0.00 H new ATOM 0 HB3 LYS A 445 4.152 -9.300 9.324 1.00 0.00 H new ATOM 0 HG2 LYS A 445 2.803 -10.833 10.430 1.00 0.00 H new ATOM 0 HG3 LYS A 445 2.568 -9.350 11.334 1.00 0.00 H new ATOM 0 HD2 LYS A 445 0.470 -10.604 11.064 1.00 0.00 H new ATOM 0 HD3 LYS A 445 0.374 -9.012 10.336 1.00 0.00 H new ATOM 0 HE2 LYS A 445 0.540 -9.913 8.100 1.00 0.00 H new ATOM 0 HE3 LYS A 445 1.027 -11.490 8.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 445 -1.272 -11.547 8.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 445 -1.167 -11.679 9.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 445 -1.628 -10.207 9.071 1.00 0.00 H new ATOM 54 N SER A 446 1.102 -5.975 9.808 1.00 0.00 N ATOM 55 CA SER A 446 -0.186 -5.346 9.511 1.00 0.00 C ATOM 56 C SER A 446 -0.220 -4.563 8.193 1.00 0.00 C ATOM 57 O SER A 446 -1.279 -4.375 7.602 1.00 0.00 O ATOM 58 CB SER A 446 -0.708 -4.514 10.687 1.00 0.00 C ATOM 59 OG SER A 446 -0.874 -5.336 11.831 1.00 0.00 O ATOM 0 H SER A 446 1.596 -5.579 10.607 1.00 0.00 H new ATOM 0 HA SER A 446 -0.875 -6.178 9.363 1.00 0.00 H new ATOM 0 HB2 SER A 446 -0.011 -3.706 10.908 1.00 0.00 H new ATOM 0 HB3 SER A 446 -1.658 -4.051 10.421 1.00 0.00 H new ATOM 0 HG SER A 446 -1.432 -6.108 11.601 1.00 0.00 H new ATOM 65 N LEU A 447 0.947 -4.246 7.631 1.00 0.00 N ATOM 66 CA LEU A 447 1.154 -3.756 6.270 1.00 0.00 C ATOM 67 C LEU A 447 0.778 -4.838 5.228 1.00 0.00 C ATOM 68 O LEU A 447 0.813 -4.583 4.029 1.00 0.00 O ATOM 69 CB LEU A 447 2.638 -3.358 6.196 1.00 0.00 C ATOM 70 CG LEU A 447 3.081 -2.498 5.003 1.00 0.00 C ATOM 71 CD1 LEU A 447 2.536 -1.073 5.089 1.00 0.00 C ATOM 72 CD2 LEU A 447 4.605 -2.390 5.036 1.00 0.00 C ATOM 0 H LEU A 447 1.824 -4.330 8.145 1.00 0.00 H new ATOM 0 HA LEU A 447 0.516 -2.903 6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 447 2.888 -2.820 7.110 1.00 0.00 H new ATOM 0 HB3 LEU A 447 3.232 -4.272 6.191 1.00 0.00 H new ATOM 0 HG LEU A 447 2.707 -2.969 4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 447 2.875 -0.501 4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 447 1.446 -1.100 5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 447 2.898 -0.600 6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 447 4.945 -1.783 4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 447 4.917 -1.924 5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 447 5.042 -3.386 4.964 1.00 0.00 H new ATOM 84 N THR A 448 0.404 -6.038 5.685 1.00 0.00 N ATOM 85 CA THR A 448 -0.022 -7.217 4.920 1.00 0.00 C ATOM 86 C THR A 448 -1.256 -7.912 5.543 1.00 0.00 C ATOM 87 O THR A 448 -1.596 -9.032 5.171 1.00 0.00 O ATOM 88 CB THR A 448 1.159 -8.189 4.714 1.00 0.00 C ATOM 89 OG1 THR A 448 1.478 -8.905 5.887 1.00 0.00 O ATOM 90 CG2 THR A 448 2.434 -7.460 4.263 1.00 0.00 C ATOM 0 H THR A 448 0.390 -6.226 6.687 1.00 0.00 H new ATOM 0 HA THR A 448 -0.343 -6.873 3.937 1.00 0.00 H new ATOM 0 HB THR A 448 0.823 -8.878 3.939 1.00 0.00 H new ATOM 0 HG1 THR A 448 1.135 -8.423 6.668 1.00 0.00 H new ATOM 0 HG21 THR A 448 3.239 -8.183 4.130 1.00 0.00 H new ATOM 0 HG22 THR A 448 2.246 -6.949 3.319 1.00 0.00 H new ATOM 0 HG23 THR A 448 2.723 -6.730 5.019 1.00 0.00 H new ATOM 98 N ASP A 449 -1.956 -7.271 6.493 1.00 0.00 N ATOM 99 CA ASP A 449 -3.180 -7.784 7.134 1.00 0.00 C ATOM 100 C ASP A 449 -4.418 -7.471 6.276 1.00 0.00 C ATOM 101 O ASP A 449 -4.651 -6.297 5.995 1.00 0.00 O ATOM 102 CB ASP A 449 -3.404 -7.115 8.502 1.00 0.00 C ATOM 103 CG ASP A 449 -2.854 -7.895 9.705 1.00 0.00 C ATOM 104 OD1 ASP A 449 -2.901 -9.148 9.679 1.00 0.00 O ATOM 105 OD2 ASP A 449 -2.487 -7.263 10.718 1.00 0.00 O ATOM 0 H ASP A 449 -1.679 -6.355 6.847 1.00 0.00 H new ATOM 0 HA ASP A 449 -3.049 -8.860 7.247 1.00 0.00 H new ATOM 0 HB2 ASP A 449 -2.942 -6.128 8.487 1.00 0.00 H new ATOM 0 HB3 ASP A 449 -4.474 -6.964 8.645 1.00 0.00 H new ATOM 110 N PRO A 450 -5.294 -8.447 5.970 1.00 0.00 N ATOM 111 CA PRO A 450 -6.589 -8.233 5.304 1.00 0.00 C ATOM 112 C PRO A 450 -7.383 -7.030 5.847 1.00 0.00 C ATOM 113 O PRO A 450 -7.919 -6.222 5.088 1.00 0.00 O ATOM 114 CB PRO A 450 -7.364 -9.543 5.507 1.00 0.00 C ATOM 115 CG PRO A 450 -6.290 -10.604 5.742 1.00 0.00 C ATOM 116 CD PRO A 450 -5.111 -9.840 6.327 1.00 0.00 C ATOM 0 HA PRO A 450 -6.432 -7.989 4.253 1.00 0.00 H new ATOM 0 HB2 PRO A 450 -8.042 -9.473 6.357 1.00 0.00 H new ATOM 0 HB3 PRO A 450 -7.971 -9.782 4.634 1.00 0.00 H new ATOM 0 HG2 PRO A 450 -6.640 -11.376 6.427 1.00 0.00 H new ATOM 0 HG3 PRO A 450 -6.016 -11.103 4.812 1.00 0.00 H new ATOM 0 HD2 PRO A 450 -5.072 -9.959 7.410 1.00 0.00 H new ATOM 0 HD3 PRO A 450 -4.169 -10.220 5.931 1.00 0.00 H new ATOM 124 N LYS A 451 -7.389 -6.889 7.179 1.00 0.00 N ATOM 125 CA LYS A 451 -8.022 -5.832 7.984 1.00 0.00 C ATOM 126 C LYS A 451 -7.543 -4.414 7.635 1.00 0.00 C ATOM 127 O LYS A 451 -8.325 -3.469 7.706 1.00 0.00 O ATOM 128 CB LYS A 451 -7.746 -6.143 9.468 1.00 0.00 C ATOM 129 CG LYS A 451 -8.351 -7.484 9.948 1.00 0.00 C ATOM 130 CD LYS A 451 -7.402 -8.296 10.848 1.00 0.00 C ATOM 131 CE LYS A 451 -6.227 -8.905 10.075 1.00 0.00 C ATOM 132 NZ LYS A 451 -5.315 -9.663 10.973 1.00 0.00 N ATOM 0 H LYS A 451 -6.912 -7.568 7.772 1.00 0.00 H new ATOM 0 HA LYS A 451 -9.090 -5.835 7.765 1.00 0.00 H new ATOM 0 HB2 LYS A 451 -6.668 -6.162 9.631 1.00 0.00 H new ATOM 0 HB3 LYS A 451 -8.147 -5.335 10.080 1.00 0.00 H new ATOM 0 HG2 LYS A 451 -9.273 -7.283 10.493 1.00 0.00 H new ATOM 0 HG3 LYS A 451 -8.618 -8.085 9.079 1.00 0.00 H new ATOM 0 HD2 LYS A 451 -7.016 -7.651 11.637 1.00 0.00 H new ATOM 0 HD3 LYS A 451 -7.964 -9.094 11.334 1.00 0.00 H new ATOM 0 HE2 LYS A 451 -6.607 -9.568 9.297 1.00 0.00 H new ATOM 0 HE3 LYS A 451 -5.670 -8.113 9.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 451 -4.372 -9.725 10.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 451 -5.243 -9.173 11.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 451 -5.692 -10.621 11.122 1.00 0.00 H new ATOM 146 N LEU A 452 -6.273 -4.257 7.251 1.00 0.00 N ATOM 147 CA LEU A 452 -5.681 -2.992 6.795 1.00 0.00 C ATOM 148 C LEU A 452 -5.711 -2.916 5.265 1.00 0.00 C ATOM 149 O LEU A 452 -6.040 -1.876 4.713 1.00 0.00 O ATOM 150 CB LEU A 452 -4.219 -2.852 7.266 1.00 0.00 C ATOM 151 CG LEU A 452 -3.892 -2.706 8.768 1.00 0.00 C ATOM 152 CD1 LEU A 452 -4.101 -1.265 9.216 1.00 0.00 C ATOM 153 CD2 LEU A 452 -4.643 -3.641 9.711 1.00 0.00 C ATOM 0 H LEU A 452 -5.607 -5.029 7.248 1.00 0.00 H new ATOM 0 HA LEU A 452 -6.271 -2.183 7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 452 -3.678 -3.726 6.902 1.00 0.00 H new ATOM 0 HB3 LEU A 452 -3.799 -1.983 6.759 1.00 0.00 H new ATOM 0 HG LEU A 452 -2.846 -3.003 8.843 1.00 0.00 H new ATOM 0 HD11 LEU A 452 -3.867 -1.176 10.277 1.00 0.00 H new ATOM 0 HD12 LEU A 452 -3.447 -0.608 8.644 1.00 0.00 H new ATOM 0 HD13 LEU A 452 -5.139 -0.979 9.048 1.00 0.00 H new ATOM 0 HD21 LEU A 452 -4.333 -3.448 10.738 1.00 0.00 H new ATOM 0 HD22 LEU A 452 -5.715 -3.468 9.617 1.00 0.00 H new ATOM 0 HD23 LEU A 452 -4.418 -4.676 9.452 1.00 0.00 H new ATOM 165 N LEU A 453 -5.419 -4.009 4.555 1.00 0.00 N ATOM 166 CA LEU A 453 -5.236 -4.045 3.099 1.00 0.00 C ATOM 167 C LEU A 453 -6.490 -3.626 2.311 1.00 0.00 C ATOM 168 O LEU A 453 -6.417 -3.273 1.134 1.00 0.00 O ATOM 169 CB LEU A 453 -4.798 -5.469 2.709 1.00 0.00 C ATOM 170 CG LEU A 453 -3.339 -5.832 3.073 1.00 0.00 C ATOM 171 CD1 LEU A 453 -3.049 -7.264 2.632 1.00 0.00 C ATOM 172 CD2 LEU A 453 -2.268 -4.928 2.477 1.00 0.00 C ATOM 0 H LEU A 453 -5.299 -4.924 4.991 1.00 0.00 H new ATOM 0 HA LEU A 453 -4.473 -3.313 2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 453 -5.465 -6.182 3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 453 -4.928 -5.590 1.634 1.00 0.00 H new ATOM 0 HG LEU A 453 -3.280 -5.702 4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 453 -2.021 -7.522 2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 453 -3.731 -7.946 3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 453 -3.187 -7.348 1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 453 -1.284 -5.271 2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 453 -2.329 -4.960 1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 453 -2.424 -3.905 2.819 1.00 0.00 H new ATOM 184 N LYS A 454 -7.643 -3.628 2.984 1.00 0.00 N ATOM 185 CA LYS A 454 -8.973 -3.294 2.469 1.00 0.00 C ATOM 186 C LYS A 454 -9.524 -2.005 3.095 1.00 0.00 C ATOM 187 O LYS A 454 -10.613 -1.546 2.755 1.00 0.00 O ATOM 188 CB LYS A 454 -9.861 -4.513 2.728 1.00 0.00 C ATOM 189 CG LYS A 454 -9.280 -5.704 1.976 1.00 0.00 C ATOM 190 CD LYS A 454 -10.171 -6.909 2.185 1.00 0.00 C ATOM 191 CE LYS A 454 -9.500 -7.991 1.385 1.00 0.00 C ATOM 192 NZ LYS A 454 -10.426 -9.044 0.886 1.00 0.00 N ATOM 0 H LYS A 454 -7.674 -3.881 3.972 1.00 0.00 H new ATOM 0 HA LYS A 454 -8.937 -3.081 1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 454 -9.909 -4.726 3.796 1.00 0.00 H new ATOM 0 HB3 LYS A 454 -10.880 -4.316 2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 454 -9.202 -5.475 0.913 1.00 0.00 H new ATOM 0 HG3 LYS A 454 -8.272 -5.917 2.331 1.00 0.00 H new ATOM 0 HD2 LYS A 454 -10.242 -7.176 3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 454 -11.186 -6.722 1.834 1.00 0.00 H new ATOM 0 HE2 LYS A 454 -8.992 -7.537 0.534 1.00 0.00 H new ATOM 0 HE3 LYS A 454 -8.733 -8.460 2.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 -9.952 -9.602 0.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 -10.697 -9.669 1.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 -11.278 -8.598 0.489 1.00 0.00 H new ATOM 206 N ASN A 455 -8.722 -1.409 3.975 1.00 0.00 N ATOM 207 CA ASN A 455 -8.832 -0.099 4.581 1.00 0.00 C ATOM 208 C ASN A 455 -7.552 0.685 4.285 1.00 0.00 C ATOM 209 O ASN A 455 -6.727 0.947 5.165 1.00 0.00 O ATOM 210 CB ASN A 455 -8.999 -0.184 6.085 1.00 0.00 C ATOM 211 CG ASN A 455 -10.323 -0.685 6.606 1.00 0.00 C ATOM 212 OD1 ASN A 455 -11.389 -0.443 6.055 1.00 0.00 O ATOM 213 ND2 ASN A 455 -10.299 -1.210 7.799 1.00 0.00 N ATOM 0 H ASN A 455 -7.890 -1.893 4.313 1.00 0.00 H new ATOM 0 HA ASN A 455 -9.711 0.393 4.164 1.00 0.00 H new ATOM 0 HB2 ASN A 455 -8.215 -0.833 6.475 1.00 0.00 H new ATOM 0 HB3 ASN A 455 -8.827 0.809 6.500 1.00 0.00 H new ATOM 0 HD21 ASN A 455 -11.173 -1.422 8.280 1.00 0.00 H new ATOM 0 HD22 ASN A 455 -9.406 -1.409 8.251 1.00 0.00 H new ATOM 220 N ILE A 456 -7.437 1.134 3.044 1.00 0.00 N ATOM 221 CA ILE A 456 -6.412 2.080 2.616 1.00 0.00 C ATOM 222 C ILE A 456 -6.121 3.212 3.639 1.00 0.00 C ATOM 223 O ILE A 456 -4.936 3.476 3.836 1.00 0.00 O ATOM 224 CB ILE A 456 -6.792 2.574 1.206 1.00 0.00 C ATOM 225 CG1 ILE A 456 -6.790 1.464 0.121 1.00 0.00 C ATOM 226 CG2 ILE A 456 -5.924 3.740 0.731 1.00 0.00 C ATOM 227 CD1 ILE A 456 -5.569 0.533 0.105 1.00 0.00 C ATOM 0 H ILE A 456 -8.063 0.847 2.292 1.00 0.00 H new ATOM 0 HA ILE A 456 -5.448 1.573 2.569 1.00 0.00 H new ATOM 0 HB ILE A 456 -7.819 2.918 1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 456 -7.684 0.854 0.253 1.00 0.00 H new ATOM 0 HG13 ILE A 456 -6.870 1.940 -0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 456 -6.238 4.044 -0.267 1.00 0.00 H new ATOM 0 HG22 ILE A 456 -6.034 4.579 1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 456 -4.880 3.429 0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 456 -5.681 -0.200 -0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 456 -4.666 1.120 -0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 456 -5.492 0.017 1.062 1.00 0.00 H new ATOM 239 N PRO A 457 -7.081 3.848 4.360 1.00 0.00 N ATOM 240 CA PRO A 457 -6.764 4.923 5.310 1.00 0.00 C ATOM 241 C PRO A 457 -5.859 4.449 6.463 1.00 0.00 C ATOM 242 O PRO A 457 -4.794 5.023 6.695 1.00 0.00 O ATOM 243 CB PRO A 457 -8.114 5.462 5.821 1.00 0.00 C ATOM 244 CG PRO A 457 -9.152 4.888 4.856 1.00 0.00 C ATOM 245 CD PRO A 457 -8.508 3.569 4.457 1.00 0.00 C ATOM 0 HA PRO A 457 -6.190 5.708 4.817 1.00 0.00 H new ATOM 0 HB2 PRO A 457 -8.306 5.142 6.845 1.00 0.00 H new ATOM 0 HB3 PRO A 457 -8.132 6.552 5.819 1.00 0.00 H new ATOM 0 HG2 PRO A 457 -10.120 4.742 5.336 1.00 0.00 H new ATOM 0 HG3 PRO A 457 -9.317 5.539 3.997 1.00 0.00 H new ATOM 0 HD2 PRO A 457 -8.707 2.795 5.198 1.00 0.00 H new ATOM 0 HD3 PRO A 457 -8.904 3.210 3.507 1.00 0.00 H new ATOM 253 N MET A 458 -6.248 3.384 7.176 1.00 0.00 N ATOM 254 CA MET A 458 -5.447 2.816 8.276 1.00 0.00 C ATOM 255 C MET A 458 -4.238 2.012 7.773 1.00 0.00 C ATOM 256 O MET A 458 -3.254 1.897 8.502 1.00 0.00 O ATOM 257 CB MET A 458 -6.328 2.023 9.256 1.00 0.00 C ATOM 258 CG MET A 458 -7.304 1.060 8.609 1.00 0.00 C ATOM 259 SD MET A 458 -8.437 0.319 9.808 1.00 0.00 S ATOM 260 CE MET A 458 -7.493 -1.171 10.147 1.00 0.00 C ATOM 0 H MET A 458 -7.125 2.890 7.009 1.00 0.00 H new ATOM 0 HA MET A 458 -5.026 3.652 8.834 1.00 0.00 H new ATOM 0 HB2 MET A 458 -5.681 1.462 9.930 1.00 0.00 H new ATOM 0 HB3 MET A 458 -6.890 2.729 9.868 1.00 0.00 H new ATOM 0 HG2 MET A 458 -7.879 1.586 7.847 1.00 0.00 H new ATOM 0 HG3 MET A 458 -6.749 0.271 8.101 1.00 0.00 H new ATOM 0 HE1 MET A 458 -8.073 -1.830 10.793 1.00 0.00 H new ATOM 0 HE2 MET A 458 -7.273 -1.683 9.210 1.00 0.00 H new ATOM 0 HE3 MET A 458 -6.560 -0.905 10.643 1.00 0.00 H new ATOM 270 N TRP A 459 -4.232 1.537 6.521 1.00 0.00 N ATOM 271 CA TRP A 459 -3.019 0.958 5.932 1.00 0.00 C ATOM 272 C TRP A 459 -1.933 2.021 5.692 1.00 0.00 C ATOM 273 O TRP A 459 -0.810 1.897 6.182 1.00 0.00 O ATOM 274 CB TRP A 459 -3.337 0.130 4.696 1.00 0.00 C ATOM 275 CG TRP A 459 -2.178 -0.621 4.117 1.00 0.00 C ATOM 276 CD1 TRP A 459 -1.796 -1.866 4.485 1.00 0.00 C ATOM 277 CD2 TRP A 459 -1.226 -0.200 3.087 1.00 0.00 C ATOM 278 NE1 TRP A 459 -0.704 -2.248 3.736 1.00 0.00 N ATOM 279 CE2 TRP A 459 -0.335 -1.286 2.832 1.00 0.00 C ATOM 280 CE3 TRP A 459 -1.007 0.987 2.354 1.00 0.00 C ATOM 281 CZ2 TRP A 459 0.678 -1.243 1.867 1.00 0.00 C ATOM 282 CZ3 TRP A 459 0.043 1.066 1.419 1.00 0.00 C ATOM 283 CH2 TRP A 459 0.851 -0.047 1.154 1.00 0.00 C ATOM 0 H TRP A 459 -5.043 1.542 5.903 1.00 0.00 H new ATOM 0 HA TRP A 459 -2.596 0.264 6.659 1.00 0.00 H new ATOM 0 HB2 TRP A 459 -4.122 -0.583 4.948 1.00 0.00 H new ATOM 0 HB3 TRP A 459 -3.741 0.791 3.929 1.00 0.00 H new ATOM 0 HD1 TRP A 459 -2.272 -2.466 5.246 1.00 0.00 H new ATOM 0 HE1 TRP A 459 -0.226 -3.143 3.842 1.00 0.00 H new ATOM 0 HE3 TRP A 459 -1.650 1.841 2.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 459 1.305 -2.101 1.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 459 0.227 1.995 0.900 1.00 0.00 H new ATOM 0 HH2 TRP A 459 1.615 0.016 0.393 1.00 0.00 H new ATOM 294 N LEU A 460 -2.297 3.128 5.033 1.00 0.00 N ATOM 295 CA LEU A 460 -1.486 4.345 4.883 1.00 0.00 C ATOM 296 C LEU A 460 -1.079 4.981 6.224 1.00 0.00 C ATOM 297 O LEU A 460 -0.103 5.734 6.277 1.00 0.00 O ATOM 298 CB LEU A 460 -2.290 5.371 4.065 1.00 0.00 C ATOM 299 CG LEU A 460 -2.551 5.013 2.598 1.00 0.00 C ATOM 300 CD1 LEU A 460 -3.590 5.988 2.032 1.00 0.00 C ATOM 301 CD2 LEU A 460 -1.294 5.190 1.763 1.00 0.00 C ATOM 0 H LEU A 460 -3.203 3.204 4.570 1.00 0.00 H new ATOM 0 HA LEU A 460 -0.563 4.058 4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 460 -3.251 5.523 4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 460 -1.761 6.324 4.096 1.00 0.00 H new ATOM 0 HG LEU A 460 -2.887 3.977 2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 460 -3.786 5.745 0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 460 -4.515 5.906 2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 460 -3.209 7.007 2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 460 -1.506 4.929 0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 460 -0.965 6.228 1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 460 -0.508 4.540 2.147 1.00 0.00 H new ATOM 313 N LYS A 461 -1.797 4.706 7.318 1.00 0.00 N ATOM 314 CA LYS A 461 -1.447 5.179 8.666 1.00 0.00 C ATOM 315 C LYS A 461 -0.190 4.563 9.241 1.00 0.00 C ATOM 316 O LYS A 461 0.552 5.256 9.936 1.00 0.00 O ATOM 317 CB LYS A 461 -2.662 5.006 9.582 1.00 0.00 C ATOM 318 CG LYS A 461 -2.422 5.692 10.920 1.00 0.00 C ATOM 319 CD LYS A 461 -3.680 5.748 11.770 1.00 0.00 C ATOM 320 CE LYS A 461 -4.566 6.899 11.279 1.00 0.00 C ATOM 321 NZ LYS A 461 -4.445 8.110 12.136 1.00 0.00 N ATOM 0 H LYS A 461 -2.647 4.143 7.295 1.00 0.00 H new ATOM 0 HA LYS A 461 -1.195 6.237 8.589 1.00 0.00 H new ATOM 0 HB2 LYS A 461 -3.547 5.426 9.105 1.00 0.00 H new ATOM 0 HB3 LYS A 461 -2.858 3.945 9.740 1.00 0.00 H new ATOM 0 HG2 LYS A 461 -1.641 5.160 11.464 1.00 0.00 H new ATOM 0 HG3 LYS A 461 -2.057 6.704 10.747 1.00 0.00 H new ATOM 0 HD2 LYS A 461 -4.220 4.803 11.705 1.00 0.00 H new ATOM 0 HD3 LYS A 461 -3.419 5.895 12.818 1.00 0.00 H new ATOM 0 HE2 LYS A 461 -4.293 7.153 10.255 1.00 0.00 H new ATOM 0 HE3 LYS A 461 -5.606 6.572 11.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 -5.378 8.355 12.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 -3.785 7.919 12.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 -4.088 8.904 11.567 1.00 0.00 H new ATOM 335 N SER A 462 0.129 3.337 8.848 1.00 0.00 N ATOM 336 CA SER A 462 1.431 2.758 9.183 1.00 0.00 C ATOM 337 C SER A 462 2.603 3.563 8.580 1.00 0.00 C ATOM 338 O SER A 462 3.710 3.543 9.119 1.00 0.00 O ATOM 339 CB SER A 462 1.507 1.302 8.714 1.00 0.00 C ATOM 340 OG SER A 462 0.584 0.490 9.424 1.00 0.00 O ATOM 0 H SER A 462 -0.483 2.729 8.305 1.00 0.00 H new ATOM 0 HA SER A 462 1.526 2.798 10.268 1.00 0.00 H new ATOM 0 HB2 SER A 462 1.297 1.249 7.646 1.00 0.00 H new ATOM 0 HB3 SER A 462 2.518 0.922 8.859 1.00 0.00 H new ATOM 0 HG SER A 462 0.650 -0.435 9.106 1.00 0.00 H new ATOM 346 N LEU A 463 2.368 4.330 7.501 1.00 0.00 N ATOM 347 CA LEU A 463 3.341 5.197 6.824 1.00 0.00 C ATOM 348 C LEU A 463 3.401 6.610 7.435 1.00 0.00 C ATOM 349 O LEU A 463 4.183 7.440 6.974 1.00 0.00 O ATOM 350 CB LEU A 463 3.012 5.308 5.316 1.00 0.00 C ATOM 351 CG LEU A 463 2.386 4.067 4.666 1.00 0.00 C ATOM 352 CD1 LEU A 463 2.194 4.273 3.169 1.00 0.00 C ATOM 353 CD2 LEU A 463 3.247 2.811 4.834 1.00 0.00 C ATOM 0 H LEU A 463 1.450 4.362 7.058 1.00 0.00 H new ATOM 0 HA LEU A 463 4.317 4.732 6.960 1.00 0.00 H new ATOM 0 HB2 LEU A 463 2.332 6.148 5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 463 3.931 5.548 4.782 1.00 0.00 H new ATOM 0 HG LEU A 463 1.432 3.927 5.174 1.00 0.00 H new ATOM 0 HD11 LEU A 463 1.749 3.379 2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 463 1.536 5.125 3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 463 3.160 4.463 2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 463 2.754 1.965 4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 463 4.221 2.973 4.372 1.00 0.00 H new ATOM 0 HD23 LEU A 463 3.379 2.600 5.895 1.00 0.00 H new ATOM 365 N ARG A 464 2.549 6.900 8.438 1.00 0.00 N ATOM 366 CA ARG A 464 2.272 8.229 9.016 1.00 0.00 C ATOM 367 C ARG A 464 1.635 9.209 8.007 1.00 0.00 C ATOM 368 O ARG A 464 1.574 10.411 8.263 1.00 0.00 O ATOM 369 CB ARG A 464 3.513 8.793 9.746 1.00 0.00 C ATOM 370 CG ARG A 464 4.044 7.921 10.901 1.00 0.00 C ATOM 371 CD ARG A 464 4.895 6.713 10.474 1.00 0.00 C ATOM 372 NE ARG A 464 5.711 6.203 11.594 1.00 0.00 N ATOM 373 CZ ARG A 464 6.103 4.963 11.827 1.00 0.00 C ATOM 374 NH1 ARG A 464 5.734 3.949 11.095 1.00 0.00 N ATOM 375 NH2 ARG A 464 6.898 4.710 12.826 1.00 0.00 N ATOM 0 H ARG A 464 2.003 6.168 8.893 1.00 0.00 H new ATOM 0 HA ARG A 464 1.504 8.098 9.778 1.00 0.00 H new ATOM 0 HB2 ARG A 464 4.312 8.930 9.018 1.00 0.00 H new ATOM 0 HB3 ARG A 464 3.267 9.779 10.139 1.00 0.00 H new ATOM 0 HG2 ARG A 464 4.640 8.548 11.564 1.00 0.00 H new ATOM 0 HG3 ARG A 464 3.195 7.560 11.482 1.00 0.00 H new ATOM 0 HD2 ARG A 464 4.244 5.920 10.106 1.00 0.00 H new ATOM 0 HD3 ARG A 464 5.547 6.999 9.648 1.00 0.00 H new ATOM 0 HE ARG A 464 6.011 6.899 12.277 1.00 0.00 H new ATOM 0 HH11 ARG A 464 5.113 4.094 10.299 1.00 0.00 H new ATOM 0 HH12 ARG A 464 6.066 3.011 11.319 1.00 0.00 H new ATOM 0 HH21 ARG A 464 7.218 5.469 13.428 1.00 0.00 H new ATOM 0 HH22 ARG A 464 7.201 3.753 13.007 1.00 0.00 H new ATOM 389 N LEU A 465 1.123 8.690 6.882 1.00 0.00 N ATOM 390 CA LEU A 465 0.462 9.445 5.808 1.00 0.00 C ATOM 391 C LEU A 465 -1.059 9.504 6.003 1.00 0.00 C ATOM 392 O LEU A 465 -1.593 10.583 6.249 1.00 0.00 O ATOM 393 CB LEU A 465 0.836 8.838 4.441 1.00 0.00 C ATOM 394 CG LEU A 465 2.316 9.021 4.055 1.00 0.00 C ATOM 395 CD1 LEU A 465 2.586 8.249 2.769 1.00 0.00 C ATOM 396 CD2 LEU A 465 2.686 10.494 3.873 1.00 0.00 C ATOM 0 H LEU A 465 1.160 7.689 6.687 1.00 0.00 H new ATOM 0 HA LEU A 465 0.816 10.475 5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 465 0.604 7.773 4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 465 0.212 9.292 3.671 1.00 0.00 H new ATOM 0 HG LEU A 465 2.933 8.636 4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 465 3.631 8.370 2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 465 2.374 7.192 2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 465 1.947 8.632 1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 465 3.739 10.574 3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 465 2.073 10.928 3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 465 2.510 11.031 4.805 1.00 0.00 H new ATOM 408 N HIS A 466 -1.751 8.358 5.889 1.00 0.00 N ATOM 409 CA HIS A 466 -3.209 8.199 6.142 1.00 0.00 C ATOM 410 C HIS A 466 -4.176 9.269 5.587 1.00 0.00 C ATOM 411 O HIS A 466 -5.245 9.508 6.157 1.00 0.00 O ATOM 412 CB HIS A 466 -3.417 7.871 7.620 1.00 0.00 C ATOM 413 CG HIS A 466 -3.039 8.907 8.642 1.00 0.00 C ATOM 414 ND1 HIS A 466 -1.860 8.931 9.353 1.00 0.00 N ATOM 415 CD2 HIS A 466 -3.883 9.826 9.203 1.00 0.00 C ATOM 416 CE1 HIS A 466 -1.993 9.829 10.339 1.00 0.00 C ATOM 417 NE2 HIS A 466 -3.211 10.398 10.291 1.00 0.00 N ATOM 0 H HIS A 466 -1.305 7.484 5.610 1.00 0.00 H new ATOM 0 HA HIS A 466 -3.520 7.363 5.516 1.00 0.00 H new ATOM 0 HB2 HIS A 466 -4.471 7.633 7.762 1.00 0.00 H new ATOM 0 HB3 HIS A 466 -2.853 6.965 7.842 1.00 0.00 H new ATOM 0 HD2 HIS A 466 -4.882 10.066 8.869 1.00 0.00 H new ATOM 0 HE1 HIS A 466 -1.231 10.062 11.068 1.00 0.00 H new ATOM 0 HE2 HIS A 466 -3.575 11.109 10.925 1.00 0.00 H new ATOM 425 N LYS A 467 -3.827 9.877 4.446 1.00 0.00 N ATOM 426 CA LYS A 467 -4.583 10.959 3.782 1.00 0.00 C ATOM 427 C LYS A 467 -5.004 10.664 2.342 1.00 0.00 C ATOM 428 O LYS A 467 -6.062 11.114 1.901 1.00 0.00 O ATOM 429 CB LYS A 467 -3.775 12.268 3.856 1.00 0.00 C ATOM 430 CG LYS A 467 -2.473 12.176 3.041 1.00 0.00 C ATOM 431 CD LYS A 467 -1.664 13.456 2.940 1.00 0.00 C ATOM 432 CE LYS A 467 -2.429 14.619 2.298 1.00 0.00 C ATOM 433 NZ LYS A 467 -1.551 15.804 2.111 1.00 0.00 N ATOM 0 H LYS A 467 -2.980 9.623 3.937 1.00 0.00 H new ATOM 0 HA LYS A 467 -5.521 11.052 4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 467 -4.382 13.093 3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 467 -3.539 12.492 4.896 1.00 0.00 H new ATOM 0 HG2 LYS A 467 -1.843 11.405 3.484 1.00 0.00 H new ATOM 0 HG3 LYS A 467 -2.721 11.845 2.033 1.00 0.00 H new ATOM 0 HD2 LYS A 467 -1.342 13.752 3.938 1.00 0.00 H new ATOM 0 HD3 LYS A 467 -0.763 13.261 2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 467 -2.831 14.305 1.334 1.00 0.00 H new ATOM 0 HE3 LYS A 467 -3.279 14.889 2.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 467 -2.096 16.575 1.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 467 -1.188 16.116 3.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 467 -0.754 15.551 1.493 1.00 0.00 H new ATOM 447 N TYR A 468 -4.184 9.916 1.601 1.00 0.00 N ATOM 448 CA TYR A 468 -4.339 9.756 0.154 1.00 0.00 C ATOM 449 C TYR A 468 -5.511 8.859 -0.237 1.00 0.00 C ATOM 450 O TYR A 468 -5.970 8.908 -1.373 1.00 0.00 O ATOM 451 CB TYR A 468 -3.013 9.342 -0.475 1.00 0.00 C ATOM 452 CG TYR A 468 -1.955 10.384 -0.222 1.00 0.00 C ATOM 453 CD1 TYR A 468 -2.126 11.642 -0.833 1.00 0.00 C ATOM 454 CD2 TYR A 468 -0.855 10.137 0.614 1.00 0.00 C ATOM 455 CE1 TYR A 468 -1.172 12.652 -0.644 1.00 0.00 C ATOM 456 CE2 TYR A 468 0.118 11.142 0.772 1.00 0.00 C ATOM 457 CZ TYR A 468 -0.016 12.386 0.115 1.00 0.00 C ATOM 458 OH TYR A 468 0.928 13.352 0.274 1.00 0.00 O ATOM 0 H TYR A 468 -3.392 9.403 1.988 1.00 0.00 H new ATOM 0 HA TYR A 468 -4.608 10.728 -0.260 1.00 0.00 H new ATOM 0 HB2 TYR A 468 -2.693 8.385 -0.064 1.00 0.00 H new ATOM 0 HB3 TYR A 468 -3.142 9.201 -1.548 1.00 0.00 H new ATOM 0 HD1 TYR A 468 -2.994 11.829 -1.448 1.00 0.00 H new ATOM 0 HD2 TYR A 468 -0.757 9.192 1.127 1.00 0.00 H new ATOM 0 HE1 TYR A 468 -1.323 13.629 -1.078 1.00 0.00 H new ATOM 0 HE2 TYR A 468 0.976 10.960 1.402 1.00 0.00 H new ATOM 0 HH TYR A 468 1.532 13.102 1.005 1.00 0.00 H new ATOM 468 N SER A 469 -6.080 8.135 0.728 1.00 0.00 N ATOM 469 CA SER A 469 -7.312 7.354 0.647 1.00 0.00 C ATOM 470 C SER A 469 -8.482 8.142 0.058 1.00 0.00 C ATOM 471 O SER A 469 -9.316 7.568 -0.638 1.00 0.00 O ATOM 472 CB SER A 469 -7.707 6.929 2.068 1.00 0.00 C ATOM 473 OG SER A 469 -7.547 8.012 2.975 1.00 0.00 O ATOM 0 H SER A 469 -5.659 8.076 1.655 1.00 0.00 H new ATOM 0 HA SER A 469 -7.115 6.505 -0.007 1.00 0.00 H new ATOM 0 HB2 SER A 469 -8.743 6.589 2.077 1.00 0.00 H new ATOM 0 HB3 SER A 469 -7.092 6.087 2.386 1.00 0.00 H new ATOM 0 HG SER A 469 -7.805 7.725 3.876 1.00 0.00 H new ATOM 479 N ASP A 470 -8.499 9.463 0.254 1.00 0.00 N ATOM 480 CA ASP A 470 -9.457 10.400 -0.330 1.00 0.00 C ATOM 481 C ASP A 470 -9.546 10.302 -1.867 1.00 0.00 C ATOM 482 O ASP A 470 -10.602 10.546 -2.458 1.00 0.00 O ATOM 483 CB ASP A 470 -9.033 11.810 0.089 1.00 0.00 C ATOM 484 CG ASP A 470 -10.023 12.889 -0.383 1.00 0.00 C ATOM 485 OD1 ASP A 470 -11.152 12.953 0.160 1.00 0.00 O ATOM 486 OD2 ASP A 470 -9.665 13.693 -1.277 1.00 0.00 O ATOM 0 H ASP A 470 -7.814 9.927 0.851 1.00 0.00 H new ATOM 0 HA ASP A 470 -10.453 10.153 0.038 1.00 0.00 H new ATOM 0 HB2 ASP A 470 -8.946 11.852 1.175 1.00 0.00 H new ATOM 0 HB3 ASP A 470 -8.045 12.025 -0.319 1.00 0.00 H new ATOM 491 N ALA A 471 -8.441 9.897 -2.499 1.00 0.00 N ATOM 492 CA ALA A 471 -8.270 9.702 -3.935 1.00 0.00 C ATOM 493 C ALA A 471 -7.790 8.287 -4.334 1.00 0.00 C ATOM 494 O ALA A 471 -7.731 7.963 -5.522 1.00 0.00 O ATOM 495 CB ALA A 471 -7.329 10.810 -4.417 1.00 0.00 C ATOM 0 H ALA A 471 -7.587 9.683 -1.983 1.00 0.00 H new ATOM 0 HA ALA A 471 -9.239 9.771 -4.429 1.00 0.00 H new ATOM 0 HB1 ALA A 471 -7.168 10.709 -5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 471 -7.774 11.782 -4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 471 -6.374 10.728 -3.897 1.00 0.00 H new ATOM 501 N LEU A 472 -7.484 7.431 -3.350 1.00 0.00 N ATOM 502 CA LEU A 472 -6.792 6.153 -3.505 1.00 0.00 C ATOM 503 C LEU A 472 -7.523 4.934 -2.913 1.00 0.00 C ATOM 504 O LEU A 472 -7.292 3.816 -3.363 1.00 0.00 O ATOM 505 CB LEU A 472 -5.413 6.386 -2.864 1.00 0.00 C ATOM 506 CG LEU A 472 -4.313 5.436 -3.330 1.00 0.00 C ATOM 507 CD1 LEU A 472 -3.024 6.226 -3.529 1.00 0.00 C ATOM 508 CD2 LEU A 472 -4.114 4.250 -2.391 1.00 0.00 C ATOM 0 H LEU A 472 -7.726 7.624 -2.378 1.00 0.00 H new ATOM 0 HA LEU A 472 -6.732 5.881 -4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 472 -5.101 7.409 -3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 472 -5.513 6.298 -1.782 1.00 0.00 H new ATOM 0 HG LEU A 472 -4.620 4.999 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 472 -2.233 5.554 -3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 472 -3.183 6.999 -4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 472 -2.733 6.690 -2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 472 -3.319 3.611 -2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 472 -3.841 4.612 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 472 -5.040 3.678 -2.326 1.00 0.00 H new ATOM 520 N SER A 473 -8.445 5.111 -1.956 1.00 0.00 N ATOM 521 CA SER A 473 -9.182 4.014 -1.293 1.00 0.00 C ATOM 522 C SER A 473 -10.110 3.236 -2.230 1.00 0.00 C ATOM 523 O SER A 473 -10.413 2.066 -1.994 1.00 0.00 O ATOM 524 CB SER A 473 -9.967 4.560 -0.104 1.00 0.00 C ATOM 525 OG SER A 473 -10.356 3.538 0.796 1.00 0.00 O ATOM 0 H SER A 473 -8.707 6.035 -1.612 1.00 0.00 H new ATOM 0 HA SER A 473 -8.431 3.300 -0.954 1.00 0.00 H new ATOM 0 HB2 SER A 473 -9.359 5.294 0.424 1.00 0.00 H new ATOM 0 HB3 SER A 473 -10.854 5.081 -0.465 1.00 0.00 H new ATOM 0 HG SER A 473 -10.854 3.932 1.542 1.00 0.00 H new ATOM 531 N GLY A 474 -10.503 3.867 -3.339 1.00 0.00 N ATOM 532 CA GLY A 474 -11.186 3.223 -4.467 1.00 0.00 C ATOM 533 C GLY A 474 -10.322 2.189 -5.216 1.00 0.00 C ATOM 534 O GLY A 474 -10.846 1.451 -6.052 1.00 0.00 O ATOM 0 H GLY A 474 -10.352 4.865 -3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 474 -12.087 2.731 -4.100 1.00 0.00 H new ATOM 0 HA3 GLY A 474 -11.507 3.991 -5.171 1.00 0.00 H new ATOM 538 N THR A 475 -9.018 2.109 -4.915 1.00 0.00 N ATOM 539 CA THR A 475 -8.065 1.130 -5.468 1.00 0.00 C ATOM 540 C THR A 475 -7.661 0.101 -4.400 1.00 0.00 C ATOM 541 O THR A 475 -6.918 0.448 -3.478 1.00 0.00 O ATOM 542 CB THR A 475 -6.836 1.823 -6.079 1.00 0.00 C ATOM 543 OG1 THR A 475 -7.237 2.831 -6.991 1.00 0.00 O ATOM 544 CG2 THR A 475 -5.987 0.846 -6.888 1.00 0.00 C ATOM 0 H THR A 475 -8.579 2.749 -4.253 1.00 0.00 H new ATOM 0 HA THR A 475 -8.564 0.595 -6.276 1.00 0.00 H new ATOM 0 HB THR A 475 -6.269 2.232 -5.243 1.00 0.00 H new ATOM 0 HG1 THR A 475 -6.767 3.666 -6.784 1.00 0.00 H new ATOM 0 HG21 THR A 475 -5.127 1.370 -7.305 1.00 0.00 H new ATOM 0 HG22 THR A 475 -5.642 0.041 -6.240 1.00 0.00 H new ATOM 0 HG23 THR A 475 -6.585 0.428 -7.698 1.00 0.00 H new ATOM 552 N PRO A 476 -8.134 -1.164 -4.479 1.00 0.00 N ATOM 553 CA PRO A 476 -7.725 -2.219 -3.552 1.00 0.00 C ATOM 554 C PRO A 476 -6.243 -2.517 -3.690 1.00 0.00 C ATOM 555 O PRO A 476 -5.717 -2.497 -4.802 1.00 0.00 O ATOM 556 CB PRO A 476 -8.531 -3.469 -3.921 1.00 0.00 C ATOM 557 CG PRO A 476 -8.944 -3.222 -5.370 1.00 0.00 C ATOM 558 CD PRO A 476 -9.020 -1.706 -5.499 1.00 0.00 C ATOM 0 HA PRO A 476 -7.907 -1.909 -2.523 1.00 0.00 H new ATOM 0 HB2 PRO A 476 -7.932 -4.374 -3.825 1.00 0.00 H new ATOM 0 HB3 PRO A 476 -9.399 -3.591 -3.273 1.00 0.00 H new ATOM 0 HG2 PRO A 476 -8.218 -3.642 -6.066 1.00 0.00 H new ATOM 0 HG3 PRO A 476 -9.905 -3.687 -5.592 1.00 0.00 H new ATOM 0 HD2 PRO A 476 -8.711 -1.384 -6.493 1.00 0.00 H new ATOM 0 HD3 PRO A 476 -10.041 -1.354 -5.354 1.00 0.00 H new ATOM 566 N TRP A 477 -5.599 -2.907 -2.588 1.00 0.00 N ATOM 567 CA TRP A 477 -4.158 -3.176 -2.498 1.00 0.00 C ATOM 568 C TRP A 477 -3.596 -4.081 -3.604 1.00 0.00 C ATOM 569 O TRP A 477 -2.432 -3.987 -3.974 1.00 0.00 O ATOM 570 CB TRP A 477 -3.851 -3.832 -1.154 1.00 0.00 C ATOM 571 CG TRP A 477 -4.263 -5.269 -1.038 1.00 0.00 C ATOM 572 CD1 TRP A 477 -5.517 -5.740 -0.845 1.00 0.00 C ATOM 573 CD2 TRP A 477 -3.414 -6.448 -1.164 1.00 0.00 C ATOM 574 NE1 TRP A 477 -5.483 -7.110 -0.757 1.00 0.00 N ATOM 575 CE2 TRP A 477 -4.218 -7.613 -0.988 1.00 0.00 C ATOM 576 CE3 TRP A 477 -2.044 -6.644 -1.423 1.00 0.00 C ATOM 577 CZ2 TRP A 477 -3.683 -8.910 -1.059 1.00 0.00 C ATOM 578 CZ3 TRP A 477 -1.502 -7.933 -1.494 1.00 0.00 C ATOM 579 CH2 TRP A 477 -2.313 -9.067 -1.327 1.00 0.00 C ATOM 0 H TRP A 477 -6.082 -3.050 -1.701 1.00 0.00 H new ATOM 0 HA TRP A 477 -3.677 -2.205 -2.613 1.00 0.00 H new ATOM 0 HB2 TRP A 477 -2.779 -3.762 -0.970 1.00 0.00 H new ATOM 0 HB3 TRP A 477 -4.348 -3.263 -0.368 1.00 0.00 H new ATOM 0 HD1 TRP A 477 -6.407 -5.132 -0.772 1.00 0.00 H new ATOM 0 HE1 TRP A 477 -6.296 -7.688 -0.546 1.00 0.00 H new ATOM 0 HE3 TRP A 477 -1.402 -5.788 -1.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 477 -4.315 -9.773 -0.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 477 -0.445 -8.057 -1.680 1.00 0.00 H new ATOM 0 HH2 TRP A 477 -1.885 -10.056 -1.404 1.00 0.00 H new ATOM 590 N ILE A 478 -4.443 -4.942 -4.152 1.00 0.00 N ATOM 591 CA ILE A 478 -4.074 -5.964 -5.129 1.00 0.00 C ATOM 592 C ILE A 478 -4.007 -5.365 -6.540 1.00 0.00 C ATOM 593 O ILE A 478 -3.179 -5.787 -7.345 1.00 0.00 O ATOM 594 CB ILE A 478 -5.021 -7.181 -5.010 1.00 0.00 C ATOM 595 CG1 ILE A 478 -4.425 -8.477 -5.591 1.00 0.00 C ATOM 596 CG2 ILE A 478 -6.373 -6.932 -5.695 1.00 0.00 C ATOM 597 CD1 ILE A 478 -3.333 -9.090 -4.711 1.00 0.00 C ATOM 0 H ILE A 478 -5.437 -4.951 -3.923 1.00 0.00 H new ATOM 0 HA ILE A 478 -3.071 -6.334 -4.916 1.00 0.00 H new ATOM 0 HB ILE A 478 -5.163 -7.309 -3.937 1.00 0.00 H new ATOM 0 HG12 ILE A 478 -5.223 -9.206 -5.728 1.00 0.00 H new ATOM 0 HG13 ILE A 478 -4.012 -8.268 -6.578 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -7.004 -7.814 -5.585 1.00 0.00 H new ATOM 0 HG22 ILE A 478 -6.863 -6.075 -5.232 1.00 0.00 H new ATOM 0 HG23 ILE A 478 -6.213 -6.730 -6.754 1.00 0.00 H new ATOM 0 HD11 ILE A 478 -2.957 -10.000 -5.179 1.00 0.00 H new ATOM 0 HD12 ILE A 478 -2.517 -8.377 -4.595 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -3.747 -9.330 -3.732 1.00 0.00 H new ATOM 609 N GLU A 479 -4.829 -4.346 -6.834 1.00 0.00 N ATOM 610 CA GLU A 479 -4.671 -3.523 -8.046 1.00 0.00 C ATOM 611 C GLU A 479 -3.687 -2.360 -7.798 1.00 0.00 C ATOM 612 O GLU A 479 -3.180 -1.745 -8.736 1.00 0.00 O ATOM 613 CB GLU A 479 -6.035 -2.972 -8.495 1.00 0.00 C ATOM 614 CG GLU A 479 -6.982 -4.090 -8.953 1.00 0.00 C ATOM 615 CD GLU A 479 -8.252 -3.510 -9.605 1.00 0.00 C ATOM 616 OE1 GLU A 479 -8.243 -3.256 -10.835 1.00 0.00 O ATOM 617 OE2 GLU A 479 -9.272 -3.314 -8.901 1.00 0.00 O ATOM 0 H GLU A 479 -5.615 -4.070 -6.246 1.00 0.00 H new ATOM 0 HA GLU A 479 -4.264 -4.155 -8.835 1.00 0.00 H new ATOM 0 HB2 GLU A 479 -6.493 -2.423 -7.673 1.00 0.00 H new ATOM 0 HB3 GLU A 479 -5.890 -2.263 -9.310 1.00 0.00 H new ATOM 0 HG2 GLU A 479 -6.468 -4.738 -9.664 1.00 0.00 H new ATOM 0 HG3 GLU A 479 -7.258 -4.709 -8.099 1.00 0.00 H new ATOM 624 N LEU A 480 -3.413 -2.064 -6.523 1.00 0.00 N ATOM 625 CA LEU A 480 -2.681 -0.900 -6.043 1.00 0.00 C ATOM 626 C LEU A 480 -1.182 -1.036 -6.035 1.00 0.00 C ATOM 627 O LEU A 480 -0.479 -0.167 -6.535 1.00 0.00 O ATOM 628 CB LEU A 480 -3.063 -0.654 -4.582 1.00 0.00 C ATOM 629 CG LEU A 480 -2.614 0.689 -4.038 1.00 0.00 C ATOM 630 CD1 LEU A 480 -3.532 1.697 -4.672 1.00 0.00 C ATOM 631 CD2 LEU A 480 -2.774 0.715 -2.527 1.00 0.00 C ATOM 0 H LEU A 480 -3.716 -2.669 -5.759 1.00 0.00 H new ATOM 0 HA LEU A 480 -2.948 -0.101 -6.734 1.00 0.00 H new ATOM 0 HB2 LEU A 480 -4.146 -0.729 -4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 480 -2.632 -1.444 -3.968 1.00 0.00 H new ATOM 0 HG LEU A 480 -1.567 0.894 -4.260 1.00 0.00 H new ATOM 0 HD11 LEU A 480 -3.269 2.697 -4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 480 -3.431 1.650 -5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 480 -4.563 1.476 -4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 480 -2.450 1.682 -2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 480 -3.821 0.555 -2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 480 -2.166 -0.074 -2.083 1.00 0.00 H new ATOM 643 N ILE A 481 -0.677 -2.089 -5.397 1.00 0.00 N ATOM 644 CA ILE A 481 0.749 -2.206 -5.116 1.00 0.00 C ATOM 645 C ILE A 481 1.578 -2.216 -6.416 1.00 0.00 C ATOM 646 O ILE A 481 2.774 -1.939 -6.439 1.00 0.00 O ATOM 647 CB ILE A 481 1.002 -3.462 -4.251 1.00 0.00 C ATOM 648 CG1 ILE A 481 0.597 -4.733 -5.037 1.00 0.00 C ATOM 649 CG2 ILE A 481 0.334 -3.270 -2.873 1.00 0.00 C ATOM 650 CD1 ILE A 481 0.639 -6.021 -4.228 1.00 0.00 C ATOM 0 H ILE A 481 -1.237 -2.874 -5.065 1.00 0.00 H new ATOM 0 HA ILE A 481 1.076 -1.332 -4.553 1.00 0.00 H new ATOM 0 HB ILE A 481 2.061 -3.605 -4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 481 -0.412 -4.597 -5.426 1.00 0.00 H new ATOM 0 HG13 ILE A 481 1.259 -4.838 -5.897 1.00 0.00 H new ATOM 0 HG21 ILE A 481 0.509 -4.153 -2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 481 0.759 -2.395 -2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 481 -0.738 -3.127 -3.005 1.00 0.00 H new ATOM 0 HD11 ILE A 481 0.340 -6.857 -4.860 1.00 0.00 H new ATOM 0 HD12 ILE A 481 1.652 -6.187 -3.861 1.00 0.00 H new ATOM 0 HD13 ILE A 481 -0.045 -5.942 -3.383 1.00 0.00 H new ATOM 662 N TYR A 482 0.872 -2.501 -7.511 1.00 0.00 N ATOM 663 CA TYR A 482 1.261 -2.567 -8.910 1.00 0.00 C ATOM 664 C TYR A 482 1.490 -1.195 -9.568 1.00 0.00 C ATOM 665 O TYR A 482 1.990 -1.134 -10.696 1.00 0.00 O ATOM 666 CB TYR A 482 0.104 -3.276 -9.624 1.00 0.00 C ATOM 667 CG TYR A 482 -0.028 -4.783 -9.459 1.00 0.00 C ATOM 668 CD1 TYR A 482 0.879 -5.549 -8.692 1.00 0.00 C ATOM 669 CD2 TYR A 482 -1.114 -5.423 -10.088 1.00 0.00 C ATOM 670 CE1 TYR A 482 0.701 -6.939 -8.557 1.00 0.00 C ATOM 671 CE2 TYR A 482 -1.293 -6.813 -9.965 1.00 0.00 C ATOM 672 CZ TYR A 482 -0.381 -7.577 -9.207 1.00 0.00 C ATOM 673 OH TYR A 482 -0.542 -8.925 -9.117 1.00 0.00 O ATOM 0 H TYR A 482 -0.120 -2.720 -7.417 1.00 0.00 H new ATOM 0 HA TYR A 482 2.216 -3.086 -8.986 1.00 0.00 H new ATOM 0 HB2 TYR A 482 -0.826 -2.821 -9.283 1.00 0.00 H new ATOM 0 HB3 TYR A 482 0.191 -3.064 -10.690 1.00 0.00 H new ATOM 0 HD1 TYR A 482 1.714 -5.065 -8.207 1.00 0.00 H new ATOM 0 HD2 TYR A 482 -1.815 -4.842 -10.669 1.00 0.00 H new ATOM 0 HE1 TYR A 482 1.389 -7.517 -7.958 1.00 0.00 H new ATOM 0 HE2 TYR A 482 -2.128 -7.295 -10.451 1.00 0.00 H new ATOM 0 HH TYR A 482 -1.337 -9.194 -9.623 1.00 0.00 H new ATOM 683 N LEU A 483 1.124 -0.101 -8.892 1.00 0.00 N ATOM 684 CA LEU A 483 1.440 1.264 -9.339 1.00 0.00 C ATOM 685 C LEU A 483 2.958 1.540 -9.251 1.00 0.00 C ATOM 686 O LEU A 483 3.785 0.665 -8.981 1.00 0.00 O ATOM 687 CB LEU A 483 0.653 2.320 -8.534 1.00 0.00 C ATOM 688 CG LEU A 483 -0.880 2.170 -8.519 1.00 0.00 C ATOM 689 CD1 LEU A 483 -1.465 2.817 -7.284 1.00 0.00 C ATOM 690 CD2 LEU A 483 -1.527 2.954 -9.657 1.00 0.00 C ATOM 0 H LEU A 483 0.599 -0.135 -8.018 1.00 0.00 H new ATOM 0 HA LEU A 483 1.135 1.341 -10.383 1.00 0.00 H new ATOM 0 HB2 LEU A 483 1.008 2.298 -7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 483 0.896 3.305 -8.934 1.00 0.00 H new ATOM 0 HG LEU A 483 -1.070 1.099 -8.582 1.00 0.00 H new ATOM 0 HD11 LEU A 483 -2.549 2.701 -7.291 1.00 0.00 H new ATOM 0 HD12 LEU A 483 -1.055 2.340 -6.394 1.00 0.00 H new ATOM 0 HD13 LEU A 483 -1.214 3.878 -7.275 1.00 0.00 H new ATOM 0 HD21 LEU A 483 -2.609 2.827 -9.617 1.00 0.00 H new ATOM 0 HD22 LEU A 483 -1.282 4.011 -9.556 1.00 0.00 H new ATOM 0 HD23 LEU A 483 -1.153 2.585 -10.612 1.00 0.00 H new ATOM 702 N ASP A 484 3.322 2.793 -9.491 1.00 0.00 N ATOM 703 CA ASP A 484 4.686 3.292 -9.604 1.00 0.00 C ATOM 704 C ASP A 484 4.810 4.678 -8.954 1.00 0.00 C ATOM 705 O ASP A 484 3.815 5.266 -8.522 1.00 0.00 O ATOM 706 CB ASP A 484 4.975 3.453 -11.095 1.00 0.00 C ATOM 707 CG ASP A 484 6.466 3.490 -11.486 1.00 0.00 C ATOM 708 OD1 ASP A 484 7.346 3.303 -10.613 1.00 0.00 O ATOM 709 OD2 ASP A 484 6.759 3.719 -12.684 1.00 0.00 O ATOM 0 H ASP A 484 2.631 3.532 -9.620 1.00 0.00 H new ATOM 0 HA ASP A 484 5.375 2.605 -9.113 1.00 0.00 H new ATOM 0 HB2 ASP A 484 4.498 2.631 -11.630 1.00 0.00 H new ATOM 0 HB3 ASP A 484 4.505 4.374 -11.440 1.00 0.00 H new ATOM 714 N ASP A 485 6.019 5.229 -9.004 1.00 0.00 N ATOM 715 CA ASP A 485 6.387 6.568 -8.570 1.00 0.00 C ATOM 716 C ASP A 485 5.405 7.655 -9.037 1.00 0.00 C ATOM 717 O ASP A 485 4.550 8.101 -8.275 1.00 0.00 O ATOM 718 CB ASP A 485 7.844 6.832 -9.000 1.00 0.00 C ATOM 719 CG ASP A 485 8.354 8.208 -8.560 1.00 0.00 C ATOM 720 OD1 ASP A 485 8.339 8.510 -7.348 1.00 0.00 O ATOM 721 OD2 ASP A 485 8.741 9.023 -9.425 1.00 0.00 O ATOM 0 H ASP A 485 6.819 4.716 -9.374 1.00 0.00 H new ATOM 0 HA ASP A 485 6.321 6.620 -7.483 1.00 0.00 H new ATOM 0 HB2 ASP A 485 8.488 6.060 -8.579 1.00 0.00 H new ATOM 0 HB3 ASP A 485 7.918 6.752 -10.085 1.00 0.00 H new ATOM 726 N GLU A 486 5.477 8.082 -10.296 1.00 0.00 N ATOM 727 CA GLU A 486 4.650 9.148 -10.833 1.00 0.00 C ATOM 728 C GLU A 486 3.221 8.710 -11.190 1.00 0.00 C ATOM 729 O GLU A 486 2.409 9.539 -11.585 1.00 0.00 O ATOM 730 CB GLU A 486 5.399 9.716 -12.040 1.00 0.00 C ATOM 731 CG GLU A 486 5.028 11.181 -12.226 1.00 0.00 C ATOM 732 CD GLU A 486 5.836 11.858 -13.348 1.00 0.00 C ATOM 733 OE1 GLU A 486 7.007 12.247 -13.111 1.00 0.00 O ATOM 734 OE2 GLU A 486 5.300 12.021 -14.471 1.00 0.00 O ATOM 0 H GLU A 486 6.124 7.687 -10.979 1.00 0.00 H new ATOM 0 HA GLU A 486 4.498 9.909 -10.068 1.00 0.00 H new ATOM 0 HB2 GLU A 486 6.475 9.618 -11.893 1.00 0.00 H new ATOM 0 HB3 GLU A 486 5.147 9.150 -12.937 1.00 0.00 H new ATOM 0 HG2 GLU A 486 3.965 11.257 -12.453 1.00 0.00 H new ATOM 0 HG3 GLU A 486 5.194 11.716 -11.291 1.00 0.00 H new ATOM 741 N THR A 487 2.875 7.431 -11.028 1.00 0.00 N ATOM 742 CA THR A 487 1.484 6.964 -11.231 1.00 0.00 C ATOM 743 C THR A 487 0.602 7.085 -9.994 1.00 0.00 C ATOM 744 O THR A 487 -0.572 7.430 -10.116 1.00 0.00 O ATOM 745 CB THR A 487 1.404 5.551 -11.822 1.00 0.00 C ATOM 746 OG1 THR A 487 2.088 5.504 -13.057 1.00 0.00 O ATOM 747 CG2 THR A 487 -0.037 5.107 -12.102 1.00 0.00 C ATOM 0 H THR A 487 3.529 6.696 -10.758 1.00 0.00 H new ATOM 0 HA THR A 487 1.080 7.655 -11.970 1.00 0.00 H new ATOM 0 HB THR A 487 1.850 4.889 -11.079 1.00 0.00 H new ATOM 0 HG1 THR A 487 2.034 4.598 -13.427 1.00 0.00 H new ATOM 0 HG21 THR A 487 -0.033 4.100 -12.519 1.00 0.00 H new ATOM 0 HG22 THR A 487 -0.607 5.112 -11.173 1.00 0.00 H new ATOM 0 HG23 THR A 487 -0.497 5.793 -12.814 1.00 0.00 H new ATOM 755 N LEU A 488 1.141 6.919 -8.788 1.00 0.00 N ATOM 756 CA LEU A 488 0.449 7.263 -7.548 1.00 0.00 C ATOM 757 C LEU A 488 0.025 8.727 -7.512 1.00 0.00 C ATOM 758 O LEU A 488 -0.962 9.114 -6.893 1.00 0.00 O ATOM 759 CB LEU A 488 1.446 6.983 -6.423 1.00 0.00 C ATOM 760 CG LEU A 488 1.457 5.503 -6.049 1.00 0.00 C ATOM 761 CD1 LEU A 488 2.670 5.253 -5.163 1.00 0.00 C ATOM 762 CD2 LEU A 488 0.170 5.173 -5.300 1.00 0.00 C ATOM 0 H LEU A 488 2.077 6.539 -8.643 1.00 0.00 H new ATOM 0 HA LEU A 488 -0.466 6.678 -7.452 1.00 0.00 H new ATOM 0 HB2 LEU A 488 2.445 7.289 -6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 488 1.188 7.580 -5.548 1.00 0.00 H new ATOM 0 HG LEU A 488 1.515 4.872 -6.936 1.00 0.00 H new ATOM 0 HD11 LEU A 488 2.703 4.201 -4.880 1.00 0.00 H new ATOM 0 HD12 LEU A 488 3.578 5.511 -5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 488 2.598 5.868 -4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 488 0.168 4.117 -5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 488 0.109 5.780 -4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 488 -0.687 5.385 -5.939 1.00 0.00 H new ATOM 774 N GLU A 489 0.756 9.560 -8.227 1.00 0.00 N ATOM 775 CA GLU A 489 0.515 10.956 -8.428 1.00 0.00 C ATOM 776 C GLU A 489 -0.621 11.227 -9.434 1.00 0.00 C ATOM 777 O GLU A 489 -1.288 12.255 -9.346 1.00 0.00 O ATOM 778 CB GLU A 489 1.903 11.425 -8.823 1.00 0.00 C ATOM 779 CG GLU A 489 1.938 12.872 -9.251 1.00 0.00 C ATOM 780 CD GLU A 489 3.297 13.533 -8.985 1.00 0.00 C ATOM 781 OE1 GLU A 489 3.759 13.482 -7.818 1.00 0.00 O ATOM 782 OE2 GLU A 489 3.897 14.110 -9.920 1.00 0.00 O ATOM 0 H GLU A 489 1.594 9.244 -8.715 1.00 0.00 H new ATOM 0 HA GLU A 489 0.129 11.503 -7.567 1.00 0.00 H new ATOM 0 HB2 GLU A 489 2.581 11.285 -7.981 1.00 0.00 H new ATOM 0 HB3 GLU A 489 2.273 10.802 -9.637 1.00 0.00 H new ATOM 0 HG2 GLU A 489 1.708 12.938 -10.314 1.00 0.00 H new ATOM 0 HG3 GLU A 489 1.160 13.423 -8.722 1.00 0.00 H new ATOM 789 N LYS A 490 -0.940 10.277 -10.322 1.00 0.00 N ATOM 790 CA LYS A 490 -2.142 10.295 -11.154 1.00 0.00 C ATOM 791 C LYS A 490 -3.383 9.829 -10.381 1.00 0.00 C ATOM 792 O LYS A 490 -4.500 10.194 -10.751 1.00 0.00 O ATOM 793 CB LYS A 490 -1.901 9.456 -12.407 1.00 0.00 C ATOM 794 CG LYS A 490 -0.602 9.753 -13.150 1.00 0.00 C ATOM 795 CD LYS A 490 -0.431 11.204 -13.562 1.00 0.00 C ATOM 796 CE LYS A 490 1.025 11.399 -14.004 1.00 0.00 C ATOM 797 NZ LYS A 490 1.274 12.769 -14.522 1.00 0.00 N ATOM 0 H LYS A 490 -0.354 9.458 -10.483 1.00 0.00 H new ATOM 0 HA LYS A 490 -2.345 11.323 -11.454 1.00 0.00 H new ATOM 0 HB2 LYS A 490 -1.907 8.403 -12.126 1.00 0.00 H new ATOM 0 HB3 LYS A 490 -2.735 9.608 -13.092 1.00 0.00 H new ATOM 0 HG2 LYS A 490 0.238 9.467 -12.517 1.00 0.00 H new ATOM 0 HG3 LYS A 490 -0.557 9.127 -14.041 1.00 0.00 H new ATOM 0 HD2 LYS A 490 -1.113 11.453 -14.375 1.00 0.00 H new ATOM 0 HD3 LYS A 490 -0.670 11.868 -12.731 1.00 0.00 H new ATOM 0 HE2 LYS A 490 1.688 11.205 -13.161 1.00 0.00 H new ATOM 0 HE3 LYS A 490 1.269 10.670 -14.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 490 2.270 12.856 -14.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 490 0.660 12.947 -15.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 490 1.066 13.465 -13.777 1.00 0.00 H new ATOM 811 N LYS A 491 -3.194 9.070 -9.287 1.00 0.00 N ATOM 812 CA LYS A 491 -4.223 8.747 -8.292 1.00 0.00 C ATOM 813 C LYS A 491 -4.503 9.982 -7.448 1.00 0.00 C ATOM 814 O LYS A 491 -5.623 10.490 -7.419 1.00 0.00 O ATOM 815 CB LYS A 491 -3.832 7.466 -7.511 1.00 0.00 C ATOM 816 CG LYS A 491 -3.749 6.172 -8.338 1.00 0.00 C ATOM 817 CD LYS A 491 -5.110 5.693 -8.845 1.00 0.00 C ATOM 818 CE LYS A 491 -4.998 4.264 -9.392 1.00 0.00 C ATOM 819 NZ LYS A 491 -6.334 3.652 -9.615 1.00 0.00 N ATOM 0 H LYS A 491 -2.290 8.653 -9.067 1.00 0.00 H new ATOM 0 HA LYS A 491 -5.173 8.493 -8.762 1.00 0.00 H new ATOM 0 HB2 LYS A 491 -2.865 7.634 -7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 491 -4.557 7.317 -6.711 1.00 0.00 H new ATOM 0 HG2 LYS A 491 -3.088 6.334 -9.189 1.00 0.00 H new ATOM 0 HG3 LYS A 491 -3.299 5.388 -7.730 1.00 0.00 H new ATOM 0 HD2 LYS A 491 -5.839 5.724 -8.036 1.00 0.00 H new ATOM 0 HD3 LYS A 491 -5.471 6.362 -9.626 1.00 0.00 H new ATOM 0 HE2 LYS A 491 -4.443 4.276 -10.330 1.00 0.00 H new ATOM 0 HE3 LYS A 491 -4.429 3.651 -8.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 491 -6.242 2.846 -10.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 491 -6.721 3.322 -8.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 491 -6.975 4.359 -10.028 1.00 0.00 H new ATOM 833 N GLY A 492 -3.449 10.512 -6.853 1.00 0.00 N ATOM 834 CA GLY A 492 -3.361 11.832 -6.274 1.00 0.00 C ATOM 835 C GLY A 492 -2.664 11.917 -4.942 1.00 0.00 C ATOM 836 O GLY A 492 -2.998 12.720 -4.074 1.00 0.00 O ATOM 0 H GLY A 492 -2.576 9.993 -6.758 1.00 0.00 H new ATOM 0 HA2 GLY A 492 -2.841 12.483 -6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 492 -4.371 12.227 -6.161 1.00 0.00 H new ATOM 840 N VAL A 493 -1.628 11.099 -4.842 1.00 0.00 N ATOM 841 CA VAL A 493 -0.608 11.180 -3.824 1.00 0.00 C ATOM 842 C VAL A 493 0.155 12.506 -3.961 1.00 0.00 C ATOM 843 O VAL A 493 0.445 13.205 -2.998 1.00 0.00 O ATOM 844 CB VAL A 493 0.261 9.940 -3.983 1.00 0.00 C ATOM 845 CG1 VAL A 493 1.493 10.117 -3.156 1.00 0.00 C ATOM 846 CG2 VAL A 493 -0.566 8.722 -3.569 1.00 0.00 C ATOM 0 H VAL A 493 -1.474 10.332 -5.497 1.00 0.00 H new ATOM 0 HA VAL A 493 -1.014 11.188 -2.812 1.00 0.00 H new ATOM 0 HB VAL A 493 0.580 9.788 -5.014 1.00 0.00 H new ATOM 0 HG11 VAL A 493 2.129 9.237 -3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 493 2.036 10.999 -3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 493 1.214 10.244 -2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 493 0.037 7.820 -3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -0.878 8.830 -2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -1.447 8.647 -4.207 1.00 0.00 H new ATOM 856 N LEU A 494 0.420 12.863 -5.213 1.00 0.00 N ATOM 857 CA LEU A 494 0.919 14.138 -5.726 1.00 0.00 C ATOM 858 C LEU A 494 2.153 14.741 -5.051 1.00 0.00 C ATOM 859 O LEU A 494 2.369 15.956 -4.998 1.00 0.00 O ATOM 860 CB LEU A 494 -0.252 15.098 -5.882 1.00 0.00 C ATOM 861 CG LEU A 494 -0.909 14.728 -7.215 1.00 0.00 C ATOM 862 CD1 LEU A 494 -2.394 14.739 -7.066 1.00 0.00 C ATOM 863 CD2 LEU A 494 -0.397 15.612 -8.336 1.00 0.00 C ATOM 0 H LEU A 494 0.276 12.199 -5.974 1.00 0.00 H new ATOM 0 HA LEU A 494 1.350 13.922 -6.703 1.00 0.00 H new ATOM 0 HB2 LEU A 494 -0.956 14.996 -5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 494 0.087 16.134 -5.886 1.00 0.00 H new ATOM 0 HG LEU A 494 -0.630 13.713 -7.497 1.00 0.00 H new ATOM 0 HD11 LEU A 494 -2.857 14.475 -8.017 1.00 0.00 H new ATOM 0 HD12 LEU A 494 -2.689 14.016 -6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 494 -2.722 15.734 -6.766 1.00 0.00 H new ATOM 0 HD21 LEU A 494 -0.879 15.329 -9.272 1.00 0.00 H new ATOM 0 HD22 LEU A 494 -0.625 16.654 -8.111 1.00 0.00 H new ATOM 0 HD23 LEU A 494 0.682 15.490 -8.432 1.00 0.00 H new ATOM 875 N ALA A 495 2.953 13.839 -4.523 1.00 0.00 N ATOM 876 CA ALA A 495 4.101 14.118 -3.679 1.00 0.00 C ATOM 877 C ALA A 495 5.108 12.997 -3.821 1.00 0.00 C ATOM 878 O ALA A 495 4.812 11.867 -3.447 1.00 0.00 O ATOM 879 CB ALA A 495 3.643 14.205 -2.222 1.00 0.00 C ATOM 0 H ALA A 495 2.815 12.840 -4.677 1.00 0.00 H new ATOM 0 HA ALA A 495 4.558 15.061 -3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 495 4.501 14.414 -1.583 1.00 0.00 H new ATOM 0 HB2 ALA A 495 2.909 15.005 -2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 495 3.192 13.258 -1.925 1.00 0.00 H new ATOM 885 N LEU A 496 6.307 13.310 -4.301 1.00 0.00 N ATOM 886 CA LEU A 496 7.438 12.390 -4.361 1.00 0.00 C ATOM 887 C LEU A 496 7.675 11.661 -3.052 1.00 0.00 C ATOM 888 O LEU A 496 7.789 10.438 -3.037 1.00 0.00 O ATOM 889 CB LEU A 496 8.644 13.172 -4.830 1.00 0.00 C ATOM 890 CG LEU A 496 10.001 12.447 -4.683 1.00 0.00 C ATOM 891 CD1 LEU A 496 10.934 12.929 -5.783 1.00 0.00 C ATOM 892 CD2 LEU A 496 10.735 12.747 -3.368 1.00 0.00 C ATOM 0 H LEU A 496 6.525 14.236 -4.669 1.00 0.00 H new ATOM 0 HA LEU A 496 7.224 11.592 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 496 8.502 13.432 -5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 496 8.689 14.108 -4.273 1.00 0.00 H new ATOM 0 HG LEU A 496 9.769 11.383 -4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 496 11.896 12.425 -5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 496 10.497 12.703 -6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 496 11.078 14.006 -5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 496 11.677 12.200 -3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 496 10.935 13.816 -3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 496 10.115 12.438 -2.527 1.00 0.00 H new ATOM 904 N GLY A 497 7.710 12.390 -1.942 1.00 0.00 N ATOM 905 CA GLY A 497 8.016 11.733 -0.683 1.00 0.00 C ATOM 906 C GLY A 497 6.860 10.978 -0.057 1.00 0.00 C ATOM 907 O GLY A 497 7.071 10.220 0.886 1.00 0.00 O ATOM 0 H GLY A 497 7.538 13.394 -1.888 1.00 0.00 H new ATOM 0 HA2 GLY A 497 8.840 11.038 -0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 497 8.366 12.484 0.026 1.00 0.00 H new ATOM 911 N ALA A 498 5.669 11.110 -0.634 1.00 0.00 N ATOM 912 CA ALA A 498 4.530 10.256 -0.313 1.00 0.00 C ATOM 913 C ALA A 498 4.519 9.019 -1.217 1.00 0.00 C ATOM 914 O ALA A 498 4.503 7.889 -0.742 1.00 0.00 O ATOM 915 CB ALA A 498 3.250 11.057 -0.483 1.00 0.00 C ATOM 0 H ALA A 498 5.466 11.816 -1.341 1.00 0.00 H new ATOM 0 HA ALA A 498 4.607 9.915 0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 498 2.393 10.427 -0.245 1.00 0.00 H new ATOM 0 HB2 ALA A 498 3.266 11.916 0.188 1.00 0.00 H new ATOM 0 HB3 ALA A 498 3.172 11.403 -1.514 1.00 0.00 H new ATOM 921 N ARG A 499 4.583 9.217 -2.538 1.00 0.00 N ATOM 922 CA ARG A 499 4.557 8.148 -3.543 1.00 0.00 C ATOM 923 C ARG A 499 5.726 7.156 -3.375 1.00 0.00 C ATOM 924 O ARG A 499 5.535 5.972 -3.588 1.00 0.00 O ATOM 925 CB ARG A 499 4.408 8.744 -4.963 1.00 0.00 C ATOM 926 CG ARG A 499 5.612 9.565 -5.417 1.00 0.00 C ATOM 927 CD ARG A 499 5.395 10.588 -6.548 1.00 0.00 C ATOM 928 NE ARG A 499 6.620 10.744 -7.356 1.00 0.00 N ATOM 929 CZ ARG A 499 7.037 11.761 -8.082 1.00 0.00 C ATOM 930 NH1 ARG A 499 6.414 12.899 -8.152 1.00 0.00 N ATOM 931 NH2 ARG A 499 8.128 11.643 -8.777 1.00 0.00 N ATOM 0 H ARG A 499 4.656 10.148 -2.948 1.00 0.00 H new ATOM 0 HA ARG A 499 3.671 7.534 -3.381 1.00 0.00 H new ATOM 0 HB2 ARG A 499 4.245 7.932 -5.672 1.00 0.00 H new ATOM 0 HB3 ARG A 499 3.519 9.374 -4.991 1.00 0.00 H new ATOM 0 HG2 ARG A 499 5.999 10.100 -4.550 1.00 0.00 H new ATOM 0 HG3 ARG A 499 6.390 8.871 -5.737 1.00 0.00 H new ATOM 0 HD2 ARG A 499 4.573 10.263 -7.185 1.00 0.00 H new ATOM 0 HD3 ARG A 499 5.109 11.550 -6.124 1.00 0.00 H new ATOM 0 HE ARG A 499 7.243 9.936 -7.352 1.00 0.00 H new ATOM 0 HH11 ARG A 499 5.552 13.041 -7.626 1.00 0.00 H new ATOM 0 HH12 ARG A 499 6.787 13.650 -8.733 1.00 0.00 H new ATOM 0 HH21 ARG A 499 8.653 10.769 -8.757 1.00 0.00 H new ATOM 0 HH22 ARG A 499 8.459 12.425 -9.342 1.00 0.00 H new ATOM 945 N ARG A 500 6.899 7.566 -2.869 1.00 0.00 N ATOM 946 CA ARG A 500 8.092 6.740 -2.587 1.00 0.00 C ATOM 947 C ARG A 500 7.948 5.972 -1.291 1.00 0.00 C ATOM 948 O ARG A 500 8.263 4.788 -1.202 1.00 0.00 O ATOM 949 CB ARG A 500 9.256 7.704 -2.407 1.00 0.00 C ATOM 950 CG ARG A 500 9.860 8.090 -3.746 1.00 0.00 C ATOM 951 CD ARG A 500 11.130 8.882 -3.460 1.00 0.00 C ATOM 952 NE ARG A 500 11.823 9.254 -4.708 1.00 0.00 N ATOM 953 CZ ARG A 500 13.030 9.776 -4.827 1.00 0.00 C ATOM 954 NH1 ARG A 500 13.764 10.071 -3.791 1.00 0.00 N ATOM 955 NH2 ARG A 500 13.529 10.018 -6.006 1.00 0.00 N ATOM 0 H ARG A 500 7.054 8.545 -2.629 1.00 0.00 H new ATOM 0 HA ARG A 500 8.235 6.029 -3.401 1.00 0.00 H new ATOM 0 HB2 ARG A 500 8.914 8.599 -1.888 1.00 0.00 H new ATOM 0 HB3 ARG A 500 10.019 7.244 -1.780 1.00 0.00 H new ATOM 0 HG2 ARG A 500 10.086 7.202 -4.336 1.00 0.00 H new ATOM 0 HG3 ARG A 500 9.157 8.688 -4.326 1.00 0.00 H new ATOM 0 HD2 ARG A 500 10.881 9.782 -2.898 1.00 0.00 H new ATOM 0 HD3 ARG A 500 11.797 8.290 -2.834 1.00 0.00 H new ATOM 0 HE ARG A 500 11.313 9.090 -5.576 1.00 0.00 H new ATOM 0 HH11 ARG A 500 13.410 9.900 -2.850 1.00 0.00 H new ATOM 0 HH12 ARG A 500 14.692 10.473 -3.922 1.00 0.00 H new ATOM 0 HH21 ARG A 500 12.987 9.804 -6.843 1.00 0.00 H new ATOM 0 HH22 ARG A 500 14.462 10.421 -6.092 1.00 0.00 H new ATOM 969 N LYS A 501 7.417 6.661 -0.286 1.00 0.00 N ATOM 970 CA LYS A 501 6.933 6.008 0.944 1.00 0.00 C ATOM 971 C LYS A 501 5.973 4.886 0.609 1.00 0.00 C ATOM 972 O LYS A 501 5.937 3.852 1.273 1.00 0.00 O ATOM 973 CB LYS A 501 6.130 7.007 1.777 1.00 0.00 C ATOM 974 CG LYS A 501 6.648 7.211 3.210 1.00 0.00 C ATOM 975 CD LYS A 501 7.740 8.282 3.367 1.00 0.00 C ATOM 976 CE LYS A 501 8.947 8.137 2.422 1.00 0.00 C ATOM 977 NZ LYS A 501 9.987 9.154 2.732 1.00 0.00 N ATOM 0 H LYS A 501 7.307 7.675 -0.291 1.00 0.00 H new ATOM 0 HA LYS A 501 7.806 5.635 1.480 1.00 0.00 H new ATOM 0 HB2 LYS A 501 6.130 7.969 1.265 1.00 0.00 H new ATOM 0 HB3 LYS A 501 5.094 6.671 1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 501 5.806 7.478 3.849 1.00 0.00 H new ATOM 0 HG3 LYS A 501 7.038 6.261 3.577 1.00 0.00 H new ATOM 0 HD2 LYS A 501 7.290 9.262 3.207 1.00 0.00 H new ATOM 0 HD3 LYS A 501 8.101 8.261 4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 501 9.370 7.137 2.517 1.00 0.00 H new ATOM 0 HE3 LYS A 501 8.620 8.248 1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 501 10.791 9.037 2.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 501 9.586 10.107 2.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 501 10.313 9.030 3.712 1.00 0.00 H new ATOM 991 N LEU A 502 5.177 5.111 -0.430 1.00 0.00 N ATOM 992 CA LEU A 502 4.235 4.120 -0.848 1.00 0.00 C ATOM 993 C LEU A 502 4.925 2.966 -1.581 1.00 0.00 C ATOM 994 O LEU A 502 4.510 1.828 -1.422 1.00 0.00 O ATOM 995 CB LEU A 502 3.149 4.733 -1.720 1.00 0.00 C ATOM 996 CG LEU A 502 1.828 4.917 -0.963 1.00 0.00 C ATOM 997 CD1 LEU A 502 1.935 5.990 0.114 1.00 0.00 C ATOM 998 CD2 LEU A 502 0.755 5.356 -1.944 1.00 0.00 C ATOM 0 H LEU A 502 5.176 5.967 -0.984 1.00 0.00 H new ATOM 0 HA LEU A 502 3.767 3.715 0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 502 3.489 5.699 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 502 2.981 4.096 -2.589 1.00 0.00 H new ATOM 0 HG LEU A 502 1.583 3.965 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 502 0.978 6.088 0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 502 2.704 5.708 0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 502 2.200 6.942 -0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 502 -0.189 5.490 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 502 1.048 6.298 -2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 502 0.634 4.595 -2.715 1.00 0.00 H new ATOM 1010 N LEU A 503 5.999 3.218 -2.342 1.00 0.00 N ATOM 1011 CA LEU A 503 6.778 2.217 -3.040 1.00 0.00 C ATOM 1012 C LEU A 503 7.431 1.260 -2.042 1.00 0.00 C ATOM 1013 O LEU A 503 7.499 0.057 -2.298 1.00 0.00 O ATOM 1014 CB LEU A 503 7.832 2.942 -3.901 1.00 0.00 C ATOM 1015 CG LEU A 503 7.342 3.562 -5.221 1.00 0.00 C ATOM 1016 CD1 LEU A 503 5.843 3.509 -5.525 1.00 0.00 C ATOM 1017 CD2 LEU A 503 7.932 4.906 -5.631 1.00 0.00 C ATOM 0 H LEU A 503 6.352 4.164 -2.486 1.00 0.00 H new ATOM 0 HA LEU A 503 6.137 1.617 -3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 503 8.277 3.734 -3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 503 8.627 2.233 -4.133 1.00 0.00 H new ATOM 0 HG LEU A 503 7.800 2.819 -5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 503 5.650 3.984 -6.487 1.00 0.00 H new ATOM 0 HD12 LEU A 503 5.516 2.470 -5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 503 5.294 4.035 -4.744 1.00 0.00 H new ATOM 0 HD21 LEU A 503 7.496 5.221 -6.579 1.00 0.00 H new ATOM 0 HD22 LEU A 503 7.711 5.649 -4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 503 9.012 4.810 -5.742 1.00 0.00 H new ATOM 1029 N LYS A 504 7.835 1.787 -0.875 1.00 0.00 N ATOM 1030 CA LYS A 504 8.243 0.993 0.287 1.00 0.00 C ATOM 1031 C LYS A 504 7.111 0.053 0.696 1.00 0.00 C ATOM 1032 O LYS A 504 7.253 -1.165 0.664 1.00 0.00 O ATOM 1033 CB LYS A 504 8.655 1.916 1.455 1.00 0.00 C ATOM 1034 CG LYS A 504 8.975 1.240 2.803 1.00 0.00 C ATOM 1035 CD LYS A 504 8.470 2.084 3.992 1.00 0.00 C ATOM 1036 CE LYS A 504 6.974 1.838 4.284 1.00 0.00 C ATOM 1037 NZ LYS A 504 6.787 0.763 5.297 1.00 0.00 N ATOM 0 H LYS A 504 7.887 2.793 -0.713 1.00 0.00 H new ATOM 0 HA LYS A 504 9.111 0.389 0.021 1.00 0.00 H new ATOM 0 HB2 LYS A 504 9.532 2.484 1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 504 7.852 2.634 1.619 1.00 0.00 H new ATOM 0 HG2 LYS A 504 8.514 0.253 2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 504 10.051 1.093 2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 504 9.056 1.846 4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 504 8.628 3.141 3.779 1.00 0.00 H new ATOM 0 HE2 LYS A 504 6.515 2.760 4.641 1.00 0.00 H new ATOM 0 HE3 LYS A 504 6.462 1.564 3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 504 5.771 0.622 5.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 504 7.204 -0.122 4.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 504 7.255 1.037 6.184 1.00 0.00 H new ATOM 1051 N ALA A 505 5.978 0.644 1.073 1.00 0.00 N ATOM 1052 CA ALA A 505 4.788 -0.015 1.588 1.00 0.00 C ATOM 1053 C ALA A 505 4.346 -1.156 0.652 1.00 0.00 C ATOM 1054 O ALA A 505 4.212 -2.322 1.051 1.00 0.00 O ATOM 1055 CB ALA A 505 3.754 1.097 1.792 1.00 0.00 C ATOM 0 H ALA A 505 5.864 1.656 1.022 1.00 0.00 H new ATOM 0 HA ALA A 505 4.953 -0.519 2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 505 2.830 0.668 2.180 1.00 0.00 H new ATOM 0 HB2 ALA A 505 4.141 1.828 2.502 1.00 0.00 H new ATOM 0 HB3 ALA A 505 3.554 1.587 0.839 1.00 0.00 H new ATOM 1061 N PHE A 506 4.248 -0.804 -0.632 1.00 0.00 N ATOM 1062 CA PHE A 506 3.970 -1.687 -1.741 1.00 0.00 C ATOM 1063 C PHE A 506 4.968 -2.808 -1.791 1.00 0.00 C ATOM 1064 O PHE A 506 4.557 -3.937 -1.577 1.00 0.00 O ATOM 1065 CB PHE A 506 3.897 -0.948 -3.080 1.00 0.00 C ATOM 1066 CG PHE A 506 2.739 0.012 -3.228 1.00 0.00 C ATOM 1067 CD1 PHE A 506 1.681 0.031 -2.298 1.00 0.00 C ATOM 1068 CD2 PHE A 506 2.705 0.874 -4.335 1.00 0.00 C ATOM 1069 CE1 PHE A 506 0.658 0.980 -2.405 1.00 0.00 C ATOM 1070 CE2 PHE A 506 1.639 1.774 -4.483 1.00 0.00 C ATOM 1071 CZ PHE A 506 0.641 1.856 -3.498 1.00 0.00 C ATOM 0 H PHE A 506 4.369 0.164 -0.931 1.00 0.00 H new ATOM 0 HA PHE A 506 2.981 -2.112 -1.570 1.00 0.00 H new ATOM 0 HB2 PHE A 506 4.826 -0.395 -3.222 1.00 0.00 H new ATOM 0 HB3 PHE A 506 3.840 -1.686 -3.880 1.00 0.00 H new ATOM 0 HD1 PHE A 506 1.659 -0.692 -1.496 1.00 0.00 H new ATOM 0 HD2 PHE A 506 3.496 0.845 -5.070 1.00 0.00 H new ATOM 0 HE1 PHE A 506 -0.113 1.037 -1.650 1.00 0.00 H new ATOM 0 HE2 PHE A 506 1.586 2.406 -5.357 1.00 0.00 H new ATOM 0 HZ PHE A 506 -0.141 2.596 -3.583 1.00 0.00 H new ATOM 1081 N GLY A 507 6.252 -2.568 -2.048 1.00 0.00 N ATOM 1082 CA GLY A 507 7.101 -3.713 -2.278 1.00 0.00 C ATOM 1083 C GLY A 507 7.420 -4.586 -1.069 1.00 0.00 C ATOM 1084 O GLY A 507 7.898 -5.695 -1.278 1.00 0.00 O ATOM 0 H GLY A 507 6.697 -1.652 -2.099 1.00 0.00 H new ATOM 0 HA2 GLY A 507 6.629 -4.340 -3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 507 8.042 -3.359 -2.699 1.00 0.00 H new ATOM 1088 N ILE A 508 7.110 -4.161 0.164 1.00 0.00 N ATOM 1089 CA ILE A 508 7.094 -5.094 1.295 1.00 0.00 C ATOM 1090 C ILE A 508 5.913 -6.037 1.062 1.00 0.00 C ATOM 1091 O ILE A 508 6.124 -7.239 1.038 1.00 0.00 O ATOM 1092 CB ILE A 508 7.008 -4.409 2.679 1.00 0.00 C ATOM 1093 CG1 ILE A 508 8.394 -3.994 3.227 1.00 0.00 C ATOM 1094 CG2 ILE A 508 6.427 -5.374 3.739 1.00 0.00 C ATOM 1095 CD1 ILE A 508 9.057 -2.805 2.536 1.00 0.00 C ATOM 0 H ILE A 508 6.872 -3.198 0.399 1.00 0.00 H new ATOM 0 HA ILE A 508 8.042 -5.631 1.329 1.00 0.00 H new ATOM 0 HB ILE A 508 6.377 -3.534 2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 508 8.289 -3.761 4.287 1.00 0.00 H new ATOM 0 HG13 ILE A 508 9.063 -4.851 3.154 1.00 0.00 H new ATOM 0 HG21 ILE A 508 6.377 -4.868 4.703 1.00 0.00 H new ATOM 0 HG22 ILE A 508 5.426 -5.684 3.439 1.00 0.00 H new ATOM 0 HG23 ILE A 508 7.068 -6.251 3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 508 10.022 -2.605 3.002 1.00 0.00 H new ATOM 0 HD12 ILE A 508 9.205 -3.034 1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 508 8.419 -1.927 2.631 1.00 0.00 H new ATOM 1107 N VAL A 509 4.689 -5.544 0.829 1.00 0.00 N ATOM 1108 CA VAL A 509 3.547 -6.440 0.607 1.00 0.00 C ATOM 1109 C VAL A 509 3.705 -7.217 -0.702 1.00 0.00 C ATOM 1110 O VAL A 509 3.294 -8.367 -0.777 1.00 0.00 O ATOM 1111 CB VAL A 509 2.204 -5.717 0.741 1.00 0.00 C ATOM 1112 CG1 VAL A 509 1.938 -4.694 -0.331 1.00 0.00 C ATOM 1113 CG2 VAL A 509 1.024 -6.686 0.756 1.00 0.00 C ATOM 0 H VAL A 509 4.467 -4.549 0.790 1.00 0.00 H new ATOM 0 HA VAL A 509 3.542 -7.183 1.404 1.00 0.00 H new ATOM 0 HB VAL A 509 2.292 -5.200 1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 509 0.966 -4.231 -0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 509 2.714 -3.929 -0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 509 1.941 -5.180 -1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 509 0.094 -6.126 0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 509 1.009 -7.256 -0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 509 1.125 -7.369 1.599 1.00 0.00 H new ATOM 1123 N ILE A 510 4.388 -6.665 -1.708 1.00 0.00 N ATOM 1124 CA ILE A 510 4.814 -7.404 -2.906 1.00 0.00 C ATOM 1125 C ILE A 510 5.682 -8.607 -2.562 1.00 0.00 C ATOM 1126 O ILE A 510 5.440 -9.694 -3.073 1.00 0.00 O ATOM 1127 CB ILE A 510 5.443 -6.523 -3.977 1.00 0.00 C ATOM 1128 CG1 ILE A 510 4.305 -5.611 -4.493 1.00 0.00 C ATOM 1129 CG2 ILE A 510 6.080 -7.324 -5.131 1.00 0.00 C ATOM 1130 CD1 ILE A 510 4.705 -4.645 -5.601 1.00 0.00 C ATOM 0 H ILE A 510 4.665 -5.683 -1.717 1.00 0.00 H new ATOM 0 HA ILE A 510 3.897 -7.789 -3.352 1.00 0.00 H new ATOM 0 HB ILE A 510 6.269 -5.952 -3.552 1.00 0.00 H new ATOM 0 HG12 ILE A 510 3.492 -6.240 -4.856 1.00 0.00 H new ATOM 0 HG13 ILE A 510 3.913 -5.036 -3.654 1.00 0.00 H new ATOM 0 HG21 ILE A 510 6.509 -6.635 -5.858 1.00 0.00 H new ATOM 0 HG22 ILE A 510 6.864 -7.970 -4.736 1.00 0.00 H new ATOM 0 HG23 ILE A 510 5.317 -7.934 -5.615 1.00 0.00 H new ATOM 0 HD11 ILE A 510 3.840 -4.050 -5.895 1.00 0.00 H new ATOM 0 HD12 ILE A 510 5.494 -3.985 -5.241 1.00 0.00 H new ATOM 0 HD13 ILE A 510 5.067 -5.208 -6.461 1.00 0.00 H new ATOM 1142 N ASP A 511 6.610 -8.473 -1.619 1.00 0.00 N ATOM 1143 CA ASP A 511 7.557 -9.510 -1.162 1.00 0.00 C ATOM 1144 C ASP A 511 6.975 -10.602 -0.310 1.00 0.00 C ATOM 1145 O ASP A 511 7.650 -11.390 0.347 1.00 0.00 O ATOM 1146 CB ASP A 511 8.660 -8.822 -0.381 1.00 0.00 C ATOM 1147 CG ASP A 511 9.995 -9.583 -0.324 1.00 0.00 C ATOM 1148 OD1 ASP A 511 10.413 -10.151 -1.362 1.00 0.00 O ATOM 1149 OD2 ASP A 511 10.656 -9.578 0.743 1.00 0.00 O ATOM 0 H ASP A 511 6.736 -7.593 -1.120 1.00 0.00 H new ATOM 0 HA ASP A 511 7.909 -10.011 -2.064 1.00 0.00 H new ATOM 0 HB2 ASP A 511 8.838 -7.841 -0.822 1.00 0.00 H new ATOM 0 HB3 ASP A 511 8.312 -8.655 0.638 1.00 0.00 H new ATOM 1154 N TYR A 512 5.672 -10.606 -0.384 1.00 0.00 N ATOM 1155 CA TYR A 512 4.768 -11.270 0.475 1.00 0.00 C ATOM 1156 C TYR A 512 3.566 -11.750 -0.334 1.00 0.00 C ATOM 1157 O TYR A 512 2.997 -12.784 -0.033 1.00 0.00 O ATOM 1158 CB TYR A 512 4.336 -10.227 1.496 1.00 0.00 C ATOM 1159 CG TYR A 512 4.898 -10.141 2.899 1.00 0.00 C ATOM 1160 CD1 TYR A 512 6.127 -9.484 3.088 1.00 0.00 C ATOM 1161 CD2 TYR A 512 4.122 -10.488 4.018 1.00 0.00 C ATOM 1162 CE1 TYR A 512 6.610 -9.192 4.373 1.00 0.00 C ATOM 1163 CE2 TYR A 512 4.611 -10.240 5.317 1.00 0.00 C ATOM 1164 CZ TYR A 512 5.855 -9.591 5.500 1.00 0.00 C ATOM 1165 OH TYR A 512 6.293 -9.311 6.759 1.00 0.00 O ATOM 0 H TYR A 512 5.186 -10.093 -1.120 1.00 0.00 H new ATOM 0 HA TYR A 512 5.214 -12.139 0.958 1.00 0.00 H new ATOM 0 HB2 TYR A 512 4.515 -9.256 1.035 1.00 0.00 H new ATOM 0 HB3 TYR A 512 3.257 -10.334 1.605 1.00 0.00 H new ATOM 0 HD1 TYR A 512 6.712 -9.198 2.226 1.00 0.00 H new ATOM 0 HD2 TYR A 512 3.152 -10.944 3.883 1.00 0.00 H new ATOM 0 HE1 TYR A 512 7.547 -8.669 4.499 1.00 0.00 H new ATOM 0 HE2 TYR A 512 4.033 -10.547 6.176 1.00 0.00 H new ATOM 0 HH TYR A 512 5.651 -9.657 7.413 1.00 0.00 H new ATOM 1175 N LYS A 513 3.184 -11.045 -1.402 1.00 0.00 N ATOM 1176 CA LYS A 513 2.060 -11.392 -2.266 1.00 0.00 C ATOM 1177 C LYS A 513 2.566 -12.155 -3.474 1.00 0.00 C ATOM 1178 O LYS A 513 2.047 -13.213 -3.814 1.00 0.00 O ATOM 1179 CB LYS A 513 1.368 -10.064 -2.571 1.00 0.00 C ATOM 1180 CG LYS A 513 0.373 -10.016 -3.721 1.00 0.00 C ATOM 1181 CD LYS A 513 1.062 -9.948 -5.085 1.00 0.00 C ATOM 1182 CE LYS A 513 0.041 -9.653 -6.183 1.00 0.00 C ATOM 1183 NZ LYS A 513 -0.631 -10.882 -6.680 1.00 0.00 N ATOM 0 H LYS A 513 3.664 -10.194 -1.695 1.00 0.00 H new ATOM 0 HA LYS A 513 1.332 -12.066 -1.814 1.00 0.00 H new ATOM 0 HB2 LYS A 513 0.848 -9.745 -1.668 1.00 0.00 H new ATOM 0 HB3 LYS A 513 2.143 -9.324 -2.771 1.00 0.00 H new ATOM 0 HG2 LYS A 513 -0.265 -10.899 -3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 513 -0.276 -9.148 -3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 513 1.828 -9.173 -5.074 1.00 0.00 H new ATOM 0 HD3 LYS A 513 1.566 -10.892 -5.292 1.00 0.00 H new ATOM 0 HE2 LYS A 513 -0.710 -8.962 -5.800 1.00 0.00 H new ATOM 0 HE3 LYS A 513 0.540 -9.154 -7.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 -1.072 -10.688 -7.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 0.070 -11.643 -6.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 -1.363 -11.176 -6.002 1.00 0.00 H new ATOM 1197 N GLU A 514 3.643 -11.649 -4.080 1.00 0.00 N ATOM 1198 CA GLU A 514 4.432 -12.359 -5.083 1.00 0.00 C ATOM 1199 C GLU A 514 5.126 -13.593 -4.459 1.00 0.00 C ATOM 1200 O GLU A 514 5.699 -14.417 -5.175 1.00 0.00 O ATOM 1201 CB GLU A 514 5.456 -11.354 -5.642 1.00 0.00 C ATOM 1202 CG GLU A 514 5.934 -11.716 -7.050 1.00 0.00 C ATOM 1203 CD GLU A 514 7.026 -10.747 -7.542 1.00 0.00 C ATOM 1204 OE1 GLU A 514 8.217 -10.944 -7.199 1.00 0.00 O ATOM 1205 OE2 GLU A 514 6.706 -9.798 -8.299 1.00 0.00 O ATOM 0 H GLU A 514 3.996 -10.713 -3.881 1.00 0.00 H new ATOM 0 HA GLU A 514 3.799 -12.736 -5.886 1.00 0.00 H new ATOM 0 HB2 GLU A 514 5.010 -10.359 -5.659 1.00 0.00 H new ATOM 0 HB3 GLU A 514 6.315 -11.307 -4.973 1.00 0.00 H new ATOM 0 HG2 GLU A 514 6.322 -12.735 -7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 514 5.090 -11.694 -7.739 1.00 0.00 H new ATOM 1212 N ARG A 515 5.070 -13.726 -3.118 1.00 0.00 N ATOM 1213 CA ARG A 515 5.701 -14.827 -2.349 1.00 0.00 C ATOM 1214 C ARG A 515 4.695 -15.815 -1.799 1.00 0.00 C ATOM 1215 O ARG A 515 4.853 -17.008 -2.044 1.00 0.00 O ATOM 1216 CB ARG A 515 6.601 -14.321 -1.216 1.00 0.00 C ATOM 1217 CG ARG A 515 8.009 -13.941 -1.681 1.00 0.00 C ATOM 1218 CD ARG A 515 7.957 -12.865 -2.762 1.00 0.00 C ATOM 1219 NE ARG A 515 9.242 -12.171 -2.880 1.00 0.00 N ATOM 1220 CZ ARG A 515 10.172 -12.254 -3.809 1.00 0.00 C ATOM 1221 NH1 ARG A 515 10.086 -13.049 -4.837 1.00 0.00 N ATOM 1222 NH2 ARG A 515 11.226 -11.508 -3.679 1.00 0.00 N ATOM 0 H ARG A 515 4.576 -13.060 -2.524 1.00 0.00 H new ATOM 0 HA ARG A 515 6.326 -15.348 -3.075 1.00 0.00 H new ATOM 0 HB2 ARG A 515 6.134 -13.453 -0.751 1.00 0.00 H new ATOM 0 HB3 ARG A 515 6.675 -15.092 -0.449 1.00 0.00 H new ATOM 0 HG2 ARG A 515 8.591 -13.581 -0.833 1.00 0.00 H new ATOM 0 HG3 ARG A 515 8.519 -14.824 -2.066 1.00 0.00 H new ATOM 0 HD2 ARG A 515 7.696 -13.319 -3.718 1.00 0.00 H new ATOM 0 HD3 ARG A 515 7.173 -12.146 -2.526 1.00 0.00 H new ATOM 0 HE ARG A 515 9.449 -11.520 -2.122 1.00 0.00 H new ATOM 0 HH11 ARG A 515 9.268 -13.647 -4.952 1.00 0.00 H new ATOM 0 HH12 ARG A 515 10.837 -13.073 -5.527 1.00 0.00 H new ATOM 0 HH21 ARG A 515 11.313 -10.884 -2.877 1.00 0.00 H new ATOM 0 HH22 ARG A 515 11.967 -11.546 -4.379 1.00 0.00 H new ATOM 1236 N ASP A 516 3.714 -15.295 -1.055 1.00 0.00 N ATOM 1237 CA ASP A 516 2.514 -15.953 -0.498 1.00 0.00 C ATOM 1238 C ASP A 516 2.617 -16.082 1.037 1.00 0.00 C ATOM 1239 O ASP A 516 2.612 -17.159 1.639 1.00 0.00 O ATOM 1240 CB ASP A 516 2.144 -17.258 -1.215 1.00 0.00 C ATOM 1241 CG ASP A 516 0.746 -17.798 -0.880 1.00 0.00 C ATOM 1242 OD1 ASP A 516 -0.025 -17.161 -0.128 1.00 0.00 O ATOM 1243 OD2 ASP A 516 0.361 -18.841 -1.459 1.00 0.00 O ATOM 0 H ASP A 516 3.736 -14.308 -0.799 1.00 0.00 H new ATOM 0 HA ASP A 516 1.664 -15.301 -0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 516 2.208 -17.097 -2.291 1.00 0.00 H new ATOM 0 HB3 ASP A 516 2.883 -18.018 -0.962 1.00 0.00 H new ATOM 1248 N LEU A 517 2.779 -14.908 1.640 1.00 0.00 N ATOM 1249 CA LEU A 517 3.040 -14.553 3.038 1.00 0.00 C ATOM 1250 C LEU A 517 1.815 -13.869 3.677 1.00 0.00 C ATOM 1251 O LEU A 517 1.661 -13.877 4.899 1.00 0.00 O ATOM 1252 CB LEU A 517 4.254 -13.604 3.004 1.00 0.00 C ATOM 1253 CG LEU A 517 5.551 -14.218 2.440 1.00 0.00 C ATOM 1254 CD1 LEU A 517 6.775 -13.397 2.850 1.00 0.00 C ATOM 1255 CD2 LEU A 517 5.844 -15.656 2.872 1.00 0.00 C ATOM 0 H LEU A 517 2.722 -14.059 1.078 1.00 0.00 H new ATOM 0 HA LEU A 517 3.240 -15.436 3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 517 3.995 -12.730 2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 517 4.448 -13.252 4.017 1.00 0.00 H new ATOM 0 HG LEU A 517 5.374 -14.212 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 517 7.675 -13.854 2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 517 6.676 -12.381 2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 517 6.847 -13.370 3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 517 6.778 -15.989 2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 517 5.932 -15.699 3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 517 5.031 -16.306 2.548 1.00 0.00 H new ATOM 1267 N ILE A 518 0.937 -13.301 2.838 1.00 0.00 N ATOM 1268 CA ILE A 518 -0.404 -12.811 3.190 1.00 0.00 C ATOM 1269 C ILE A 518 -1.300 -13.964 3.713 1.00 0.00 C ATOM 1270 O ILE A 518 -0.967 -15.147 3.618 1.00 0.00 O ATOM 1271 CB ILE A 518 -1.083 -12.142 1.964 1.00 0.00 C ATOM 1272 CG1 ILE A 518 -0.181 -11.423 0.945 1.00 0.00 C ATOM 1273 CG2 ILE A 518 -2.172 -11.145 2.385 1.00 0.00 C ATOM 1274 CD1 ILE A 518 0.602 -10.231 1.495 1.00 0.00 C ATOM 0 H ILE A 518 1.152 -13.164 1.850 1.00 0.00 H new ATOM 0 HA ILE A 518 -0.286 -12.071 3.982 1.00 0.00 H new ATOM 0 HB ILE A 518 -1.484 -13.017 1.452 1.00 0.00 H new ATOM 0 HG12 ILE A 518 0.527 -12.145 0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 518 -0.799 -11.079 0.116 1.00 0.00 H new ATOM 0 HG21 ILE A 518 -2.621 -10.700 1.497 1.00 0.00 H new ATOM 0 HG22 ILE A 518 -2.940 -11.665 2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 518 -1.730 -10.361 2.999 1.00 0.00 H new ATOM 0 HD11 ILE A 518 1.206 -9.794 0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 518 -0.094 -9.483 1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 518 1.253 -10.565 2.303 1.00 0.00 H new ATOM 1286 N ASP A 519 -2.489 -13.629 4.214 1.00 0.00 N ATOM 1287 CA ASP A 519 -3.455 -14.532 4.855 1.00 0.00 C ATOM 1288 C ASP A 519 -4.511 -15.131 3.912 1.00 0.00 C ATOM 1289 O ASP A 519 -5.430 -15.812 4.372 1.00 0.00 O ATOM 1290 CB ASP A 519 -4.100 -13.799 6.043 1.00 0.00 C ATOM 1291 CG ASP A 519 -3.063 -13.392 7.101 1.00 0.00 C ATOM 1292 OD1 ASP A 519 -2.775 -14.199 8.016 1.00 0.00 O ATOM 1293 OD2 ASP A 519 -2.543 -12.255 7.028 1.00 0.00 O ATOM 0 H ASP A 519 -2.826 -12.667 4.183 1.00 0.00 H new ATOM 0 HA ASP A 519 -2.897 -15.403 5.199 1.00 0.00 H new ATOM 0 HB2 ASP A 519 -4.618 -12.910 5.682 1.00 0.00 H new ATOM 0 HB3 ASP A 519 -4.852 -14.442 6.501 1.00 0.00 H new ATOM 1298 N ARG A 520 -4.411 -14.878 2.596 1.00 0.00 N ATOM 1299 CA ARG A 520 -5.301 -15.351 1.514 1.00 0.00 C ATOM 1300 C ARG A 520 -6.780 -14.955 1.627 1.00 0.00 C ATOM 1301 O ARG A 520 -7.555 -15.169 0.698 1.00 0.00 O ATOM 1302 CB ARG A 520 -5.046 -16.846 1.270 1.00 0.00 C ATOM 1303 CG ARG A 520 -3.699 -17.136 0.608 1.00 0.00 C ATOM 1304 CD ARG A 520 -3.569 -16.436 -0.742 1.00 0.00 C ATOM 1305 NE ARG A 520 -2.491 -17.047 -1.516 1.00 0.00 N ATOM 1306 CZ ARG A 520 -2.375 -17.133 -2.827 1.00 0.00 C ATOM 1307 NH1 ARG A 520 -3.211 -16.552 -3.642 1.00 0.00 N ATOM 1308 NH2 ARG A 520 -1.407 -17.824 -3.351 1.00 0.00 N ATOM 0 H ARG A 520 -3.655 -14.298 2.232 1.00 0.00 H new ATOM 0 HA ARG A 520 -5.029 -14.800 0.614 1.00 0.00 H new ATOM 0 HB2 ARG A 520 -5.095 -17.375 2.222 1.00 0.00 H new ATOM 0 HB3 ARG A 520 -5.843 -17.245 0.643 1.00 0.00 H new ATOM 0 HG2 ARG A 520 -2.893 -16.810 1.266 1.00 0.00 H new ATOM 0 HG3 ARG A 520 -3.585 -18.211 0.472 1.00 0.00 H new ATOM 0 HD2 ARG A 520 -4.508 -16.507 -1.291 1.00 0.00 H new ATOM 0 HD3 ARG A 520 -3.366 -15.375 -0.594 1.00 0.00 H new ATOM 0 HE ARG A 520 -1.732 -17.459 -0.974 1.00 0.00 H new ATOM 0 HH11 ARG A 520 -3.989 -16.007 -3.271 1.00 0.00 H new ATOM 0 HH12 ARG A 520 -3.087 -16.643 -4.650 1.00 0.00 H new ATOM 0 HH21 ARG A 520 -0.736 -18.300 -2.748 1.00 0.00 H new ATOM 0 HH22 ARG A 520 -1.318 -17.890 -4.365 1.00 0.00 H new ATOM 1322 N SER A 521 -7.121 -14.243 2.697 1.00 0.00 N ATOM 1323 CA SER A 521 -8.378 -13.518 2.917 1.00 0.00 C ATOM 1324 C SER A 521 -8.220 -12.018 2.613 1.00 0.00 C ATOM 1325 O SER A 521 -9.179 -11.250 2.692 1.00 0.00 O ATOM 1326 CB SER A 521 -8.862 -13.706 4.362 1.00 0.00 C ATOM 1327 OG SER A 521 -9.060 -15.081 4.660 1.00 0.00 O ATOM 0 H SER A 521 -6.486 -14.148 3.490 1.00 0.00 H new ATOM 0 HA SER A 521 -9.120 -13.931 2.233 1.00 0.00 H new ATOM 0 HB2 SER A 521 -8.132 -13.283 5.051 1.00 0.00 H new ATOM 0 HB3 SER A 521 -9.794 -13.161 4.511 1.00 0.00 H new ATOM 0 HG SER A 521 -9.366 -15.174 5.586 1.00 0.00 H new ATOM 1333 N ALA A 522 -7.001 -11.591 2.249 1.00 0.00 N ATOM 1334 CA ALA A 522 -6.697 -10.226 1.806 1.00 0.00 C ATOM 1335 C ALA A 522 -7.078 -10.029 0.337 1.00 0.00 C ATOM 1336 O ALA A 522 -7.378 -8.932 -0.116 1.00 0.00 O ATOM 1337 CB ALA A 522 -5.198 -10.001 1.954 1.00 0.00 C ATOM 0 H ALA A 522 -6.183 -12.200 2.255 1.00 0.00 H new ATOM 0 HA ALA A 522 -7.267 -9.520 2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 522 -4.948 -8.991 1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 522 -4.912 -10.128 2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 522 -4.659 -10.723 1.340 1.00 0.00 H new ATOM 1343 N TYR A 523 -7.052 -11.121 -0.405 1.00 0.00 N ATOM 1344 CA TYR A 523 -7.369 -11.248 -1.809 1.00 0.00 C ATOM 1345 C TYR A 523 -8.877 -11.052 -2.099 1.00 0.00 C ATOM 1346 O TYR A 523 -9.676 -10.889 -1.144 1.00 0.00 O ATOM 1347 CB TYR A 523 -6.856 -12.655 -2.154 1.00 0.00 C ATOM 1348 CG TYR A 523 -5.347 -12.779 -2.311 1.00 0.00 C ATOM 1349 CD1 TYR A 523 -4.523 -12.870 -1.173 1.00 0.00 C ATOM 1350 CD2 TYR A 523 -4.765 -12.841 -3.594 1.00 0.00 C ATOM 1351 CE1 TYR A 523 -3.132 -13.023 -1.312 1.00 0.00 C ATOM 1352 CE2 TYR A 523 -3.372 -13.006 -3.737 1.00 0.00 C ATOM 1353 CZ TYR A 523 -2.549 -13.096 -2.592 1.00 0.00 C ATOM 1354 OH TYR A 523 -1.207 -13.290 -2.705 1.00 0.00 O ATOM 1355 OXT TYR A 523 -9.254 -11.037 -3.294 1.00 0.00 O ATOM 0 H TYR A 523 -6.784 -12.019 -0.001 1.00 0.00 H new ATOM 0 HA TYR A 523 -6.906 -10.477 -2.425 1.00 0.00 H new ATOM 0 HB2 TYR A 523 -7.181 -13.343 -1.374 1.00 0.00 H new ATOM 0 HB3 TYR A 523 -7.329 -12.978 -3.081 1.00 0.00 H new ATOM 0 HD1 TYR A 523 -4.962 -12.822 -0.187 1.00 0.00 H new ATOM 0 HD2 TYR A 523 -5.389 -12.762 -4.472 1.00 0.00 H new ATOM 0 HE1 TYR A 523 -2.508 -13.085 -0.433 1.00 0.00 H new ATOM 0 HE2 TYR A 523 -2.934 -13.064 -4.722 1.00 0.00 H new ATOM 0 HH TYR A 523 -0.959 -13.318 -3.653 1.00 0.00 H new TER 1365 TYR A 523