USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 301 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 NoAdj-H: A 523 HIS HE2 : A 523 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 527 HIS HE2 : A 527 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 494 SER OG : rot 180:sc= 0 USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 497 SER OG : rot 180:sc= 0 USER MOD Single : A 498 SER OG : rot 180:sc= -0.262 USER MOD Single : A 500 THR OG1 : rot 30:sc= 0.845 USER MOD Single : A 503 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00665) USER MOD Single : A 512 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 517 HIS : no HD1:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 521 ASN : amide:sc= -0.0914 K(o=-0.091,f=-1.5!) USER MOD Single : A 522 GLN : amide:sc= -0.0637 K(o=-0.064,f=-2.2!) USER MOD Single : A 528 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 531 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 533 SER OG : rot 180:sc=-0.00729 USER MOD Single : A 536 SER OG : rot 180:sc= 0 USER MOD Single : A 537 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 493 3.504 -8.239 -24.211 1.00 0.00 N ATOM 2 CA GLY A 493 2.974 -9.432 -23.579 1.00 0.00 C ATOM 3 C GLY A 493 2.934 -9.319 -22.068 1.00 0.00 C ATOM 4 O GLY A 493 3.764 -9.905 -21.373 1.00 0.00 O ATOM 0 HA2 GLY A 493 1.968 -9.621 -23.953 1.00 0.00 H new ATOM 0 HA3 GLY A 493 3.585 -10.290 -23.860 1.00 0.00 H new ATOM 8 N SER A 494 1.968 -8.562 -21.557 1.00 0.00 N ATOM 9 CA SER A 494 1.828 -8.369 -20.119 1.00 0.00 C ATOM 10 C SER A 494 0.827 -9.361 -19.533 1.00 0.00 C ATOM 11 O SER A 494 -0.208 -9.645 -20.136 1.00 0.00 O ATOM 12 CB SER A 494 1.380 -6.938 -19.816 1.00 0.00 C ATOM 13 OG SER A 494 1.504 -6.646 -18.435 1.00 0.00 O ATOM 0 H SER A 494 1.271 -8.072 -22.118 1.00 0.00 H new ATOM 0 HA SER A 494 2.800 -8.543 -19.658 1.00 0.00 H new ATOM 0 HB2 SER A 494 1.980 -6.236 -20.395 1.00 0.00 H new ATOM 0 HB3 SER A 494 0.344 -6.804 -20.128 1.00 0.00 H new ATOM 0 HG SER A 494 1.213 -5.725 -18.268 1.00 0.00 H new ATOM 19 N SER A 495 1.145 -9.885 -18.353 1.00 0.00 N ATOM 20 CA SER A 495 0.277 -10.849 -17.686 1.00 0.00 C ATOM 21 C SER A 495 -0.599 -10.160 -16.644 1.00 0.00 C ATOM 22 O SER A 495 -0.422 -8.979 -16.351 1.00 0.00 O ATOM 23 CB SER A 495 1.112 -11.946 -17.023 1.00 0.00 C ATOM 24 OG SER A 495 2.276 -12.229 -17.780 1.00 0.00 O ATOM 0 H SER A 495 1.997 -9.658 -17.840 1.00 0.00 H new ATOM 0 HA SER A 495 -0.370 -11.300 -18.438 1.00 0.00 H new ATOM 0 HB2 SER A 495 1.395 -11.634 -16.018 1.00 0.00 H new ATOM 0 HB3 SER A 495 0.513 -12.851 -16.919 1.00 0.00 H new ATOM 0 HG SER A 495 2.793 -12.932 -17.334 1.00 0.00 H new ATOM 30 N GLY A 496 -1.546 -10.910 -16.088 1.00 0.00 N ATOM 31 CA GLY A 496 -2.436 -10.356 -15.084 1.00 0.00 C ATOM 32 C GLY A 496 -1.705 -9.955 -13.818 1.00 0.00 C ATOM 33 O GLY A 496 -1.597 -8.769 -13.505 1.00 0.00 O ATOM 0 H GLY A 496 -1.713 -11.890 -16.315 1.00 0.00 H new ATOM 0 HA2 GLY A 496 -2.946 -9.486 -15.496 1.00 0.00 H new ATOM 0 HA3 GLY A 496 -3.204 -11.090 -14.839 1.00 0.00 H new ATOM 37 N SER A 497 -1.203 -10.945 -13.088 1.00 0.00 N ATOM 38 CA SER A 497 -0.483 -10.689 -11.846 1.00 0.00 C ATOM 39 C SER A 497 0.734 -11.601 -11.726 1.00 0.00 C ATOM 40 O SER A 497 0.787 -12.668 -12.337 1.00 0.00 O ATOM 41 CB SER A 497 -1.408 -10.894 -10.644 1.00 0.00 C ATOM 42 OG SER A 497 -0.875 -10.285 -9.481 1.00 0.00 O ATOM 0 H SER A 497 -1.281 -11.932 -13.335 1.00 0.00 H new ATOM 0 HA SER A 497 -0.140 -9.654 -11.860 1.00 0.00 H new ATOM 0 HB2 SER A 497 -2.390 -10.474 -10.861 1.00 0.00 H new ATOM 0 HB3 SER A 497 -1.550 -11.960 -10.468 1.00 0.00 H new ATOM 0 HG SER A 497 -1.485 -10.429 -8.728 1.00 0.00 H new ATOM 48 N SER A 498 1.711 -11.172 -10.934 1.00 0.00 N ATOM 49 CA SER A 498 2.931 -11.946 -10.736 1.00 0.00 C ATOM 50 C SER A 498 3.700 -11.446 -9.517 1.00 0.00 C ATOM 51 O SER A 498 3.395 -10.389 -8.967 1.00 0.00 O ATOM 52 CB SER A 498 3.817 -11.868 -11.980 1.00 0.00 C ATOM 53 OG SER A 498 5.008 -12.617 -11.806 1.00 0.00 O ATOM 0 H SER A 498 1.682 -10.292 -10.419 1.00 0.00 H new ATOM 0 HA SER A 498 2.649 -12.985 -10.564 1.00 0.00 H new ATOM 0 HB2 SER A 498 3.270 -12.245 -12.844 1.00 0.00 H new ATOM 0 HB3 SER A 498 4.065 -10.827 -12.189 1.00 0.00 H new ATOM 0 HG SER A 498 5.556 -12.552 -12.616 1.00 0.00 H new ATOM 59 N GLY A 499 4.701 -12.216 -9.100 1.00 0.00 N ATOM 60 CA GLY A 499 5.500 -11.835 -7.949 1.00 0.00 C ATOM 61 C GLY A 499 5.777 -13.004 -7.024 1.00 0.00 C ATOM 62 O GLY A 499 4.869 -13.514 -6.366 1.00 0.00 O ATOM 0 H GLY A 499 4.973 -13.096 -9.538 1.00 0.00 H new ATOM 0 HA2 GLY A 499 6.446 -11.413 -8.290 1.00 0.00 H new ATOM 0 HA3 GLY A 499 4.983 -11.051 -7.395 1.00 0.00 H new ATOM 66 N THR A 500 7.034 -13.432 -6.974 1.00 0.00 N ATOM 67 CA THR A 500 7.428 -14.550 -6.125 1.00 0.00 C ATOM 68 C THR A 500 8.054 -14.059 -4.825 1.00 0.00 C ATOM 69 O THR A 500 9.167 -13.534 -4.821 1.00 0.00 O ATOM 70 CB THR A 500 8.425 -15.477 -6.844 1.00 0.00 C ATOM 71 OG1 THR A 500 9.610 -14.750 -7.188 1.00 0.00 O ATOM 72 CG2 THR A 500 7.804 -16.069 -8.101 1.00 0.00 C ATOM 0 H THR A 500 7.797 -13.021 -7.512 1.00 0.00 H new ATOM 0 HA THR A 500 6.521 -15.110 -5.899 1.00 0.00 H new ATOM 0 HB THR A 500 8.683 -16.291 -6.167 1.00 0.00 H new ATOM 0 HG1 THR A 500 9.755 -14.034 -6.535 1.00 0.00 H new ATOM 0 HG21 THR A 500 8.527 -16.720 -8.592 1.00 0.00 H new ATOM 0 HG22 THR A 500 6.919 -16.646 -7.833 1.00 0.00 H new ATOM 0 HG23 THR A 500 7.520 -15.265 -8.780 1.00 0.00 H new ATOM 80 N GLY A 501 7.332 -14.233 -3.722 1.00 0.00 N ATOM 81 CA GLY A 501 7.835 -13.803 -2.431 1.00 0.00 C ATOM 82 C GLY A 501 6.791 -13.910 -1.337 1.00 0.00 C ATOM 83 O GLY A 501 5.864 -14.714 -1.432 1.00 0.00 O ATOM 0 H GLY A 501 6.408 -14.664 -3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 501 8.701 -14.407 -2.162 1.00 0.00 H new ATOM 0 HA3 GLY A 501 8.177 -12.770 -2.503 1.00 0.00 H new ATOM 87 N GLU A 502 6.941 -13.097 -0.296 1.00 0.00 N ATOM 88 CA GLU A 502 6.004 -13.107 0.821 1.00 0.00 C ATOM 89 C GLU A 502 5.238 -11.789 0.901 1.00 0.00 C ATOM 90 O GLU A 502 5.619 -10.798 0.277 1.00 0.00 O ATOM 91 CB GLU A 502 6.746 -13.359 2.136 1.00 0.00 C ATOM 92 CG GLU A 502 7.555 -14.644 2.142 1.00 0.00 C ATOM 93 CD GLU A 502 6.688 -15.880 2.282 1.00 0.00 C ATOM 94 OE1 GLU A 502 5.812 -15.891 3.173 1.00 0.00 O ATOM 95 OE2 GLU A 502 6.884 -16.835 1.503 1.00 0.00 O ATOM 0 H GLU A 502 7.702 -12.424 -0.203 1.00 0.00 H new ATOM 0 HA GLU A 502 5.289 -13.913 0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 502 7.412 -12.519 2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 502 6.023 -13.391 2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 502 8.130 -14.711 1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 502 8.272 -14.613 2.962 1.00 0.00 H new ATOM 102 N LYS A 503 4.157 -11.786 1.672 1.00 0.00 N ATOM 103 CA LYS A 503 3.336 -10.592 1.835 1.00 0.00 C ATOM 104 C LYS A 503 3.170 -10.243 3.311 1.00 0.00 C ATOM 105 O LYS A 503 2.115 -10.459 3.909 1.00 0.00 O ATOM 106 CB LYS A 503 1.963 -10.799 1.191 1.00 0.00 C ATOM 107 CG LYS A 503 1.932 -10.472 -0.292 1.00 0.00 C ATOM 108 CD LYS A 503 0.775 -11.166 -0.991 1.00 0.00 C ATOM 109 CE LYS A 503 1.099 -11.459 -2.448 1.00 0.00 C ATOM 110 NZ LYS A 503 2.005 -12.632 -2.590 1.00 0.00 N ATOM 0 H LYS A 503 3.828 -12.598 2.195 1.00 0.00 H new ATOM 0 HA LYS A 503 3.842 -9.764 1.338 1.00 0.00 H new ATOM 0 HB2 LYS A 503 1.657 -11.836 1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 503 1.231 -10.177 1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 503 1.846 -9.394 -0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 503 2.872 -10.776 -0.753 1.00 0.00 H new ATOM 0 HD2 LYS A 503 0.542 -12.097 -0.475 1.00 0.00 H new ATOM 0 HD3 LYS A 503 -0.115 -10.539 -0.934 1.00 0.00 H new ATOM 0 HE2 LYS A 503 0.175 -11.646 -2.995 1.00 0.00 H new ATOM 0 HE3 LYS A 503 1.565 -10.583 -2.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 503 2.556 -12.541 -3.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 503 2.652 -12.671 -1.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 503 1.440 -13.505 -2.626 1.00 0.00 H new ATOM 124 N PRO A 504 4.233 -9.691 3.913 1.00 0.00 N ATOM 125 CA PRO A 504 4.228 -9.299 5.325 1.00 0.00 C ATOM 126 C PRO A 504 3.330 -8.095 5.590 1.00 0.00 C ATOM 127 O PRO A 504 2.990 -7.802 6.736 1.00 0.00 O ATOM 128 CB PRO A 504 5.692 -8.944 5.600 1.00 0.00 C ATOM 129 CG PRO A 504 6.244 -8.558 4.271 1.00 0.00 C ATOM 130 CD PRO A 504 5.522 -9.405 3.261 1.00 0.00 C ATOM 0 HA PRO A 504 3.839 -10.090 5.966 1.00 0.00 H new ATOM 0 HB2 PRO A 504 5.773 -8.126 6.315 1.00 0.00 H new ATOM 0 HB3 PRO A 504 6.232 -9.791 6.022 1.00 0.00 H new ATOM 0 HG2 PRO A 504 6.085 -7.497 4.076 1.00 0.00 H new ATOM 0 HG3 PRO A 504 7.319 -8.732 4.229 1.00 0.00 H new ATOM 0 HD2 PRO A 504 5.386 -8.877 2.317 1.00 0.00 H new ATOM 0 HD3 PRO A 504 6.071 -10.320 3.038 1.00 0.00 H new ATOM 138 N PHE A 505 2.948 -7.402 4.522 1.00 0.00 N ATOM 139 CA PHE A 505 2.089 -6.229 4.640 1.00 0.00 C ATOM 140 C PHE A 505 0.655 -6.563 4.239 1.00 0.00 C ATOM 141 O PHE A 505 0.201 -6.197 3.154 1.00 0.00 O ATOM 142 CB PHE A 505 2.622 -5.091 3.767 1.00 0.00 C ATOM 143 CG PHE A 505 4.028 -4.683 4.107 1.00 0.00 C ATOM 144 CD1 PHE A 505 4.283 -3.879 5.206 1.00 0.00 C ATOM 145 CD2 PHE A 505 5.093 -5.105 3.328 1.00 0.00 C ATOM 146 CE1 PHE A 505 5.575 -3.502 5.521 1.00 0.00 C ATOM 147 CE2 PHE A 505 6.387 -4.731 3.638 1.00 0.00 C ATOM 148 CZ PHE A 505 6.628 -3.929 4.736 1.00 0.00 C ATOM 0 H PHE A 505 3.219 -7.632 3.566 1.00 0.00 H new ATOM 0 HA PHE A 505 2.092 -5.911 5.682 1.00 0.00 H new ATOM 0 HB2 PHE A 505 2.584 -5.397 2.722 1.00 0.00 H new ATOM 0 HB3 PHE A 505 1.966 -4.227 3.870 1.00 0.00 H new ATOM 0 HD1 PHE A 505 3.463 -3.543 5.824 1.00 0.00 H new ATOM 0 HD2 PHE A 505 4.910 -5.733 2.469 1.00 0.00 H new ATOM 0 HE1 PHE A 505 5.761 -2.874 6.380 1.00 0.00 H new ATOM 0 HE2 PHE A 505 7.209 -5.066 3.022 1.00 0.00 H new ATOM 0 HZ PHE A 505 7.638 -3.636 4.980 1.00 0.00 H new ATOM 158 N ASP A 506 -0.052 -7.261 5.121 1.00 0.00 N ATOM 159 CA ASP A 506 -1.435 -7.645 4.860 1.00 0.00 C ATOM 160 C ASP A 506 -2.397 -6.811 5.700 1.00 0.00 C ATOM 161 O ASP A 506 -2.269 -6.739 6.923 1.00 0.00 O ATOM 162 CB ASP A 506 -1.638 -9.132 5.155 1.00 0.00 C ATOM 163 CG ASP A 506 -0.890 -9.584 6.393 1.00 0.00 C ATOM 164 OD1 ASP A 506 0.350 -9.722 6.321 1.00 0.00 O ATOM 165 OD2 ASP A 506 -1.543 -9.799 7.435 1.00 0.00 O ATOM 0 H ASP A 506 0.309 -7.572 6.023 1.00 0.00 H new ATOM 0 HA ASP A 506 -1.646 -7.460 3.807 1.00 0.00 H new ATOM 0 HB2 ASP A 506 -2.702 -9.332 5.284 1.00 0.00 H new ATOM 0 HB3 ASP A 506 -1.305 -9.718 4.299 1.00 0.00 H new ATOM 170 N CYS A 507 -3.361 -6.181 5.036 1.00 0.00 N ATOM 171 CA CYS A 507 -4.345 -5.351 5.720 1.00 0.00 C ATOM 172 C CYS A 507 -5.091 -6.154 6.781 1.00 0.00 C ATOM 173 O CYS A 507 -5.857 -7.063 6.462 1.00 0.00 O ATOM 174 CB CYS A 507 -5.339 -4.768 4.713 1.00 0.00 C ATOM 175 SG CYS A 507 -6.381 -3.433 5.385 1.00 0.00 S ATOM 0 H CYS A 507 -3.481 -6.230 4.024 1.00 0.00 H new ATOM 0 HA CYS A 507 -3.816 -4.535 6.213 1.00 0.00 H new ATOM 0 HB2 CYS A 507 -4.788 -4.386 3.854 1.00 0.00 H new ATOM 0 HB3 CYS A 507 -5.983 -5.569 4.349 1.00 0.00 H new ATOM 180 N ILE A 508 -4.861 -5.811 8.044 1.00 0.00 N ATOM 181 CA ILE A 508 -5.512 -6.499 9.153 1.00 0.00 C ATOM 182 C ILE A 508 -6.935 -5.989 9.356 1.00 0.00 C ATOM 183 O ILE A 508 -7.659 -6.471 10.228 1.00 0.00 O ATOM 184 CB ILE A 508 -4.723 -6.325 10.464 1.00 0.00 C ATOM 185 CG1 ILE A 508 -4.645 -4.845 10.845 1.00 0.00 C ATOM 186 CG2 ILE A 508 -3.329 -6.917 10.326 1.00 0.00 C ATOM 187 CD1 ILE A 508 -4.048 -4.604 12.214 1.00 0.00 C ATOM 0 H ILE A 508 -4.229 -5.061 8.325 1.00 0.00 H new ATOM 0 HA ILE A 508 -5.542 -7.558 8.895 1.00 0.00 H new ATOM 0 HB ILE A 508 -5.245 -6.858 11.259 1.00 0.00 H new ATOM 0 HG12 ILE A 508 -4.050 -4.317 10.100 1.00 0.00 H new ATOM 0 HG13 ILE A 508 -5.647 -4.417 10.814 1.00 0.00 H new ATOM 0 HG21 ILE A 508 -2.784 -6.786 11.261 1.00 0.00 H new ATOM 0 HG22 ILE A 508 -3.406 -7.980 10.097 1.00 0.00 H new ATOM 0 HG23 ILE A 508 -2.796 -6.410 9.521 1.00 0.00 H new ATOM 0 HD11 ILE A 508 -4.024 -3.533 12.417 1.00 0.00 H new ATOM 0 HD12 ILE A 508 -4.656 -5.103 12.969 1.00 0.00 H new ATOM 0 HD13 ILE A 508 -3.034 -5.002 12.244 1.00 0.00 H new ATOM 199 N ASP A 509 -7.329 -5.013 8.546 1.00 0.00 N ATOM 200 CA ASP A 509 -8.667 -4.439 8.635 1.00 0.00 C ATOM 201 C ASP A 509 -9.670 -5.275 7.847 1.00 0.00 C ATOM 202 O ASP A 509 -10.745 -5.608 8.347 1.00 0.00 O ATOM 203 CB ASP A 509 -8.663 -3.000 8.116 1.00 0.00 C ATOM 204 CG ASP A 509 -7.497 -2.193 8.654 1.00 0.00 C ATOM 205 OD1 ASP A 509 -6.970 -2.555 9.726 1.00 0.00 O ATOM 206 OD2 ASP A 509 -7.112 -1.201 8.001 1.00 0.00 O ATOM 0 H ASP A 509 -6.741 -4.603 7.820 1.00 0.00 H new ATOM 0 HA ASP A 509 -8.967 -4.438 9.683 1.00 0.00 H new ATOM 0 HB2 ASP A 509 -8.622 -3.010 7.027 1.00 0.00 H new ATOM 0 HB3 ASP A 509 -9.597 -2.513 8.396 1.00 0.00 H new ATOM 211 N CYS A 510 -9.313 -5.609 6.612 1.00 0.00 N ATOM 212 CA CYS A 510 -10.182 -6.405 5.753 1.00 0.00 C ATOM 213 C CYS A 510 -9.607 -7.803 5.544 1.00 0.00 C ATOM 214 O CYS A 510 -10.347 -8.782 5.453 1.00 0.00 O ATOM 215 CB CYS A 510 -10.371 -5.712 4.402 1.00 0.00 C ATOM 216 SG CYS A 510 -8.814 -5.329 3.538 1.00 0.00 S ATOM 0 H CYS A 510 -8.427 -5.341 6.183 1.00 0.00 H new ATOM 0 HA CYS A 510 -11.150 -6.499 6.244 1.00 0.00 H new ATOM 0 HB2 CYS A 510 -10.982 -6.348 3.762 1.00 0.00 H new ATOM 0 HB3 CYS A 510 -10.926 -4.787 4.555 1.00 0.00 H new ATOM 221 N GLY A 511 -8.282 -7.888 5.468 1.00 0.00 N ATOM 222 CA GLY A 511 -7.631 -9.169 5.271 1.00 0.00 C ATOM 223 C GLY A 511 -6.905 -9.252 3.943 1.00 0.00 C ATOM 224 O GLY A 511 -6.612 -10.343 3.453 1.00 0.00 O ATOM 0 H GLY A 511 -7.648 -7.092 5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 511 -6.922 -9.341 6.081 1.00 0.00 H new ATOM 0 HA3 GLY A 511 -8.375 -9.963 5.325 1.00 0.00 H new ATOM 228 N LYS A 512 -6.613 -8.096 3.357 1.00 0.00 N ATOM 229 CA LYS A 512 -5.917 -8.040 2.077 1.00 0.00 C ATOM 230 C LYS A 512 -4.426 -8.307 2.257 1.00 0.00 C ATOM 231 O LYS A 512 -3.925 -8.352 3.380 1.00 0.00 O ATOM 232 CB LYS A 512 -6.126 -6.675 1.418 1.00 0.00 C ATOM 233 CG LYS A 512 -7.302 -6.636 0.458 1.00 0.00 C ATOM 234 CD LYS A 512 -7.038 -5.699 -0.709 1.00 0.00 C ATOM 235 CE LYS A 512 -5.948 -6.239 -1.622 1.00 0.00 C ATOM 236 NZ LYS A 512 -5.928 -5.538 -2.936 1.00 0.00 N ATOM 0 H LYS A 512 -6.848 -7.184 3.749 1.00 0.00 H new ATOM 0 HA LYS A 512 -6.332 -8.815 1.432 1.00 0.00 H new ATOM 0 HB2 LYS A 512 -6.277 -5.925 2.195 1.00 0.00 H new ATOM 0 HB3 LYS A 512 -5.219 -6.398 0.880 1.00 0.00 H new ATOM 0 HG2 LYS A 512 -7.500 -7.640 0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 512 -8.197 -6.313 0.990 1.00 0.00 H new ATOM 0 HD2 LYS A 512 -7.956 -5.559 -1.280 1.00 0.00 H new ATOM 0 HD3 LYS A 512 -6.745 -4.719 -0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 512 -4.979 -6.127 -1.136 1.00 0.00 H new ATOM 0 HE3 LYS A 512 -6.104 -7.306 -1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 512 -5.172 -5.935 -3.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 512 -6.844 -5.666 -3.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 512 -5.754 -4.524 -2.786 1.00 0.00 H new ATOM 250 N ALA A 513 -3.722 -8.481 1.143 1.00 0.00 N ATOM 251 CA ALA A 513 -2.288 -8.740 1.178 1.00 0.00 C ATOM 252 C ALA A 513 -1.536 -7.786 0.256 1.00 0.00 C ATOM 253 O ALA A 513 -1.995 -7.478 -0.844 1.00 0.00 O ATOM 254 CB ALA A 513 -2.002 -10.184 0.794 1.00 0.00 C ATOM 0 H ALA A 513 -4.122 -8.447 0.205 1.00 0.00 H new ATOM 0 HA ALA A 513 -1.938 -8.571 2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 513 -0.927 -10.363 0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 513 -2.501 -10.853 1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 513 -2.373 -10.373 -0.214 1.00 0.00 H new ATOM 260 N PHE A 514 -0.377 -7.321 0.712 1.00 0.00 N ATOM 261 CA PHE A 514 0.439 -6.401 -0.072 1.00 0.00 C ATOM 262 C PHE A 514 1.924 -6.690 0.122 1.00 0.00 C ATOM 263 O PHE A 514 2.352 -7.096 1.202 1.00 0.00 O ATOM 264 CB PHE A 514 0.133 -4.954 0.321 1.00 0.00 C ATOM 265 CG PHE A 514 -1.320 -4.595 0.203 1.00 0.00 C ATOM 266 CD1 PHE A 514 -2.188 -4.808 1.262 1.00 0.00 C ATOM 267 CD2 PHE A 514 -1.818 -4.043 -0.966 1.00 0.00 C ATOM 268 CE1 PHE A 514 -3.526 -4.479 1.156 1.00 0.00 C ATOM 269 CE2 PHE A 514 -3.156 -3.711 -1.078 1.00 0.00 C ATOM 270 CZ PHE A 514 -4.011 -3.929 -0.015 1.00 0.00 C ATOM 0 H PHE A 514 0.018 -7.566 1.620 1.00 0.00 H new ATOM 0 HA PHE A 514 0.194 -6.544 -1.125 1.00 0.00 H new ATOM 0 HB2 PHE A 514 0.457 -4.789 1.348 1.00 0.00 H new ATOM 0 HB3 PHE A 514 0.717 -4.284 -0.310 1.00 0.00 H new ATOM 0 HD1 PHE A 514 -1.815 -5.236 2.181 1.00 0.00 H new ATOM 0 HD2 PHE A 514 -1.154 -3.870 -1.800 1.00 0.00 H new ATOM 0 HE1 PHE A 514 -4.192 -4.652 1.988 1.00 0.00 H new ATOM 0 HE2 PHE A 514 -3.532 -3.282 -1.995 1.00 0.00 H new ATOM 0 HZ PHE A 514 -5.056 -3.670 -0.099 1.00 0.00 H new ATOM 280 N SER A 515 2.705 -6.478 -0.932 1.00 0.00 N ATOM 281 CA SER A 515 4.142 -6.720 -0.880 1.00 0.00 C ATOM 282 C SER A 515 4.910 -5.406 -0.763 1.00 0.00 C ATOM 283 O SER A 515 6.032 -5.284 -1.256 1.00 0.00 O ATOM 284 CB SER A 515 4.598 -7.481 -2.127 1.00 0.00 C ATOM 285 OG SER A 515 3.583 -8.352 -2.592 1.00 0.00 O ATOM 0 H SER A 515 2.367 -6.139 -1.833 1.00 0.00 H new ATOM 0 HA SER A 515 4.352 -7.324 0.003 1.00 0.00 H new ATOM 0 HB2 SER A 515 4.862 -6.773 -2.913 1.00 0.00 H new ATOM 0 HB3 SER A 515 5.497 -8.054 -1.899 1.00 0.00 H new ATOM 0 HG SER A 515 3.898 -8.825 -3.390 1.00 0.00 H new ATOM 291 N ASP A 516 4.297 -4.427 -0.107 1.00 0.00 N ATOM 292 CA ASP A 516 4.922 -3.122 0.077 1.00 0.00 C ATOM 293 C ASP A 516 4.153 -2.291 1.099 1.00 0.00 C ATOM 294 O ASP A 516 2.931 -2.167 1.021 1.00 0.00 O ATOM 295 CB ASP A 516 4.995 -2.375 -1.256 1.00 0.00 C ATOM 296 CG ASP A 516 3.818 -2.687 -2.159 1.00 0.00 C ATOM 297 OD1 ASP A 516 2.689 -2.809 -1.640 1.00 0.00 O ATOM 298 OD2 ASP A 516 4.026 -2.809 -3.384 1.00 0.00 O ATOM 0 H ASP A 516 3.368 -4.512 0.306 1.00 0.00 H new ATOM 0 HA ASP A 516 5.933 -3.280 0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 516 5.030 -1.302 -1.067 1.00 0.00 H new ATOM 0 HB3 ASP A 516 5.921 -2.639 -1.767 1.00 0.00 H new ATOM 303 N HIS A 517 4.878 -1.724 2.058 1.00 0.00 N ATOM 304 CA HIS A 517 4.264 -0.904 3.097 1.00 0.00 C ATOM 305 C HIS A 517 3.364 0.165 2.484 1.00 0.00 C ATOM 306 O HIS A 517 2.183 0.262 2.819 1.00 0.00 O ATOM 307 CB HIS A 517 5.341 -0.247 3.961 1.00 0.00 C ATOM 308 CG HIS A 517 4.881 1.006 4.641 1.00 0.00 C ATOM 309 ND1 HIS A 517 5.370 2.256 4.327 1.00 0.00 N ATOM 310 CD2 HIS A 517 3.969 1.196 5.624 1.00 0.00 C ATOM 311 CE1 HIS A 517 4.781 3.161 5.088 1.00 0.00 C ATOM 312 NE2 HIS A 517 3.926 2.543 5.884 1.00 0.00 N ATOM 0 H HIS A 517 5.891 -1.817 2.137 1.00 0.00 H new ATOM 0 HA HIS A 517 3.652 -1.553 3.724 1.00 0.00 H new ATOM 0 HB2 HIS A 517 5.674 -0.959 4.716 1.00 0.00 H new ATOM 0 HB3 HIS A 517 6.205 -0.016 3.337 1.00 0.00 H new ATOM 0 HD2 HIS A 517 3.384 0.430 6.112 1.00 0.00 H new ATOM 0 HE1 HIS A 517 4.967 4.225 5.064 1.00 0.00 H new ATOM 0 HE2 HIS A 517 3.331 2.994 6.579 1.00 0.00 H new ATOM 320 N ILE A 518 3.930 0.965 1.587 1.00 0.00 N ATOM 321 CA ILE A 518 3.179 2.026 0.929 1.00 0.00 C ATOM 322 C ILE A 518 1.885 1.491 0.325 1.00 0.00 C ATOM 323 O ILE A 518 0.818 2.078 0.498 1.00 0.00 O ATOM 324 CB ILE A 518 4.009 2.700 -0.180 1.00 0.00 C ATOM 325 CG1 ILE A 518 5.261 3.349 0.413 1.00 0.00 C ATOM 326 CG2 ILE A 518 3.170 3.731 -0.918 1.00 0.00 C ATOM 327 CD1 ILE A 518 4.960 4.384 1.475 1.00 0.00 C ATOM 0 H ILE A 518 4.906 0.898 1.299 1.00 0.00 H new ATOM 0 HA ILE A 518 2.942 2.765 1.694 1.00 0.00 H new ATOM 0 HB ILE A 518 4.321 1.937 -0.894 1.00 0.00 H new ATOM 0 HG12 ILE A 518 5.894 2.573 0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 518 5.832 3.818 -0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 518 3.771 4.198 -1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 518 2.306 3.242 -1.369 1.00 0.00 H new ATOM 0 HG23 ILE A 518 2.830 4.493 -0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 518 5.894 4.802 1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 518 4.353 5.181 1.045 1.00 0.00 H new ATOM 0 HD13 ILE A 518 4.416 3.916 2.295 1.00 0.00 H new ATOM 339 N GLY A 519 1.988 0.370 -0.383 1.00 0.00 N ATOM 340 CA GLY A 519 0.819 -0.228 -1.000 1.00 0.00 C ATOM 341 C GLY A 519 -0.265 -0.555 0.008 1.00 0.00 C ATOM 342 O GLY A 519 -1.454 -0.405 -0.276 1.00 0.00 O ATOM 0 H GLY A 519 2.861 -0.134 -0.540 1.00 0.00 H new ATOM 0 HA2 GLY A 519 0.419 0.454 -1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 519 1.113 -1.139 -1.521 1.00 0.00 H new ATOM 346 N LEU A 520 0.144 -1.007 1.188 1.00 0.00 N ATOM 347 CA LEU A 520 -0.801 -1.359 2.242 1.00 0.00 C ATOM 348 C LEU A 520 -1.427 -0.109 2.853 1.00 0.00 C ATOM 349 O LEU A 520 -2.648 0.033 2.885 1.00 0.00 O ATOM 350 CB LEU A 520 -0.101 -2.175 3.330 1.00 0.00 C ATOM 351 CG LEU A 520 -0.833 -2.276 4.669 1.00 0.00 C ATOM 352 CD1 LEU A 520 -2.221 -2.866 4.475 1.00 0.00 C ATOM 353 CD2 LEU A 520 -0.029 -3.112 5.654 1.00 0.00 C ATOM 0 H LEU A 520 1.124 -1.138 1.439 1.00 0.00 H new ATOM 0 HA LEU A 520 -1.594 -1.960 1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 520 0.062 -3.184 2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 520 0.882 -1.738 3.508 1.00 0.00 H new ATOM 0 HG LEU A 520 -0.942 -1.272 5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 520 -2.727 -2.930 5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 520 -2.797 -2.228 3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 520 -2.135 -3.863 4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 520 -0.565 -3.173 6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 520 0.111 -4.115 5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 520 0.944 -2.647 5.817 1.00 0.00 H new ATOM 365 N ASN A 521 -0.580 0.796 3.334 1.00 0.00 N ATOM 366 CA ASN A 521 -1.051 2.035 3.942 1.00 0.00 C ATOM 367 C ASN A 521 -1.998 2.776 3.003 1.00 0.00 C ATOM 368 O ASN A 521 -3.075 3.211 3.410 1.00 0.00 O ATOM 369 CB ASN A 521 0.135 2.934 4.301 1.00 0.00 C ATOM 370 CG ASN A 521 -0.148 3.811 5.505 1.00 0.00 C ATOM 371 OD1 ASN A 521 -1.258 3.813 6.039 1.00 0.00 O ATOM 372 ND2 ASN A 521 0.857 4.562 5.939 1.00 0.00 N ATOM 0 H ASN A 521 0.435 0.694 3.314 1.00 0.00 H new ATOM 0 HA ASN A 521 -1.595 1.780 4.852 1.00 0.00 H new ATOM 0 HB2 ASN A 521 1.009 2.315 4.503 1.00 0.00 H new ATOM 0 HB3 ASN A 521 0.382 3.564 3.446 1.00 0.00 H new ATOM 0 HD21 ASN A 521 0.726 5.172 6.746 1.00 0.00 H new ATOM 0 HD22 ASN A 521 1.760 4.529 5.466 1.00 0.00 H new ATOM 379 N GLN A 522 -1.589 2.915 1.746 1.00 0.00 N ATOM 380 CA GLN A 522 -2.402 3.603 0.750 1.00 0.00 C ATOM 381 C GLN A 522 -3.768 2.940 0.611 1.00 0.00 C ATOM 382 O GLN A 522 -4.738 3.575 0.194 1.00 0.00 O ATOM 383 CB GLN A 522 -1.687 3.615 -0.602 1.00 0.00 C ATOM 384 CG GLN A 522 -0.837 4.855 -0.830 1.00 0.00 C ATOM 385 CD GLN A 522 -1.625 5.999 -1.436 1.00 0.00 C ATOM 386 OE1 GLN A 522 -2.831 5.889 -1.659 1.00 0.00 O ATOM 387 NE2 GLN A 522 -0.946 7.108 -1.705 1.00 0.00 N ATOM 0 H GLN A 522 -0.700 2.561 1.393 1.00 0.00 H new ATOM 0 HA GLN A 522 -2.550 4.630 1.084 1.00 0.00 H new ATOM 0 HB2 GLN A 522 -1.053 2.731 -0.676 1.00 0.00 H new ATOM 0 HB3 GLN A 522 -2.429 3.542 -1.397 1.00 0.00 H new ATOM 0 HG2 GLN A 522 -0.408 5.177 0.119 1.00 0.00 H new ATOM 0 HG3 GLN A 522 -0.004 4.604 -1.487 1.00 0.00 H new ATOM 0 HE21 GLN A 522 0.053 7.156 -1.504 1.00 0.00 H new ATOM 0 HE22 GLN A 522 -1.423 7.912 -2.113 1.00 0.00 H new ATOM 396 N HIS A 523 -3.838 1.660 0.962 1.00 0.00 N ATOM 397 CA HIS A 523 -5.087 0.911 0.876 1.00 0.00 C ATOM 398 C HIS A 523 -5.907 1.073 2.152 1.00 0.00 C ATOM 399 O HIS A 523 -7.137 1.051 2.117 1.00 0.00 O ATOM 400 CB HIS A 523 -4.801 -0.570 0.624 1.00 0.00 C ATOM 401 CG HIS A 523 -5.954 -1.467 0.955 1.00 0.00 C ATOM 402 ND1 HIS A 523 -6.950 -1.777 0.053 1.00 0.00 N ATOM 403 CD2 HIS A 523 -6.265 -2.124 2.097 1.00 0.00 C ATOM 404 CE1 HIS A 523 -7.824 -2.584 0.627 1.00 0.00 C ATOM 405 NE2 HIS A 523 -7.432 -2.810 1.867 1.00 0.00 N ATOM 0 H HIS A 523 -3.045 1.120 1.308 1.00 0.00 H new ATOM 0 HA HIS A 523 -5.664 1.309 0.042 1.00 0.00 H new ATOM 0 HB2 HIS A 523 -4.534 -0.707 -0.424 1.00 0.00 H new ATOM 0 HB3 HIS A 523 -3.936 -0.870 1.215 1.00 0.00 H new ATOM 0 HD1 HIS A 523 -7.003 -1.436 -0.907 1.00 0.00 H new ATOM 0 HD2 HIS A 523 -5.700 -2.111 3.018 1.00 0.00 H new ATOM 0 HE1 HIS A 523 -8.709 -2.990 0.161 1.00 0.00 H new ATOM 413 N ARG A 524 -5.217 1.235 3.276 1.00 0.00 N ATOM 414 CA ARG A 524 -5.882 1.399 4.563 1.00 0.00 C ATOM 415 C ARG A 524 -6.682 2.698 4.601 1.00 0.00 C ATOM 416 O ARG A 524 -7.522 2.896 5.478 1.00 0.00 O ATOM 417 CB ARG A 524 -4.854 1.387 5.697 1.00 0.00 C ATOM 418 CG ARG A 524 -4.585 0.002 6.261 1.00 0.00 C ATOM 419 CD ARG A 524 -3.160 -0.121 6.779 1.00 0.00 C ATOM 420 NE ARG A 524 -3.048 -1.119 7.839 1.00 0.00 N ATOM 421 CZ ARG A 524 -1.956 -1.289 8.575 1.00 0.00 C ATOM 422 NH1 ARG A 524 -0.888 -0.532 8.368 1.00 0.00 N ATOM 423 NH2 ARG A 524 -1.930 -2.219 9.522 1.00 0.00 N ATOM 0 H ARG A 524 -4.198 1.256 3.322 1.00 0.00 H new ATOM 0 HA ARG A 524 -6.571 0.565 4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 524 -3.918 1.809 5.332 1.00 0.00 H new ATOM 0 HB3 ARG A 524 -5.204 2.035 6.500 1.00 0.00 H new ATOM 0 HG2 ARG A 524 -5.286 -0.206 7.069 1.00 0.00 H new ATOM 0 HG3 ARG A 524 -4.758 -0.747 5.488 1.00 0.00 H new ATOM 0 HD2 ARG A 524 -2.497 -0.390 5.957 1.00 0.00 H new ATOM 0 HD3 ARG A 524 -2.826 0.846 7.155 1.00 0.00 H new ATOM 0 HE ARG A 524 -3.852 -1.718 8.024 1.00 0.00 H new ATOM 0 HH11 ARG A 524 -0.903 0.184 7.642 1.00 0.00 H new ATOM 0 HH12 ARG A 524 -0.051 -0.665 8.935 1.00 0.00 H new ATOM 0 HH21 ARG A 524 -2.750 -2.804 9.685 1.00 0.00 H new ATOM 0 HH22 ARG A 524 -1.090 -2.349 10.087 1.00 0.00 H new ATOM 437 N ARG A 525 -6.414 3.579 3.643 1.00 0.00 N ATOM 438 CA ARG A 525 -7.107 4.859 3.568 1.00 0.00 C ATOM 439 C ARG A 525 -8.619 4.658 3.534 1.00 0.00 C ATOM 440 O ARG A 525 -9.381 5.530 3.951 1.00 0.00 O ATOM 441 CB ARG A 525 -6.658 5.635 2.328 1.00 0.00 C ATOM 442 CG ARG A 525 -5.154 5.841 2.251 1.00 0.00 C ATOM 443 CD ARG A 525 -4.779 6.790 1.123 1.00 0.00 C ATOM 444 NE ARG A 525 -5.460 6.454 -0.124 1.00 0.00 N ATOM 445 CZ ARG A 525 -5.582 7.296 -1.144 1.00 0.00 C ATOM 446 NH1 ARG A 525 -5.072 8.518 -1.065 1.00 0.00 N ATOM 447 NH2 ARG A 525 -6.216 6.917 -2.247 1.00 0.00 N ATOM 0 H ARG A 525 -5.722 3.430 2.908 1.00 0.00 H new ATOM 0 HA ARG A 525 -6.854 5.433 4.459 1.00 0.00 H new ATOM 0 HB2 ARG A 525 -6.990 5.102 1.437 1.00 0.00 H new ATOM 0 HB3 ARG A 525 -7.150 6.607 2.320 1.00 0.00 H new ATOM 0 HG2 ARG A 525 -4.791 6.239 3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 525 -4.661 4.881 2.099 1.00 0.00 H new ATOM 0 HD2 ARG A 525 -5.031 7.811 1.410 1.00 0.00 H new ATOM 0 HD3 ARG A 525 -3.701 6.759 0.967 1.00 0.00 H new ATOM 0 HE ARG A 525 -5.864 5.522 -0.217 1.00 0.00 H new ATOM 0 HH11 ARG A 525 -4.584 8.813 -0.219 1.00 0.00 H new ATOM 0 HH12 ARG A 525 -5.167 9.162 -1.850 1.00 0.00 H new ATOM 0 HH21 ARG A 525 -6.610 5.978 -2.312 1.00 0.00 H new ATOM 0 HH22 ARG A 525 -6.309 7.564 -3.030 1.00 0.00 H new ATOM 461 N ILE A 526 -9.046 3.503 3.034 1.00 0.00 N ATOM 462 CA ILE A 526 -10.466 3.187 2.946 1.00 0.00 C ATOM 463 C ILE A 526 -11.052 2.903 4.325 1.00 0.00 C ATOM 464 O ILE A 526 -12.239 3.128 4.566 1.00 0.00 O ATOM 465 CB ILE A 526 -10.717 1.972 2.034 1.00 0.00 C ATOM 466 CG1 ILE A 526 -10.259 0.685 2.723 1.00 0.00 C ATOM 467 CG2 ILE A 526 -10.000 2.151 0.704 1.00 0.00 C ATOM 468 CD1 ILE A 526 -10.395 -0.547 1.856 1.00 0.00 C ATOM 0 H ILE A 526 -8.428 2.771 2.684 1.00 0.00 H new ATOM 0 HA ILE A 526 -10.958 4.060 2.517 1.00 0.00 H new ATOM 0 HB ILE A 526 -11.787 1.897 1.841 1.00 0.00 H new ATOM 0 HG12 ILE A 526 -9.217 0.795 3.023 1.00 0.00 H new ATOM 0 HG13 ILE A 526 -10.840 0.544 3.634 1.00 0.00 H new ATOM 0 HG21 ILE A 526 -10.187 1.284 0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 526 -10.370 3.049 0.209 1.00 0.00 H new ATOM 0 HG23 ILE A 526 -8.928 2.248 0.879 1.00 0.00 H new ATOM 0 HD11 ILE A 526 -10.052 -1.421 2.409 1.00 0.00 H new ATOM 0 HD12 ILE A 526 -11.440 -0.682 1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 526 -9.791 -0.427 0.956 1.00 0.00 H new ATOM 480 N HIS A 527 -10.212 2.408 5.229 1.00 0.00 N ATOM 481 CA HIS A 527 -10.646 2.095 6.586 1.00 0.00 C ATOM 482 C HIS A 527 -10.421 3.283 7.516 1.00 0.00 C ATOM 483 O HIS A 527 -11.290 3.633 8.315 1.00 0.00 O ATOM 484 CB HIS A 527 -9.898 0.870 7.113 1.00 0.00 C ATOM 485 CG HIS A 527 -9.878 -0.280 6.154 1.00 0.00 C ATOM 486 ND1 HIS A 527 -11.021 -0.916 5.718 1.00 0.00 N ATOM 487 CD2 HIS A 527 -8.845 -0.906 5.544 1.00 0.00 C ATOM 488 CE1 HIS A 527 -10.692 -1.885 4.884 1.00 0.00 C ATOM 489 NE2 HIS A 527 -9.377 -1.900 4.760 1.00 0.00 N ATOM 0 H HIS A 527 -9.227 2.215 5.046 1.00 0.00 H new ATOM 0 HA HIS A 527 -11.713 1.875 6.559 1.00 0.00 H new ATOM 0 HB2 HIS A 527 -8.872 1.154 7.347 1.00 0.00 H new ATOM 0 HB3 HIS A 527 -10.360 0.546 8.046 1.00 0.00 H new ATOM 0 HD1 HIS A 527 -11.972 -0.675 5.996 1.00 0.00 H new ATOM 0 HD2 HIS A 527 -7.797 -0.668 5.653 1.00 0.00 H new ATOM 0 HE1 HIS A 527 -11.381 -2.552 4.387 1.00 0.00 H new ATOM 497 N THR A 528 -9.249 3.900 7.407 1.00 0.00 N ATOM 498 CA THR A 528 -8.909 5.048 8.239 1.00 0.00 C ATOM 499 C THR A 528 -9.806 6.239 7.925 1.00 0.00 C ATOM 500 O THR A 528 -10.204 6.444 6.779 1.00 0.00 O ATOM 501 CB THR A 528 -7.438 5.463 8.049 1.00 0.00 C ATOM 502 OG1 THR A 528 -7.262 6.070 6.764 1.00 0.00 O ATOM 503 CG2 THR A 528 -6.515 4.260 8.178 1.00 0.00 C ATOM 0 H THR A 528 -8.519 3.624 6.751 1.00 0.00 H new ATOM 0 HA THR A 528 -9.062 4.745 9.275 1.00 0.00 H new ATOM 0 HB THR A 528 -7.183 6.182 8.828 1.00 0.00 H new ATOM 0 HG1 THR A 528 -6.324 6.332 6.652 1.00 0.00 H new ATOM 0 HG21 THR A 528 -5.482 4.578 8.040 1.00 0.00 H new ATOM 0 HG22 THR A 528 -6.630 3.818 9.168 1.00 0.00 H new ATOM 0 HG23 THR A 528 -6.772 3.521 7.419 1.00 0.00 H new ATOM 511 N GLY A 529 -10.121 7.024 8.951 1.00 0.00 N ATOM 512 CA GLY A 529 -10.969 8.186 8.763 1.00 0.00 C ATOM 513 C GLY A 529 -12.320 8.032 9.433 1.00 0.00 C ATOM 514 O GLY A 529 -12.400 7.821 10.642 1.00 0.00 O ATOM 0 H GLY A 529 -9.804 6.876 9.909 1.00 0.00 H new ATOM 0 HA2 GLY A 529 -10.467 9.067 9.163 1.00 0.00 H new ATOM 0 HA3 GLY A 529 -11.113 8.358 7.696 1.00 0.00 H new ATOM 518 N GLU A 530 -13.385 8.140 8.644 1.00 0.00 N ATOM 519 CA GLU A 530 -14.740 8.014 9.169 1.00 0.00 C ATOM 520 C GLU A 530 -15.104 6.548 9.386 1.00 0.00 C ATOM 521 O GLU A 530 -14.377 5.646 8.969 1.00 0.00 O ATOM 522 CB GLU A 530 -15.743 8.664 8.215 1.00 0.00 C ATOM 523 CG GLU A 530 -15.921 7.907 6.909 1.00 0.00 C ATOM 524 CD GLU A 530 -16.926 8.566 5.985 1.00 0.00 C ATOM 525 OE1 GLU A 530 -18.018 8.936 6.464 1.00 0.00 O ATOM 526 OE2 GLU A 530 -16.620 8.711 4.783 1.00 0.00 O ATOM 0 H GLU A 530 -13.336 8.314 7.640 1.00 0.00 H new ATOM 0 HA GLU A 530 -14.779 8.527 10.130 1.00 0.00 H new ATOM 0 HB2 GLU A 530 -16.709 8.742 8.715 1.00 0.00 H new ATOM 0 HB3 GLU A 530 -15.416 9.680 7.994 1.00 0.00 H new ATOM 0 HG2 GLU A 530 -14.959 7.835 6.401 1.00 0.00 H new ATOM 0 HG3 GLU A 530 -16.245 6.889 7.125 1.00 0.00 H new ATOM 533 N LYS A 531 -16.236 6.317 10.043 1.00 0.00 N ATOM 534 CA LYS A 531 -16.700 4.962 10.316 1.00 0.00 C ATOM 535 C LYS A 531 -18.075 4.723 9.700 1.00 0.00 C ATOM 536 O LYS A 531 -18.811 5.658 9.383 1.00 0.00 O ATOM 537 CB LYS A 531 -16.756 4.715 11.826 1.00 0.00 C ATOM 538 CG LYS A 531 -15.450 4.201 12.406 1.00 0.00 C ATOM 539 CD LYS A 531 -15.411 4.360 13.917 1.00 0.00 C ATOM 540 CE LYS A 531 -16.293 3.332 14.609 1.00 0.00 C ATOM 541 NZ LYS A 531 -15.623 2.006 14.712 1.00 0.00 N ATOM 0 H LYS A 531 -16.849 7.051 10.396 1.00 0.00 H new ATOM 0 HA LYS A 531 -15.993 4.265 9.865 1.00 0.00 H new ATOM 0 HB2 LYS A 531 -17.026 5.644 12.328 1.00 0.00 H new ATOM 0 HB3 LYS A 531 -17.547 3.996 12.039 1.00 0.00 H new ATOM 0 HG2 LYS A 531 -15.324 3.150 12.146 1.00 0.00 H new ATOM 0 HG3 LYS A 531 -14.615 4.742 11.960 1.00 0.00 H new ATOM 0 HD2 LYS A 531 -14.384 4.256 14.268 1.00 0.00 H new ATOM 0 HD3 LYS A 531 -15.740 5.364 14.187 1.00 0.00 H new ATOM 0 HE2 LYS A 531 -16.551 3.687 15.607 1.00 0.00 H new ATOM 0 HE3 LYS A 531 -17.227 3.225 14.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 531 -16.256 1.333 15.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 531 -15.400 1.655 13.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 531 -14.744 2.103 15.260 1.00 0.00 H new ATOM 555 N PRO A 532 -18.433 3.442 9.528 1.00 0.00 N ATOM 556 CA PRO A 532 -19.722 3.051 8.951 1.00 0.00 C ATOM 557 C PRO A 532 -20.890 3.354 9.883 1.00 0.00 C ATOM 558 O PRO A 532 -22.013 3.582 9.433 1.00 0.00 O ATOM 559 CB PRO A 532 -19.577 1.540 8.749 1.00 0.00 C ATOM 560 CG PRO A 532 -18.559 1.120 9.752 1.00 0.00 C ATOM 561 CD PRO A 532 -17.606 2.277 9.884 1.00 0.00 C ATOM 0 HA PRO A 532 -19.941 3.598 8.034 1.00 0.00 H new ATOM 0 HB2 PRO A 532 -20.525 1.026 8.908 1.00 0.00 H new ATOM 0 HB3 PRO A 532 -19.254 1.305 7.735 1.00 0.00 H new ATOM 0 HG2 PRO A 532 -19.026 0.888 10.709 1.00 0.00 H new ATOM 0 HG3 PRO A 532 -18.038 0.220 9.426 1.00 0.00 H new ATOM 0 HD2 PRO A 532 -17.211 2.359 10.897 1.00 0.00 H new ATOM 0 HD3 PRO A 532 -16.751 2.172 9.216 1.00 0.00 H new ATOM 569 N SER A 533 -20.619 3.354 11.184 1.00 0.00 N ATOM 570 CA SER A 533 -21.648 3.626 12.180 1.00 0.00 C ATOM 571 C SER A 533 -22.791 2.621 12.068 1.00 0.00 C ATOM 572 O SER A 533 -23.962 2.982 12.176 1.00 0.00 O ATOM 573 CB SER A 533 -22.186 5.048 12.014 1.00 0.00 C ATOM 574 OG SER A 533 -21.185 5.917 11.513 1.00 0.00 O ATOM 0 H SER A 533 -19.695 3.168 11.573 1.00 0.00 H new ATOM 0 HA SER A 533 -21.197 3.529 13.168 1.00 0.00 H new ATOM 0 HB2 SER A 533 -23.039 5.041 11.335 1.00 0.00 H new ATOM 0 HB3 SER A 533 -22.546 5.418 12.974 1.00 0.00 H new ATOM 0 HG SER A 533 -21.555 6.819 11.414 1.00 0.00 H new ATOM 580 N GLY A 534 -22.441 1.357 11.850 1.00 0.00 N ATOM 581 CA GLY A 534 -23.447 0.319 11.726 1.00 0.00 C ATOM 582 C GLY A 534 -23.073 -0.944 12.476 1.00 0.00 C ATOM 583 O GLY A 534 -23.614 -1.242 13.541 1.00 0.00 O ATOM 0 H GLY A 534 -21.478 1.034 11.757 1.00 0.00 H new ATOM 0 HA2 GLY A 534 -24.399 0.693 12.103 1.00 0.00 H new ATOM 0 HA3 GLY A 534 -23.592 0.082 10.672 1.00 0.00 H new ATOM 587 N PRO A 535 -22.126 -1.711 11.915 1.00 0.00 N ATOM 588 CA PRO A 535 -21.660 -2.962 12.521 1.00 0.00 C ATOM 589 C PRO A 535 -20.853 -2.725 13.792 1.00 0.00 C ATOM 590 O PRO A 535 -20.074 -1.776 13.876 1.00 0.00 O ATOM 591 CB PRO A 535 -20.776 -3.575 11.432 1.00 0.00 C ATOM 592 CG PRO A 535 -20.313 -2.413 10.622 1.00 0.00 C ATOM 593 CD PRO A 535 -21.438 -1.416 10.647 1.00 0.00 C ATOM 0 HA PRO A 535 -22.489 -3.601 12.826 1.00 0.00 H new ATOM 0 HB2 PRO A 535 -19.935 -4.117 11.864 1.00 0.00 H new ATOM 0 HB3 PRO A 535 -21.334 -4.286 10.822 1.00 0.00 H new ATOM 0 HG2 PRO A 535 -19.402 -1.984 11.040 1.00 0.00 H new ATOM 0 HG3 PRO A 535 -20.083 -2.716 9.601 1.00 0.00 H new ATOM 0 HD2 PRO A 535 -21.068 -0.391 10.620 1.00 0.00 H new ATOM 0 HD3 PRO A 535 -22.102 -1.538 9.791 1.00 0.00 H new ATOM 601 N SER A 536 -21.044 -3.594 14.780 1.00 0.00 N ATOM 602 CA SER A 536 -20.335 -3.477 16.049 1.00 0.00 C ATOM 603 C SER A 536 -19.073 -4.335 16.048 1.00 0.00 C ATOM 604 O SER A 536 -19.144 -5.562 16.098 1.00 0.00 O ATOM 605 CB SER A 536 -21.246 -3.892 17.206 1.00 0.00 C ATOM 606 OG SER A 536 -20.533 -3.924 18.430 1.00 0.00 O ATOM 0 H SER A 536 -21.684 -4.387 14.726 1.00 0.00 H new ATOM 0 HA SER A 536 -20.045 -2.435 16.180 1.00 0.00 H new ATOM 0 HB2 SER A 536 -22.079 -3.194 17.285 1.00 0.00 H new ATOM 0 HB3 SER A 536 -21.671 -4.875 17.004 1.00 0.00 H new ATOM 0 HG SER A 536 -21.138 -4.190 19.154 1.00 0.00 H new ATOM 612 N SER A 537 -17.919 -3.678 15.990 1.00 0.00 N ATOM 613 CA SER A 537 -16.641 -4.379 15.978 1.00 0.00 C ATOM 614 C SER A 537 -15.809 -4.013 17.204 1.00 0.00 C ATOM 615 O SER A 537 -16.169 -3.118 17.967 1.00 0.00 O ATOM 616 CB SER A 537 -15.864 -4.045 14.703 1.00 0.00 C ATOM 617 OG SER A 537 -16.393 -4.739 13.587 1.00 0.00 O ATOM 0 H SER A 537 -17.843 -2.662 15.951 1.00 0.00 H new ATOM 0 HA SER A 537 -16.842 -5.450 16.003 1.00 0.00 H new ATOM 0 HB2 SER A 537 -15.904 -2.971 14.520 1.00 0.00 H new ATOM 0 HB3 SER A 537 -14.814 -4.307 14.834 1.00 0.00 H new ATOM 0 HG SER A 537 -15.880 -4.507 12.785 1.00 0.00 H new ATOM 623 N GLY A 538 -14.694 -4.714 17.385 1.00 0.00 N ATOM 624 CA GLY A 538 -13.828 -4.450 18.520 1.00 0.00 C ATOM 625 C GLY A 538 -13.019 -3.180 18.348 1.00 0.00 C ATOM 626 O GLY A 538 -13.085 -2.306 19.211 1.00 0.00 O ATOM 0 H GLY A 538 -14.375 -5.460 16.767 1.00 0.00 H new ATOM 0 HA2 GLY A 538 -14.432 -4.373 19.424 1.00 0.00 H new ATOM 0 HA3 GLY A 538 -13.151 -5.292 18.660 1.00 0.00 H new TER 630 GLY A 538 HETATM 631 ZN ZN A 201 -8.150 -3.247 3.788 1.00 0.00 ZN