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 26:sc= 0.0251 USER MOD Single : A 495 SER OG : rot 34:sc= 0.429 USER MOD Single : A 497 SER OG : rot 180:sc= 0 USER MOD Single : A 498 SER OG : rot 180:sc= 0 USER MOD Single : A 500 THR OG1 : rot 180:sc= -0.0343 USER MOD Single : A 503 LYS NZ :NH3+ -153:sc= -0.167 (180deg=-0.719) USER MOD Single : A 512 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 515 SER OG : rot 180:sc= 0.00916 USER MOD Single : A 517 HIS : no HD1:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 521 ASN : amide:sc= -0.0842 K(o=-0.084,f=-1.5!) USER MOD Single : A 522 GLN : amide:sc= -0.121 K(o=-0.12,f=-2.1!) USER MOD Single : A 528 THR OG1 : rot 180:sc= -0.0212 USER MOD Single : A 531 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 533 SER OG : rot 180:sc= 0 USER MOD Single : A 536 SER OG : rot 180:sc= 0 USER MOD Single : A 537 SER OG : rot 57:sc= 0.46 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 493 -18.495 -18.740 3.292 1.00 0.00 N ATOM 2 CA GLY A 493 -17.511 -18.810 2.228 1.00 0.00 C ATOM 3 C GLY A 493 -16.121 -18.428 2.697 1.00 0.00 C ATOM 4 O GLY A 493 -15.969 -17.623 3.616 1.00 0.00 O ATOM 0 HA2 GLY A 493 -17.489 -19.822 1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 493 -17.811 -18.148 1.415 1.00 0.00 H new ATOM 8 N SER A 494 -15.105 -19.007 2.065 1.00 0.00 N ATOM 9 CA SER A 494 -13.721 -18.726 2.427 1.00 0.00 C ATOM 10 C SER A 494 -12.822 -18.752 1.195 1.00 0.00 C ATOM 11 O SER A 494 -13.276 -19.035 0.086 1.00 0.00 O ATOM 12 CB SER A 494 -13.224 -19.743 3.456 1.00 0.00 C ATOM 13 OG SER A 494 -13.509 -19.313 4.776 1.00 0.00 O ATOM 0 H SER A 494 -15.214 -19.673 1.300 1.00 0.00 H new ATOM 0 HA SER A 494 -13.681 -17.728 2.864 1.00 0.00 H new ATOM 0 HB2 SER A 494 -13.696 -20.709 3.275 1.00 0.00 H new ATOM 0 HB3 SER A 494 -12.150 -19.886 3.341 1.00 0.00 H new ATOM 0 HG SER A 494 -14.288 -18.718 4.765 1.00 0.00 H new ATOM 19 N SER A 495 -11.542 -18.454 1.397 1.00 0.00 N ATOM 20 CA SER A 495 -10.578 -18.439 0.303 1.00 0.00 C ATOM 21 C SER A 495 -9.162 -18.663 0.823 1.00 0.00 C ATOM 22 O SER A 495 -8.663 -17.899 1.649 1.00 0.00 O ATOM 23 CB SER A 495 -10.652 -17.110 -0.451 1.00 0.00 C ATOM 24 OG SER A 495 -10.258 -16.030 0.378 1.00 0.00 O ATOM 0 H SER A 495 -11.149 -18.220 2.309 1.00 0.00 H new ATOM 0 HA SER A 495 -10.828 -19.251 -0.380 1.00 0.00 H new ATOM 0 HB2 SER A 495 -10.009 -17.151 -1.330 1.00 0.00 H new ATOM 0 HB3 SER A 495 -11.669 -16.947 -0.807 1.00 0.00 H new ATOM 0 HG SER A 495 -9.553 -16.328 0.991 1.00 0.00 H new ATOM 30 N GLY A 496 -8.518 -19.719 0.334 1.00 0.00 N ATOM 31 CA GLY A 496 -7.166 -20.026 0.760 1.00 0.00 C ATOM 32 C GLY A 496 -6.142 -19.077 0.169 1.00 0.00 C ATOM 33 O GLY A 496 -6.409 -17.887 0.009 1.00 0.00 O ATOM 0 H GLY A 496 -8.909 -20.367 -0.350 1.00 0.00 H new ATOM 0 HA2 GLY A 496 -7.112 -19.982 1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 496 -6.920 -21.047 0.470 1.00 0.00 H new ATOM 37 N SER A 497 -4.965 -19.605 -0.154 1.00 0.00 N ATOM 38 CA SER A 497 -3.895 -18.796 -0.725 1.00 0.00 C ATOM 39 C SER A 497 -2.728 -19.673 -1.168 1.00 0.00 C ATOM 40 O SER A 497 -2.231 -20.498 -0.401 1.00 0.00 O ATOM 41 CB SER A 497 -3.413 -17.760 0.291 1.00 0.00 C ATOM 42 OG SER A 497 -2.520 -16.836 -0.307 1.00 0.00 O ATOM 0 H SER A 497 -4.729 -20.589 -0.030 1.00 0.00 H new ATOM 0 HA SER A 497 -4.290 -18.279 -1.600 1.00 0.00 H new ATOM 0 HB2 SER A 497 -4.269 -17.227 0.706 1.00 0.00 H new ATOM 0 HB3 SER A 497 -2.918 -18.263 1.121 1.00 0.00 H new ATOM 0 HG SER A 497 -2.228 -16.183 0.363 1.00 0.00 H new ATOM 48 N SER A 498 -2.295 -19.488 -2.411 1.00 0.00 N ATOM 49 CA SER A 498 -1.188 -20.264 -2.958 1.00 0.00 C ATOM 50 C SER A 498 -0.242 -19.373 -3.756 1.00 0.00 C ATOM 51 O SER A 498 -0.489 -18.180 -3.925 1.00 0.00 O ATOM 52 CB SER A 498 -1.719 -21.390 -3.849 1.00 0.00 C ATOM 53 OG SER A 498 -2.718 -20.913 -4.732 1.00 0.00 O ATOM 0 H SER A 498 -2.694 -18.808 -3.058 1.00 0.00 H new ATOM 0 HA SER A 498 -0.634 -20.698 -2.125 1.00 0.00 H new ATOM 0 HB2 SER A 498 -0.899 -21.822 -4.422 1.00 0.00 H new ATOM 0 HB3 SER A 498 -2.128 -22.187 -3.228 1.00 0.00 H new ATOM 0 HG SER A 498 -3.040 -21.651 -5.291 1.00 0.00 H new ATOM 59 N GLY A 499 0.846 -19.962 -4.244 1.00 0.00 N ATOM 60 CA GLY A 499 1.814 -19.208 -5.018 1.00 0.00 C ATOM 61 C GLY A 499 2.960 -18.692 -4.169 1.00 0.00 C ATOM 62 O GLY A 499 2.787 -18.413 -2.982 1.00 0.00 O ATOM 0 H GLY A 499 1.074 -20.948 -4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 499 2.210 -19.840 -5.813 1.00 0.00 H new ATOM 0 HA3 GLY A 499 1.314 -18.367 -5.499 1.00 0.00 H new ATOM 66 N THR A 500 4.135 -18.567 -4.778 1.00 0.00 N ATOM 67 CA THR A 500 5.314 -18.085 -4.070 1.00 0.00 C ATOM 68 C THR A 500 5.268 -16.572 -3.892 1.00 0.00 C ATOM 69 O THR A 500 4.620 -15.865 -4.662 1.00 0.00 O ATOM 70 CB THR A 500 6.609 -18.464 -4.813 1.00 0.00 C ATOM 71 OG1 THR A 500 7.748 -17.977 -4.093 1.00 0.00 O ATOM 72 CG2 THR A 500 6.612 -17.891 -6.222 1.00 0.00 C ATOM 0 H THR A 500 4.295 -18.793 -5.760 1.00 0.00 H new ATOM 0 HA THR A 500 5.312 -18.563 -3.091 1.00 0.00 H new ATOM 0 HB THR A 500 6.658 -19.551 -4.879 1.00 0.00 H new ATOM 0 HG1 THR A 500 8.567 -18.224 -4.571 1.00 0.00 H new ATOM 0 HG21 THR A 500 7.536 -18.172 -6.727 1.00 0.00 H new ATOM 0 HG22 THR A 500 5.761 -18.286 -6.777 1.00 0.00 H new ATOM 0 HG23 THR A 500 6.541 -16.804 -6.173 1.00 0.00 H new ATOM 80 N GLY A 501 5.962 -16.079 -2.870 1.00 0.00 N ATOM 81 CA GLY A 501 5.987 -14.652 -2.609 1.00 0.00 C ATOM 82 C GLY A 501 5.660 -14.320 -1.167 1.00 0.00 C ATOM 83 O GLY A 501 4.744 -14.898 -0.583 1.00 0.00 O ATOM 0 H GLY A 501 6.507 -16.643 -2.218 1.00 0.00 H new ATOM 0 HA2 GLY A 501 6.973 -14.258 -2.854 1.00 0.00 H new ATOM 0 HA3 GLY A 501 5.273 -14.153 -3.264 1.00 0.00 H new ATOM 87 N GLU A 502 6.411 -13.387 -0.591 1.00 0.00 N ATOM 88 CA GLU A 502 6.197 -12.982 0.794 1.00 0.00 C ATOM 89 C GLU A 502 5.402 -11.681 0.863 1.00 0.00 C ATOM 90 O GLU A 502 5.738 -10.698 0.202 1.00 0.00 O ATOM 91 CB GLU A 502 7.538 -12.812 1.512 1.00 0.00 C ATOM 92 CG GLU A 502 8.484 -13.984 1.319 1.00 0.00 C ATOM 93 CD GLU A 502 9.339 -13.845 0.074 1.00 0.00 C ATOM 94 OE1 GLU A 502 10.164 -12.909 0.023 1.00 0.00 O ATOM 95 OE2 GLU A 502 9.182 -14.671 -0.850 1.00 0.00 O ATOM 0 H GLU A 502 7.172 -12.897 -1.061 1.00 0.00 H new ATOM 0 HA GLU A 502 5.624 -13.765 1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 502 8.021 -11.903 1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 502 7.355 -12.675 2.578 1.00 0.00 H new ATOM 0 HG2 GLU A 502 9.131 -14.071 2.192 1.00 0.00 H new ATOM 0 HG3 GLU A 502 7.906 -14.906 1.257 1.00 0.00 H new ATOM 102 N LYS A 503 4.345 -11.682 1.668 1.00 0.00 N ATOM 103 CA LYS A 503 3.501 -10.504 1.826 1.00 0.00 C ATOM 104 C LYS A 503 3.292 -10.179 3.301 1.00 0.00 C ATOM 105 O LYS A 503 2.227 -10.420 3.870 1.00 0.00 O ATOM 106 CB LYS A 503 2.149 -10.725 1.145 1.00 0.00 C ATOM 107 CG LYS A 503 2.150 -10.382 -0.335 1.00 0.00 C ATOM 108 CD LYS A 503 1.047 -11.116 -1.078 1.00 0.00 C ATOM 109 CE LYS A 503 1.521 -12.470 -1.585 1.00 0.00 C ATOM 110 NZ LYS A 503 2.629 -12.336 -2.571 1.00 0.00 N ATOM 0 H LYS A 503 4.052 -12.487 2.222 1.00 0.00 H new ATOM 0 HA LYS A 503 4.005 -9.661 1.354 1.00 0.00 H new ATOM 0 HB2 LYS A 503 1.856 -11.768 1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 503 1.395 -10.121 1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 503 2.021 -9.307 -0.460 1.00 0.00 H new ATOM 0 HG3 LYS A 503 3.116 -10.640 -0.769 1.00 0.00 H new ATOM 0 HD2 LYS A 503 0.191 -11.253 -0.417 1.00 0.00 H new ATOM 0 HD3 LYS A 503 0.707 -10.510 -1.918 1.00 0.00 H new ATOM 0 HE2 LYS A 503 1.855 -13.076 -0.743 1.00 0.00 H new ATOM 0 HE3 LYS A 503 0.686 -12.998 -2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 503 2.623 -13.154 -3.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 503 2.501 -11.463 -3.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 503 3.539 -12.298 -2.068 1.00 0.00 H new ATOM 124 N PRO A 504 4.331 -9.617 3.937 1.00 0.00 N ATOM 125 CA PRO A 504 4.283 -9.244 5.354 1.00 0.00 C ATOM 126 C PRO A 504 3.359 -8.060 5.612 1.00 0.00 C ATOM 127 O PRO A 504 2.984 -7.788 6.753 1.00 0.00 O ATOM 128 CB PRO A 504 5.733 -8.869 5.671 1.00 0.00 C ATOM 129 CG PRO A 504 6.312 -8.456 4.362 1.00 0.00 C ATOM 130 CD PRO A 504 5.631 -9.301 3.322 1.00 0.00 C ATOM 0 HA PRO A 504 3.891 -10.050 5.974 1.00 0.00 H new ATOM 0 HB2 PRO A 504 5.782 -8.059 6.399 1.00 0.00 H new ATOM 0 HB3 PRO A 504 6.276 -9.713 6.096 1.00 0.00 H new ATOM 0 HG2 PRO A 504 6.140 -7.396 4.177 1.00 0.00 H new ATOM 0 HG3 PRO A 504 7.391 -8.612 4.346 1.00 0.00 H new ATOM 0 HD2 PRO A 504 5.511 -8.762 2.382 1.00 0.00 H new ATOM 0 HD3 PRO A 504 6.201 -10.203 3.101 1.00 0.00 H new ATOM 138 N PHE A 505 2.993 -7.357 4.545 1.00 0.00 N ATOM 139 CA PHE A 505 2.112 -6.200 4.656 1.00 0.00 C ATOM 140 C PHE A 505 0.691 -6.557 4.232 1.00 0.00 C ATOM 141 O PHE A 505 0.248 -6.199 3.141 1.00 0.00 O ATOM 142 CB PHE A 505 2.638 -5.048 3.798 1.00 0.00 C ATOM 143 CG PHE A 505 4.025 -4.608 4.170 1.00 0.00 C ATOM 144 CD1 PHE A 505 4.233 -3.770 5.254 1.00 0.00 C ATOM 145 CD2 PHE A 505 5.121 -5.032 3.436 1.00 0.00 C ATOM 146 CE1 PHE A 505 5.509 -3.363 5.598 1.00 0.00 C ATOM 147 CE2 PHE A 505 6.399 -4.629 3.776 1.00 0.00 C ATOM 148 CZ PHE A 505 6.593 -3.794 4.859 1.00 0.00 C ATOM 0 H PHE A 505 3.293 -7.568 3.593 1.00 0.00 H new ATOM 0 HA PHE A 505 2.093 -5.887 5.700 1.00 0.00 H new ATOM 0 HB2 PHE A 505 2.630 -5.352 2.751 1.00 0.00 H new ATOM 0 HB3 PHE A 505 1.960 -4.199 3.888 1.00 0.00 H new ATOM 0 HD1 PHE A 505 3.389 -3.431 5.837 1.00 0.00 H new ATOM 0 HD2 PHE A 505 4.975 -5.685 2.588 1.00 0.00 H new ATOM 0 HE1 PHE A 505 5.658 -2.708 6.444 1.00 0.00 H new ATOM 0 HE2 PHE A 505 7.245 -4.967 3.195 1.00 0.00 H new ATOM 0 HZ PHE A 505 7.591 -3.479 5.127 1.00 0.00 H new ATOM 158 N ASP A 506 -0.020 -7.266 5.103 1.00 0.00 N ATOM 159 CA ASP A 506 -1.392 -7.671 4.821 1.00 0.00 C ATOM 160 C ASP A 506 -2.379 -6.877 5.671 1.00 0.00 C ATOM 161 O ASP A 506 -2.291 -6.870 6.899 1.00 0.00 O ATOM 162 CB ASP A 506 -1.567 -9.169 5.078 1.00 0.00 C ATOM 163 CG ASP A 506 -0.791 -9.642 6.292 1.00 0.00 C ATOM 164 OD1 ASP A 506 0.428 -9.879 6.162 1.00 0.00 O ATOM 165 OD2 ASP A 506 -1.404 -9.774 7.372 1.00 0.00 O ATOM 0 H ASP A 506 0.332 -7.572 6.010 1.00 0.00 H new ATOM 0 HA ASP A 506 -1.597 -7.464 3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 506 -2.625 -9.390 5.218 1.00 0.00 H new ATOM 0 HB3 ASP A 506 -1.239 -9.726 4.201 1.00 0.00 H new ATOM 170 N CYS A 507 -3.318 -6.209 5.009 1.00 0.00 N ATOM 171 CA CYS A 507 -4.321 -5.411 5.702 1.00 0.00 C ATOM 172 C CYS A 507 -5.075 -6.254 6.727 1.00 0.00 C ATOM 173 O CYS A 507 -5.758 -7.215 6.372 1.00 0.00 O ATOM 174 CB CYS A 507 -5.306 -4.807 4.699 1.00 0.00 C ATOM 175 SG CYS A 507 -6.378 -3.510 5.397 1.00 0.00 S ATOM 0 H CYS A 507 -3.405 -6.205 3.993 1.00 0.00 H new ATOM 0 HA CYS A 507 -3.808 -4.605 6.227 1.00 0.00 H new ATOM 0 HB2 CYS A 507 -4.746 -4.389 3.863 1.00 0.00 H new ATOM 0 HB3 CYS A 507 -5.932 -5.603 4.297 1.00 0.00 H new ATOM 180 N ILE A 508 -4.946 -5.887 7.997 1.00 0.00 N ATOM 181 CA ILE A 508 -5.615 -6.608 9.072 1.00 0.00 C ATOM 182 C ILE A 508 -7.059 -6.142 9.231 1.00 0.00 C ATOM 183 O ILE A 508 -7.855 -6.779 9.920 1.00 0.00 O ATOM 184 CB ILE A 508 -4.880 -6.430 10.413 1.00 0.00 C ATOM 185 CG1 ILE A 508 -4.794 -4.947 10.780 1.00 0.00 C ATOM 186 CG2 ILE A 508 -3.490 -7.045 10.341 1.00 0.00 C ATOM 187 CD1 ILE A 508 -4.369 -4.702 12.211 1.00 0.00 C ATOM 0 H ILE A 508 -4.384 -5.094 8.307 1.00 0.00 H new ATOM 0 HA ILE A 508 -5.604 -7.663 8.798 1.00 0.00 H new ATOM 0 HB ILE A 508 -5.444 -6.945 11.191 1.00 0.00 H new ATOM 0 HG12 ILE A 508 -4.088 -4.456 10.111 1.00 0.00 H new ATOM 0 HG13 ILE A 508 -5.766 -4.483 10.614 1.00 0.00 H new ATOM 0 HG21 ILE A 508 -2.983 -6.911 11.297 1.00 0.00 H new ATOM 0 HG22 ILE A 508 -3.574 -8.109 10.121 1.00 0.00 H new ATOM 0 HG23 ILE A 508 -2.916 -6.556 9.554 1.00 0.00 H new ATOM 0 HD11 ILE A 508 -4.330 -3.629 12.400 1.00 0.00 H new ATOM 0 HD12 ILE A 508 -5.088 -5.164 12.888 1.00 0.00 H new ATOM 0 HD13 ILE A 508 -3.383 -5.136 12.377 1.00 0.00 H new ATOM 199 N ASP A 509 -7.389 -5.028 8.588 1.00 0.00 N ATOM 200 CA ASP A 509 -8.738 -4.477 8.655 1.00 0.00 C ATOM 201 C ASP A 509 -9.717 -5.342 7.868 1.00 0.00 C ATOM 202 O ASP A 509 -10.784 -5.702 8.367 1.00 0.00 O ATOM 203 CB ASP A 509 -8.755 -3.046 8.116 1.00 0.00 C ATOM 204 CG ASP A 509 -7.681 -2.178 8.743 1.00 0.00 C ATOM 205 OD1 ASP A 509 -6.502 -2.321 8.357 1.00 0.00 O ATOM 206 OD2 ASP A 509 -8.020 -1.356 9.620 1.00 0.00 O ATOM 0 H ASP A 509 -6.741 -4.488 8.014 1.00 0.00 H new ATOM 0 HA ASP A 509 -9.048 -4.467 9.700 1.00 0.00 H new ATOM 0 HB2 ASP A 509 -8.616 -3.066 7.035 1.00 0.00 H new ATOM 0 HB3 ASP A 509 -9.733 -2.602 8.304 1.00 0.00 H new ATOM 211 N CYS A 510 -9.349 -5.671 6.635 1.00 0.00 N ATOM 212 CA CYS A 510 -10.195 -6.492 5.777 1.00 0.00 C ATOM 213 C CYS A 510 -9.587 -7.877 5.578 1.00 0.00 C ATOM 214 O CYS A 510 -10.302 -8.876 5.502 1.00 0.00 O ATOM 215 CB CYS A 510 -10.396 -5.811 4.421 1.00 0.00 C ATOM 216 SG CYS A 510 -8.844 -5.383 3.568 1.00 0.00 S ATOM 0 H CYS A 510 -8.470 -5.381 6.207 1.00 0.00 H new ATOM 0 HA CYS A 510 -11.163 -6.606 6.266 1.00 0.00 H new ATOM 0 HB2 CYS A 510 -10.982 -6.469 3.779 1.00 0.00 H new ATOM 0 HB3 CYS A 510 -10.981 -4.903 4.565 1.00 0.00 H new ATOM 221 N GLY A 511 -8.261 -7.929 5.494 1.00 0.00 N ATOM 222 CA GLY A 511 -7.579 -9.196 5.305 1.00 0.00 C ATOM 223 C GLY A 511 -6.865 -9.276 3.970 1.00 0.00 C ATOM 224 O GLY A 511 -6.557 -10.366 3.486 1.00 0.00 O ATOM 0 H GLY A 511 -7.647 -7.117 5.553 1.00 0.00 H new ATOM 0 HA2 GLY A 511 -6.857 -9.340 6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 511 -8.302 -10.009 5.376 1.00 0.00 H new ATOM 228 N LYS A 512 -6.602 -8.120 3.371 1.00 0.00 N ATOM 229 CA LYS A 512 -5.920 -8.062 2.083 1.00 0.00 C ATOM 230 C LYS A 512 -4.426 -8.318 2.247 1.00 0.00 C ATOM 231 O LYS A 512 -3.915 -8.376 3.365 1.00 0.00 O ATOM 232 CB LYS A 512 -6.146 -6.700 1.424 1.00 0.00 C ATOM 233 CG LYS A 512 -7.332 -6.672 0.475 1.00 0.00 C ATOM 234 CD LYS A 512 -7.090 -5.732 -0.694 1.00 0.00 C ATOM 235 CE LYS A 512 -6.005 -6.262 -1.619 1.00 0.00 C ATOM 236 NZ LYS A 512 -6.578 -6.976 -2.794 1.00 0.00 N ATOM 0 H LYS A 512 -6.851 -7.209 3.757 1.00 0.00 H new ATOM 0 HA LYS A 512 -6.336 -8.841 1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 512 -6.295 -5.950 2.201 1.00 0.00 H new ATOM 0 HB3 LYS A 512 -5.247 -6.417 0.877 1.00 0.00 H new ATOM 0 HG2 LYS A 512 -7.523 -7.678 0.101 1.00 0.00 H new ATOM 0 HG3 LYS A 512 -8.225 -6.358 1.016 1.00 0.00 H new ATOM 0 HD2 LYS A 512 -8.016 -5.601 -1.255 1.00 0.00 H new ATOM 0 HD3 LYS A 512 -6.802 -4.750 -0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 512 -5.385 -5.434 -1.964 1.00 0.00 H new ATOM 0 HE3 LYS A 512 -5.354 -6.938 -1.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 512 -5.807 -7.322 -3.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 512 -7.149 -7.781 -2.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 512 -7.179 -6.324 -3.337 1.00 0.00 H new ATOM 250 N ALA A 513 -3.729 -8.469 1.125 1.00 0.00 N ATOM 251 CA ALA A 513 -2.293 -8.714 1.144 1.00 0.00 C ATOM 252 C ALA A 513 -1.556 -7.735 0.237 1.00 0.00 C ATOM 253 O ALA A 513 -2.039 -7.387 -0.840 1.00 0.00 O ATOM 254 CB ALA A 513 -1.997 -10.147 0.728 1.00 0.00 C ATOM 0 H ALA A 513 -4.137 -8.426 0.191 1.00 0.00 H new ATOM 0 HA ALA A 513 -1.937 -8.562 2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 513 -0.920 -10.316 0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 513 -2.484 -10.835 1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 513 -2.374 -10.318 -0.280 1.00 0.00 H new ATOM 260 N PHE A 514 -0.384 -7.292 0.681 1.00 0.00 N ATOM 261 CA PHE A 514 0.419 -6.351 -0.091 1.00 0.00 C ATOM 262 C PHE A 514 1.909 -6.619 0.104 1.00 0.00 C ATOM 263 O PHE A 514 2.345 -7.004 1.189 1.00 0.00 O ATOM 264 CB PHE A 514 0.091 -4.913 0.318 1.00 0.00 C ATOM 265 CG PHE A 514 -1.366 -4.572 0.193 1.00 0.00 C ATOM 266 CD1 PHE A 514 -2.234 -4.789 1.251 1.00 0.00 C ATOM 267 CD2 PHE A 514 -1.868 -4.035 -0.981 1.00 0.00 C ATOM 268 CE1 PHE A 514 -3.576 -4.477 1.139 1.00 0.00 C ATOM 269 CE2 PHE A 514 -3.209 -3.721 -1.099 1.00 0.00 C ATOM 270 CZ PHE A 514 -4.064 -3.941 -0.037 1.00 0.00 C ATOM 0 H PHE A 514 0.030 -7.569 1.571 1.00 0.00 H new ATOM 0 HA PHE A 514 0.178 -6.486 -1.145 1.00 0.00 H new ATOM 0 HB2 PHE A 514 0.405 -4.757 1.350 1.00 0.00 H new ATOM 0 HB3 PHE A 514 0.671 -4.227 -0.299 1.00 0.00 H new ATOM 0 HD1 PHE A 514 -1.858 -5.206 2.173 1.00 0.00 H new ATOM 0 HD2 PHE A 514 -1.204 -3.860 -1.814 1.00 0.00 H new ATOM 0 HE1 PHE A 514 -4.243 -4.652 1.970 1.00 0.00 H new ATOM 0 HE2 PHE A 514 -3.588 -3.304 -2.021 1.00 0.00 H new ATOM 0 HZ PHE A 514 -5.112 -3.695 -0.126 1.00 0.00 H new ATOM 280 N SER A 515 2.684 -6.414 -0.956 1.00 0.00 N ATOM 281 CA SER A 515 4.124 -6.638 -0.905 1.00 0.00 C ATOM 282 C SER A 515 4.876 -5.316 -0.783 1.00 0.00 C ATOM 283 O SER A 515 5.937 -5.136 -1.381 1.00 0.00 O ATOM 284 CB SER A 515 4.590 -7.390 -2.153 1.00 0.00 C ATOM 285 OG SER A 515 3.874 -6.967 -3.300 1.00 0.00 O ATOM 0 H SER A 515 2.339 -6.093 -1.861 1.00 0.00 H new ATOM 0 HA SER A 515 4.341 -7.242 -0.024 1.00 0.00 H new ATOM 0 HB2 SER A 515 5.657 -7.224 -2.304 1.00 0.00 H new ATOM 0 HB3 SER A 515 4.452 -8.462 -2.009 1.00 0.00 H new ATOM 0 HG SER A 515 4.191 -7.461 -4.084 1.00 0.00 H new ATOM 291 N ASP A 516 4.317 -4.395 -0.007 1.00 0.00 N ATOM 292 CA ASP A 516 4.934 -3.088 0.195 1.00 0.00 C ATOM 293 C ASP A 516 4.140 -2.262 1.201 1.00 0.00 C ATOM 294 O ASP A 516 2.916 -2.156 1.106 1.00 0.00 O ATOM 295 CB ASP A 516 5.034 -2.338 -1.134 1.00 0.00 C ATOM 296 CG ASP A 516 3.855 -2.616 -2.046 1.00 0.00 C ATOM 297 OD1 ASP A 516 2.726 -2.754 -1.531 1.00 0.00 O ATOM 298 OD2 ASP A 516 4.062 -2.696 -3.276 1.00 0.00 O ATOM 0 H ASP A 516 3.438 -4.528 0.493 1.00 0.00 H new ATOM 0 HA ASP A 516 5.937 -3.244 0.592 1.00 0.00 H new ATOM 0 HB2 ASP A 516 5.095 -1.267 -0.940 1.00 0.00 H new ATOM 0 HB3 ASP A 516 5.956 -2.623 -1.640 1.00 0.00 H new ATOM 303 N HIS A 517 4.843 -1.679 2.167 1.00 0.00 N ATOM 304 CA HIS A 517 4.203 -0.863 3.192 1.00 0.00 C ATOM 305 C HIS A 517 3.299 0.191 2.561 1.00 0.00 C ATOM 306 O HIS A 517 2.115 0.283 2.888 1.00 0.00 O ATOM 307 CB HIS A 517 5.259 -0.187 4.068 1.00 0.00 C ATOM 308 CG HIS A 517 4.779 1.072 4.721 1.00 0.00 C ATOM 309 ND1 HIS A 517 5.257 2.322 4.389 1.00 0.00 N ATOM 310 CD2 HIS A 517 3.856 1.270 5.692 1.00 0.00 C ATOM 311 CE1 HIS A 517 4.650 3.234 5.128 1.00 0.00 C ATOM 312 NE2 HIS A 517 3.795 2.621 5.927 1.00 0.00 N ATOM 0 H HIS A 517 5.856 -1.757 2.261 1.00 0.00 H new ATOM 0 HA HIS A 517 3.591 -1.517 3.813 1.00 0.00 H new ATOM 0 HB2 HIS A 517 5.581 -0.887 4.839 1.00 0.00 H new ATOM 0 HB3 HIS A 517 6.134 0.040 3.458 1.00 0.00 H new ATOM 0 HD2 HIS A 517 3.276 0.507 6.189 1.00 0.00 H new ATOM 0 HE1 HIS A 517 4.823 4.299 5.086 1.00 0.00 H new ATOM 0 HE2 HIS A 517 3.188 3.077 6.608 1.00 0.00 H new ATOM 320 N ILE A 518 3.863 0.984 1.657 1.00 0.00 N ATOM 321 CA ILE A 518 3.107 2.031 0.981 1.00 0.00 C ATOM 322 C ILE A 518 1.820 1.478 0.380 1.00 0.00 C ATOM 323 O ILE A 518 0.741 2.037 0.575 1.00 0.00 O ATOM 324 CB ILE A 518 3.937 2.695 -0.134 1.00 0.00 C ATOM 325 CG1 ILE A 518 5.182 3.361 0.455 1.00 0.00 C ATOM 326 CG2 ILE A 518 3.094 3.710 -0.890 1.00 0.00 C ATOM 327 CD1 ILE A 518 4.869 4.409 1.501 1.00 0.00 C ATOM 0 H ILE A 518 4.841 0.922 1.375 1.00 0.00 H new ATOM 0 HA ILE A 518 2.862 2.779 1.734 1.00 0.00 H new ATOM 0 HB ILE A 518 4.257 1.925 -0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 518 5.818 2.595 0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 518 5.753 3.823 -0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 518 3.695 4.170 -1.674 1.00 0.00 H new ATOM 0 HG22 ILE A 518 2.236 3.209 -1.337 1.00 0.00 H new ATOM 0 HG23 ILE A 518 2.746 4.480 -0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 518 5.798 4.839 1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 518 4.258 5.195 1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 518 4.325 3.949 2.326 1.00 0.00 H new ATOM 339 N GLY A 519 1.940 0.374 -0.351 1.00 0.00 N ATOM 340 CA GLY A 519 0.778 -0.238 -0.968 1.00 0.00 C ATOM 341 C GLY A 519 -0.307 -0.568 0.038 1.00 0.00 C ATOM 342 O GLY A 519 -1.495 -0.416 -0.247 1.00 0.00 O ATOM 0 H GLY A 519 2.822 -0.108 -0.527 1.00 0.00 H new ATOM 0 HA2 GLY A 519 0.375 0.436 -1.724 1.00 0.00 H new ATOM 0 HA3 GLY A 519 1.082 -1.150 -1.482 1.00 0.00 H new ATOM 346 N LEU A 520 0.102 -1.021 1.218 1.00 0.00 N ATOM 347 CA LEU A 520 -0.844 -1.375 2.271 1.00 0.00 C ATOM 348 C LEU A 520 -1.475 -0.127 2.879 1.00 0.00 C ATOM 349 O LEU A 520 -2.697 0.021 2.891 1.00 0.00 O ATOM 350 CB LEU A 520 -0.144 -2.189 3.361 1.00 0.00 C ATOM 351 CG LEU A 520 -0.888 -2.309 4.691 1.00 0.00 C ATOM 352 CD1 LEU A 520 -2.269 -2.911 4.478 1.00 0.00 C ATOM 353 CD2 LEU A 520 -0.086 -3.146 5.677 1.00 0.00 C ATOM 0 H LEU A 520 1.082 -1.152 1.470 1.00 0.00 H new ATOM 0 HA LEU A 520 -1.635 -1.979 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 520 0.037 -3.193 2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 520 0.831 -1.740 3.552 1.00 0.00 H new ATOM 0 HG LEU A 520 -1.010 -1.310 5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 520 -2.784 -2.989 5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 520 -2.845 -2.273 3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 520 -2.169 -3.903 4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 520 -0.631 -3.221 6.618 1.00 0.00 H new ATOM 0 HD22 LEU A 520 0.068 -4.144 5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 520 0.880 -2.674 5.854 1.00 0.00 H new ATOM 365 N ASN A 521 -0.633 0.771 3.381 1.00 0.00 N ATOM 366 CA ASN A 521 -1.109 2.008 3.989 1.00 0.00 C ATOM 367 C ASN A 521 -2.057 2.747 3.050 1.00 0.00 C ATOM 368 O ASN A 521 -3.137 3.177 3.455 1.00 0.00 O ATOM 369 CB ASN A 521 0.073 2.910 4.351 1.00 0.00 C ATOM 370 CG ASN A 521 -0.213 3.782 5.558 1.00 0.00 C ATOM 371 OD1 ASN A 521 -1.332 3.804 6.070 1.00 0.00 O ATOM 372 ND2 ASN A 521 0.800 4.506 6.018 1.00 0.00 N ATOM 0 H ASN A 521 0.381 0.665 3.379 1.00 0.00 H new ATOM 0 HA ASN A 521 -1.654 1.751 4.897 1.00 0.00 H new ATOM 0 HB2 ASN A 521 0.949 2.293 4.551 1.00 0.00 H new ATOM 0 HB3 ASN A 521 0.317 3.544 3.498 1.00 0.00 H new ATOM 0 HD21 ASN A 521 0.667 5.112 6.828 1.00 0.00 H new ATOM 0 HD22 ASN A 521 1.711 4.456 5.562 1.00 0.00 H new ATOM 379 N GLN A 522 -1.646 2.889 1.794 1.00 0.00 N ATOM 380 CA GLN A 522 -2.460 3.575 0.797 1.00 0.00 C ATOM 381 C GLN A 522 -3.826 2.913 0.659 1.00 0.00 C ATOM 382 O GLN A 522 -4.801 3.553 0.264 1.00 0.00 O ATOM 383 CB GLN A 522 -1.746 3.585 -0.556 1.00 0.00 C ATOM 384 CG GLN A 522 -0.900 4.827 -0.789 1.00 0.00 C ATOM 385 CD GLN A 522 -1.698 5.974 -1.378 1.00 0.00 C ATOM 386 OE1 GLN A 522 -2.839 5.797 -1.804 1.00 0.00 O ATOM 387 NE2 GLN A 522 -1.100 7.159 -1.404 1.00 0.00 N ATOM 0 H GLN A 522 -0.755 2.538 1.443 1.00 0.00 H new ATOM 0 HA GLN A 522 -2.607 4.602 1.130 1.00 0.00 H new ATOM 0 HB2 GLN A 522 -1.109 2.703 -0.628 1.00 0.00 H new ATOM 0 HB3 GLN A 522 -2.489 3.507 -1.350 1.00 0.00 H new ATOM 0 HG2 GLN A 522 -0.459 5.144 0.156 1.00 0.00 H new ATOM 0 HG3 GLN A 522 -0.076 4.581 -1.459 1.00 0.00 H new ATOM 0 HE21 GLN A 522 -0.153 7.260 -1.040 1.00 0.00 H new ATOM 0 HE22 GLN A 522 -1.588 7.968 -1.788 1.00 0.00 H new ATOM 396 N HIS A 523 -3.890 1.626 0.987 1.00 0.00 N ATOM 397 CA HIS A 523 -5.138 0.876 0.900 1.00 0.00 C ATOM 398 C HIS A 523 -5.957 1.035 2.177 1.00 0.00 C ATOM 399 O HIS A 523 -7.188 1.012 2.144 1.00 0.00 O ATOM 400 CB HIS A 523 -4.851 -0.604 0.645 1.00 0.00 C ATOM 401 CG HIS A 523 -6.001 -1.504 0.981 1.00 0.00 C ATOM 402 ND1 HIS A 523 -7.003 -1.811 0.085 1.00 0.00 N ATOM 403 CD2 HIS A 523 -6.303 -2.164 2.123 1.00 0.00 C ATOM 404 CE1 HIS A 523 -7.873 -2.621 0.662 1.00 0.00 C ATOM 405 NE2 HIS A 523 -7.471 -2.851 1.899 1.00 0.00 N ATOM 0 H HIS A 523 -3.093 1.081 1.315 1.00 0.00 H new ATOM 0 HA HIS A 523 -5.716 1.275 0.067 1.00 0.00 H new ATOM 0 HB2 HIS A 523 -4.589 -0.739 -0.404 1.00 0.00 H new ATOM 0 HB3 HIS A 523 -3.982 -0.904 1.232 1.00 0.00 H new ATOM 0 HD1 HIS A 523 -7.063 -1.467 -0.873 1.00 0.00 H new ATOM 0 HD2 HIS A 523 -5.732 -2.153 3.040 1.00 0.00 H new ATOM 0 HE1 HIS A 523 -8.762 -3.026 0.201 1.00 0.00 H new ATOM 413 N ARG A 524 -5.267 1.194 3.302 1.00 0.00 N ATOM 414 CA ARG A 524 -5.931 1.355 4.590 1.00 0.00 C ATOM 415 C ARG A 524 -6.735 2.651 4.629 1.00 0.00 C ATOM 416 O ARG A 524 -7.576 2.845 5.508 1.00 0.00 O ATOM 417 CB ARG A 524 -4.902 1.345 5.722 1.00 0.00 C ATOM 418 CG ARG A 524 -4.598 -0.045 6.257 1.00 0.00 C ATOM 419 CD ARG A 524 -3.201 -0.118 6.853 1.00 0.00 C ATOM 420 NE ARG A 524 -3.080 0.687 8.065 1.00 0.00 N ATOM 421 CZ ARG A 524 -2.016 0.664 8.860 1.00 0.00 C ATOM 422 NH1 ARG A 524 -0.986 -0.120 8.572 1.00 0.00 N ATOM 423 NH2 ARG A 524 -1.980 1.426 9.945 1.00 0.00 N ATOM 0 H ARG A 524 -4.248 1.215 3.347 1.00 0.00 H new ATOM 0 HA ARG A 524 -6.617 0.519 4.725 1.00 0.00 H new ATOM 0 HB2 ARG A 524 -3.977 1.798 5.365 1.00 0.00 H new ATOM 0 HB3 ARG A 524 -5.267 1.968 6.539 1.00 0.00 H new ATOM 0 HG2 ARG A 524 -5.333 -0.313 7.016 1.00 0.00 H new ATOM 0 HG3 ARG A 524 -4.690 -0.774 5.452 1.00 0.00 H new ATOM 0 HD2 ARG A 524 -2.958 -1.156 7.081 1.00 0.00 H new ATOM 0 HD3 ARG A 524 -2.474 0.225 6.116 1.00 0.00 H new ATOM 0 HE ARG A 524 -3.855 1.301 8.315 1.00 0.00 H new ATOM 0 HH11 ARG A 524 -1.010 -0.707 7.738 1.00 0.00 H new ATOM 0 HH12 ARG A 524 -0.170 -0.136 9.184 1.00 0.00 H new ATOM 0 HH21 ARG A 524 -2.770 2.031 10.170 1.00 0.00 H new ATOM 0 HH22 ARG A 524 -1.162 1.407 10.554 1.00 0.00 H new ATOM 437 N ARG A 525 -6.470 3.535 3.673 1.00 0.00 N ATOM 438 CA ARG A 525 -7.168 4.813 3.599 1.00 0.00 C ATOM 439 C ARG A 525 -8.679 4.606 3.564 1.00 0.00 C ATOM 440 O ARG A 525 -9.444 5.477 3.980 1.00 0.00 O ATOM 441 CB ARG A 525 -6.720 5.592 2.361 1.00 0.00 C ATOM 442 CG ARG A 525 -5.226 5.871 2.325 1.00 0.00 C ATOM 443 CD ARG A 525 -4.882 6.929 1.288 1.00 0.00 C ATOM 444 NE ARG A 525 -5.253 8.270 1.731 1.00 0.00 N ATOM 445 CZ ARG A 525 -4.549 8.975 2.609 1.00 0.00 C ATOM 446 NH1 ARG A 525 -3.442 8.469 3.135 1.00 0.00 N ATOM 447 NH2 ARG A 525 -4.950 10.190 2.961 1.00 0.00 N ATOM 0 H ARG A 525 -5.777 3.390 2.939 1.00 0.00 H new ATOM 0 HA ARG A 525 -6.918 5.387 4.491 1.00 0.00 H new ATOM 0 HB2 ARG A 525 -6.998 5.031 1.469 1.00 0.00 H new ATOM 0 HB3 ARG A 525 -7.259 6.539 2.323 1.00 0.00 H new ATOM 0 HG2 ARG A 525 -4.893 6.202 3.309 1.00 0.00 H new ATOM 0 HG3 ARG A 525 -4.688 4.950 2.099 1.00 0.00 H new ATOM 0 HD2 ARG A 525 -3.812 6.899 1.080 1.00 0.00 H new ATOM 0 HD3 ARG A 525 -5.395 6.701 0.354 1.00 0.00 H new ATOM 0 HE ARG A 525 -6.099 8.688 1.345 1.00 0.00 H new ATOM 0 HH11 ARG A 525 -3.129 7.536 2.865 1.00 0.00 H new ATOM 0 HH12 ARG A 525 -2.903 9.013 3.809 1.00 0.00 H new ATOM 0 HH21 ARG A 525 -5.800 10.584 2.557 1.00 0.00 H new ATOM 0 HH22 ARG A 525 -4.408 10.730 3.636 1.00 0.00 H new ATOM 461 N ILE A 526 -9.101 3.449 3.065 1.00 0.00 N ATOM 462 CA ILE A 526 -10.521 3.129 2.977 1.00 0.00 C ATOM 463 C ILE A 526 -11.105 2.837 4.354 1.00 0.00 C ATOM 464 O ILE A 526 -12.293 3.058 4.596 1.00 0.00 O ATOM 465 CB ILE A 526 -10.768 1.916 2.059 1.00 0.00 C ATOM 466 CG1 ILE A 526 -10.307 0.628 2.745 1.00 0.00 C ATOM 467 CG2 ILE A 526 -10.050 2.102 0.731 1.00 0.00 C ATOM 468 CD1 ILE A 526 -10.437 -0.600 1.872 1.00 0.00 C ATOM 0 H ILE A 526 -8.481 2.718 2.716 1.00 0.00 H new ATOM 0 HA ILE A 526 -11.016 4.003 2.553 1.00 0.00 H new ATOM 0 HB ILE A 526 -11.837 1.838 1.863 1.00 0.00 H new ATOM 0 HG12 ILE A 526 -9.266 0.740 3.048 1.00 0.00 H new ATOM 0 HG13 ILE A 526 -10.890 0.481 3.654 1.00 0.00 H new ATOM 0 HG21 ILE A 526 -10.234 1.237 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 526 -10.422 3.001 0.239 1.00 0.00 H new ATOM 0 HG23 ILE A 526 -8.979 2.201 0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 526 -10.092 -1.476 2.422 1.00 0.00 H new ATOM 0 HD12 ILE A 526 -11.481 -0.737 1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 526 -9.832 -0.474 0.974 1.00 0.00 H new ATOM 480 N HIS A 527 -10.263 2.341 5.256 1.00 0.00 N ATOM 481 CA HIS A 527 -10.696 2.022 6.611 1.00 0.00 C ATOM 482 C HIS A 527 -10.477 3.208 7.546 1.00 0.00 C ATOM 483 O HIS A 527 -11.348 3.551 8.346 1.00 0.00 O ATOM 484 CB HIS A 527 -9.942 0.799 7.135 1.00 0.00 C ATOM 485 CG HIS A 527 -9.933 -0.354 6.179 1.00 0.00 C ATOM 486 ND1 HIS A 527 -11.079 -1.000 5.769 1.00 0.00 N ATOM 487 CD2 HIS A 527 -8.907 -0.974 5.551 1.00 0.00 C ATOM 488 CE1 HIS A 527 -10.759 -1.970 4.930 1.00 0.00 C ATOM 489 NE2 HIS A 527 -9.447 -1.975 4.781 1.00 0.00 N ATOM 0 H HIS A 527 -9.278 2.152 5.072 1.00 0.00 H new ATOM 0 HA HIS A 527 -11.762 1.798 6.581 1.00 0.00 H new ATOM 0 HB2 HIS A 527 -8.914 1.084 7.357 1.00 0.00 H new ATOM 0 HB3 HIS A 527 -10.394 0.479 8.074 1.00 0.00 H new ATOM 0 HD1 HIS A 527 -12.026 -0.766 6.066 1.00 0.00 H new ATOM 0 HD2 HIS A 527 -7.859 -0.728 5.639 1.00 0.00 H new ATOM 0 HE1 HIS A 527 -11.452 -2.644 4.448 1.00 0.00 H new ATOM 497 N THR A 528 -9.308 3.831 7.439 1.00 0.00 N ATOM 498 CA THR A 528 -8.973 4.977 8.275 1.00 0.00 C ATOM 499 C THR A 528 -9.740 6.220 7.836 1.00 0.00 C ATOM 500 O THR A 528 -10.341 6.244 6.764 1.00 0.00 O ATOM 501 CB THR A 528 -7.463 5.279 8.236 1.00 0.00 C ATOM 502 OG1 THR A 528 -7.107 5.834 6.965 1.00 0.00 O ATOM 503 CG2 THR A 528 -6.653 4.017 8.490 1.00 0.00 C ATOM 0 H THR A 528 -8.577 3.561 6.781 1.00 0.00 H new ATOM 0 HA THR A 528 -9.258 4.718 9.295 1.00 0.00 H new ATOM 0 HB THR A 528 -7.238 6.000 9.022 1.00 0.00 H new ATOM 0 HG1 THR A 528 -6.146 6.025 6.949 1.00 0.00 H new ATOM 0 HG21 THR A 528 -5.590 4.254 8.458 1.00 0.00 H new ATOM 0 HG22 THR A 528 -6.905 3.614 9.471 1.00 0.00 H new ATOM 0 HG23 THR A 528 -6.883 3.277 7.724 1.00 0.00 H new ATOM 511 N GLY A 529 -9.713 7.253 8.674 1.00 0.00 N ATOM 512 CA GLY A 529 -10.409 8.485 8.354 1.00 0.00 C ATOM 513 C GLY A 529 -11.697 8.644 9.138 1.00 0.00 C ATOM 514 O GLY A 529 -11.671 8.827 10.354 1.00 0.00 O ATOM 0 H GLY A 529 -9.222 7.258 9.568 1.00 0.00 H new ATOM 0 HA2 GLY A 529 -9.755 9.332 8.560 1.00 0.00 H new ATOM 0 HA3 GLY A 529 -10.632 8.506 7.287 1.00 0.00 H new ATOM 518 N GLU A 530 -12.825 8.576 8.439 1.00 0.00 N ATOM 519 CA GLU A 530 -14.128 8.717 9.079 1.00 0.00 C ATOM 520 C GLU A 530 -14.260 7.761 10.261 1.00 0.00 C ATOM 521 O GLU A 530 -13.629 6.704 10.294 1.00 0.00 O ATOM 522 CB GLU A 530 -15.248 8.454 8.069 1.00 0.00 C ATOM 523 CG GLU A 530 -15.428 6.984 7.728 1.00 0.00 C ATOM 524 CD GLU A 530 -14.212 6.392 7.041 1.00 0.00 C ATOM 525 OE1 GLU A 530 -13.892 6.832 5.917 1.00 0.00 O ATOM 526 OE2 GLU A 530 -13.582 5.488 7.628 1.00 0.00 O ATOM 0 H GLU A 530 -12.863 8.424 7.431 1.00 0.00 H new ATOM 0 HA GLU A 530 -14.214 9.739 9.449 1.00 0.00 H new ATOM 0 HB2 GLU A 530 -16.185 8.843 8.469 1.00 0.00 H new ATOM 0 HB3 GLU A 530 -15.038 9.007 7.154 1.00 0.00 H new ATOM 0 HG2 GLU A 530 -15.633 6.425 8.641 1.00 0.00 H new ATOM 0 HG3 GLU A 530 -16.298 6.869 7.082 1.00 0.00 H new ATOM 533 N LYS A 531 -15.085 8.139 11.231 1.00 0.00 N ATOM 534 CA LYS A 531 -15.302 7.318 12.416 1.00 0.00 C ATOM 535 C LYS A 531 -16.719 7.498 12.951 1.00 0.00 C ATOM 536 O LYS A 531 -17.402 8.478 12.651 1.00 0.00 O ATOM 537 CB LYS A 531 -14.286 7.674 13.502 1.00 0.00 C ATOM 538 CG LYS A 531 -13.000 6.870 13.420 1.00 0.00 C ATOM 539 CD LYS A 531 -11.979 7.346 14.440 1.00 0.00 C ATOM 540 CE LYS A 531 -12.165 6.652 15.781 1.00 0.00 C ATOM 541 NZ LYS A 531 -11.653 7.478 16.909 1.00 0.00 N ATOM 0 H LYS A 531 -15.615 9.010 11.220 1.00 0.00 H new ATOM 0 HA LYS A 531 -15.170 6.274 12.133 1.00 0.00 H new ATOM 0 HB2 LYS A 531 -14.046 8.735 13.430 1.00 0.00 H new ATOM 0 HB3 LYS A 531 -14.742 7.516 14.480 1.00 0.00 H new ATOM 0 HG2 LYS A 531 -13.218 5.815 13.587 1.00 0.00 H new ATOM 0 HG3 LYS A 531 -12.581 6.954 12.417 1.00 0.00 H new ATOM 0 HD2 LYS A 531 -10.973 7.154 14.066 1.00 0.00 H new ATOM 0 HD3 LYS A 531 -12.070 8.424 14.571 1.00 0.00 H new ATOM 0 HE2 LYS A 531 -13.223 6.441 15.937 1.00 0.00 H new ATOM 0 HE3 LYS A 531 -11.647 5.693 15.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 531 -11.798 6.970 17.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 531 -10.638 7.659 16.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 531 -12.165 8.383 16.937 1.00 0.00 H new ATOM 555 N PRO A 532 -17.173 6.533 13.764 1.00 0.00 N ATOM 556 CA PRO A 532 -18.512 6.564 14.359 1.00 0.00 C ATOM 557 C PRO A 532 -18.651 7.654 15.416 1.00 0.00 C ATOM 558 O PRO A 532 -17.785 7.811 16.277 1.00 0.00 O ATOM 559 CB PRO A 532 -18.649 5.180 14.998 1.00 0.00 C ATOM 560 CG PRO A 532 -17.249 4.747 15.267 1.00 0.00 C ATOM 561 CD PRO A 532 -16.414 5.336 14.164 1.00 0.00 C ATOM 0 HA PRO A 532 -19.281 6.785 13.619 1.00 0.00 H new ATOM 0 HB2 PRO A 532 -19.233 5.224 15.917 1.00 0.00 H new ATOM 0 HB3 PRO A 532 -19.157 4.484 14.330 1.00 0.00 H new ATOM 0 HG2 PRO A 532 -16.912 5.099 16.242 1.00 0.00 H new ATOM 0 HG3 PRO A 532 -17.172 3.660 15.277 1.00 0.00 H new ATOM 0 HD2 PRO A 532 -15.413 5.592 14.511 1.00 0.00 H new ATOM 0 HD3 PRO A 532 -16.295 4.639 13.334 1.00 0.00 H new ATOM 569 N SER A 533 -19.746 8.405 15.346 1.00 0.00 N ATOM 570 CA SER A 533 -19.996 9.483 16.295 1.00 0.00 C ATOM 571 C SER A 533 -21.321 9.271 17.021 1.00 0.00 C ATOM 572 O SER A 533 -22.384 9.246 16.403 1.00 0.00 O ATOM 573 CB SER A 533 -20.007 10.833 15.575 1.00 0.00 C ATOM 574 OG SER A 533 -19.693 11.889 16.467 1.00 0.00 O ATOM 0 H SER A 533 -20.474 8.286 14.642 1.00 0.00 H new ATOM 0 HA SER A 533 -19.193 9.479 17.032 1.00 0.00 H new ATOM 0 HB2 SER A 533 -19.287 10.818 14.756 1.00 0.00 H new ATOM 0 HB3 SER A 533 -20.989 11.005 15.133 1.00 0.00 H new ATOM 0 HG SER A 533 -19.705 12.741 15.983 1.00 0.00 H new ATOM 580 N GLY A 534 -21.248 9.117 18.340 1.00 0.00 N ATOM 581 CA GLY A 534 -22.447 8.909 19.130 1.00 0.00 C ATOM 582 C GLY A 534 -22.176 8.128 20.401 1.00 0.00 C ATOM 583 O GLY A 534 -21.060 7.671 20.648 1.00 0.00 O ATOM 0 H GLY A 534 -20.380 9.133 18.875 1.00 0.00 H new ATOM 0 HA2 GLY A 534 -22.881 9.875 19.387 1.00 0.00 H new ATOM 0 HA3 GLY A 534 -23.185 8.377 18.531 1.00 0.00 H new ATOM 587 N PRO A 535 -23.215 7.968 21.235 1.00 0.00 N ATOM 588 CA PRO A 535 -23.107 7.239 22.502 1.00 0.00 C ATOM 589 C PRO A 535 -22.918 5.740 22.294 1.00 0.00 C ATOM 590 O PRO A 535 -23.699 5.097 21.593 1.00 0.00 O ATOM 591 CB PRO A 535 -24.448 7.518 23.187 1.00 0.00 C ATOM 592 CG PRO A 535 -25.390 7.809 22.070 1.00 0.00 C ATOM 593 CD PRO A 535 -24.573 8.487 21.005 1.00 0.00 C ATOM 0 HA PRO A 535 -22.241 7.557 23.083 1.00 0.00 H new ATOM 0 HB2 PRO A 535 -24.780 6.660 23.772 1.00 0.00 H new ATOM 0 HB3 PRO A 535 -24.374 8.362 23.873 1.00 0.00 H new ATOM 0 HG2 PRO A 535 -25.841 6.892 21.691 1.00 0.00 H new ATOM 0 HG3 PRO A 535 -26.205 8.451 22.404 1.00 0.00 H new ATOM 0 HD2 PRO A 535 -24.933 8.242 20.006 1.00 0.00 H new ATOM 0 HD3 PRO A 535 -24.610 9.572 21.100 1.00 0.00 H new ATOM 601 N SER A 536 -21.875 5.190 22.907 1.00 0.00 N ATOM 602 CA SER A 536 -21.581 3.766 22.786 1.00 0.00 C ATOM 603 C SER A 536 -22.754 2.925 23.279 1.00 0.00 C ATOM 604 O SER A 536 -23.493 3.335 24.174 1.00 0.00 O ATOM 605 CB SER A 536 -20.319 3.416 23.577 1.00 0.00 C ATOM 606 OG SER A 536 -20.542 3.535 24.972 1.00 0.00 O ATOM 0 H SER A 536 -21.220 5.708 23.492 1.00 0.00 H new ATOM 0 HA SER A 536 -21.415 3.542 21.732 1.00 0.00 H new ATOM 0 HB2 SER A 536 -20.008 2.398 23.341 1.00 0.00 H new ATOM 0 HB3 SER A 536 -19.504 4.075 23.278 1.00 0.00 H new ATOM 0 HG SER A 536 -19.721 3.304 25.455 1.00 0.00 H new ATOM 612 N SER A 537 -22.919 1.746 22.687 1.00 0.00 N ATOM 613 CA SER A 537 -24.004 0.848 23.062 1.00 0.00 C ATOM 614 C SER A 537 -23.480 -0.563 23.311 1.00 0.00 C ATOM 615 O SER A 537 -23.800 -1.495 22.575 1.00 0.00 O ATOM 616 CB SER A 537 -25.073 0.821 21.968 1.00 0.00 C ATOM 617 OG SER A 537 -24.532 0.373 20.737 1.00 0.00 O ATOM 0 H SER A 537 -22.315 1.391 21.946 1.00 0.00 H new ATOM 0 HA SER A 537 -24.448 1.220 23.985 1.00 0.00 H new ATOM 0 HB2 SER A 537 -25.890 0.166 22.270 1.00 0.00 H new ATOM 0 HB3 SER A 537 -25.494 1.818 21.842 1.00 0.00 H new ATOM 0 HG SER A 537 -24.133 -0.514 20.858 1.00 0.00 H new ATOM 623 N GLY A 538 -22.672 -0.711 24.357 1.00 0.00 N ATOM 624 CA GLY A 538 -22.115 -2.011 24.686 1.00 0.00 C ATOM 625 C GLY A 538 -22.103 -2.275 26.178 1.00 0.00 C ATOM 626 O GLY A 538 -22.910 -1.688 26.897 1.00 0.00 O ATOM 0 H GLY A 538 -22.393 0.045 24.982 1.00 0.00 H new ATOM 0 HA2 GLY A 538 -22.694 -2.788 24.187 1.00 0.00 H new ATOM 0 HA3 GLY A 538 -21.097 -2.075 24.300 1.00 0.00 H new TER 630 GLY A 538 HETATM 631 ZN ZN A 201 -8.154 -3.302 3.820 1.00 0.00 ZN