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 USER MOD Single : A 500 THR OG1 : rot 180:sc= 0.00547 USER MOD Single : A 503 LYS NZ :NH3+ -154:sc= -0.116 (180deg=-0.55) USER MOD Single : A 512 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 515 SER OG : rot -49:sc= 0.984 USER MOD Single : A 517 HIS : no HD1:sc= -0.0342 X(o=-0.034,f=-0.39) USER MOD Single : A 521 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 522 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.9!) USER MOD Single : A 528 THR OG1 : rot 180:sc= -0.226 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 493 -20.034 -22.176 -5.042 1.00 0.00 N ATOM 2 CA GLY A 493 -18.883 -22.922 -5.515 1.00 0.00 C ATOM 3 C GLY A 493 -17.817 -23.081 -4.450 1.00 0.00 C ATOM 4 O GLY A 493 -18.127 -23.304 -3.280 1.00 0.00 O ATOM 0 HA2 GLY A 493 -19.206 -23.907 -5.851 1.00 0.00 H new ATOM 0 HA3 GLY A 493 -18.455 -22.414 -6.380 1.00 0.00 H new ATOM 8 N SER A 494 -16.556 -22.967 -4.856 1.00 0.00 N ATOM 9 CA SER A 494 -15.439 -23.105 -3.928 1.00 0.00 C ATOM 10 C SER A 494 -14.293 -22.175 -4.315 1.00 0.00 C ATOM 11 O SER A 494 -14.108 -21.856 -5.489 1.00 0.00 O ATOM 12 CB SER A 494 -14.949 -24.554 -3.899 1.00 0.00 C ATOM 13 OG SER A 494 -14.658 -25.020 -5.205 1.00 0.00 O ATOM 0 H SER A 494 -16.282 -22.780 -5.821 1.00 0.00 H new ATOM 0 HA SER A 494 -15.788 -22.827 -2.933 1.00 0.00 H new ATOM 0 HB2 SER A 494 -14.057 -24.627 -3.276 1.00 0.00 H new ATOM 0 HB3 SER A 494 -15.709 -25.189 -3.444 1.00 0.00 H new ATOM 0 HG SER A 494 -14.345 -25.948 -5.159 1.00 0.00 H new ATOM 19 N SER A 495 -13.526 -21.745 -3.319 1.00 0.00 N ATOM 20 CA SER A 495 -12.400 -20.849 -3.553 1.00 0.00 C ATOM 21 C SER A 495 -11.207 -21.236 -2.684 1.00 0.00 C ATOM 22 O SER A 495 -11.372 -21.695 -1.554 1.00 0.00 O ATOM 23 CB SER A 495 -12.805 -19.401 -3.268 1.00 0.00 C ATOM 24 OG SER A 495 -11.747 -18.508 -3.568 1.00 0.00 O ATOM 0 H SER A 495 -13.664 -22.003 -2.342 1.00 0.00 H new ATOM 0 HA SER A 495 -12.109 -20.938 -4.600 1.00 0.00 H new ATOM 0 HB2 SER A 495 -13.683 -19.142 -3.860 1.00 0.00 H new ATOM 0 HB3 SER A 495 -13.086 -19.298 -2.220 1.00 0.00 H new ATOM 0 HG SER A 495 -12.031 -17.589 -3.379 1.00 0.00 H new ATOM 30 N GLY A 496 -10.005 -21.047 -3.220 1.00 0.00 N ATOM 31 CA GLY A 496 -8.802 -21.381 -2.480 1.00 0.00 C ATOM 32 C GLY A 496 -7.565 -21.385 -3.357 1.00 0.00 C ATOM 33 O GLY A 496 -6.949 -22.429 -3.567 1.00 0.00 O ATOM 0 H GLY A 496 -9.843 -20.669 -4.153 1.00 0.00 H new ATOM 0 HA2 GLY A 496 -8.667 -20.665 -1.670 1.00 0.00 H new ATOM 0 HA3 GLY A 496 -8.922 -22.363 -2.021 1.00 0.00 H new ATOM 37 N SER A 497 -7.202 -20.214 -3.871 1.00 0.00 N ATOM 38 CA SER A 497 -6.034 -20.088 -4.734 1.00 0.00 C ATOM 39 C SER A 497 -4.809 -19.662 -3.931 1.00 0.00 C ATOM 40 O SER A 497 -4.828 -18.643 -3.242 1.00 0.00 O ATOM 41 CB SER A 497 -6.304 -19.075 -5.849 1.00 0.00 C ATOM 42 OG SER A 497 -7.639 -19.173 -6.314 1.00 0.00 O ATOM 0 H SER A 497 -7.700 -19.340 -3.705 1.00 0.00 H new ATOM 0 HA SER A 497 -5.835 -21.063 -5.179 1.00 0.00 H new ATOM 0 HB2 SER A 497 -6.117 -18.066 -5.481 1.00 0.00 H new ATOM 0 HB3 SER A 497 -5.614 -19.246 -6.675 1.00 0.00 H new ATOM 0 HG SER A 497 -7.787 -18.515 -7.025 1.00 0.00 H new ATOM 48 N SER A 498 -3.743 -20.451 -4.026 1.00 0.00 N ATOM 49 CA SER A 498 -2.509 -20.159 -3.306 1.00 0.00 C ATOM 50 C SER A 498 -1.483 -19.508 -4.229 1.00 0.00 C ATOM 51 O SER A 498 -1.608 -19.562 -5.451 1.00 0.00 O ATOM 52 CB SER A 498 -1.930 -21.441 -2.705 1.00 0.00 C ATOM 53 OG SER A 498 -1.108 -21.153 -1.587 1.00 0.00 O ATOM 0 H SER A 498 -3.709 -21.297 -4.595 1.00 0.00 H new ATOM 0 HA SER A 498 -2.742 -19.462 -2.501 1.00 0.00 H new ATOM 0 HB2 SER A 498 -2.741 -22.104 -2.403 1.00 0.00 H new ATOM 0 HB3 SER A 498 -1.350 -21.971 -3.460 1.00 0.00 H new ATOM 0 HG SER A 498 -0.751 -21.988 -1.219 1.00 0.00 H new ATOM 59 N GLY A 499 -0.467 -18.892 -3.632 1.00 0.00 N ATOM 60 CA GLY A 499 0.567 -18.239 -4.414 1.00 0.00 C ATOM 61 C GLY A 499 1.872 -18.107 -3.654 1.00 0.00 C ATOM 62 O GLY A 499 1.953 -17.376 -2.666 1.00 0.00 O ATOM 0 H GLY A 499 -0.342 -18.834 -2.621 1.00 0.00 H new ATOM 0 HA2 GLY A 499 0.739 -18.806 -5.329 1.00 0.00 H new ATOM 0 HA3 GLY A 499 0.222 -17.249 -4.712 1.00 0.00 H new ATOM 66 N THR A 500 2.897 -18.817 -4.114 1.00 0.00 N ATOM 67 CA THR A 500 4.204 -18.778 -3.470 1.00 0.00 C ATOM 68 C THR A 500 4.778 -17.366 -3.477 1.00 0.00 C ATOM 69 O THR A 500 5.228 -16.873 -4.510 1.00 0.00 O ATOM 70 CB THR A 500 5.200 -19.728 -4.162 1.00 0.00 C ATOM 71 OG1 THR A 500 4.555 -20.967 -4.479 1.00 0.00 O ATOM 72 CG2 THR A 500 6.405 -19.991 -3.271 1.00 0.00 C ATOM 0 H THR A 500 2.847 -19.426 -4.931 1.00 0.00 H new ATOM 0 HA THR A 500 4.059 -19.103 -2.440 1.00 0.00 H new ATOM 0 HB THR A 500 5.544 -19.252 -5.080 1.00 0.00 H new ATOM 0 HG1 THR A 500 5.194 -21.565 -4.920 1.00 0.00 H new ATOM 0 HG21 THR A 500 7.094 -20.664 -3.781 1.00 0.00 H new ATOM 0 HG22 THR A 500 6.910 -19.050 -3.055 1.00 0.00 H new ATOM 0 HG23 THR A 500 6.075 -20.448 -2.338 1.00 0.00 H new ATOM 80 N GLY A 501 4.761 -16.719 -2.315 1.00 0.00 N ATOM 81 CA GLY A 501 5.283 -15.370 -2.209 1.00 0.00 C ATOM 82 C GLY A 501 5.299 -14.865 -0.780 1.00 0.00 C ATOM 83 O GLY A 501 4.722 -15.487 0.111 1.00 0.00 O ATOM 0 H GLY A 501 4.395 -17.106 -1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 501 6.295 -15.343 -2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 501 4.678 -14.701 -2.821 1.00 0.00 H new ATOM 87 N GLU A 502 5.964 -13.735 -0.560 1.00 0.00 N ATOM 88 CA GLU A 502 6.055 -13.149 0.772 1.00 0.00 C ATOM 89 C GLU A 502 5.272 -11.841 0.845 1.00 0.00 C ATOM 90 O GLU A 502 5.602 -10.867 0.167 1.00 0.00 O ATOM 91 CB GLU A 502 7.518 -12.902 1.146 1.00 0.00 C ATOM 92 CG GLU A 502 8.346 -14.173 1.231 1.00 0.00 C ATOM 93 CD GLU A 502 9.658 -13.966 1.964 1.00 0.00 C ATOM 94 OE1 GLU A 502 9.977 -12.806 2.295 1.00 0.00 O ATOM 95 OE2 GLU A 502 10.365 -14.967 2.206 1.00 0.00 O ATOM 0 H GLU A 502 6.447 -13.207 -1.287 1.00 0.00 H new ATOM 0 HA GLU A 502 5.620 -13.853 1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 502 7.965 -12.235 0.409 1.00 0.00 H new ATOM 0 HB3 GLU A 502 7.557 -12.388 2.106 1.00 0.00 H new ATOM 0 HG2 GLU A 502 7.768 -14.945 1.739 1.00 0.00 H new ATOM 0 HG3 GLU A 502 8.550 -14.537 0.224 1.00 0.00 H new ATOM 102 N LYS A 503 4.234 -11.825 1.674 1.00 0.00 N ATOM 103 CA LYS A 503 3.403 -10.638 1.838 1.00 0.00 C ATOM 104 C LYS A 503 3.257 -10.276 3.313 1.00 0.00 C ATOM 105 O LYS A 503 2.216 -10.498 3.931 1.00 0.00 O ATOM 106 CB LYS A 503 2.022 -10.867 1.219 1.00 0.00 C ATOM 107 CG LYS A 503 1.918 -10.403 -0.223 1.00 0.00 C ATOM 108 CD LYS A 503 0.815 -11.138 -0.967 1.00 0.00 C ATOM 109 CE LYS A 503 1.327 -12.427 -1.592 1.00 0.00 C ATOM 110 NZ LYS A 503 2.329 -12.164 -2.662 1.00 0.00 N ATOM 0 H LYS A 503 3.948 -12.621 2.243 1.00 0.00 H new ATOM 0 HA LYS A 503 3.891 -9.809 1.325 1.00 0.00 H new ATOM 0 HB2 LYS A 503 1.783 -11.929 1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 503 1.274 -10.344 1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 503 1.723 -9.331 -0.248 1.00 0.00 H new ATOM 0 HG3 LYS A 503 2.870 -10.566 -0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 503 -0.000 -11.364 -0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 503 0.407 -10.493 -1.745 1.00 0.00 H new ATOM 0 HE2 LYS A 503 1.776 -13.052 -0.820 1.00 0.00 H new ATOM 0 HE3 LYS A 503 0.489 -12.987 -2.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 503 2.329 -12.953 -3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 503 2.085 -11.283 -3.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 503 3.274 -12.072 -2.238 1.00 0.00 H new ATOM 124 N PRO A 504 4.324 -9.705 3.891 1.00 0.00 N ATOM 125 CA PRO A 504 4.338 -9.298 5.299 1.00 0.00 C ATOM 126 C PRO A 504 3.430 -8.103 5.567 1.00 0.00 C ATOM 127 O PRO A 504 3.106 -7.801 6.716 1.00 0.00 O ATOM 128 CB PRO A 504 5.802 -8.924 5.546 1.00 0.00 C ATOM 129 CG PRO A 504 6.327 -8.544 4.204 1.00 0.00 C ATOM 130 CD PRO A 504 5.599 -9.411 3.214 1.00 0.00 C ATOM 0 HA PRO A 504 3.969 -10.087 5.954 1.00 0.00 H new ATOM 0 HB2 PRO A 504 5.886 -8.098 6.252 1.00 0.00 H new ATOM 0 HB3 PRO A 504 6.359 -9.761 5.967 1.00 0.00 H new ATOM 0 HG2 PRO A 504 6.151 -7.488 4.001 1.00 0.00 H new ATOM 0 HG3 PRO A 504 7.404 -8.705 4.146 1.00 0.00 H new ATOM 0 HD2 PRO A 504 5.441 -8.895 2.267 1.00 0.00 H new ATOM 0 HD3 PRO A 504 6.155 -10.322 2.992 1.00 0.00 H new ATOM 138 N PHE A 505 3.023 -7.424 4.499 1.00 0.00 N ATOM 139 CA PHE A 505 2.152 -6.261 4.619 1.00 0.00 C ATOM 140 C PHE A 505 0.724 -6.605 4.206 1.00 0.00 C ATOM 141 O PHE A 505 0.284 -6.261 3.109 1.00 0.00 O ATOM 142 CB PHE A 505 2.681 -5.111 3.759 1.00 0.00 C ATOM 143 CG PHE A 505 4.104 -4.739 4.063 1.00 0.00 C ATOM 144 CD1 PHE A 505 4.416 -4.015 5.203 1.00 0.00 C ATOM 145 CD2 PHE A 505 5.129 -5.114 3.210 1.00 0.00 C ATOM 146 CE1 PHE A 505 5.724 -3.672 5.486 1.00 0.00 C ATOM 147 CE2 PHE A 505 6.440 -4.774 3.489 1.00 0.00 C ATOM 148 CZ PHE A 505 6.737 -4.051 4.628 1.00 0.00 C ATOM 0 H PHE A 505 3.283 -7.659 3.541 1.00 0.00 H new ATOM 0 HA PHE A 505 2.144 -5.951 5.664 1.00 0.00 H new ATOM 0 HB2 PHE A 505 2.603 -5.389 2.708 1.00 0.00 H new ATOM 0 HB3 PHE A 505 2.046 -4.237 3.905 1.00 0.00 H new ATOM 0 HD1 PHE A 505 3.628 -3.716 5.878 1.00 0.00 H new ATOM 0 HD2 PHE A 505 4.902 -5.678 2.317 1.00 0.00 H new ATOM 0 HE1 PHE A 505 5.954 -3.108 6.378 1.00 0.00 H new ATOM 0 HE2 PHE A 505 7.231 -5.073 2.817 1.00 0.00 H new ATOM 0 HZ PHE A 505 7.760 -3.783 4.847 1.00 0.00 H new ATOM 158 N ASP A 506 0.007 -7.287 5.092 1.00 0.00 N ATOM 159 CA ASP A 506 -1.372 -7.679 4.821 1.00 0.00 C ATOM 160 C ASP A 506 -2.344 -6.873 5.676 1.00 0.00 C ATOM 161 O ASP A 506 -2.251 -6.870 6.904 1.00 0.00 O ATOM 162 CB ASP A 506 -1.561 -9.174 5.083 1.00 0.00 C ATOM 163 CG ASP A 506 -0.793 -9.650 6.300 1.00 0.00 C ATOM 164 OD1 ASP A 506 -1.169 -9.264 7.426 1.00 0.00 O ATOM 165 OD2 ASP A 506 0.185 -10.407 6.127 1.00 0.00 O ATOM 0 H ASP A 506 0.357 -7.580 6.004 1.00 0.00 H new ATOM 0 HA ASP A 506 -1.583 -7.473 3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 506 -2.622 -9.384 5.221 1.00 0.00 H new ATOM 0 HB3 ASP A 506 -1.235 -9.737 4.208 1.00 0.00 H new ATOM 170 N CYS A 507 -3.275 -6.189 5.020 1.00 0.00 N ATOM 171 CA CYS A 507 -4.264 -5.377 5.719 1.00 0.00 C ATOM 172 C CYS A 507 -5.017 -6.209 6.754 1.00 0.00 C ATOM 173 O CYS A 507 -5.718 -7.160 6.408 1.00 0.00 O ATOM 174 CB CYS A 507 -5.251 -4.767 4.722 1.00 0.00 C ATOM 175 SG CYS A 507 -6.338 -3.492 5.438 1.00 0.00 S ATOM 0 H CYS A 507 -3.365 -6.181 4.004 1.00 0.00 H new ATOM 0 HA CYS A 507 -3.739 -4.574 6.236 1.00 0.00 H new ATOM 0 HB2 CYS A 507 -4.692 -4.330 3.895 1.00 0.00 H new ATOM 0 HB3 CYS A 507 -5.868 -5.563 4.305 1.00 0.00 H new ATOM 180 N ILE A 508 -4.867 -5.843 8.022 1.00 0.00 N ATOM 181 CA ILE A 508 -5.533 -6.553 9.106 1.00 0.00 C ATOM 182 C ILE A 508 -6.969 -6.070 9.279 1.00 0.00 C ATOM 183 O ILE A 508 -7.763 -6.690 9.987 1.00 0.00 O ATOM 184 CB ILE A 508 -4.781 -6.381 10.439 1.00 0.00 C ATOM 185 CG1 ILE A 508 -4.696 -4.900 10.813 1.00 0.00 C ATOM 186 CG2 ILE A 508 -3.390 -6.990 10.345 1.00 0.00 C ATOM 187 CD1 ILE A 508 -4.249 -4.662 12.239 1.00 0.00 C ATOM 0 H ILE A 508 -4.290 -5.058 8.324 1.00 0.00 H new ATOM 0 HA ILE A 508 -5.537 -7.609 8.835 1.00 0.00 H new ATOM 0 HB ILE A 508 -5.332 -6.903 11.221 1.00 0.00 H new ATOM 0 HG12 ILE A 508 -4.003 -4.402 10.135 1.00 0.00 H new ATOM 0 HG13 ILE A 508 -5.673 -4.439 10.665 1.00 0.00 H new ATOM 0 HG21 ILE A 508 -2.871 -6.860 11.295 1.00 0.00 H new ATOM 0 HG22 ILE A 508 -3.473 -8.053 10.119 1.00 0.00 H new ATOM 0 HG23 ILE A 508 -2.828 -6.493 9.554 1.00 0.00 H new ATOM 0 HD11 ILE A 508 -4.211 -3.590 12.434 1.00 0.00 H new ATOM 0 HD12 ILE A 508 -4.955 -5.131 12.925 1.00 0.00 H new ATOM 0 HD13 ILE A 508 -3.259 -5.093 12.387 1.00 0.00 H new ATOM 199 N ASP A 509 -7.296 -4.960 8.627 1.00 0.00 N ATOM 200 CA ASP A 509 -8.638 -4.394 8.706 1.00 0.00 C ATOM 201 C ASP A 509 -9.636 -5.252 7.935 1.00 0.00 C ATOM 202 O ASP A 509 -10.696 -5.607 8.452 1.00 0.00 O ATOM 203 CB ASP A 509 -8.645 -2.966 8.159 1.00 0.00 C ATOM 204 CG ASP A 509 -7.513 -2.126 8.717 1.00 0.00 C ATOM 205 OD1 ASP A 509 -6.348 -2.379 8.345 1.00 0.00 O ATOM 206 OD2 ASP A 509 -7.792 -1.217 9.527 1.00 0.00 O ATOM 0 H ASP A 509 -6.650 -4.434 8.038 1.00 0.00 H new ATOM 0 HA ASP A 509 -8.936 -4.375 9.754 1.00 0.00 H new ATOM 0 HB2 ASP A 509 -8.569 -2.996 7.072 1.00 0.00 H new ATOM 0 HB3 ASP A 509 -9.597 -2.493 8.399 1.00 0.00 H new ATOM 211 N CYS A 510 -9.291 -5.582 6.694 1.00 0.00 N ATOM 212 CA CYS A 510 -10.156 -6.397 5.850 1.00 0.00 C ATOM 213 C CYS A 510 -9.562 -7.787 5.645 1.00 0.00 C ATOM 214 O CYS A 510 -10.287 -8.779 5.569 1.00 0.00 O ATOM 215 CB CYS A 510 -10.371 -5.717 4.497 1.00 0.00 C ATOM 216 SG CYS A 510 -8.830 -5.326 3.608 1.00 0.00 S ATOM 0 H CYS A 510 -8.418 -5.297 6.251 1.00 0.00 H new ATOM 0 HA CYS A 510 -11.118 -6.503 6.352 1.00 0.00 H new ATOM 0 HB2 CYS A 510 -10.985 -6.364 3.871 1.00 0.00 H new ATOM 0 HB3 CYS A 510 -10.933 -4.796 4.651 1.00 0.00 H new ATOM 221 N GLY A 511 -8.237 -7.852 5.555 1.00 0.00 N ATOM 222 CA GLY A 511 -7.568 -9.124 5.360 1.00 0.00 C ATOM 223 C GLY A 511 -6.877 -9.215 4.014 1.00 0.00 C ATOM 224 O GLY A 511 -6.603 -10.309 3.520 1.00 0.00 O ATOM 0 H GLY A 511 -7.615 -7.046 5.614 1.00 0.00 H new ATOM 0 HA2 GLY A 511 -6.834 -9.270 6.152 1.00 0.00 H new ATOM 0 HA3 GLY A 511 -8.296 -9.931 5.447 1.00 0.00 H new ATOM 228 N LYS A 512 -6.595 -8.062 3.416 1.00 0.00 N ATOM 229 CA LYS A 512 -5.933 -8.014 2.118 1.00 0.00 C ATOM 230 C LYS A 512 -4.441 -8.299 2.258 1.00 0.00 C ATOM 231 O LYS A 512 -3.927 -8.436 3.368 1.00 0.00 O ATOM 232 CB LYS A 512 -6.142 -6.646 1.466 1.00 0.00 C ATOM 233 CG LYS A 512 -7.323 -6.602 0.511 1.00 0.00 C ATOM 234 CD LYS A 512 -7.060 -5.669 -0.659 1.00 0.00 C ATOM 235 CE LYS A 512 -5.984 -6.222 -1.581 1.00 0.00 C ATOM 236 NZ LYS A 512 -6.567 -6.958 -2.736 1.00 0.00 N ATOM 0 H LYS A 512 -6.815 -7.147 3.810 1.00 0.00 H new ATOM 0 HA LYS A 512 -6.375 -8.783 1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 512 -6.288 -5.899 2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 512 -5.237 -6.368 0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 512 -7.528 -7.606 0.138 1.00 0.00 H new ATOM 0 HG3 LYS A 512 -8.213 -6.273 1.047 1.00 0.00 H new ATOM 0 HD2 LYS A 512 -7.982 -5.520 -1.222 1.00 0.00 H new ATOM 0 HD3 LYS A 512 -6.754 -4.692 -0.285 1.00 0.00 H new ATOM 0 HE2 LYS A 512 -5.364 -5.404 -1.948 1.00 0.00 H new ATOM 0 HE3 LYS A 512 -5.331 -6.889 -1.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 512 -5.801 -7.319 -3.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 512 -7.138 -7.755 -2.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 512 -7.170 -6.315 -3.288 1.00 0.00 H new ATOM 250 N ALA A 513 -3.750 -8.385 1.126 1.00 0.00 N ATOM 251 CA ALA A 513 -2.317 -8.649 1.123 1.00 0.00 C ATOM 252 C ALA A 513 -1.576 -7.653 0.238 1.00 0.00 C ATOM 253 O ALA A 513 -2.094 -7.217 -0.791 1.00 0.00 O ATOM 254 CB ALA A 513 -2.044 -10.073 0.662 1.00 0.00 C ATOM 0 H ALA A 513 -4.160 -8.276 0.199 1.00 0.00 H new ATOM 0 HA ALA A 513 -1.949 -8.532 2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 513 -0.970 -10.257 0.665 1.00 0.00 H new ATOM 0 HB2 ALA A 513 -2.534 -10.774 1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 513 -2.433 -10.210 -0.347 1.00 0.00 H new ATOM 260 N PHE A 514 -0.362 -7.297 0.643 1.00 0.00 N ATOM 261 CA PHE A 514 0.449 -6.350 -0.113 1.00 0.00 C ATOM 262 C PHE A 514 1.936 -6.638 0.073 1.00 0.00 C ATOM 263 O PHE A 514 2.369 -7.054 1.147 1.00 0.00 O ATOM 264 CB PHE A 514 0.137 -4.917 0.322 1.00 0.00 C ATOM 265 CG PHE A 514 -1.319 -4.562 0.217 1.00 0.00 C ATOM 266 CD1 PHE A 514 -2.180 -4.796 1.276 1.00 0.00 C ATOM 267 CD2 PHE A 514 -1.825 -3.994 -0.941 1.00 0.00 C ATOM 268 CE1 PHE A 514 -3.520 -4.471 1.182 1.00 0.00 C ATOM 269 CE2 PHE A 514 -3.164 -3.667 -1.041 1.00 0.00 C ATOM 270 CZ PHE A 514 -4.013 -3.905 0.023 1.00 0.00 C ATOM 0 H PHE A 514 0.082 -7.650 1.491 1.00 0.00 H new ATOM 0 HA PHE A 514 0.204 -6.463 -1.169 1.00 0.00 H new ATOM 0 HB2 PHE A 514 0.463 -4.780 1.353 1.00 0.00 H new ATOM 0 HB3 PHE A 514 0.716 -4.226 -0.290 1.00 0.00 H new ATOM 0 HD1 PHE A 514 -1.800 -5.237 2.186 1.00 0.00 H new ATOM 0 HD2 PHE A 514 -1.165 -3.805 -1.775 1.00 0.00 H new ATOM 0 HE1 PHE A 514 -4.181 -4.660 2.015 1.00 0.00 H new ATOM 0 HE2 PHE A 514 -3.546 -3.226 -1.950 1.00 0.00 H new ATOM 0 HZ PHE A 514 -5.060 -3.649 -0.052 1.00 0.00 H new ATOM 280 N SER A 515 2.713 -6.413 -0.982 1.00 0.00 N ATOM 281 CA SER A 515 4.151 -6.652 -0.937 1.00 0.00 C ATOM 282 C SER A 515 4.916 -5.338 -0.813 1.00 0.00 C ATOM 283 O SER A 515 6.041 -5.214 -1.298 1.00 0.00 O ATOM 284 CB SER A 515 4.604 -7.402 -2.191 1.00 0.00 C ATOM 285 OG SER A 515 5.989 -7.697 -2.137 1.00 0.00 O ATOM 0 H SER A 515 2.371 -6.066 -1.878 1.00 0.00 H new ATOM 0 HA SER A 515 4.366 -7.262 -0.060 1.00 0.00 H new ATOM 0 HB2 SER A 515 4.036 -8.327 -2.290 1.00 0.00 H new ATOM 0 HB3 SER A 515 4.391 -6.801 -3.075 1.00 0.00 H new ATOM 0 HG SER A 515 6.487 -6.888 -1.897 1.00 0.00 H new ATOM 291 N ASP A 516 4.298 -4.360 -0.160 1.00 0.00 N ATOM 292 CA ASP A 516 4.920 -3.055 0.030 1.00 0.00 C ATOM 293 C ASP A 516 4.164 -2.240 1.075 1.00 0.00 C ATOM 294 O ASP A 516 2.938 -2.132 1.025 1.00 0.00 O ATOM 295 CB ASP A 516 4.969 -2.292 -1.294 1.00 0.00 C ATOM 296 CG ASP A 516 6.262 -2.526 -2.050 1.00 0.00 C ATOM 297 OD1 ASP A 516 7.329 -2.555 -1.404 1.00 0.00 O ATOM 298 OD2 ASP A 516 6.206 -2.678 -3.289 1.00 0.00 O ATOM 0 H ASP A 516 3.367 -4.446 0.247 1.00 0.00 H new ATOM 0 HA ASP A 516 5.938 -3.213 0.386 1.00 0.00 H new ATOM 0 HB2 ASP A 516 4.128 -2.596 -1.917 1.00 0.00 H new ATOM 0 HB3 ASP A 516 4.853 -1.226 -1.100 1.00 0.00 H new ATOM 303 N HIS A 517 4.903 -1.667 2.020 1.00 0.00 N ATOM 304 CA HIS A 517 4.302 -0.861 3.077 1.00 0.00 C ATOM 305 C HIS A 517 3.386 0.209 2.490 1.00 0.00 C ATOM 306 O HIS A 517 2.206 0.286 2.834 1.00 0.00 O ATOM 307 CB HIS A 517 5.389 -0.207 3.929 1.00 0.00 C ATOM 308 CG HIS A 517 4.931 1.031 4.637 1.00 0.00 C ATOM 309 ND1 HIS A 517 5.406 2.290 4.336 1.00 0.00 N ATOM 310 CD2 HIS A 517 4.035 1.198 5.637 1.00 0.00 C ATOM 311 CE1 HIS A 517 4.823 3.178 5.121 1.00 0.00 C ATOM 312 NE2 HIS A 517 3.985 2.541 5.920 1.00 0.00 N ATOM 0 H HIS A 517 5.918 -1.746 2.075 1.00 0.00 H new ATOM 0 HA HIS A 517 3.705 -1.520 3.707 1.00 0.00 H new ATOM 0 HB2 HIS A 517 5.744 -0.927 4.666 1.00 0.00 H new ATOM 0 HB3 HIS A 517 6.238 0.042 3.292 1.00 0.00 H new ATOM 0 HD2 HIS A 517 3.465 0.420 6.123 1.00 0.00 H new ATOM 0 HE1 HIS A 517 5.001 4.243 5.111 1.00 0.00 H new ATOM 0 HE2 HIS A 517 3.397 2.976 6.631 1.00 0.00 H new ATOM 320 N ILE A 518 3.937 1.032 1.604 1.00 0.00 N ATOM 321 CA ILE A 518 3.170 2.097 0.971 1.00 0.00 C ATOM 322 C ILE A 518 1.874 1.559 0.373 1.00 0.00 C ATOM 323 O ILE A 518 0.808 2.150 0.542 1.00 0.00 O ATOM 324 CB ILE A 518 3.982 2.794 -0.136 1.00 0.00 C ATOM 325 CG1 ILE A 518 5.266 3.392 0.443 1.00 0.00 C ATOM 326 CG2 ILE A 518 3.145 3.872 -0.808 1.00 0.00 C ATOM 327 CD1 ILE A 518 5.021 4.373 1.568 1.00 0.00 C ATOM 0 H ILE A 518 4.912 0.981 1.308 1.00 0.00 H new ATOM 0 HA ILE A 518 2.935 2.823 1.749 1.00 0.00 H new ATOM 0 HB ILE A 518 4.255 2.053 -0.887 1.00 0.00 H new ATOM 0 HG12 ILE A 518 5.901 2.585 0.807 1.00 0.00 H new ATOM 0 HG13 ILE A 518 5.815 3.894 -0.354 1.00 0.00 H new ATOM 0 HG21 ILE A 518 3.733 4.356 -1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 518 2.257 3.420 -1.250 1.00 0.00 H new ATOM 0 HG23 ILE A 518 2.845 4.614 -0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 518 5.975 4.757 1.930 1.00 0.00 H new ATOM 0 HD12 ILE A 518 4.412 5.200 1.203 1.00 0.00 H new ATOM 0 HD13 ILE A 518 4.500 3.870 2.382 1.00 0.00 H new ATOM 339 N GLY A 519 1.974 0.433 -0.327 1.00 0.00 N ATOM 340 CA GLY A 519 0.802 -0.167 -0.938 1.00 0.00 C ATOM 341 C GLY A 519 -0.268 -0.514 0.078 1.00 0.00 C ATOM 342 O GLY A 519 -1.461 -0.357 -0.188 1.00 0.00 O ATOM 0 H GLY A 519 2.845 -0.074 -0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 519 0.389 0.520 -1.676 1.00 0.00 H new ATOM 0 HA3 GLY A 519 1.097 -1.070 -1.473 1.00 0.00 H new ATOM 346 N LEU A 520 0.156 -0.988 1.244 1.00 0.00 N ATOM 347 CA LEU A 520 -0.775 -1.360 2.304 1.00 0.00 C ATOM 348 C LEU A 520 -1.408 -0.122 2.932 1.00 0.00 C ATOM 349 O LEU A 520 -2.630 0.017 2.956 1.00 0.00 O ATOM 350 CB LEU A 520 -0.057 -2.179 3.377 1.00 0.00 C ATOM 351 CG LEU A 520 -0.779 -2.309 4.718 1.00 0.00 C ATOM 352 CD1 LEU A 520 -2.175 -2.879 4.520 1.00 0.00 C ATOM 353 CD2 LEU A 520 0.024 -3.178 5.675 1.00 0.00 C ATOM 0 H LEU A 520 1.139 -1.124 1.480 1.00 0.00 H new ATOM 0 HA LEU A 520 -1.566 -1.966 1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 520 0.120 -3.180 2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 520 0.920 -1.730 3.555 1.00 0.00 H new ATOM 0 HG LEU A 520 -0.874 -1.315 5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 520 -2.674 -2.964 5.486 1.00 0.00 H new ATOM 0 HD12 LEU A 520 -2.750 -2.217 3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 520 -2.104 -3.865 4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 520 -0.506 -3.259 6.624 1.00 0.00 H new ATOM 0 HD22 LEU A 520 0.152 -4.171 5.245 1.00 0.00 H new ATOM 0 HD23 LEU A 520 1.002 -2.727 5.843 1.00 0.00 H new ATOM 365 N ASN A 521 -0.567 0.775 3.436 1.00 0.00 N ATOM 366 CA ASN A 521 -1.044 2.002 4.063 1.00 0.00 C ATOM 367 C ASN A 521 -1.982 2.761 3.129 1.00 0.00 C ATOM 368 O ASN A 521 -3.044 3.225 3.543 1.00 0.00 O ATOM 369 CB ASN A 521 0.137 2.893 4.452 1.00 0.00 C ATOM 370 CG ASN A 521 -0.109 3.648 5.744 1.00 0.00 C ATOM 371 OD1 ASN A 521 -0.152 3.057 6.823 1.00 0.00 O ATOM 372 ND2 ASN A 521 -0.272 4.962 5.640 1.00 0.00 N ATOM 0 H ASN A 521 0.448 0.675 3.422 1.00 0.00 H new ATOM 0 HA ASN A 521 -1.597 1.730 4.962 1.00 0.00 H new ATOM 0 HB2 ASN A 521 1.032 2.280 4.558 1.00 0.00 H new ATOM 0 HB3 ASN A 521 0.331 3.605 3.650 1.00 0.00 H new ATOM 0 HD21 ASN A 521 -0.441 5.523 6.475 1.00 0.00 H new ATOM 0 HD22 ASN A 521 -0.228 5.410 4.725 1.00 0.00 H new ATOM 379 N GLN A 522 -1.581 2.882 1.867 1.00 0.00 N ATOM 380 CA GLN A 522 -2.386 3.584 0.875 1.00 0.00 C ATOM 381 C GLN A 522 -3.756 2.932 0.725 1.00 0.00 C ATOM 382 O GLN A 522 -4.724 3.581 0.324 1.00 0.00 O ATOM 383 CB GLN A 522 -1.667 3.603 -0.475 1.00 0.00 C ATOM 384 CG GLN A 522 -0.691 4.759 -0.628 1.00 0.00 C ATOM 385 CD GLN A 522 -0.685 5.336 -2.030 1.00 0.00 C ATOM 386 OE1 GLN A 522 -1.286 4.775 -2.947 1.00 0.00 O ATOM 387 NE2 GLN A 522 -0.003 6.462 -2.204 1.00 0.00 N ATOM 0 H GLN A 522 -0.704 2.503 1.508 1.00 0.00 H new ATOM 0 HA GLN A 522 -2.527 4.609 1.218 1.00 0.00 H new ATOM 0 HB2 GLN A 522 -1.128 2.664 -0.604 1.00 0.00 H new ATOM 0 HB3 GLN A 522 -2.409 3.657 -1.272 1.00 0.00 H new ATOM 0 HG2 GLN A 522 -0.949 5.544 0.083 1.00 0.00 H new ATOM 0 HG3 GLN A 522 0.313 4.418 -0.375 1.00 0.00 H new ATOM 0 HE21 GLN A 522 0.480 6.893 -1.416 1.00 0.00 H new ATOM 0 HE22 GLN A 522 0.038 6.896 -3.126 1.00 0.00 H new ATOM 396 N HIS A 523 -3.833 1.645 1.048 1.00 0.00 N ATOM 397 CA HIS A 523 -5.085 0.905 0.949 1.00 0.00 C ATOM 398 C HIS A 523 -5.915 1.068 2.219 1.00 0.00 C ATOM 399 O HIS A 523 -7.145 1.069 2.173 1.00 0.00 O ATOM 400 CB HIS A 523 -4.808 -0.577 0.695 1.00 0.00 C ATOM 401 CG HIS A 523 -5.963 -1.469 1.030 1.00 0.00 C ATOM 402 ND1 HIS A 523 -6.968 -1.768 0.135 1.00 0.00 N ATOM 403 CD2 HIS A 523 -6.270 -2.130 2.171 1.00 0.00 C ATOM 404 CE1 HIS A 523 -7.844 -2.573 0.711 1.00 0.00 C ATOM 405 NE2 HIS A 523 -7.443 -2.808 1.947 1.00 0.00 N ATOM 0 H HIS A 523 -3.042 1.093 1.381 1.00 0.00 H new ATOM 0 HA HIS A 523 -5.652 1.310 0.111 1.00 0.00 H new ATOM 0 HB2 HIS A 523 -4.546 -0.714 -0.354 1.00 0.00 H new ATOM 0 HB3 HIS A 523 -3.942 -0.882 1.282 1.00 0.00 H new ATOM 0 HD1 HIS A 523 -7.027 -1.422 -0.823 1.00 0.00 H new ATOM 0 HD2 HIS A 523 -5.698 -2.125 3.087 1.00 0.00 H new ATOM 0 HE1 HIS A 523 -8.736 -2.971 0.249 1.00 0.00 H new ATOM 413 N ARG A 524 -5.233 1.206 3.352 1.00 0.00 N ATOM 414 CA ARG A 524 -5.907 1.369 4.634 1.00 0.00 C ATOM 415 C ARG A 524 -6.702 2.671 4.670 1.00 0.00 C ATOM 416 O ARG A 524 -7.555 2.866 5.536 1.00 0.00 O ATOM 417 CB ARG A 524 -4.889 1.349 5.776 1.00 0.00 C ATOM 418 CG ARG A 524 -4.608 -0.043 6.317 1.00 0.00 C ATOM 419 CD ARG A 524 -3.146 -0.207 6.701 1.00 0.00 C ATOM 420 NE ARG A 524 -2.967 -1.181 7.775 1.00 0.00 N ATOM 421 CZ ARG A 524 -1.879 -1.247 8.533 1.00 0.00 C ATOM 422 NH1 ARG A 524 -0.878 -0.400 8.338 1.00 0.00 N ATOM 423 NH2 ARG A 524 -1.791 -2.161 9.491 1.00 0.00 N ATOM 0 H ARG A 524 -4.215 1.208 3.408 1.00 0.00 H new ATOM 0 HA ARG A 524 -6.600 0.537 4.759 1.00 0.00 H new ATOM 0 HB2 ARG A 524 -3.955 1.789 5.427 1.00 0.00 H new ATOM 0 HB3 ARG A 524 -5.254 1.978 6.588 1.00 0.00 H new ATOM 0 HG2 ARG A 524 -5.237 -0.230 7.187 1.00 0.00 H new ATOM 0 HG3 ARG A 524 -4.874 -0.787 5.566 1.00 0.00 H new ATOM 0 HD2 ARG A 524 -2.575 -0.522 5.827 1.00 0.00 H new ATOM 0 HD3 ARG A 524 -2.744 0.756 7.015 1.00 0.00 H new ATOM 0 HE ARG A 524 -3.719 -1.847 7.952 1.00 0.00 H new ATOM 0 HH11 ARG A 524 -0.942 0.305 7.604 1.00 0.00 H new ATOM 0 HH12 ARG A 524 -0.044 -0.453 8.922 1.00 0.00 H new ATOM 0 HH21 ARG A 524 -2.560 -2.814 9.645 1.00 0.00 H new ATOM 0 HH22 ARG A 524 -0.955 -2.211 10.073 1.00 0.00 H new ATOM 437 N ARG A 525 -6.415 3.559 3.724 1.00 0.00 N ATOM 438 CA ARG A 525 -7.101 4.843 3.648 1.00 0.00 C ATOM 439 C ARG A 525 -8.614 4.649 3.590 1.00 0.00 C ATOM 440 O ARG A 525 -9.378 5.523 3.999 1.00 0.00 O ATOM 441 CB ARG A 525 -6.630 5.626 2.421 1.00 0.00 C ATOM 442 CG ARG A 525 -5.132 5.886 2.403 1.00 0.00 C ATOM 443 CD ARG A 525 -4.763 6.943 1.374 1.00 0.00 C ATOM 444 NE ARG A 525 -5.232 8.271 1.761 1.00 0.00 N ATOM 445 CZ ARG A 525 -5.094 9.350 0.999 1.00 0.00 C ATOM 446 NH1 ARG A 525 -4.505 9.258 -0.186 1.00 0.00 N ATOM 447 NH2 ARG A 525 -5.547 10.524 1.420 1.00 0.00 N ATOM 0 H ARG A 525 -5.712 3.413 3.000 1.00 0.00 H new ATOM 0 HA ARG A 525 -6.858 5.409 4.547 1.00 0.00 H new ATOM 0 HB2 ARG A 525 -6.906 5.076 1.521 1.00 0.00 H new ATOM 0 HB3 ARG A 525 -7.156 6.580 2.385 1.00 0.00 H new ATOM 0 HG2 ARG A 525 -4.806 6.209 3.392 1.00 0.00 H new ATOM 0 HG3 ARG A 525 -4.603 4.959 2.180 1.00 0.00 H new ATOM 0 HD2 ARG A 525 -3.681 6.963 1.248 1.00 0.00 H new ATOM 0 HD3 ARG A 525 -5.192 6.674 0.409 1.00 0.00 H new ATOM 0 HE ARG A 525 -5.691 8.375 2.666 1.00 0.00 H new ATOM 0 HH11 ARG A 525 -4.157 8.357 -0.514 1.00 0.00 H new ATOM 0 HH12 ARG A 525 -4.400 10.088 -0.769 1.00 0.00 H new ATOM 0 HH21 ARG A 525 -6.002 10.599 2.330 1.00 0.00 H new ATOM 0 HH22 ARG A 525 -5.440 11.352 0.834 1.00 0.00 H new ATOM 461 N ILE A 526 -9.038 3.498 3.078 1.00 0.00 N ATOM 462 CA ILE A 526 -10.458 3.189 2.967 1.00 0.00 C ATOM 463 C ILE A 526 -11.067 2.905 4.336 1.00 0.00 C ATOM 464 O ILE A 526 -12.256 3.137 4.559 1.00 0.00 O ATOM 465 CB ILE A 526 -10.701 1.978 2.048 1.00 0.00 C ATOM 466 CG1 ILE A 526 -10.263 0.687 2.743 1.00 0.00 C ATOM 467 CG2 ILE A 526 -9.959 2.155 0.732 1.00 0.00 C ATOM 468 CD1 ILE A 526 -10.387 -0.542 1.869 1.00 0.00 C ATOM 0 H ILE A 526 -8.418 2.765 2.734 1.00 0.00 H new ATOM 0 HA ILE A 526 -10.939 4.066 2.533 1.00 0.00 H new ATOM 0 HB ILE A 526 -11.768 1.910 1.835 1.00 0.00 H new ATOM 0 HG12 ILE A 526 -9.227 0.791 3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 526 -10.864 0.546 3.642 1.00 0.00 H new ATOM 0 HG21 ILE A 526 -10.140 1.291 0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 526 -10.314 3.057 0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 526 -8.890 2.245 0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 526 -10.059 -1.419 2.426 1.00 0.00 H new ATOM 0 HD12 ILE A 526 -11.427 -0.671 1.568 1.00 0.00 H new ATOM 0 HD13 ILE A 526 -9.765 -0.422 0.982 1.00 0.00 H new ATOM 480 N HIS A 527 -10.244 2.402 5.251 1.00 0.00 N ATOM 481 CA HIS A 527 -10.701 2.087 6.600 1.00 0.00 C ATOM 482 C HIS A 527 -10.488 3.273 7.536 1.00 0.00 C ATOM 483 O HIS A 527 -11.369 3.624 8.322 1.00 0.00 O ATOM 484 CB HIS A 527 -9.965 0.860 7.138 1.00 0.00 C ATOM 485 CG HIS A 527 -9.952 -0.296 6.185 1.00 0.00 C ATOM 486 ND1 HIS A 527 -11.098 -0.937 5.765 1.00 0.00 N ATOM 487 CD2 HIS A 527 -8.924 -0.923 5.568 1.00 0.00 C ATOM 488 CE1 HIS A 527 -10.775 -1.911 4.933 1.00 0.00 C ATOM 489 NE2 HIS A 527 -9.461 -1.924 4.796 1.00 0.00 N ATOM 0 H HIS A 527 -9.258 2.204 5.083 1.00 0.00 H new ATOM 0 HA HIS A 527 -11.768 1.869 6.554 1.00 0.00 H new ATOM 0 HB2 HIS A 527 -8.938 1.137 7.374 1.00 0.00 H new ATOM 0 HB3 HIS A 527 -10.433 0.546 8.071 1.00 0.00 H new ATOM 0 HD1 HIS A 527 -12.047 -0.697 6.052 1.00 0.00 H new ATOM 0 HD2 HIS A 527 -7.876 -0.681 5.665 1.00 0.00 H new ATOM 0 HE1 HIS A 527 -11.467 -2.583 4.447 1.00 0.00 H new ATOM 497 N THR A 528 -9.313 3.888 7.447 1.00 0.00 N ATOM 498 CA THR A 528 -8.983 5.032 8.287 1.00 0.00 C ATOM 499 C THR A 528 -9.757 6.273 7.854 1.00 0.00 C ATOM 500 O THR A 528 -9.892 6.547 6.662 1.00 0.00 O ATOM 501 CB THR A 528 -7.475 5.343 8.247 1.00 0.00 C ATOM 502 OG1 THR A 528 -7.090 5.738 6.926 1.00 0.00 O ATOM 503 CG2 THR A 528 -6.662 4.130 8.676 1.00 0.00 C ATOM 0 H THR A 528 -8.573 3.612 6.801 1.00 0.00 H new ATOM 0 HA THR A 528 -9.265 4.767 9.306 1.00 0.00 H new ATOM 0 HB THR A 528 -7.276 6.159 8.941 1.00 0.00 H new ATOM 0 HG1 THR A 528 -6.130 5.935 6.910 1.00 0.00 H new ATOM 0 HG21 THR A 528 -5.600 4.373 8.640 1.00 0.00 H new ATOM 0 HG22 THR A 528 -6.936 3.850 9.693 1.00 0.00 H new ATOM 0 HG23 THR A 528 -6.867 3.298 8.002 1.00 0.00 H new ATOM 511 N GLY A 529 -10.263 7.019 8.830 1.00 0.00 N ATOM 512 CA GLY A 529 -11.017 8.223 8.529 1.00 0.00 C ATOM 513 C GLY A 529 -12.487 7.941 8.289 1.00 0.00 C ATOM 514 O GLY A 529 -12.921 7.811 7.145 1.00 0.00 O ATOM 0 H GLY A 529 -10.165 6.812 9.824 1.00 0.00 H new ATOM 0 HA2 GLY A 529 -10.915 8.928 9.354 1.00 0.00 H new ATOM 0 HA3 GLY A 529 -10.593 8.702 7.647 1.00 0.00 H new ATOM 518 N GLU A 530 -13.254 7.844 9.370 1.00 0.00 N ATOM 519 CA GLU A 530 -14.683 7.573 9.271 1.00 0.00 C ATOM 520 C GLU A 530 -15.468 8.865 9.059 1.00 0.00 C ATOM 521 O GLU A 530 -14.916 9.962 9.141 1.00 0.00 O ATOM 522 CB GLU A 530 -15.180 6.863 10.532 1.00 0.00 C ATOM 523 CG GLU A 530 -15.038 7.696 11.795 1.00 0.00 C ATOM 524 CD GLU A 530 -15.010 6.848 13.052 1.00 0.00 C ATOM 525 OE1 GLU A 530 -14.642 5.659 12.958 1.00 0.00 O ATOM 526 OE2 GLU A 530 -15.357 7.376 14.130 1.00 0.00 O ATOM 0 H GLU A 530 -12.910 7.949 10.324 1.00 0.00 H new ATOM 0 HA GLU A 530 -14.844 6.924 8.410 1.00 0.00 H new ATOM 0 HB2 GLU A 530 -16.228 6.596 10.399 1.00 0.00 H new ATOM 0 HB3 GLU A 530 -14.627 5.932 10.657 1.00 0.00 H new ATOM 0 HG2 GLU A 530 -14.122 8.284 11.737 1.00 0.00 H new ATOM 0 HG3 GLU A 530 -15.866 8.402 11.856 1.00 0.00 H new ATOM 533 N LYS A 531 -16.761 8.726 8.785 1.00 0.00 N ATOM 534 CA LYS A 531 -17.624 9.879 8.561 1.00 0.00 C ATOM 535 C LYS A 531 -18.497 10.150 9.782 1.00 0.00 C ATOM 536 O LYS A 531 -18.702 9.285 10.634 1.00 0.00 O ATOM 537 CB LYS A 531 -18.506 9.652 7.331 1.00 0.00 C ATOM 538 CG LYS A 531 -17.863 10.100 6.030 1.00 0.00 C ATOM 539 CD LYS A 531 -18.779 9.858 4.843 1.00 0.00 C ATOM 540 CE LYS A 531 -20.007 10.754 4.893 1.00 0.00 C ATOM 541 NZ LYS A 531 -20.910 10.524 3.732 1.00 0.00 N ATOM 0 H LYS A 531 -17.234 7.825 8.713 1.00 0.00 H new ATOM 0 HA LYS A 531 -16.989 10.748 8.389 1.00 0.00 H new ATOM 0 HB2 LYS A 531 -18.750 8.592 7.260 1.00 0.00 H new ATOM 0 HB3 LYS A 531 -19.446 10.187 7.465 1.00 0.00 H new ATOM 0 HG2 LYS A 531 -17.617 11.160 6.091 1.00 0.00 H new ATOM 0 HG3 LYS A 531 -16.926 9.563 5.883 1.00 0.00 H new ATOM 0 HD2 LYS A 531 -18.232 10.040 3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 531 -19.090 8.813 4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 531 -20.552 10.571 5.819 1.00 0.00 H new ATOM 0 HE3 LYS A 531 -19.694 11.798 4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 531 -21.735 11.154 3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 531 -20.398 10.723 2.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 531 -21.229 9.534 3.731 1.00 0.00 H new ATOM 555 N PRO A 532 -19.027 11.380 9.872 1.00 0.00 N ATOM 556 CA PRO A 532 -19.888 11.792 10.984 1.00 0.00 C ATOM 557 C PRO A 532 -21.248 11.103 10.950 1.00 0.00 C ATOM 558 O PRO A 532 -22.062 11.357 10.063 1.00 0.00 O ATOM 559 CB PRO A 532 -20.047 13.299 10.769 1.00 0.00 C ATOM 560 CG PRO A 532 -19.832 13.499 9.309 1.00 0.00 C ATOM 561 CD PRO A 532 -18.825 12.462 8.893 1.00 0.00 C ATOM 0 HA PRO A 532 -19.460 11.528 11.951 1.00 0.00 H new ATOM 0 HB2 PRO A 532 -21.036 13.640 11.074 1.00 0.00 H new ATOM 0 HB3 PRO A 532 -19.321 13.861 11.357 1.00 0.00 H new ATOM 0 HG2 PRO A 532 -20.765 13.381 8.757 1.00 0.00 H new ATOM 0 HG3 PRO A 532 -19.465 14.504 9.103 1.00 0.00 H new ATOM 0 HD2 PRO A 532 -18.999 12.119 7.873 1.00 0.00 H new ATOM 0 HD3 PRO A 532 -17.808 12.852 8.929 1.00 0.00 H new ATOM 569 N SER A 533 -21.487 10.229 11.923 1.00 0.00 N ATOM 570 CA SER A 533 -22.748 9.500 12.002 1.00 0.00 C ATOM 571 C SER A 533 -23.327 9.569 13.412 1.00 0.00 C ATOM 572 O SER A 533 -24.062 8.679 13.838 1.00 0.00 O ATOM 573 CB SER A 533 -22.544 8.040 11.594 1.00 0.00 C ATOM 574 OG SER A 533 -21.705 7.365 12.516 1.00 0.00 O ATOM 0 H SER A 533 -20.825 10.009 12.667 1.00 0.00 H new ATOM 0 HA SER A 533 -23.453 9.967 11.314 1.00 0.00 H new ATOM 0 HB2 SER A 533 -23.509 7.536 11.539 1.00 0.00 H new ATOM 0 HB3 SER A 533 -22.104 7.996 10.598 1.00 0.00 H new ATOM 0 HG SER A 533 -21.592 6.433 12.234 1.00 0.00 H new ATOM 580 N GLY A 534 -22.990 10.635 14.132 1.00 0.00 N ATOM 581 CA GLY A 534 -23.484 10.802 15.486 1.00 0.00 C ATOM 582 C GLY A 534 -22.454 10.421 16.531 1.00 0.00 C ATOM 583 O GLY A 534 -21.410 9.846 16.223 1.00 0.00 O ATOM 0 H GLY A 534 -22.384 11.386 13.801 1.00 0.00 H new ATOM 0 HA2 GLY A 534 -23.781 11.840 15.635 1.00 0.00 H new ATOM 0 HA3 GLY A 534 -24.377 10.192 15.621 1.00 0.00 H new ATOM 587 N PRO A 535 -22.745 10.745 17.800 1.00 0.00 N ATOM 588 CA PRO A 535 -21.848 10.443 18.919 1.00 0.00 C ATOM 589 C PRO A 535 -21.772 8.950 19.215 1.00 0.00 C ATOM 590 O PRO A 535 -22.608 8.408 19.939 1.00 0.00 O ATOM 591 CB PRO A 535 -22.483 11.190 20.094 1.00 0.00 C ATOM 592 CG PRO A 535 -23.925 11.302 19.737 1.00 0.00 C ATOM 593 CD PRO A 535 -23.971 11.431 18.239 1.00 0.00 C ATOM 0 HA PRO A 535 -20.821 10.743 18.710 1.00 0.00 H new ATOM 0 HB2 PRO A 535 -22.348 10.646 21.029 1.00 0.00 H new ATOM 0 HB3 PRO A 535 -22.031 12.173 20.229 1.00 0.00 H new ATOM 0 HG2 PRO A 535 -24.479 10.425 20.070 1.00 0.00 H new ATOM 0 HG3 PRO A 535 -24.380 12.168 20.218 1.00 0.00 H new ATOM 0 HD2 PRO A 535 -24.864 10.964 17.823 1.00 0.00 H new ATOM 0 HD3 PRO A 535 -23.982 12.475 17.926 1.00 0.00 H new ATOM 601 N SER A 536 -20.766 8.289 18.651 1.00 0.00 N ATOM 602 CA SER A 536 -20.584 6.856 18.852 1.00 0.00 C ATOM 603 C SER A 536 -19.358 6.581 19.718 1.00 0.00 C ATOM 604 O SER A 536 -18.697 7.506 20.190 1.00 0.00 O ATOM 605 CB SER A 536 -20.442 6.145 17.505 1.00 0.00 C ATOM 606 OG SER A 536 -21.683 6.094 16.822 1.00 0.00 O ATOM 0 H SER A 536 -20.064 8.723 18.051 1.00 0.00 H new ATOM 0 HA SER A 536 -21.464 6.471 19.367 1.00 0.00 H new ATOM 0 HB2 SER A 536 -19.707 6.665 16.891 1.00 0.00 H new ATOM 0 HB3 SER A 536 -20.068 5.133 17.662 1.00 0.00 H new ATOM 0 HG SER A 536 -21.565 5.636 15.963 1.00 0.00 H new ATOM 612 N SER A 537 -19.060 5.301 19.920 1.00 0.00 N ATOM 613 CA SER A 537 -17.916 4.902 20.731 1.00 0.00 C ATOM 614 C SER A 537 -16.863 4.200 19.878 1.00 0.00 C ATOM 615 O SER A 537 -15.721 4.647 19.790 1.00 0.00 O ATOM 616 CB SER A 537 -18.366 3.981 21.867 1.00 0.00 C ATOM 617 OG SER A 537 -18.747 4.728 23.009 1.00 0.00 O ATOM 0 H SER A 537 -19.595 4.523 19.533 1.00 0.00 H new ATOM 0 HA SER A 537 -17.472 5.802 21.157 1.00 0.00 H new ATOM 0 HB2 SER A 537 -19.204 3.369 21.533 1.00 0.00 H new ATOM 0 HB3 SER A 537 -17.557 3.299 22.128 1.00 0.00 H new ATOM 0 HG SER A 537 -19.032 4.116 23.720 1.00 0.00 H new ATOM 623 N GLY A 538 -17.259 3.096 19.251 1.00 0.00 N ATOM 624 CA GLY A 538 -16.340 2.349 18.413 1.00 0.00 C ATOM 625 C GLY A 538 -16.593 0.855 18.463 1.00 0.00 C ATOM 626 O GLY A 538 -17.311 0.399 19.351 1.00 0.00 O ATOM 0 H GLY A 538 -18.200 2.706 19.309 1.00 0.00 H new ATOM 0 HA2 GLY A 538 -16.429 2.695 17.383 1.00 0.00 H new ATOM 0 HA3 GLY A 538 -15.317 2.552 18.730 1.00 0.00 H new TER 630 GLY A 538 HETATM 631 ZN ZN A 201 -8.130 -3.264 3.877 1.00 0.00 ZN