USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 462 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 480 LYS NZ :NH3+ -164:sc= -1.23 (180deg=-1.36) USER MOD Set 2.1: A 468 MET CE :methyl -165:sc= -0.0926 (180deg=-0.449) USER MOD Set 2.2: A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 478 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 455 THR OG1 : rot 180:sc= 0 USER MOD Single : A 464 THR OG1 : rot 43:sc= -1.16 USER MOD Single : A 466 LYS NZ :NH3+ -131:sc= -0.56 (180deg=-1.64!) USER MOD Single : A 469 THR OG1 : rot 124:sc= 0.0475 USER MOD Single : A 470 THR OG1 : rot 180:sc= -0.0784 USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 THR OG1 : rot 56:sc= 0.954 USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 THR OG1 : rot 131:sc= -0.166 USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD Single : A 488 GLN : amide:sc= -0.451 K(o=-0.45,f=-2.5) USER MOD Single : A 489 THR OG1 : rot 180:sc= 0 USER MOD Single : A 491 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 495 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 ASN : amide:sc=-0.00321 K(o=-0.0032,f=-0.54) USER MOD Single : A 505 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 506 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 508 ASN : amide:sc= -0.697 X(o=-0.7,f=-1.2) USER MOD Single : A 510 LYS NZ :NH3+ 167:sc= -0.0117 (180deg=-0.154) USER MOD Single : A 511 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 512 HIS :FLIP no HE2:sc= -1.29 F(o=-2.7!,f=-1.3) USER MOD Single : A 514 SER OG : rot 180:sc= 0 USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N VAL A 454 -9.022 -0.023 1.491 1.00 0.00 N ATOM 46 CA VAL A 454 -7.685 -0.059 2.073 1.00 0.00 C ATOM 47 C VAL A 454 -7.740 -0.334 3.572 1.00 0.00 C ATOM 48 O VAL A 454 -8.483 0.316 4.307 1.00 0.00 O ATOM 49 CB VAL A 454 -6.933 1.264 1.835 1.00 0.00 C ATOM 50 CG1 VAL A 454 -5.474 1.130 2.244 1.00 0.00 C ATOM 51 CG2 VAL A 454 -7.052 1.696 0.379 1.00 0.00 C ATOM 0 HA VAL A 454 -7.150 -0.869 1.578 1.00 0.00 H new ATOM 0 HB VAL A 454 -7.390 2.036 2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -4.959 2.074 2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -5.415 0.875 3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -5.002 0.344 1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -6.514 2.633 0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -6.625 0.927 -0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -8.103 1.838 0.126 1.00 0.00 H new ATOM 61 N THR A 455 -6.945 -1.301 4.019 1.00 0.00 N ATOM 62 CA THR A 455 -6.897 -1.662 5.430 1.00 0.00 C ATOM 63 C THR A 455 -5.455 -1.853 5.890 1.00 0.00 C ATOM 64 O THR A 455 -4.576 -2.178 5.091 1.00 0.00 O ATOM 65 CB THR A 455 -7.697 -2.941 5.678 1.00 0.00 C ATOM 66 OG1 THR A 455 -9.021 -2.807 5.189 1.00 0.00 O ATOM 67 CG2 THR A 455 -7.786 -3.319 7.141 1.00 0.00 C ATOM 0 H THR A 455 -6.325 -1.849 3.423 1.00 0.00 H new ATOM 0 HA THR A 455 -7.340 -0.849 6.005 1.00 0.00 H new ATOM 0 HB THR A 455 -7.156 -3.726 5.149 1.00 0.00 H new ATOM 0 HG1 THR A 455 -9.517 -3.636 5.355 1.00 0.00 H new ATOM 0 HG21 THR A 455 -8.367 -4.235 7.245 1.00 0.00 H new ATOM 0 HG22 THR A 455 -6.783 -3.478 7.537 1.00 0.00 H new ATOM 0 HG23 THR A 455 -8.272 -2.516 7.695 1.00 0.00 H new ATOM 75 N GLU A 456 -5.217 -1.650 7.183 1.00 0.00 N ATOM 76 CA GLU A 456 -3.879 -1.800 7.745 1.00 0.00 C ATOM 77 C GLU A 456 -3.342 -3.207 7.504 1.00 0.00 C ATOM 78 O GLU A 456 -2.184 -3.383 7.125 1.00 0.00 O ATOM 79 CB GLU A 456 -3.896 -1.501 9.246 1.00 0.00 C ATOM 80 CG GLU A 456 -4.148 -0.039 9.575 1.00 0.00 C ATOM 81 CD GLU A 456 -5.620 0.326 9.537 1.00 0.00 C ATOM 82 OE1 GLU A 456 -6.459 -0.596 9.467 1.00 0.00 O ATOM 83 OE2 GLU A 456 -5.933 1.534 9.579 1.00 0.00 O ATOM 0 H GLU A 456 -5.932 -1.382 7.859 1.00 0.00 H new ATOM 0 HA GLU A 456 -3.222 -1.088 7.246 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -4.667 -2.109 9.720 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.942 -1.802 9.678 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -3.749 0.180 10.566 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -3.605 0.587 8.867 1.00 0.00 H new ATOM 90 N ASP A 457 -4.190 -4.205 7.727 1.00 0.00 N ATOM 91 CA ASP A 457 -3.801 -5.597 7.532 1.00 0.00 C ATOM 92 C ASP A 457 -3.739 -5.944 6.048 1.00 0.00 C ATOM 93 O ASP A 457 -2.913 -6.752 5.624 1.00 0.00 O ATOM 94 CB ASP A 457 -4.786 -6.527 8.245 1.00 0.00 C ATOM 95 CG ASP A 457 -4.337 -7.976 8.220 1.00 0.00 C ATOM 96 OD1 ASP A 457 -3.157 -8.226 7.893 1.00 0.00 O ATOM 97 OD2 ASP A 457 -5.164 -8.859 8.529 1.00 0.00 O ATOM 0 H ASP A 457 -5.151 -4.076 8.043 1.00 0.00 H new ATOM 0 HA ASP A 457 -2.807 -5.734 7.959 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -4.903 -6.204 9.279 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -5.765 -6.445 7.773 1.00 0.00 H new ATOM 102 N ALA A 458 -4.618 -5.330 5.264 1.00 0.00 N ATOM 103 CA ALA A 458 -4.664 -5.576 3.827 1.00 0.00 C ATOM 104 C ALA A 458 -3.330 -5.244 3.168 1.00 0.00 C ATOM 105 O ALA A 458 -2.815 -6.019 2.362 1.00 0.00 O ATOM 106 CB ALA A 458 -5.785 -4.767 3.190 1.00 0.00 C ATOM 0 H ALA A 458 -5.309 -4.658 5.599 1.00 0.00 H new ATOM 0 HA ALA A 458 -4.861 -6.637 3.672 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -5.809 -4.960 2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -6.739 -5.056 3.632 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -5.612 -3.705 3.364 1.00 0.00 H new ATOM 112 N VAL A 459 -2.774 -4.087 3.515 1.00 0.00 N ATOM 113 CA VAL A 459 -1.498 -3.656 2.956 1.00 0.00 C ATOM 114 C VAL A 459 -0.368 -4.583 3.391 1.00 0.00 C ATOM 115 O VAL A 459 0.514 -4.916 2.600 1.00 0.00 O ATOM 116 CB VAL A 459 -1.157 -2.215 3.379 1.00 0.00 C ATOM 117 CG1 VAL A 459 0.104 -1.733 2.675 1.00 0.00 C ATOM 118 CG2 VAL A 459 -2.325 -1.283 3.092 1.00 0.00 C ATOM 0 H VAL A 459 -3.187 -3.432 4.180 1.00 0.00 H new ATOM 0 HA VAL A 459 -1.599 -3.693 1.871 1.00 0.00 H new ATOM 0 HB VAL A 459 -0.970 -2.207 4.453 1.00 0.00 H new ATOM 0 HG11 VAL A 459 0.328 -0.713 2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 459 0.938 -2.384 2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -0.050 -1.757 1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.065 -0.269 3.398 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -2.546 -1.295 2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.201 -1.616 3.648 1.00 0.00 H new ATOM 128 N ARG A 460 -0.402 -4.995 4.654 1.00 0.00 N ATOM 129 CA ARG A 460 0.619 -5.884 5.196 1.00 0.00 C ATOM 130 C ARG A 460 0.688 -7.186 4.403 1.00 0.00 C ATOM 131 O ARG A 460 1.771 -7.707 4.140 1.00 0.00 O ATOM 132 CB ARG A 460 0.329 -6.185 6.668 1.00 0.00 C ATOM 133 CG ARG A 460 1.432 -6.971 7.357 1.00 0.00 C ATOM 134 CD ARG A 460 1.067 -7.296 8.797 1.00 0.00 C ATOM 135 NE ARG A 460 2.191 -7.868 9.532 1.00 0.00 N ATOM 136 CZ ARG A 460 2.166 -8.133 10.837 1.00 0.00 C ATOM 137 NH1 ARG A 460 1.076 -7.881 11.550 1.00 0.00 N ATOM 138 NH2 ARG A 460 3.232 -8.653 11.429 1.00 0.00 N ATOM 0 H ARG A 460 -1.126 -4.727 5.321 1.00 0.00 H new ATOM 0 HA ARG A 460 1.583 -5.381 5.115 1.00 0.00 H new ATOM 0 HB2 ARG A 460 0.178 -5.245 7.199 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -0.603 -6.745 6.739 1.00 0.00 H new ATOM 0 HG2 ARG A 460 1.618 -7.895 6.810 1.00 0.00 H new ATOM 0 HG3 ARG A 460 2.358 -6.396 7.336 1.00 0.00 H new ATOM 0 HD2 ARG A 460 0.730 -6.389 9.299 1.00 0.00 H new ATOM 0 HD3 ARG A 460 0.232 -7.996 8.810 1.00 0.00 H new ATOM 0 HE ARG A 460 3.046 -8.077 9.016 1.00 0.00 H new ATOM 0 HH11 ARG A 460 0.252 -7.483 11.099 1.00 0.00 H new ATOM 0 HH12 ARG A 460 1.062 -8.086 12.549 1.00 0.00 H new ATOM 0 HH21 ARG A 460 4.072 -8.850 10.885 1.00 0.00 H new ATOM 0 HH22 ARG A 460 3.212 -8.856 12.428 1.00 0.00 H new ATOM 152 N ARG A 461 -0.476 -7.704 4.024 1.00 0.00 N ATOM 153 CA ARG A 461 -0.548 -8.944 3.260 1.00 0.00 C ATOM 154 C ARG A 461 0.077 -8.773 1.880 1.00 0.00 C ATOM 155 O ARG A 461 0.741 -9.677 1.371 1.00 0.00 O ATOM 156 CB ARG A 461 -2.002 -9.399 3.120 1.00 0.00 C ATOM 157 CG ARG A 461 -2.649 -9.783 4.442 1.00 0.00 C ATOM 158 CD ARG A 461 -4.064 -10.301 4.239 1.00 0.00 C ATOM 159 NE ARG A 461 -4.765 -10.489 5.507 1.00 0.00 N ATOM 160 CZ ARG A 461 -6.001 -10.972 5.606 1.00 0.00 C ATOM 161 NH1 ARG A 461 -6.675 -11.316 4.516 1.00 0.00 N ATOM 162 NH2 ARG A 461 -6.565 -11.110 6.798 1.00 0.00 N ATOM 0 H ARG A 461 -1.382 -7.284 4.233 1.00 0.00 H new ATOM 0 HA ARG A 461 0.014 -9.705 3.801 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -2.582 -8.599 2.660 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -2.044 -10.252 2.443 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -2.048 -10.547 4.934 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -2.669 -8.917 5.104 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -4.621 -9.600 3.617 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -4.030 -11.248 3.700 1.00 0.00 H new ATOM 0 HE ARG A 461 -4.278 -10.235 6.367 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -6.246 -11.211 3.597 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -7.622 -11.686 4.598 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -6.051 -10.846 7.639 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -7.512 -11.480 6.874 1.00 0.00 H new ATOM 176 N TYR A 462 -0.140 -7.609 1.276 1.00 0.00 N ATOM 177 CA TYR A 462 0.401 -7.321 -0.047 1.00 0.00 C ATOM 178 C TYR A 462 1.914 -7.132 0.012 1.00 0.00 C ATOM 179 O TYR A 462 2.653 -7.700 -0.792 1.00 0.00 O ATOM 180 CB TYR A 462 -0.257 -6.069 -0.630 1.00 0.00 C ATOM 181 CG TYR A 462 -1.766 -6.147 -0.684 1.00 0.00 C ATOM 182 CD1 TYR A 462 -2.410 -7.319 -1.063 1.00 0.00 C ATOM 183 CD2 TYR A 462 -2.549 -5.047 -0.356 1.00 0.00 C ATOM 184 CE1 TYR A 462 -3.788 -7.392 -1.113 1.00 0.00 C ATOM 185 CE2 TYR A 462 -3.928 -5.112 -0.403 1.00 0.00 C ATOM 186 CZ TYR A 462 -4.543 -6.286 -0.783 1.00 0.00 C ATOM 187 OH TYR A 462 -5.916 -6.355 -0.831 1.00 0.00 O ATOM 0 H TYR A 462 -0.687 -6.850 1.682 1.00 0.00 H new ATOM 0 HA TYR A 462 0.183 -8.172 -0.693 1.00 0.00 H new ATOM 0 HB2 TYR A 462 0.033 -5.205 -0.032 1.00 0.00 H new ATOM 0 HB3 TYR A 462 0.126 -5.903 -1.637 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -1.823 -8.187 -1.323 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -2.071 -4.125 -0.059 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -4.272 -8.311 -1.409 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -4.521 -4.248 -0.143 1.00 0.00 H new ATOM 0 HH TYR A 462 -6.296 -5.491 -0.568 1.00 0.00 H new ATOM 197 N LEU A 463 2.368 -6.328 0.968 1.00 0.00 N ATOM 198 CA LEU A 463 3.792 -6.063 1.132 1.00 0.00 C ATOM 199 C LEU A 463 4.544 -7.336 1.510 1.00 0.00 C ATOM 200 O LEU A 463 5.696 -7.526 1.121 1.00 0.00 O ATOM 201 CB LEU A 463 4.013 -4.990 2.199 1.00 0.00 C ATOM 202 CG LEU A 463 3.373 -3.635 1.895 1.00 0.00 C ATOM 203 CD1 LEU A 463 3.437 -2.728 3.115 1.00 0.00 C ATOM 204 CD2 LEU A 463 4.055 -2.978 0.704 1.00 0.00 C ATOM 0 H LEU A 463 1.770 -5.849 1.641 1.00 0.00 H new ATOM 0 HA LEU A 463 4.180 -5.703 0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 463 3.620 -5.356 3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 463 5.085 -4.847 2.332 1.00 0.00 H new ATOM 0 HG LEU A 463 2.325 -3.798 1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 463 2.977 -1.768 2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 463 2.902 -3.193 3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 463 4.478 -2.571 3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 463 3.586 -2.015 0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 463 5.111 -2.828 0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 463 3.956 -3.620 -0.171 1.00 0.00 H new ATOM 216 N THR A 464 3.884 -8.204 2.269 1.00 0.00 N ATOM 217 CA THR A 464 4.488 -9.457 2.699 1.00 0.00 C ATOM 218 C THR A 464 4.748 -10.372 1.507 1.00 0.00 C ATOM 219 O THR A 464 5.699 -11.153 1.507 1.00 0.00 O ATOM 220 CB THR A 464 3.581 -10.159 3.709 1.00 0.00 C ATOM 221 OG1 THR A 464 2.219 -10.020 3.342 1.00 0.00 O ATOM 222 CG2 THR A 464 3.732 -9.633 5.119 1.00 0.00 C ATOM 0 H THR A 464 2.929 -8.061 2.599 1.00 0.00 H new ATOM 0 HA THR A 464 5.443 -9.231 3.173 1.00 0.00 H new ATOM 0 HB THR A 464 3.890 -11.204 3.695 1.00 0.00 H new ATOM 0 HG1 THR A 464 2.123 -10.168 2.378 1.00 0.00 H new ATOM 0 HG21 THR A 464 3.059 -10.175 5.784 1.00 0.00 H new ATOM 0 HG22 THR A 464 4.761 -9.772 5.451 1.00 0.00 H new ATOM 0 HG23 THR A 464 3.485 -8.572 5.140 1.00 0.00 H new ATOM 230 N ARG A 465 3.896 -10.268 0.492 1.00 0.00 N ATOM 231 CA ARG A 465 4.035 -11.086 -0.708 1.00 0.00 C ATOM 232 C ARG A 465 5.095 -10.510 -1.639 1.00 0.00 C ATOM 233 O ARG A 465 6.078 -11.174 -1.965 1.00 0.00 O ATOM 234 CB ARG A 465 2.696 -11.186 -1.441 1.00 0.00 C ATOM 235 CG ARG A 465 2.726 -12.120 -2.639 1.00 0.00 C ATOM 236 CD ARG A 465 2.793 -13.576 -2.208 1.00 0.00 C ATOM 237 NE ARG A 465 2.913 -14.480 -3.349 1.00 0.00 N ATOM 238 CZ ARG A 465 3.284 -15.754 -3.249 1.00 0.00 C ATOM 239 NH1 ARG A 465 3.571 -16.278 -2.065 1.00 0.00 N ATOM 240 NH2 ARG A 465 3.368 -16.508 -4.337 1.00 0.00 N ATOM 0 H ARG A 465 3.103 -9.626 0.476 1.00 0.00 H new ATOM 0 HA ARG A 465 4.349 -12.084 -0.402 1.00 0.00 H new ATOM 0 HB2 ARG A 465 1.934 -11.530 -0.742 1.00 0.00 H new ATOM 0 HB3 ARG A 465 2.398 -10.192 -1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 465 1.837 -11.960 -3.249 1.00 0.00 H new ATOM 0 HG3 ARG A 465 3.587 -11.884 -3.264 1.00 0.00 H new ATOM 0 HD2 ARG A 465 3.644 -13.718 -1.542 1.00 0.00 H new ATOM 0 HD3 ARG A 465 1.898 -13.827 -1.639 1.00 0.00 H new ATOM 0 HE ARG A 465 2.700 -14.113 -4.277 1.00 0.00 H new ATOM 0 HH11 ARG A 465 3.508 -15.704 -1.224 1.00 0.00 H new ATOM 0 HH12 ARG A 465 3.855 -17.255 -1.995 1.00 0.00 H new ATOM 0 HH21 ARG A 465 3.148 -16.111 -5.251 1.00 0.00 H new ATOM 0 HH22 ARG A 465 3.652 -17.485 -4.260 1.00 0.00 H new ATOM 254 N LYS A 466 4.884 -9.271 -2.059 1.00 0.00 N ATOM 255 CA LYS A 466 5.815 -8.595 -2.953 1.00 0.00 C ATOM 256 C LYS A 466 5.871 -7.099 -2.649 1.00 0.00 C ATOM 257 O LYS A 466 4.857 -6.490 -2.309 1.00 0.00 O ATOM 258 CB LYS A 466 5.405 -8.816 -4.411 1.00 0.00 C ATOM 259 CG LYS A 466 6.541 -8.612 -5.400 1.00 0.00 C ATOM 260 CD LYS A 466 6.290 -9.361 -6.698 1.00 0.00 C ATOM 261 CE LYS A 466 6.218 -10.863 -6.472 1.00 0.00 C ATOM 262 NZ LYS A 466 4.812 -11.350 -6.420 1.00 0.00 N ATOM 0 H LYS A 466 4.074 -8.711 -1.794 1.00 0.00 H new ATOM 0 HA LYS A 466 6.807 -9.018 -2.793 1.00 0.00 H new ATOM 0 HB2 LYS A 466 5.016 -9.828 -4.521 1.00 0.00 H new ATOM 0 HB3 LYS A 466 4.592 -8.134 -4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 466 6.656 -7.548 -5.609 1.00 0.00 H new ATOM 0 HG3 LYS A 466 7.477 -8.953 -4.957 1.00 0.00 H new ATOM 0 HD2 LYS A 466 5.358 -9.014 -7.144 1.00 0.00 H new ATOM 0 HD3 LYS A 466 7.086 -9.137 -7.408 1.00 0.00 H new ATOM 0 HE2 LYS A 466 6.751 -11.376 -7.272 1.00 0.00 H new ATOM 0 HE3 LYS A 466 6.724 -11.115 -5.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 4.684 -11.953 -5.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 4.165 -10.538 -6.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 4.603 -11.900 -7.278 1.00 0.00 H new ATOM 276 N PRO A 467 7.061 -6.482 -2.767 1.00 0.00 N ATOM 277 CA PRO A 467 7.235 -5.050 -2.501 1.00 0.00 C ATOM 278 C PRO A 467 6.261 -4.193 -3.301 1.00 0.00 C ATOM 279 O PRO A 467 6.009 -4.454 -4.477 1.00 0.00 O ATOM 280 CB PRO A 467 8.676 -4.776 -2.942 1.00 0.00 C ATOM 281 CG PRO A 467 9.363 -6.093 -2.835 1.00 0.00 C ATOM 282 CD PRO A 467 8.326 -7.128 -3.167 1.00 0.00 C ATOM 0 HA PRO A 467 7.043 -4.803 -1.457 1.00 0.00 H new ATOM 0 HB2 PRO A 467 8.712 -4.393 -3.962 1.00 0.00 H new ATOM 0 HB3 PRO A 467 9.150 -4.030 -2.304 1.00 0.00 H new ATOM 0 HG2 PRO A 467 10.206 -6.150 -3.523 1.00 0.00 H new ATOM 0 HG3 PRO A 467 9.760 -6.246 -1.831 1.00 0.00 H new ATOM 0 HD2 PRO A 467 8.332 -7.378 -4.228 1.00 0.00 H new ATOM 0 HD3 PRO A 467 8.494 -8.056 -2.620 1.00 0.00 H new ATOM 290 N MET A 468 5.715 -3.168 -2.654 1.00 0.00 N ATOM 291 CA MET A 468 4.767 -2.271 -3.306 1.00 0.00 C ATOM 292 C MET A 468 5.150 -0.813 -3.080 1.00 0.00 C ATOM 293 O MET A 468 5.860 -0.487 -2.127 1.00 0.00 O ATOM 294 CB MET A 468 3.352 -2.526 -2.781 1.00 0.00 C ATOM 295 CG MET A 468 2.868 -3.950 -3.001 1.00 0.00 C ATOM 296 SD MET A 468 2.584 -4.327 -4.742 1.00 0.00 S ATOM 297 CE MET A 468 1.146 -3.313 -5.075 1.00 0.00 C ATOM 0 H MET A 468 5.912 -2.938 -1.680 1.00 0.00 H new ATOM 0 HA MET A 468 4.794 -2.471 -4.377 1.00 0.00 H new ATOM 0 HB2 MET A 468 3.323 -2.302 -1.715 1.00 0.00 H new ATOM 0 HB3 MET A 468 2.663 -1.837 -3.270 1.00 0.00 H new ATOM 0 HG2 MET A 468 3.604 -4.646 -2.598 1.00 0.00 H new ATOM 0 HG3 MET A 468 1.944 -4.105 -2.444 1.00 0.00 H new ATOM 0 HE1 MET A 468 0.688 -3.627 -6.013 1.00 0.00 H new ATOM 0 HE2 MET A 468 0.426 -3.425 -4.264 1.00 0.00 H new ATOM 0 HE3 MET A 468 1.447 -2.268 -5.151 1.00 0.00 H new ATOM 307 N THR A 469 4.676 0.061 -3.960 1.00 0.00 N ATOM 308 CA THR A 469 4.967 1.487 -3.858 1.00 0.00 C ATOM 309 C THR A 469 3.697 2.275 -3.556 1.00 0.00 C ATOM 310 O THR A 469 2.587 1.769 -3.715 1.00 0.00 O ATOM 311 CB THR A 469 5.602 1.994 -5.153 1.00 0.00 C ATOM 312 OG1 THR A 469 4.632 2.092 -6.182 1.00 0.00 O ATOM 313 CG2 THR A 469 6.720 1.109 -5.659 1.00 0.00 C ATOM 0 H THR A 469 4.088 -0.193 -4.754 1.00 0.00 H new ATOM 0 HA THR A 469 5.670 1.634 -3.038 1.00 0.00 H new ATOM 0 HB THR A 469 6.018 2.971 -4.907 1.00 0.00 H new ATOM 0 HG1 THR A 469 4.621 3.006 -6.535 1.00 0.00 H new ATOM 0 HG21 THR A 469 7.126 1.527 -6.580 1.00 0.00 H new ATOM 0 HG22 THR A 469 7.508 1.053 -4.908 1.00 0.00 H new ATOM 0 HG23 THR A 469 6.333 0.109 -5.854 1.00 0.00 H new ATOM 321 N THR A 470 3.868 3.520 -3.120 1.00 0.00 N ATOM 322 CA THR A 470 2.734 4.378 -2.795 1.00 0.00 C ATOM 323 C THR A 470 1.813 4.544 -4.000 1.00 0.00 C ATOM 324 O THR A 470 0.597 4.384 -3.892 1.00 0.00 O ATOM 325 CB THR A 470 3.224 5.746 -2.320 1.00 0.00 C ATOM 326 OG1 THR A 470 4.005 6.373 -3.322 1.00 0.00 O ATOM 327 CG2 THR A 470 4.059 5.679 -1.060 1.00 0.00 C ATOM 0 H THR A 470 4.780 3.956 -2.984 1.00 0.00 H new ATOM 0 HA THR A 470 2.169 3.903 -1.993 1.00 0.00 H new ATOM 0 HB THR A 470 2.321 6.319 -2.106 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.308 7.248 -3.001 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.374 6.684 -0.778 1.00 0.00 H new ATOM 0 HG22 THR A 470 3.467 5.245 -0.254 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.938 5.060 -1.239 1.00 0.00 H new ATOM 335 N LYS A 471 2.400 4.867 -5.147 1.00 0.00 N ATOM 336 CA LYS A 471 1.632 5.055 -6.373 1.00 0.00 C ATOM 337 C LYS A 471 1.000 3.742 -6.827 1.00 0.00 C ATOM 338 O LYS A 471 -0.162 3.709 -7.232 1.00 0.00 O ATOM 339 CB LYS A 471 2.529 5.612 -7.481 1.00 0.00 C ATOM 340 CG LYS A 471 1.777 5.955 -8.756 1.00 0.00 C ATOM 341 CD LYS A 471 2.720 6.457 -9.839 1.00 0.00 C ATOM 342 CE LYS A 471 1.957 6.935 -11.064 1.00 0.00 C ATOM 343 NZ LYS A 471 2.800 7.791 -11.945 1.00 0.00 N ATOM 0 H LYS A 471 3.405 5.004 -5.254 1.00 0.00 H new ATOM 0 HA LYS A 471 0.835 5.769 -6.166 1.00 0.00 H new ATOM 0 HB2 LYS A 471 3.033 6.506 -7.114 1.00 0.00 H new ATOM 0 HB3 LYS A 471 3.304 4.881 -7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 471 1.245 5.074 -9.115 1.00 0.00 H new ATOM 0 HG3 LYS A 471 1.026 6.716 -8.544 1.00 0.00 H new ATOM 0 HD2 LYS A 471 3.326 7.273 -9.445 1.00 0.00 H new ATOM 0 HD3 LYS A 471 3.406 5.659 -10.124 1.00 0.00 H new ATOM 0 HE2 LYS A 471 1.600 6.073 -11.629 1.00 0.00 H new ATOM 0 HE3 LYS A 471 1.077 7.495 -10.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 2.243 8.096 -12.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 3.120 8.626 -11.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 3.627 7.249 -12.268 1.00 0.00 H new ATOM 357 N ASP A 472 1.773 2.664 -6.756 1.00 0.00 N ATOM 358 CA ASP A 472 1.289 1.348 -7.161 1.00 0.00 C ATOM 359 C ASP A 472 0.106 0.914 -6.305 1.00 0.00 C ATOM 360 O ASP A 472 -0.835 0.291 -6.797 1.00 0.00 O ATOM 361 CB ASP A 472 2.413 0.315 -7.060 1.00 0.00 C ATOM 362 CG ASP A 472 2.023 -1.025 -7.652 1.00 0.00 C ATOM 363 OD1 ASP A 472 0.999 -1.086 -8.363 1.00 0.00 O ATOM 364 OD2 ASP A 472 2.744 -2.015 -7.405 1.00 0.00 O ATOM 0 H ASP A 472 2.737 2.675 -6.422 1.00 0.00 H new ATOM 0 HA ASP A 472 0.957 1.415 -8.197 1.00 0.00 H new ATOM 0 HB2 ASP A 472 3.297 0.693 -7.574 1.00 0.00 H new ATOM 0 HB3 ASP A 472 2.686 0.181 -6.013 1.00 0.00 H new ATOM 369 N LEU A 473 0.159 1.246 -5.021 1.00 0.00 N ATOM 370 CA LEU A 473 -0.909 0.891 -4.093 1.00 0.00 C ATOM 371 C LEU A 473 -2.219 1.567 -4.483 1.00 0.00 C ATOM 372 O LEU A 473 -3.288 0.961 -4.411 1.00 0.00 O ATOM 373 CB LEU A 473 -0.526 1.281 -2.665 1.00 0.00 C ATOM 374 CG LEU A 473 0.548 0.403 -2.019 1.00 0.00 C ATOM 375 CD1 LEU A 473 1.186 1.121 -0.841 1.00 0.00 C ATOM 376 CD2 LEU A 473 -0.047 -0.925 -1.579 1.00 0.00 C ATOM 0 H LEU A 473 0.931 1.761 -4.598 1.00 0.00 H new ATOM 0 HA LEU A 473 -1.051 -0.189 -4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.176 2.313 -2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.421 1.250 -2.044 1.00 0.00 H new ATOM 0 HG LEU A 473 1.324 0.204 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 473 1.947 0.482 -0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 473 1.646 2.047 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 473 0.422 1.350 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 473 0.730 -1.538 -1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -0.841 -0.746 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -0.456 -1.445 -2.445 1.00 0.00 H new ATOM 388 N LEU A 474 -2.129 2.827 -4.898 1.00 0.00 N ATOM 389 CA LEU A 474 -3.308 3.586 -5.300 1.00 0.00 C ATOM 390 C LEU A 474 -4.041 2.892 -6.443 1.00 0.00 C ATOM 391 O LEU A 474 -5.266 2.766 -6.424 1.00 0.00 O ATOM 392 CB LEU A 474 -2.909 5.002 -5.720 1.00 0.00 C ATOM 393 CG LEU A 474 -4.077 5.963 -5.947 1.00 0.00 C ATOM 394 CD1 LEU A 474 -4.725 6.337 -4.623 1.00 0.00 C ATOM 395 CD2 LEU A 474 -3.606 7.208 -6.684 1.00 0.00 C ATOM 0 H LEU A 474 -1.252 3.344 -4.965 1.00 0.00 H new ATOM 0 HA LEU A 474 -3.981 3.643 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -2.257 5.422 -4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -2.325 4.941 -6.638 1.00 0.00 H new ATOM 0 HG LEU A 474 -4.823 5.461 -6.563 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -5.554 7.021 -4.804 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -5.097 5.437 -4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -3.989 6.821 -3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 474 -4.450 7.881 -6.837 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -2.842 7.713 -6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -3.189 6.923 -7.650 1.00 0.00 H new ATOM 407 N LYS A 475 -3.284 2.442 -7.438 1.00 0.00 N ATOM 408 CA LYS A 475 -3.861 1.760 -8.590 1.00 0.00 C ATOM 409 C LYS A 475 -4.498 0.437 -8.178 1.00 0.00 C ATOM 410 O LYS A 475 -5.487 0.001 -8.768 1.00 0.00 O ATOM 411 CB LYS A 475 -2.789 1.513 -9.652 1.00 0.00 C ATOM 412 CG LYS A 475 -3.337 0.937 -10.948 1.00 0.00 C ATOM 413 CD LYS A 475 -2.223 0.627 -11.935 1.00 0.00 C ATOM 414 CE LYS A 475 -2.777 0.223 -13.291 1.00 0.00 C ATOM 415 NZ LYS A 475 -2.926 -1.254 -13.413 1.00 0.00 N ATOM 0 H LYS A 475 -2.269 2.537 -7.470 1.00 0.00 H new ATOM 0 HA LYS A 475 -4.637 2.401 -9.008 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -2.280 2.453 -9.868 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -2.041 0.831 -9.249 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -3.899 0.028 -10.734 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -4.035 1.645 -11.396 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -1.582 1.501 -12.048 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -1.600 -0.176 -11.541 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -3.745 0.699 -13.444 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -2.115 0.587 -14.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -3.307 -1.488 -14.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -1.998 -1.708 -13.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -3.578 -1.599 -12.680 1.00 0.00 H new ATOM 429 N LYS A 476 -3.924 -0.199 -7.161 1.00 0.00 N ATOM 430 CA LYS A 476 -4.434 -1.474 -6.669 1.00 0.00 C ATOM 431 C LYS A 476 -5.886 -1.347 -6.219 1.00 0.00 C ATOM 432 O LYS A 476 -6.662 -2.297 -6.319 1.00 0.00 O ATOM 433 CB LYS A 476 -3.571 -1.979 -5.511 1.00 0.00 C ATOM 434 CG LYS A 476 -3.849 -3.424 -5.132 1.00 0.00 C ATOM 435 CD LYS A 476 -3.008 -3.859 -3.943 1.00 0.00 C ATOM 436 CE LYS A 476 -3.019 -5.369 -3.774 1.00 0.00 C ATOM 437 NZ LYS A 476 -1.777 -5.995 -4.306 1.00 0.00 N ATOM 0 H LYS A 476 -3.105 0.148 -6.662 1.00 0.00 H new ATOM 0 HA LYS A 476 -4.390 -2.192 -7.488 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -2.520 -1.879 -5.781 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -3.738 -1.345 -4.640 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -4.906 -3.542 -4.894 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -3.640 -4.071 -5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -1.982 -3.514 -4.076 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -3.387 -3.388 -3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -3.126 -5.616 -2.718 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -3.885 -5.786 -4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -1.823 -7.025 -4.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -1.687 -5.781 -5.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -0.952 -5.616 -3.798 1.00 0.00 H new ATOM 451 N PHE A 477 -6.247 -0.168 -5.724 1.00 0.00 N ATOM 452 CA PHE A 477 -7.606 0.082 -5.258 1.00 0.00 C ATOM 453 C PHE A 477 -8.437 0.774 -6.335 1.00 0.00 C ATOM 454 O PHE A 477 -9.373 1.514 -6.029 1.00 0.00 O ATOM 455 CB PHE A 477 -7.584 0.936 -3.988 1.00 0.00 C ATOM 456 CG PHE A 477 -6.919 0.262 -2.823 1.00 0.00 C ATOM 457 CD1 PHE A 477 -7.608 -0.663 -2.054 1.00 0.00 C ATOM 458 CD2 PHE A 477 -5.604 0.552 -2.495 1.00 0.00 C ATOM 459 CE1 PHE A 477 -6.999 -1.284 -0.981 1.00 0.00 C ATOM 460 CE2 PHE A 477 -4.989 -0.067 -1.424 1.00 0.00 C ATOM 461 CZ PHE A 477 -5.687 -0.986 -0.666 1.00 0.00 C ATOM 0 H PHE A 477 -5.617 0.630 -5.635 1.00 0.00 H new ATOM 0 HA PHE A 477 -8.066 -0.880 -5.034 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -7.068 1.872 -4.199 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -8.608 1.191 -3.714 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -8.633 -0.901 -2.297 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.053 1.271 -3.084 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -7.548 -2.002 -0.389 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -3.963 0.168 -1.180 1.00 0.00 H new ATOM 0 HZ PHE A 477 -5.208 -1.471 0.172 1.00 0.00 H new ATOM 471 N GLN A 478 -8.091 0.531 -7.595 1.00 0.00 N ATOM 472 CA GLN A 478 -8.806 1.133 -8.714 1.00 0.00 C ATOM 473 C GLN A 478 -10.258 0.666 -8.750 1.00 0.00 C ATOM 474 O GLN A 478 -11.164 1.447 -9.042 1.00 0.00 O ATOM 475 CB GLN A 478 -8.115 0.786 -10.033 1.00 0.00 C ATOM 476 CG GLN A 478 -8.125 -0.700 -10.353 1.00 0.00 C ATOM 477 CD GLN A 478 -7.391 -1.024 -11.640 1.00 0.00 C ATOM 478 OE1 GLN A 478 -6.163 -1.111 -11.662 1.00 0.00 O ATOM 479 NE2 GLN A 478 -8.141 -1.204 -12.720 1.00 0.00 N ATOM 0 H GLN A 478 -7.320 -0.079 -7.867 1.00 0.00 H new ATOM 0 HA GLN A 478 -8.795 2.214 -8.578 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -8.604 1.327 -10.843 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -7.083 1.134 -9.995 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -7.667 -1.248 -9.530 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -9.156 -1.044 -10.431 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -9.156 -1.122 -12.656 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -7.703 -1.424 -13.614 1.00 0.00 H new ATOM 488 N THR A 479 -10.473 -0.611 -8.451 1.00 0.00 N ATOM 489 CA THR A 479 -11.817 -1.179 -8.451 1.00 0.00 C ATOM 490 C THR A 479 -12.027 -2.091 -7.246 1.00 0.00 C ATOM 491 O THR A 479 -12.043 -3.315 -7.375 1.00 0.00 O ATOM 492 CB THR A 479 -12.063 -1.958 -9.744 1.00 0.00 C ATOM 493 OG1 THR A 479 -11.198 -3.077 -9.828 1.00 0.00 O ATOM 494 CG2 THR A 479 -11.861 -1.127 -10.992 1.00 0.00 C ATOM 0 H THR A 479 -9.735 -1.271 -8.206 1.00 0.00 H new ATOM 0 HA THR A 479 -12.530 -0.357 -8.387 1.00 0.00 H new ATOM 0 HB THR A 479 -13.107 -2.268 -9.699 1.00 0.00 H new ATOM 0 HG1 THR A 479 -11.305 -3.634 -9.029 1.00 0.00 H new ATOM 0 HG21 THR A 479 -12.052 -1.741 -11.872 1.00 0.00 H new ATOM 0 HG22 THR A 479 -12.550 -0.282 -10.982 1.00 0.00 H new ATOM 0 HG23 THR A 479 -10.836 -0.758 -11.022 1.00 0.00 H new ATOM 502 N LYS A 480 -12.189 -1.486 -6.074 1.00 0.00 N ATOM 503 CA LYS A 480 -12.400 -2.244 -4.845 1.00 0.00 C ATOM 504 C LYS A 480 -13.500 -1.612 -3.999 1.00 0.00 C ATOM 505 O LYS A 480 -13.830 -0.438 -4.166 1.00 0.00 O ATOM 506 CB LYS A 480 -11.103 -2.325 -4.039 1.00 0.00 C ATOM 507 CG LYS A 480 -10.011 -3.129 -4.724 1.00 0.00 C ATOM 508 CD LYS A 480 -8.881 -3.464 -3.764 1.00 0.00 C ATOM 509 CE LYS A 480 -7.884 -4.426 -4.389 1.00 0.00 C ATOM 510 NZ LYS A 480 -6.629 -4.522 -3.593 1.00 0.00 N ATOM 0 H LYS A 480 -12.178 -0.474 -5.949 1.00 0.00 H new ATOM 0 HA LYS A 480 -12.711 -3.252 -5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -10.737 -1.315 -3.853 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -11.316 -2.771 -3.067 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -10.433 -4.050 -5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -9.617 -2.564 -5.569 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -8.369 -2.548 -3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -9.293 -3.904 -2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -8.337 -5.414 -4.473 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -7.648 -4.097 -5.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -5.884 -4.960 -4.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -6.328 -3.570 -3.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -6.798 -5.104 -2.748 1.00 0.00 H new ATOM 524 N LYS A 481 -14.066 -2.400 -3.089 1.00 0.00 N ATOM 525 CA LYS A 481 -15.130 -1.920 -2.216 1.00 0.00 C ATOM 526 C LYS A 481 -14.625 -0.807 -1.304 1.00 0.00 C ATOM 527 O LYS A 481 -14.292 -1.045 -0.143 1.00 0.00 O ATOM 528 CB LYS A 481 -15.687 -3.070 -1.376 1.00 0.00 C ATOM 529 CG LYS A 481 -16.845 -3.799 -2.037 1.00 0.00 C ATOM 530 CD LYS A 481 -16.360 -4.734 -3.133 1.00 0.00 C ATOM 531 CE LYS A 481 -17.519 -5.437 -3.819 1.00 0.00 C ATOM 532 NZ LYS A 481 -17.846 -6.735 -3.167 1.00 0.00 N ATOM 0 H LYS A 481 -13.804 -3.374 -2.938 1.00 0.00 H new ATOM 0 HA LYS A 481 -15.926 -1.518 -2.843 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -14.887 -3.783 -1.174 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -16.016 -2.680 -0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -17.393 -4.369 -1.287 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -17.541 -3.073 -2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -15.789 -4.168 -3.869 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -15.684 -5.476 -2.707 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -18.397 -4.791 -3.802 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -17.270 -5.609 -4.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -18.642 -7.183 -3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -17.017 -7.362 -3.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -18.108 -6.569 -2.174 1.00 0.00 H new ATOM 546 N THR A 482 -14.570 0.410 -1.838 1.00 0.00 N ATOM 547 CA THR A 482 -14.107 1.561 -1.072 1.00 0.00 C ATOM 548 C THR A 482 -15.143 2.680 -1.096 1.00 0.00 C ATOM 549 O THR A 482 -15.448 3.279 -0.065 1.00 0.00 O ATOM 550 CB THR A 482 -12.778 2.074 -1.631 1.00 0.00 C ATOM 551 OG1 THR A 482 -12.988 2.835 -2.807 1.00 0.00 O ATOM 552 CG2 THR A 482 -11.802 0.966 -1.971 1.00 0.00 C ATOM 0 H THR A 482 -14.840 0.624 -2.798 1.00 0.00 H new ATOM 0 HA THR A 482 -13.961 1.243 -0.040 1.00 0.00 H new ATOM 0 HB THR A 482 -12.349 2.684 -0.836 1.00 0.00 H new ATOM 0 HG1 THR A 482 -12.502 3.683 -2.739 1.00 0.00 H new ATOM 0 HG21 THR A 482 -10.881 1.399 -2.362 1.00 0.00 H new ATOM 0 HG22 THR A 482 -11.579 0.389 -1.073 1.00 0.00 H new ATOM 0 HG23 THR A 482 -12.243 0.311 -2.723 1.00 0.00 H new ATOM 560 N GLY A 483 -15.679 2.956 -2.279 1.00 0.00 N ATOM 561 CA GLY A 483 -16.675 4.003 -2.417 1.00 0.00 C ATOM 562 C GLY A 483 -16.110 5.384 -2.142 1.00 0.00 C ATOM 563 O GLY A 483 -16.856 6.320 -1.856 1.00 0.00 O ATOM 0 H GLY A 483 -15.442 2.473 -3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -17.087 3.977 -3.426 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -17.499 3.808 -1.731 1.00 0.00 H new ATOM 567 N LEU A 484 -14.790 5.512 -2.229 1.00 0.00 N ATOM 568 CA LEU A 484 -14.129 6.790 -1.987 1.00 0.00 C ATOM 569 C LEU A 484 -13.355 7.244 -3.221 1.00 0.00 C ATOM 570 O LEU A 484 -12.823 6.424 -3.969 1.00 0.00 O ATOM 571 CB LEU A 484 -13.183 6.680 -0.789 1.00 0.00 C ATOM 572 CG LEU A 484 -13.832 6.189 0.506 1.00 0.00 C ATOM 573 CD1 LEU A 484 -12.828 6.212 1.648 1.00 0.00 C ATOM 574 CD2 LEU A 484 -15.049 7.036 0.846 1.00 0.00 C ATOM 0 H LEU A 484 -14.157 4.748 -2.465 1.00 0.00 H new ATOM 0 HA LEU A 484 -14.897 7.532 -1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -12.369 6.003 -1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -12.738 7.658 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 484 -14.160 5.160 0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -13.308 5.859 2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -11.987 5.563 1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -12.469 7.230 1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -15.498 6.673 1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -14.745 8.075 0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -15.777 6.968 0.037 1.00 0.00 H new ATOM 586 N SER A 485 -13.297 8.555 -3.428 1.00 0.00 N ATOM 587 CA SER A 485 -12.588 9.118 -4.571 1.00 0.00 C ATOM 588 C SER A 485 -11.115 8.724 -4.544 1.00 0.00 C ATOM 589 O SER A 485 -10.568 8.405 -3.490 1.00 0.00 O ATOM 590 CB SER A 485 -12.721 10.642 -4.580 1.00 0.00 C ATOM 591 OG SER A 485 -14.081 11.036 -4.584 1.00 0.00 O ATOM 0 H SER A 485 -13.733 9.248 -2.819 1.00 0.00 H new ATOM 0 HA SER A 485 -13.036 8.716 -5.480 1.00 0.00 H new ATOM 0 HB2 SER A 485 -12.221 11.059 -3.706 1.00 0.00 H new ATOM 0 HB3 SER A 485 -12.219 11.049 -5.458 1.00 0.00 H new ATOM 0 HG SER A 485 -14.138 12.014 -4.588 1.00 0.00 H new ATOM 597 N SER A 486 -10.480 8.748 -5.711 1.00 0.00 N ATOM 598 CA SER A 486 -9.069 8.392 -5.821 1.00 0.00 C ATOM 599 C SER A 486 -8.211 9.290 -4.935 1.00 0.00 C ATOM 600 O SER A 486 -7.244 8.834 -4.325 1.00 0.00 O ATOM 601 CB SER A 486 -8.606 8.497 -7.275 1.00 0.00 C ATOM 602 OG SER A 486 -7.299 7.974 -7.432 1.00 0.00 O ATOM 0 H SER A 486 -10.919 9.010 -6.594 1.00 0.00 H new ATOM 0 HA SER A 486 -8.953 7.362 -5.484 1.00 0.00 H new ATOM 0 HB2 SER A 486 -9.298 7.956 -7.920 1.00 0.00 H new ATOM 0 HB3 SER A 486 -8.624 9.540 -7.592 1.00 0.00 H new ATOM 0 HG SER A 486 -7.026 8.051 -8.370 1.00 0.00 H new ATOM 608 N GLU A 487 -8.574 10.567 -4.868 1.00 0.00 N ATOM 609 CA GLU A 487 -7.837 11.528 -4.055 1.00 0.00 C ATOM 610 C GLU A 487 -7.960 11.194 -2.572 1.00 0.00 C ATOM 611 O GLU A 487 -7.008 11.354 -1.809 1.00 0.00 O ATOM 612 CB GLU A 487 -8.351 12.945 -4.316 1.00 0.00 C ATOM 613 CG GLU A 487 -7.529 14.027 -3.632 1.00 0.00 C ATOM 614 CD GLU A 487 -8.106 15.415 -3.829 1.00 0.00 C ATOM 615 OE1 GLU A 487 -9.165 15.532 -4.484 1.00 0.00 O ATOM 616 OE2 GLU A 487 -7.501 16.386 -3.331 1.00 0.00 O ATOM 0 H GLU A 487 -9.373 10.960 -5.366 1.00 0.00 H new ATOM 0 HA GLU A 487 -6.785 11.473 -4.334 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -8.356 13.129 -5.390 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -9.384 13.016 -3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -7.469 13.811 -2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -6.511 14.003 -4.020 1.00 0.00 H new ATOM 623 N GLN A 488 -9.139 10.729 -2.172 1.00 0.00 N ATOM 624 CA GLN A 488 -9.387 10.372 -0.780 1.00 0.00 C ATOM 625 C GLN A 488 -8.483 9.224 -0.342 1.00 0.00 C ATOM 626 O GLN A 488 -8.014 9.190 0.796 1.00 0.00 O ATOM 627 CB GLN A 488 -10.854 9.982 -0.584 1.00 0.00 C ATOM 628 CG GLN A 488 -11.823 11.133 -0.803 1.00 0.00 C ATOM 629 CD GLN A 488 -11.694 12.214 0.253 1.00 0.00 C ATOM 630 OE1 GLN A 488 -10.884 12.105 1.173 1.00 0.00 O ATOM 631 NE2 GLN A 488 -12.495 13.264 0.125 1.00 0.00 N ATOM 0 H GLN A 488 -9.937 10.591 -2.792 1.00 0.00 H new ATOM 0 HA GLN A 488 -9.163 11.243 -0.164 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -11.102 9.173 -1.272 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -10.986 9.593 0.426 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -11.647 11.569 -1.787 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -12.843 10.749 -0.802 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -13.152 13.313 -0.654 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -12.454 14.023 0.806 1.00 0.00 H new ATOM 640 N THR A 489 -8.242 8.285 -1.252 1.00 0.00 N ATOM 641 CA THR A 489 -7.394 7.134 -0.958 1.00 0.00 C ATOM 642 C THR A 489 -5.990 7.578 -0.564 1.00 0.00 C ATOM 643 O THR A 489 -5.352 6.963 0.289 1.00 0.00 O ATOM 644 CB THR A 489 -7.325 6.202 -2.168 1.00 0.00 C ATOM 645 OG1 THR A 489 -8.623 5.794 -2.564 1.00 0.00 O ATOM 646 CG2 THR A 489 -6.508 4.954 -1.916 1.00 0.00 C ATOM 0 H THR A 489 -8.622 8.298 -2.199 1.00 0.00 H new ATOM 0 HA THR A 489 -7.834 6.596 -0.118 1.00 0.00 H new ATOM 0 HB THR A 489 -6.839 6.783 -2.952 1.00 0.00 H new ATOM 0 HG1 THR A 489 -8.556 5.200 -3.341 1.00 0.00 H new ATOM 0 HG21 THR A 489 -6.500 4.337 -2.814 1.00 0.00 H new ATOM 0 HG22 THR A 489 -5.486 5.234 -1.659 1.00 0.00 H new ATOM 0 HG23 THR A 489 -6.948 4.391 -1.093 1.00 0.00 H new ATOM 654 N VAL A 490 -5.513 8.647 -1.192 1.00 0.00 N ATOM 655 CA VAL A 490 -4.183 9.170 -0.906 1.00 0.00 C ATOM 656 C VAL A 490 -4.052 9.571 0.559 1.00 0.00 C ATOM 657 O VAL A 490 -3.044 9.281 1.206 1.00 0.00 O ATOM 658 CB VAL A 490 -3.857 10.387 -1.793 1.00 0.00 C ATOM 659 CG1 VAL A 490 -2.422 10.845 -1.571 1.00 0.00 C ATOM 660 CG2 VAL A 490 -4.098 10.061 -3.259 1.00 0.00 C ATOM 0 H VAL A 490 -6.028 9.168 -1.902 1.00 0.00 H new ATOM 0 HA VAL A 490 -3.475 8.371 -1.124 1.00 0.00 H new ATOM 0 HB VAL A 490 -4.522 11.204 -1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 490 -2.212 11.705 -2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 490 -2.287 11.124 -0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 490 -1.738 10.034 -1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -3.862 10.933 -3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -3.461 9.227 -3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -5.143 9.789 -3.404 1.00 0.00 H new ATOM 670 N ASN A 491 -5.076 10.240 1.080 1.00 0.00 N ATOM 671 CA ASN A 491 -5.074 10.682 2.469 1.00 0.00 C ATOM 672 C ASN A 491 -5.109 9.493 3.425 1.00 0.00 C ATOM 673 O ASN A 491 -4.284 9.388 4.332 1.00 0.00 O ATOM 674 CB ASN A 491 -6.270 11.599 2.735 1.00 0.00 C ATOM 675 CG ASN A 491 -6.172 12.300 4.076 1.00 0.00 C ATOM 676 OD1 ASN A 491 -5.244 13.070 4.321 1.00 0.00 O ATOM 677 ND2 ASN A 491 -7.135 12.035 4.952 1.00 0.00 N ATOM 0 H ASN A 491 -5.918 10.488 0.560 1.00 0.00 H new ATOM 0 HA ASN A 491 -4.151 11.235 2.644 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -6.337 12.344 1.942 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -7.189 11.013 2.700 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -7.124 12.477 5.871 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -7.885 11.390 4.705 1.00 0.00 H new ATOM 684 N VAL A 492 -6.071 8.600 3.215 1.00 0.00 N ATOM 685 CA VAL A 492 -6.216 7.419 4.059 1.00 0.00 C ATOM 686 C VAL A 492 -5.026 6.478 3.898 1.00 0.00 C ATOM 687 O VAL A 492 -4.452 6.012 4.883 1.00 0.00 O ATOM 688 CB VAL A 492 -7.511 6.652 3.733 1.00 0.00 C ATOM 689 CG1 VAL A 492 -7.713 5.499 4.706 1.00 0.00 C ATOM 690 CG2 VAL A 492 -8.708 7.591 3.755 1.00 0.00 C ATOM 0 H VAL A 492 -6.762 8.672 2.468 1.00 0.00 H new ATOM 0 HA VAL A 492 -6.260 7.770 5.090 1.00 0.00 H new ATOM 0 HB VAL A 492 -7.420 6.237 2.729 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.633 4.970 4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -6.870 4.812 4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -7.781 5.888 5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -9.614 7.031 3.522 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -8.802 8.038 4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -8.567 8.378 3.014 1.00 0.00 H new ATOM 700 N LEU A 493 -4.663 6.200 2.651 1.00 0.00 N ATOM 701 CA LEU A 493 -3.544 5.314 2.357 1.00 0.00 C ATOM 702 C LEU A 493 -2.247 5.852 2.953 1.00 0.00 C ATOM 703 O LEU A 493 -1.414 5.089 3.442 1.00 0.00 O ATOM 704 CB LEU A 493 -3.389 5.139 0.845 1.00 0.00 C ATOM 705 CG LEU A 493 -2.270 4.192 0.413 1.00 0.00 C ATOM 706 CD1 LEU A 493 -2.651 2.748 0.700 1.00 0.00 C ATOM 707 CD2 LEU A 493 -1.957 4.380 -1.065 1.00 0.00 C ATOM 0 H LEU A 493 -5.129 6.577 1.826 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.754 4.345 2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -4.332 4.772 0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -3.209 6.117 0.398 1.00 0.00 H new ATOM 0 HG LEU A 493 -1.375 4.430 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.842 2.089 0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -2.826 2.623 1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -3.559 2.495 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -1.158 3.699 -1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.848 4.169 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -1.640 5.408 -1.242 1.00 0.00 H new ATOM 719 N ALA A 494 -2.083 7.169 2.911 1.00 0.00 N ATOM 720 CA ALA A 494 -0.887 7.805 3.446 1.00 0.00 C ATOM 721 C ALA A 494 -0.811 7.650 4.961 1.00 0.00 C ATOM 722 O ALA A 494 0.272 7.505 5.528 1.00 0.00 O ATOM 723 CB ALA A 494 -0.854 9.277 3.063 1.00 0.00 C ATOM 0 H ALA A 494 -2.763 7.816 2.512 1.00 0.00 H new ATOM 0 HA ALA A 494 -0.019 7.308 3.012 1.00 0.00 H new ATOM 0 HB1 ALA A 494 0.046 9.739 3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -0.850 9.370 1.977 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -1.734 9.778 3.467 1.00 0.00 H new ATOM 729 N GLN A 495 -1.969 7.684 5.610 1.00 0.00 N ATOM 730 CA GLN A 495 -2.038 7.550 7.061 1.00 0.00 C ATOM 731 C GLN A 495 -1.984 6.084 7.482 1.00 0.00 C ATOM 732 O GLN A 495 -1.280 5.725 8.426 1.00 0.00 O ATOM 733 CB GLN A 495 -3.317 8.199 7.593 1.00 0.00 C ATOM 734 CG GLN A 495 -3.373 9.702 7.374 1.00 0.00 C ATOM 735 CD GLN A 495 -4.661 10.317 7.881 1.00 0.00 C ATOM 736 OE1 GLN A 495 -5.651 9.620 8.105 1.00 0.00 O ATOM 737 NE2 GLN A 495 -4.656 11.633 8.065 1.00 0.00 N ATOM 0 H GLN A 495 -2.874 7.803 5.154 1.00 0.00 H new ATOM 0 HA GLN A 495 -1.174 8.060 7.487 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -4.177 7.737 7.109 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -3.403 7.992 8.660 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -2.528 10.171 7.878 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -3.267 9.915 6.310 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -3.813 12.172 7.867 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -5.495 12.104 8.405 1.00 0.00 H new ATOM 746 N ILE A 496 -2.736 5.242 6.780 1.00 0.00 N ATOM 747 CA ILE A 496 -2.774 3.816 7.086 1.00 0.00 C ATOM 748 C ILE A 496 -1.384 3.197 6.994 1.00 0.00 C ATOM 749 O ILE A 496 -0.969 2.436 7.868 1.00 0.00 O ATOM 750 CB ILE A 496 -3.753 3.068 6.148 1.00 0.00 C ATOM 751 CG1 ILE A 496 -4.358 1.861 6.866 1.00 0.00 C ATOM 752 CG2 ILE A 496 -3.075 2.634 4.854 1.00 0.00 C ATOM 753 CD1 ILE A 496 -5.625 1.347 6.219 1.00 0.00 C ATOM 0 H ILE A 496 -3.326 5.522 5.997 1.00 0.00 H new ATOM 0 HA ILE A 496 -3.132 3.713 8.111 1.00 0.00 H new ATOM 0 HB ILE A 496 -4.552 3.761 5.883 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -3.622 1.058 6.893 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -4.572 2.133 7.900 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -3.795 2.113 4.223 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -2.700 3.512 4.328 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -2.245 1.967 5.084 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -5.999 0.491 6.781 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -6.378 2.135 6.216 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -5.413 1.044 5.194 1.00 0.00 H new ATOM 765 N LEU A 497 -0.671 3.532 5.926 1.00 0.00 N ATOM 766 CA LEU A 497 0.675 3.015 5.710 1.00 0.00 C ATOM 767 C LEU A 497 1.637 3.533 6.773 1.00 0.00 C ATOM 768 O LEU A 497 2.585 2.847 7.156 1.00 0.00 O ATOM 769 CB LEU A 497 1.176 3.404 4.318 1.00 0.00 C ATOM 770 CG LEU A 497 0.400 2.786 3.153 1.00 0.00 C ATOM 771 CD1 LEU A 497 0.847 3.391 1.832 1.00 0.00 C ATOM 772 CD2 LEU A 497 0.581 1.275 3.137 1.00 0.00 C ATOM 0 H LEU A 497 -1.003 4.161 5.194 1.00 0.00 H new ATOM 0 HA LEU A 497 0.634 1.928 5.784 1.00 0.00 H new ATOM 0 HB2 LEU A 497 1.137 4.489 4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 497 2.223 3.114 4.231 1.00 0.00 H new ATOM 0 HG LEU A 497 -0.659 3.006 3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 497 0.284 2.939 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 497 0.667 4.466 1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 497 1.911 3.203 1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 497 0.023 0.851 2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 497 1.639 1.036 3.025 1.00 0.00 H new ATOM 0 HD23 LEU A 497 0.211 0.854 4.072 1.00 0.00 H new ATOM 784 N LYS A 498 1.390 4.751 7.244 1.00 0.00 N ATOM 785 CA LYS A 498 2.237 5.364 8.262 1.00 0.00 C ATOM 786 C LYS A 498 2.261 4.523 9.534 1.00 0.00 C ATOM 787 O LYS A 498 3.324 4.259 10.094 1.00 0.00 O ATOM 788 CB LYS A 498 1.746 6.777 8.580 1.00 0.00 C ATOM 789 CG LYS A 498 2.644 7.530 9.548 1.00 0.00 C ATOM 790 CD LYS A 498 3.936 7.974 8.879 1.00 0.00 C ATOM 791 CE LYS A 498 4.808 8.779 9.830 1.00 0.00 C ATOM 792 NZ LYS A 498 5.471 9.921 9.143 1.00 0.00 N ATOM 0 H LYS A 498 0.611 5.333 6.937 1.00 0.00 H new ATOM 0 HA LYS A 498 3.252 5.418 7.867 1.00 0.00 H new ATOM 0 HB2 LYS A 498 1.670 7.344 7.652 1.00 0.00 H new ATOM 0 HB3 LYS A 498 0.742 6.718 9.000 1.00 0.00 H new ATOM 0 HG2 LYS A 498 2.115 8.401 9.934 1.00 0.00 H new ATOM 0 HG3 LYS A 498 2.875 6.893 10.402 1.00 0.00 H new ATOM 0 HD2 LYS A 498 4.486 7.100 8.531 1.00 0.00 H new ATOM 0 HD3 LYS A 498 3.704 8.575 8.000 1.00 0.00 H new ATOM 0 HE2 LYS A 498 4.198 9.154 10.652 1.00 0.00 H new ATOM 0 HE3 LYS A 498 5.566 8.128 10.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 6.056 10.444 9.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 6.073 9.562 8.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 4.748 10.556 8.748 1.00 0.00 H new ATOM 806 N ARG A 499 1.082 4.108 9.987 1.00 0.00 N ATOM 807 CA ARG A 499 0.971 3.299 11.195 1.00 0.00 C ATOM 808 C ARG A 499 1.717 1.978 11.038 1.00 0.00 C ATOM 809 O ARG A 499 2.369 1.508 11.970 1.00 0.00 O ATOM 810 CB ARG A 499 -0.499 3.031 11.523 1.00 0.00 C ATOM 811 CG ARG A 499 -1.282 4.285 11.872 1.00 0.00 C ATOM 812 CD ARG A 499 -2.636 3.947 12.475 1.00 0.00 C ATOM 813 NE ARG A 499 -2.521 3.481 13.855 1.00 0.00 N ATOM 814 CZ ARG A 499 -3.495 2.851 14.509 1.00 0.00 C ATOM 815 NH1 ARG A 499 -4.655 2.608 13.913 1.00 0.00 N ATOM 816 NH2 ARG A 499 -3.306 2.460 15.762 1.00 0.00 N ATOM 0 H ARG A 499 0.192 4.318 9.536 1.00 0.00 H new ATOM 0 HA ARG A 499 1.424 3.856 12.015 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -0.970 2.544 10.669 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -0.555 2.333 12.359 1.00 0.00 H new ATOM 0 HG2 ARG A 499 -0.709 4.888 12.576 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -1.422 4.889 10.975 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -3.277 4.828 12.442 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -3.119 3.178 11.872 1.00 0.00 H new ATOM 0 HE ARG A 499 -1.643 3.648 14.346 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -4.805 2.904 12.948 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -5.397 2.125 14.419 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -2.415 2.642 16.224 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -4.052 1.977 16.264 1.00 0.00 H new ATOM 830 N LEU A 500 1.620 1.386 9.853 1.00 0.00 N ATOM 831 CA LEU A 500 2.287 0.119 9.575 1.00 0.00 C ATOM 832 C LEU A 500 3.802 0.283 9.616 1.00 0.00 C ATOM 833 O LEU A 500 4.518 -0.587 10.112 1.00 0.00 O ATOM 834 CB LEU A 500 1.856 -0.420 8.211 1.00 0.00 C ATOM 835 CG LEU A 500 0.549 -1.213 8.211 1.00 0.00 C ATOM 836 CD1 LEU A 500 -0.645 -0.271 8.167 1.00 0.00 C ATOM 837 CD2 LEU A 500 0.511 -2.179 7.036 1.00 0.00 C ATOM 0 H LEU A 500 1.086 1.763 9.070 1.00 0.00 H new ATOM 0 HA LEU A 500 1.996 -0.594 10.346 1.00 0.00 H new ATOM 0 HB2 LEU A 500 1.754 0.418 7.522 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.650 -1.058 7.822 1.00 0.00 H new ATOM 0 HG LEU A 500 0.497 -1.792 9.133 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -1.567 -0.852 8.168 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -0.626 0.381 9.040 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -0.598 0.334 7.262 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -0.426 -2.735 7.052 1.00 0.00 H new ATOM 0 HD22 LEU A 500 0.586 -1.620 6.103 1.00 0.00 H new ATOM 0 HD23 LEU A 500 1.347 -2.875 7.110 1.00 0.00 H new ATOM 849 N ASN A 501 4.283 1.404 9.090 1.00 0.00 N ATOM 850 CA ASN A 501 5.714 1.687 9.064 1.00 0.00 C ATOM 851 C ASN A 501 6.486 0.556 8.384 1.00 0.00 C ATOM 852 O ASN A 501 7.427 0.003 8.956 1.00 0.00 O ATOM 853 CB ASN A 501 6.238 1.899 10.486 1.00 0.00 C ATOM 854 CG ASN A 501 7.301 2.978 10.557 1.00 0.00 C ATOM 855 OD1 ASN A 501 8.016 3.225 9.585 1.00 0.00 O ATOM 856 ND2 ASN A 501 7.411 3.627 11.709 1.00 0.00 N ATOM 0 H ASN A 501 3.702 2.133 8.675 1.00 0.00 H new ATOM 0 HA ASN A 501 5.867 2.599 8.488 1.00 0.00 H new ATOM 0 HB2 ASN A 501 5.408 2.167 11.140 1.00 0.00 H new ATOM 0 HB3 ASN A 501 6.650 0.962 10.862 1.00 0.00 H new ATOM 0 HD21 ASN A 501 8.109 4.363 11.815 1.00 0.00 H new ATOM 0 HD22 ASN A 501 6.798 3.390 12.489 1.00 0.00 H new ATOM 863 N PRO A 502 6.096 0.197 7.149 1.00 0.00 N ATOM 864 CA PRO A 502 6.756 -0.872 6.394 1.00 0.00 C ATOM 865 C PRO A 502 8.166 -0.489 5.959 1.00 0.00 C ATOM 866 O PRO A 502 8.438 0.672 5.652 1.00 0.00 O ATOM 867 CB PRO A 502 5.852 -1.056 5.172 1.00 0.00 C ATOM 868 CG PRO A 502 5.166 0.256 5.007 1.00 0.00 C ATOM 869 CD PRO A 502 4.984 0.805 6.394 1.00 0.00 C ATOM 0 HA PRO A 502 6.878 -1.776 6.991 1.00 0.00 H new ATOM 0 HB2 PRO A 502 6.432 -1.314 4.286 1.00 0.00 H new ATOM 0 HB3 PRO A 502 5.134 -1.861 5.328 1.00 0.00 H new ATOM 0 HG2 PRO A 502 5.761 0.933 4.394 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.205 0.134 4.506 1.00 0.00 H new ATOM 0 HD2 PRO A 502 5.038 1.894 6.406 1.00 0.00 H new ATOM 0 HD3 PRO A 502 4.016 0.529 6.812 1.00 0.00 H new ATOM 877 N GLU A 503 9.061 -1.473 5.935 1.00 0.00 N ATOM 878 CA GLU A 503 10.445 -1.238 5.537 1.00 0.00 C ATOM 879 C GLU A 503 10.515 -0.692 4.114 1.00 0.00 C ATOM 880 O GLU A 503 9.711 -1.060 3.258 1.00 0.00 O ATOM 881 CB GLU A 503 11.254 -2.532 5.640 1.00 0.00 C ATOM 882 CG GLU A 503 11.336 -3.088 7.052 1.00 0.00 C ATOM 883 CD GLU A 503 12.208 -4.325 7.144 1.00 0.00 C ATOM 884 OE1 GLU A 503 12.566 -4.881 6.085 1.00 0.00 O ATOM 885 OE2 GLU A 503 12.536 -4.737 8.277 1.00 0.00 O ATOM 0 H GLU A 503 8.853 -2.439 6.186 1.00 0.00 H new ATOM 0 HA GLU A 503 10.871 -0.497 6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 503 10.807 -3.283 4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 503 12.263 -2.350 5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 503 11.730 -2.320 7.718 1.00 0.00 H new ATOM 0 HG3 GLU A 503 10.332 -3.329 7.402 1.00 0.00 H new ATOM 892 N ARG A 504 11.482 0.187 3.869 1.00 0.00 N ATOM 893 CA ARG A 504 11.656 0.782 2.550 1.00 0.00 C ATOM 894 C ARG A 504 12.905 0.235 1.866 1.00 0.00 C ATOM 895 O ARG A 504 13.951 0.076 2.495 1.00 0.00 O ATOM 896 CB ARG A 504 11.748 2.305 2.663 1.00 0.00 C ATOM 897 CG ARG A 504 12.765 2.778 3.687 1.00 0.00 C ATOM 898 CD ARG A 504 12.101 3.146 5.005 1.00 0.00 C ATOM 899 NE ARG A 504 11.306 4.367 4.896 1.00 0.00 N ATOM 900 CZ ARG A 504 10.456 4.785 5.832 1.00 0.00 C ATOM 901 NH1 ARG A 504 10.288 4.084 6.946 1.00 0.00 N ATOM 902 NH2 ARG A 504 9.773 5.907 5.654 1.00 0.00 N ATOM 0 H ARG A 504 12.156 0.502 4.567 1.00 0.00 H new ATOM 0 HA ARG A 504 10.788 0.521 1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 504 12.007 2.718 1.688 1.00 0.00 H new ATOM 0 HB3 ARG A 504 10.768 2.701 2.927 1.00 0.00 H new ATOM 0 HG2 ARG A 504 13.503 1.994 3.857 1.00 0.00 H new ATOM 0 HG3 ARG A 504 13.302 3.642 3.295 1.00 0.00 H new ATOM 0 HD2 ARG A 504 11.462 2.325 5.330 1.00 0.00 H new ATOM 0 HD3 ARG A 504 12.865 3.278 5.771 1.00 0.00 H new ATOM 0 HE ARG A 504 11.408 4.933 4.053 1.00 0.00 H new ATOM 0 HH11 ARG A 504 10.811 3.220 7.089 1.00 0.00 H new ATOM 0 HH12 ARG A 504 9.636 4.409 7.660 1.00 0.00 H new ATOM 0 HH21 ARG A 504 9.898 6.450 4.800 1.00 0.00 H new ATOM 0 HH22 ARG A 504 9.122 6.227 6.371 1.00 0.00 H new ATOM 916 N LYS A 505 12.788 -0.049 0.573 1.00 0.00 N ATOM 917 CA LYS A 505 13.907 -0.578 -0.199 1.00 0.00 C ATOM 918 C LYS A 505 14.128 0.242 -1.466 1.00 0.00 C ATOM 919 O LYS A 505 13.175 0.714 -2.086 1.00 0.00 O ATOM 920 CB LYS A 505 13.656 -2.043 -0.562 1.00 0.00 C ATOM 921 CG LYS A 505 13.541 -2.958 0.647 1.00 0.00 C ATOM 922 CD LYS A 505 13.403 -4.414 0.232 1.00 0.00 C ATOM 923 CE LYS A 505 13.159 -5.314 1.433 1.00 0.00 C ATOM 924 NZ LYS A 505 14.390 -5.491 2.253 1.00 0.00 N ATOM 0 H LYS A 505 11.929 0.078 0.037 1.00 0.00 H new ATOM 0 HA LYS A 505 14.805 -0.513 0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 505 12.739 -2.112 -1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 505 14.468 -2.395 -1.198 1.00 0.00 H new ATOM 0 HG2 LYS A 505 14.421 -2.840 1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 505 12.678 -2.666 1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 505 12.579 -4.516 -0.474 1.00 0.00 H new ATOM 0 HD3 LYS A 505 14.307 -4.733 -0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 505 12.369 -4.888 2.051 1.00 0.00 H new ATOM 0 HE3 LYS A 505 12.807 -6.287 1.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 14.182 -6.111 3.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 15.136 -5.921 1.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 14.712 -4.565 2.600 1.00 0.00 H new ATOM 938 N MET A 506 15.391 0.407 -1.845 1.00 0.00 N ATOM 939 CA MET A 506 15.736 1.171 -3.039 1.00 0.00 C ATOM 940 C MET A 506 16.034 0.244 -4.212 1.00 0.00 C ATOM 941 O MET A 506 17.112 -0.347 -4.292 1.00 0.00 O ATOM 942 CB MET A 506 16.944 2.068 -2.763 1.00 0.00 C ATOM 943 CG MET A 506 16.676 3.147 -1.726 1.00 0.00 C ATOM 944 SD MET A 506 18.072 4.269 -1.514 1.00 0.00 S ATOM 945 CE MET A 506 17.495 5.274 -0.150 1.00 0.00 C ATOM 0 H MET A 506 16.192 0.023 -1.344 1.00 0.00 H new ATOM 0 HA MET A 506 14.881 1.794 -3.301 1.00 0.00 H new ATOM 0 HB2 MET A 506 17.776 1.450 -2.425 1.00 0.00 H new ATOM 0 HB3 MET A 506 17.256 2.540 -3.695 1.00 0.00 H new ATOM 0 HG2 MET A 506 15.797 3.719 -2.022 1.00 0.00 H new ATOM 0 HG3 MET A 506 16.444 2.677 -0.770 1.00 0.00 H new ATOM 0 HE1 MET A 506 18.252 6.018 0.099 1.00 0.00 H new ATOM 0 HE2 MET A 506 16.571 5.777 -0.434 1.00 0.00 H new ATOM 0 HE3 MET A 506 17.311 4.640 0.717 1.00 0.00 H new ATOM 955 N ILE A 507 15.073 0.120 -5.122 1.00 0.00 N ATOM 956 CA ILE A 507 15.233 -0.733 -6.293 1.00 0.00 C ATOM 957 C ILE A 507 15.070 0.067 -7.580 1.00 0.00 C ATOM 958 O ILE A 507 14.033 0.693 -7.806 1.00 0.00 O ATOM 959 CB ILE A 507 14.215 -1.891 -6.288 1.00 0.00 C ATOM 960 CG1 ILE A 507 14.247 -2.621 -4.945 1.00 0.00 C ATOM 961 CG2 ILE A 507 14.502 -2.856 -7.428 1.00 0.00 C ATOM 962 CD1 ILE A 507 13.200 -3.708 -4.823 1.00 0.00 C ATOM 0 H ILE A 507 14.175 0.600 -5.070 1.00 0.00 H new ATOM 0 HA ILE A 507 16.241 -1.146 -6.250 1.00 0.00 H new ATOM 0 HB ILE A 507 13.217 -1.477 -6.432 1.00 0.00 H new ATOM 0 HG12 ILE A 507 15.234 -3.061 -4.803 1.00 0.00 H new ATOM 0 HG13 ILE A 507 14.102 -1.897 -4.143 1.00 0.00 H new ATOM 0 HG21 ILE A 507 13.774 -3.667 -7.410 1.00 0.00 H new ATOM 0 HG22 ILE A 507 14.432 -2.327 -8.379 1.00 0.00 H new ATOM 0 HG23 ILE A 507 15.505 -3.266 -7.314 1.00 0.00 H new ATOM 0 HD11 ILE A 507 13.281 -4.183 -3.845 1.00 0.00 H new ATOM 0 HD12 ILE A 507 12.207 -3.271 -4.933 1.00 0.00 H new ATOM 0 HD13 ILE A 507 13.357 -4.453 -5.603 1.00 0.00 H new ATOM 974 N ASN A 508 16.099 0.045 -8.422 1.00 0.00 N ATOM 975 CA ASN A 508 16.069 0.771 -9.686 1.00 0.00 C ATOM 976 C ASN A 508 15.817 2.257 -9.455 1.00 0.00 C ATOM 977 O ASN A 508 15.053 2.890 -10.184 1.00 0.00 O ATOM 978 CB ASN A 508 14.989 0.194 -10.604 1.00 0.00 C ATOM 979 CG ASN A 508 15.151 -1.297 -10.823 1.00 0.00 C ATOM 980 OD1 ASN A 508 14.190 -2.060 -10.719 1.00 0.00 O ATOM 981 ND2 ASN A 508 16.372 -1.721 -11.127 1.00 0.00 N ATOM 0 H ASN A 508 16.964 -0.468 -8.251 1.00 0.00 H new ATOM 0 HA ASN A 508 17.042 0.657 -10.165 1.00 0.00 H new ATOM 0 HB2 ASN A 508 14.007 0.390 -10.173 1.00 0.00 H new ATOM 0 HB3 ASN A 508 15.023 0.705 -11.566 1.00 0.00 H new ATOM 0 HD21 ASN A 508 16.542 -2.714 -11.285 1.00 0.00 H new ATOM 0 HD22 ASN A 508 17.139 -1.053 -11.203 1.00 0.00 H new ATOM 988 N ASP A 509 16.464 2.809 -8.433 1.00 0.00 N ATOM 989 CA ASP A 509 16.312 4.221 -8.101 1.00 0.00 C ATOM 990 C ASP A 509 14.865 4.540 -7.738 1.00 0.00 C ATOM 991 O ASP A 509 14.358 5.617 -8.051 1.00 0.00 O ATOM 992 CB ASP A 509 16.761 5.094 -9.274 1.00 0.00 C ATOM 993 CG ASP A 509 18.239 4.945 -9.574 1.00 0.00 C ATOM 994 OD1 ASP A 509 18.977 4.451 -8.695 1.00 0.00 O ATOM 995 OD2 ASP A 509 18.660 5.321 -10.688 1.00 0.00 O ATOM 0 H ASP A 509 17.100 2.299 -7.820 1.00 0.00 H new ATOM 0 HA ASP A 509 16.941 4.436 -7.237 1.00 0.00 H new ATOM 0 HB2 ASP A 509 16.185 4.830 -10.161 1.00 0.00 H new ATOM 0 HB3 ASP A 509 16.542 6.138 -9.051 1.00 0.00 H new ATOM 1000 N LYS A 510 14.206 3.596 -7.074 1.00 0.00 N ATOM 1001 CA LYS A 510 12.817 3.775 -6.665 1.00 0.00 C ATOM 1002 C LYS A 510 12.600 3.268 -5.243 1.00 0.00 C ATOM 1003 O LYS A 510 13.303 2.370 -4.780 1.00 0.00 O ATOM 1004 CB LYS A 510 11.880 3.045 -7.629 1.00 0.00 C ATOM 1005 CG LYS A 510 12.008 3.509 -9.070 1.00 0.00 C ATOM 1006 CD LYS A 510 11.545 4.946 -9.237 1.00 0.00 C ATOM 1007 CE LYS A 510 11.545 5.366 -10.699 1.00 0.00 C ATOM 1008 NZ LYS A 510 10.504 4.647 -11.483 1.00 0.00 N ATOM 0 H LYS A 510 14.611 2.699 -6.807 1.00 0.00 H new ATOM 0 HA LYS A 510 12.591 4.841 -6.690 1.00 0.00 H new ATOM 0 HB2 LYS A 510 12.084 1.975 -7.581 1.00 0.00 H new ATOM 0 HB3 LYS A 510 10.851 3.188 -7.300 1.00 0.00 H new ATOM 0 HG2 LYS A 510 13.046 3.421 -9.391 1.00 0.00 H new ATOM 0 HG3 LYS A 510 11.419 2.859 -9.716 1.00 0.00 H new ATOM 0 HD2 LYS A 510 10.542 5.056 -8.826 1.00 0.00 H new ATOM 0 HD3 LYS A 510 12.197 5.608 -8.667 1.00 0.00 H new ATOM 0 HE2 LYS A 510 11.374 6.440 -10.768 1.00 0.00 H new ATOM 0 HE3 LYS A 510 12.526 5.171 -11.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 10.385 5.109 -12.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 10.797 3.659 -11.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 9.602 4.670 -10.966 1.00 0.00 H new ATOM 1022 N MET A 511 11.621 3.848 -4.556 1.00 0.00 N ATOM 1023 CA MET A 511 11.312 3.453 -3.187 1.00 0.00 C ATOM 1024 C MET A 511 10.181 2.430 -3.157 1.00 0.00 C ATOM 1025 O MET A 511 9.118 2.647 -3.739 1.00 0.00 O ATOM 1026 CB MET A 511 10.929 4.678 -2.354 1.00 0.00 C ATOM 1027 CG MET A 511 12.070 5.666 -2.167 1.00 0.00 C ATOM 1028 SD MET A 511 11.632 7.031 -1.073 1.00 0.00 S ATOM 1029 CE MET A 511 13.119 8.026 -1.163 1.00 0.00 C ATOM 0 H MET A 511 11.029 4.592 -4.925 1.00 0.00 H new ATOM 0 HA MET A 511 12.203 2.995 -2.758 1.00 0.00 H new ATOM 0 HB2 MET A 511 10.093 5.187 -2.834 1.00 0.00 H new ATOM 0 HB3 MET A 511 10.581 4.348 -1.375 1.00 0.00 H new ATOM 0 HG2 MET A 511 12.936 5.143 -1.761 1.00 0.00 H new ATOM 0 HG3 MET A 511 12.364 6.064 -3.138 1.00 0.00 H new ATOM 0 HE1 MET A 511 13.003 8.911 -0.537 1.00 0.00 H new ATOM 0 HE2 MET A 511 13.970 7.442 -0.812 1.00 0.00 H new ATOM 0 HE3 MET A 511 13.290 8.332 -2.195 1.00 0.00 H new ATOM 1039 N HIS A 512 10.418 1.315 -2.475 1.00 0.00 N ATOM 1040 CA HIS A 512 9.421 0.256 -2.369 1.00 0.00 C ATOM 1041 C HIS A 512 9.222 -0.159 -0.915 1.00 0.00 C ATOM 1042 O HIS A 512 10.146 -0.084 -0.106 1.00 0.00 O ATOM 1043 CB HIS A 512 9.839 -0.955 -3.204 1.00 0.00 C ATOM 1044 CG HIS A 512 9.716 -0.737 -4.680 1.00 0.00 C ATOM 1045 ND1 HIS A 512 8.744 -1.099 -5.551 1.00 0.00 N flip ATOM 1046 CD2 HIS A 512 10.669 -0.075 -5.426 1.00 0.00 C flip ATOM 1047 CE1 HIS A 512 9.124 -0.653 -6.792 1.00 0.00 C flip ATOM 1048 NE2 HIS A 512 10.288 -0.039 -6.690 1.00 0.00 N flip ATOM 0 H HIS A 512 11.292 1.121 -1.987 1.00 0.00 H new ATOM 0 HA HIS A 512 8.476 0.642 -2.752 1.00 0.00 H new ATOM 0 HB2 HIS A 512 10.872 -1.209 -2.968 1.00 0.00 H new ATOM 0 HB3 HIS A 512 9.227 -1.811 -2.919 1.00 0.00 H new ATOM 0 HD1 HIS A 512 7.889 -1.608 -5.326 1.00 0.00 H new ATOM 0 HD2 HIS A 512 11.584 0.348 -5.037 1.00 0.00 H new ATOM 0 HE1 HIS A 512 8.561 -0.783 -7.705 1.00 0.00 H new ATOM 1057 N PHE A 513 8.011 -0.601 -0.590 1.00 0.00 N ATOM 1058 CA PHE A 513 7.692 -1.029 0.766 1.00 0.00 C ATOM 1059 C PHE A 513 7.567 -2.547 0.841 1.00 0.00 C ATOM 1060 O PHE A 513 6.875 -3.163 0.031 1.00 0.00 O ATOM 1061 CB PHE A 513 6.393 -0.375 1.238 1.00 0.00 C ATOM 1062 CG PHE A 513 6.464 1.124 1.301 1.00 0.00 C ATOM 1063 CD1 PHE A 513 7.003 1.759 2.410 1.00 0.00 C ATOM 1064 CD2 PHE A 513 5.995 1.899 0.253 1.00 0.00 C ATOM 1065 CE1 PHE A 513 7.071 3.138 2.472 1.00 0.00 C ATOM 1066 CE2 PHE A 513 6.060 3.278 0.309 1.00 0.00 C ATOM 1067 CZ PHE A 513 6.599 3.899 1.419 1.00 0.00 C ATOM 0 H PHE A 513 7.235 -0.672 -1.248 1.00 0.00 H new ATOM 0 HA PHE A 513 8.506 -0.716 1.420 1.00 0.00 H new ATOM 0 HB2 PHE A 513 5.585 -0.664 0.566 1.00 0.00 H new ATOM 0 HB3 PHE A 513 6.140 -0.760 2.226 1.00 0.00 H new ATOM 0 HD1 PHE A 513 7.374 1.169 3.235 1.00 0.00 H new ATOM 0 HD2 PHE A 513 5.574 1.420 -0.618 1.00 0.00 H new ATOM 0 HE1 PHE A 513 7.492 3.620 3.342 1.00 0.00 H new ATOM 0 HE2 PHE A 513 5.690 3.870 -0.515 1.00 0.00 H new ATOM 0 HZ PHE A 513 6.652 4.977 1.464 1.00 0.00 H new ATOM 1077 N SER A 514 8.242 -3.144 1.818 1.00 0.00 N ATOM 1078 CA SER A 514 8.207 -4.592 1.997 1.00 0.00 C ATOM 1079 C SER A 514 8.131 -4.956 3.476 1.00 0.00 C ATOM 1080 O SER A 514 8.767 -4.320 4.316 1.00 0.00 O ATOM 1081 CB SER A 514 9.443 -5.235 1.365 1.00 0.00 C ATOM 1082 OG SER A 514 9.368 -6.649 1.426 1.00 0.00 O ATOM 0 H SER A 514 8.819 -2.649 2.497 1.00 0.00 H new ATOM 0 HA SER A 514 7.314 -4.972 1.501 1.00 0.00 H new ATOM 0 HB2 SER A 514 9.532 -4.917 0.326 1.00 0.00 H new ATOM 0 HB3 SER A 514 10.340 -4.892 1.881 1.00 0.00 H new ATOM 0 HG SER A 514 10.168 -7.037 1.014 1.00 0.00 H new ATOM 1088 N LEU A 515 7.347 -5.984 3.787 1.00 0.00 N ATOM 1089 CA LEU A 515 7.187 -6.434 5.165 1.00 0.00 C ATOM 1090 C LEU A 515 7.537 -7.913 5.298 1.00 0.00 C ATOM 1091 O LEU A 515 7.226 -8.716 4.419 1.00 0.00 O ATOM 1092 CB LEU A 515 5.752 -6.192 5.639 1.00 0.00 C ATOM 1093 CG LEU A 515 5.508 -4.830 6.290 1.00 0.00 C ATOM 1094 CD1 LEU A 515 4.041 -4.443 6.182 1.00 0.00 C ATOM 1095 CD2 LEU A 515 5.951 -4.850 7.745 1.00 0.00 C ATOM 0 H LEU A 515 6.813 -6.521 3.103 1.00 0.00 H new ATOM 0 HA LEU A 515 7.870 -5.860 5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 515 5.081 -6.296 4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 515 5.484 -6.972 6.352 1.00 0.00 H new ATOM 0 HG LEU A 515 6.099 -4.083 5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 515 3.886 -3.471 6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 515 3.755 -4.389 5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 515 3.429 -5.191 6.687 1.00 0.00 H new ATOM 0 HD21 LEU A 515 5.771 -3.873 8.194 1.00 0.00 H new ATOM 0 HD22 LEU A 515 5.386 -5.608 8.287 1.00 0.00 H new ATOM 0 HD23 LEU A 515 7.014 -5.083 7.798 1.00 0.00 H new ATOM 1107 N LYS A 516 8.184 -8.265 6.404 1.00 0.00 N ATOM 1108 CA LYS A 516 8.575 -9.647 6.654 1.00 0.00 C ATOM 1109 C LYS A 516 7.784 -10.234 7.819 1.00 0.00 C ATOM 1110 O LYS A 516 8.156 -10.067 8.981 1.00 0.00 O ATOM 1111 CB LYS A 516 10.074 -9.730 6.946 1.00 0.00 C ATOM 1112 CG LYS A 516 10.946 -9.301 5.777 1.00 0.00 C ATOM 1113 CD LYS A 516 12.422 -9.504 6.079 1.00 0.00 C ATOM 1114 CE LYS A 516 13.298 -8.958 4.964 1.00 0.00 C ATOM 1115 NZ LYS A 516 14.700 -8.738 5.416 1.00 0.00 N ATOM 0 H LYS A 516 8.449 -7.612 7.142 1.00 0.00 H new ATOM 0 HA LYS A 516 8.354 -10.229 5.759 1.00 0.00 H new ATOM 0 HB2 LYS A 516 10.303 -9.104 7.808 1.00 0.00 H new ATOM 0 HB3 LYS A 516 10.326 -10.754 7.220 1.00 0.00 H new ATOM 0 HG2 LYS A 516 10.673 -9.872 4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 516 10.761 -8.251 5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 516 12.674 -9.009 7.017 1.00 0.00 H new ATOM 0 HD3 LYS A 516 12.624 -10.566 6.215 1.00 0.00 H new ATOM 0 HE2 LYS A 516 13.292 -9.653 4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 516 12.881 -8.018 4.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 15.265 -8.365 4.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 14.709 -8.055 6.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 15.107 -9.640 5.737 1.00 0.00 H new ATOM 1129 N GLU A 517 6.693 -10.922 7.500 1.00 0.00 N ATOM 1130 CA GLU A 517 5.850 -11.533 8.520 1.00 0.00 C ATOM 1131 C GLU A 517 5.289 -10.477 9.468 1.00 0.00 C ATOM 1132 O GLU A 517 5.992 -10.121 10.437 1.00 0.00 O ATOM 1133 CB GLU A 517 6.643 -12.576 9.311 1.00 0.00 C ATOM 1134 CG GLU A 517 7.152 -13.728 8.459 1.00 0.00 C ATOM 1135 CD GLU A 517 7.860 -14.788 9.278 1.00 0.00 C ATOM 1136 OE1 GLU A 517 9.020 -14.554 9.677 1.00 0.00 O ATOM 1137 OE2 GLU A 517 7.255 -15.854 9.520 1.00 0.00 O ATOM 1138 OXT GLU A 517 4.153 -10.016 9.232 1.00 0.00 O ATOM 0 H GLU A 517 6.372 -11.070 6.543 1.00 0.00 H new ATOM 0 HA GLU A 517 5.016 -12.025 8.019 1.00 0.00 H new ATOM 0 HB2 GLU A 517 7.491 -12.088 9.791 1.00 0.00 H new ATOM 0 HB3 GLU A 517 6.012 -12.974 10.106 1.00 0.00 H new ATOM 0 HG2 GLU A 517 6.314 -14.182 7.930 1.00 0.00 H new ATOM 0 HG3 GLU A 517 7.835 -13.342 7.702 1.00 0.00 H new