USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 470 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 465 HIS HE2 : A 465 HIS NE2 : A 502 ZNZN :(H bumps) USER MOD NoAdj-H: A 473 HIS HD1 : A 473 HIS ND1 : A 502 ZNZN :(H bumps) USER MOD Set 1.1: A 455 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 479 ASN : amide:sc= 1.17 K(o=1.2,f=-1.7) USER MOD Single : A 429 TYR OH : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 436 HIS : no HD1:sc= -0.0642 X(o=-0.064,f=-0.45) USER MOD Single : A 439 SER OG : rot 180:sc= -0.0508 USER MOD Single : A 440 SER OG : rot 54:sc= 0.296 USER MOD Single : A 441 GLN : amide:sc= 0.544 K(o=0.54,f=-0.031) USER MOD Single : A 447 CYS SG : rot -161:sc= -0.971! USER MOD Single : A 450 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 454 LYS NZ :NH3+ 165:sc= 1.24 (180deg=1.12) USER MOD Single : A 459 SER OG : rot -89:sc= 0.156 USER MOD Single : A 462 HIS : no HD1:sc=-0.000949 X(o=-0.00095,f=-0.091) USER MOD Single : A 466 SER OG : rot -94:sc= 0.0532 USER MOD Single : A 467 MET CE :methyl 163:sc= -0.0298 (180deg=-0.376) USER MOD Single : A 472 HIS : no HD1:sc= -0.441 K(o=-0.44,f=-3.3!) USER MOD Single : A 474 SER OG : rot 180:sc= 0 USER MOD Single : A 477 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 480 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 ASN : amide:sc= 1.08 K(o=1.1,f=-4.6!) USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 426 25.343 -5.709 12.188 1.00 0.00 N ATOM 2 CA ILE A 426 24.141 -6.514 11.884 1.00 0.00 C ATOM 3 C ILE A 426 23.032 -5.607 11.349 1.00 0.00 C ATOM 4 O ILE A 426 22.854 -4.495 11.842 1.00 0.00 O ATOM 5 CB ILE A 426 23.671 -7.299 13.118 1.00 0.00 C ATOM 6 CG1 ILE A 426 24.806 -8.216 13.611 1.00 0.00 C ATOM 7 CG2 ILE A 426 22.428 -8.129 12.776 1.00 0.00 C ATOM 8 CD1 ILE A 426 24.417 -8.995 14.867 1.00 0.00 C ATOM 0 HA ILE A 426 24.395 -7.244 11.116 1.00 0.00 H new ATOM 0 HB ILE A 426 23.411 -6.597 13.910 1.00 0.00 H new ATOM 0 HG12 ILE A 426 25.074 -8.916 12.820 1.00 0.00 H new ATOM 0 HG13 ILE A 426 25.692 -7.615 13.818 1.00 0.00 H new ATOM 0 HG21 ILE A 426 22.105 -8.681 13.659 1.00 0.00 H new ATOM 0 HG22 ILE A 426 21.627 -7.466 12.449 1.00 0.00 H new ATOM 0 HG23 ILE A 426 22.668 -8.831 11.977 1.00 0.00 H new ATOM 0 HD11 ILE A 426 25.250 -9.627 15.176 1.00 0.00 H new ATOM 0 HD12 ILE A 426 24.175 -8.296 15.668 1.00 0.00 H new ATOM 0 HD13 ILE A 426 23.548 -9.618 14.654 1.00 0.00 H new ATOM 22 N ASP A 427 22.287 -6.080 10.349 1.00 0.00 N ATOM 23 CA ASP A 427 21.195 -5.340 9.745 1.00 0.00 C ATOM 24 C ASP A 427 20.091 -6.318 9.334 1.00 0.00 C ATOM 25 O ASP A 427 20.396 -7.357 8.749 1.00 0.00 O ATOM 26 CB ASP A 427 21.739 -4.564 8.546 1.00 0.00 C ATOM 27 CG ASP A 427 20.714 -3.592 7.969 1.00 0.00 C ATOM 28 OD1 ASP A 427 20.474 -2.555 8.621 1.00 0.00 O ATOM 29 OD2 ASP A 427 20.183 -3.899 6.877 1.00 0.00 O ATOM 0 H ASP A 427 22.433 -7.001 9.935 1.00 0.00 H new ATOM 0 HA ASP A 427 20.765 -4.629 10.451 1.00 0.00 H new ATOM 0 HB2 ASP A 427 22.629 -4.012 8.847 1.00 0.00 H new ATOM 0 HB3 ASP A 427 22.046 -5.266 7.771 1.00 0.00 H new ATOM 34 N PRO A 428 18.821 -6.012 9.628 1.00 0.00 N ATOM 35 CA PRO A 428 17.694 -6.879 9.327 1.00 0.00 C ATOM 36 C PRO A 428 17.398 -6.928 7.830 1.00 0.00 C ATOM 37 O PRO A 428 17.803 -6.045 7.076 1.00 0.00 O ATOM 38 CB PRO A 428 16.521 -6.291 10.111 1.00 0.00 C ATOM 39 CG PRO A 428 16.846 -4.800 10.150 1.00 0.00 C ATOM 40 CD PRO A 428 18.370 -4.800 10.291 1.00 0.00 C ATOM 0 HA PRO A 428 17.896 -7.912 9.610 1.00 0.00 H new ATOM 0 HB2 PRO A 428 15.569 -6.484 9.617 1.00 0.00 H new ATOM 0 HB3 PRO A 428 16.452 -6.715 11.113 1.00 0.00 H new ATOM 0 HG2 PRO A 428 16.522 -4.290 9.243 1.00 0.00 H new ATOM 0 HG3 PRO A 428 16.360 -4.300 10.988 1.00 0.00 H new ATOM 0 HD2 PRO A 428 18.807 -3.914 9.830 1.00 0.00 H new ATOM 0 HD3 PRO A 428 18.667 -4.792 11.340 1.00 0.00 H new ATOM 48 N TYR A 429 16.684 -7.966 7.397 1.00 0.00 N ATOM 49 CA TYR A 429 16.311 -8.148 6.003 1.00 0.00 C ATOM 50 C TYR A 429 14.900 -8.736 5.878 1.00 0.00 C ATOM 51 O TYR A 429 14.443 -9.027 4.777 1.00 0.00 O ATOM 52 CB TYR A 429 17.359 -9.046 5.332 1.00 0.00 C ATOM 53 CG TYR A 429 17.198 -9.176 3.831 1.00 0.00 C ATOM 54 CD1 TYR A 429 17.512 -8.093 2.998 1.00 0.00 C ATOM 55 CD2 TYR A 429 16.732 -10.375 3.275 1.00 0.00 C ATOM 56 CE1 TYR A 429 17.357 -8.205 1.607 1.00 0.00 C ATOM 57 CE2 TYR A 429 16.573 -10.496 1.884 1.00 0.00 C ATOM 58 CZ TYR A 429 16.885 -9.405 1.045 1.00 0.00 C ATOM 59 OH TYR A 429 16.728 -9.521 -0.303 1.00 0.00 O ATOM 0 H TYR A 429 16.348 -8.707 8.012 1.00 0.00 H new ATOM 0 HA TYR A 429 16.289 -7.182 5.499 1.00 0.00 H new ATOM 0 HB2 TYR A 429 18.351 -8.649 5.546 1.00 0.00 H new ATOM 0 HB3 TYR A 429 17.309 -10.039 5.779 1.00 0.00 H new ATOM 0 HD1 TYR A 429 17.874 -7.170 3.427 1.00 0.00 H new ATOM 0 HD2 TYR A 429 16.494 -11.209 3.918 1.00 0.00 H new ATOM 0 HE1 TYR A 429 17.600 -7.369 0.968 1.00 0.00 H new ATOM 0 HE2 TYR A 429 16.213 -11.421 1.458 1.00 0.00 H new ATOM 0 HH TYR A 429 16.394 -10.417 -0.518 1.00 0.00 H new ATOM 69 N LEU A 430 14.197 -8.910 7.000 1.00 0.00 N ATOM 70 CA LEU A 430 12.864 -9.494 6.996 1.00 0.00 C ATOM 71 C LEU A 430 11.857 -8.536 6.353 1.00 0.00 C ATOM 72 O LEU A 430 10.796 -8.972 5.908 1.00 0.00 O ATOM 73 CB LEU A 430 12.473 -9.839 8.439 1.00 0.00 C ATOM 74 CG LEU A 430 11.120 -10.554 8.537 1.00 0.00 C ATOM 75 CD1 LEU A 430 11.120 -11.865 7.753 1.00 0.00 C ATOM 76 CD2 LEU A 430 10.832 -10.859 10.005 1.00 0.00 C ATOM 0 H LEU A 430 14.537 -8.651 7.926 1.00 0.00 H new ATOM 0 HA LEU A 430 12.860 -10.407 6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 430 13.245 -10.471 8.878 1.00 0.00 H new ATOM 0 HB3 LEU A 430 12.438 -8.923 9.029 1.00 0.00 H new ATOM 0 HG LEU A 430 10.356 -9.902 8.114 1.00 0.00 H new ATOM 0 HD11 LEU A 430 10.145 -12.344 7.845 1.00 0.00 H new ATOM 0 HD12 LEU A 430 11.326 -11.661 6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 430 11.889 -12.527 8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 430 9.872 -11.368 10.089 1.00 0.00 H new ATOM 0 HD22 LEU A 430 11.618 -11.499 10.405 1.00 0.00 H new ATOM 0 HD23 LEU A 430 10.800 -9.928 10.571 1.00 0.00 H new ATOM 88 N GLU A 431 12.182 -7.242 6.302 1.00 0.00 N ATOM 89 CA GLU A 431 11.307 -6.241 5.702 1.00 0.00 C ATOM 90 C GLU A 431 11.345 -6.308 4.173 1.00 0.00 C ATOM 91 O GLU A 431 10.676 -5.523 3.508 1.00 0.00 O ATOM 92 CB GLU A 431 11.679 -4.851 6.217 1.00 0.00 C ATOM 93 CG GLU A 431 13.104 -4.454 5.823 1.00 0.00 C ATOM 94 CD GLU A 431 13.442 -3.059 6.341 1.00 0.00 C ATOM 95 OE1 GLU A 431 13.877 -2.967 7.513 1.00 0.00 O ATOM 96 OE2 GLU A 431 13.262 -2.093 5.562 1.00 0.00 O ATOM 0 H GLU A 431 13.053 -6.864 6.674 1.00 0.00 H new ATOM 0 HA GLU A 431 10.280 -6.453 5.998 1.00 0.00 H new ATOM 0 HB2 GLU A 431 10.976 -4.118 5.821 1.00 0.00 H new ATOM 0 HB3 GLU A 431 11.584 -4.830 7.303 1.00 0.00 H new ATOM 0 HG2 GLU A 431 13.812 -5.178 6.226 1.00 0.00 H new ATOM 0 HG3 GLU A 431 13.206 -4.478 4.738 1.00 0.00 H new ATOM 103 N ASP A 432 12.124 -7.241 3.618 1.00 0.00 N ATOM 104 CA ASP A 432 12.221 -7.458 2.182 1.00 0.00 C ATOM 105 C ASP A 432 11.658 -8.826 1.797 1.00 0.00 C ATOM 106 O ASP A 432 11.733 -9.217 0.633 1.00 0.00 O ATOM 107 CB ASP A 432 13.678 -7.308 1.731 1.00 0.00 C ATOM 108 CG ASP A 432 14.208 -5.901 1.999 1.00 0.00 C ATOM 109 OD1 ASP A 432 13.887 -4.999 1.190 1.00 0.00 O ATOM 110 OD2 ASP A 432 14.928 -5.729 3.007 1.00 0.00 O ATOM 0 H ASP A 432 12.710 -7.872 4.165 1.00 0.00 H new ATOM 0 HA ASP A 432 11.622 -6.705 1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 432 14.298 -8.036 2.254 1.00 0.00 H new ATOM 0 HB3 ASP A 432 13.755 -7.530 0.666 1.00 0.00 H new ATOM 115 N SER A 433 11.096 -9.554 2.771 1.00 0.00 N ATOM 116 CA SER A 433 10.532 -10.882 2.553 1.00 0.00 C ATOM 117 C SER A 433 9.217 -11.070 3.309 1.00 0.00 C ATOM 118 O SER A 433 8.646 -12.160 3.283 1.00 0.00 O ATOM 119 CB SER A 433 11.537 -11.952 2.977 1.00 0.00 C ATOM 120 OG SER A 433 12.741 -11.816 2.252 1.00 0.00 O ATOM 0 H SER A 433 11.022 -9.232 3.736 1.00 0.00 H new ATOM 0 HA SER A 433 10.320 -10.982 1.489 1.00 0.00 H new ATOM 0 HB2 SER A 433 11.738 -11.868 4.045 1.00 0.00 H new ATOM 0 HB3 SER A 433 11.115 -12.943 2.809 1.00 0.00 H new ATOM 0 HG SER A 433 13.374 -12.508 2.537 1.00 0.00 H new ATOM 126 N LEU A 434 8.739 -10.019 3.983 1.00 0.00 N ATOM 127 CA LEU A 434 7.502 -10.037 4.736 1.00 0.00 C ATOM 128 C LEU A 434 6.859 -8.652 4.633 1.00 0.00 C ATOM 129 O LEU A 434 7.556 -7.673 4.369 1.00 0.00 O ATOM 130 CB LEU A 434 7.854 -10.394 6.185 1.00 0.00 C ATOM 131 CG LEU A 434 6.642 -10.725 7.040 1.00 0.00 C ATOM 132 CD1 LEU A 434 5.868 -11.931 6.509 1.00 0.00 C ATOM 133 CD2 LEU A 434 7.126 -11.067 8.450 1.00 0.00 C ATOM 0 H LEU A 434 9.218 -9.119 4.015 1.00 0.00 H new ATOM 0 HA LEU A 434 6.792 -10.770 4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 434 8.533 -11.247 6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 434 8.390 -9.559 6.636 1.00 0.00 H new ATOM 0 HG LEU A 434 5.980 -9.859 7.027 1.00 0.00 H new ATOM 0 HD11 LEU A 434 5.012 -12.127 7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 434 5.520 -11.723 5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 434 6.520 -12.805 6.496 1.00 0.00 H new ATOM 0 HD21 LEU A 434 6.270 -11.308 9.080 1.00 0.00 H new ATOM 0 HD22 LEU A 434 7.797 -11.925 8.406 1.00 0.00 H new ATOM 0 HD23 LEU A 434 7.656 -10.212 8.870 1.00 0.00 H new ATOM 145 N CYS A 435 5.540 -8.557 4.844 1.00 0.00 N ATOM 146 CA CYS A 435 4.862 -7.268 4.816 1.00 0.00 C ATOM 147 C CYS A 435 5.452 -6.351 5.893 1.00 0.00 C ATOM 148 O CYS A 435 5.851 -6.817 6.960 1.00 0.00 O ATOM 149 CB CYS A 435 3.361 -7.490 4.993 1.00 0.00 C ATOM 150 SG CYS A 435 2.517 -5.899 5.016 1.00 0.00 S ATOM 0 H CYS A 435 4.931 -9.353 5.034 1.00 0.00 H new ATOM 0 HA CYS A 435 5.013 -6.773 3.857 1.00 0.00 H new ATOM 0 HB2 CYS A 435 2.976 -8.106 4.181 1.00 0.00 H new ATOM 0 HB3 CYS A 435 3.169 -8.029 5.921 1.00 0.00 H new ATOM 155 N HIS A 436 5.512 -5.047 5.614 1.00 0.00 N ATOM 156 CA HIS A 436 6.214 -4.101 6.471 1.00 0.00 C ATOM 157 C HIS A 436 5.291 -3.368 7.449 1.00 0.00 C ATOM 158 O HIS A 436 5.780 -2.724 8.376 1.00 0.00 O ATOM 159 CB HIS A 436 6.969 -3.114 5.582 1.00 0.00 C ATOM 160 CG HIS A 436 7.869 -2.182 6.354 1.00 0.00 C ATOM 161 ND1 HIS A 436 9.066 -2.543 6.978 1.00 0.00 N ATOM 162 CD2 HIS A 436 7.637 -0.850 6.551 1.00 0.00 C ATOM 163 CE1 HIS A 436 9.527 -1.409 7.534 1.00 0.00 C ATOM 164 NE2 HIS A 436 8.694 -0.382 7.295 1.00 0.00 N ATOM 0 H HIS A 436 5.078 -4.624 4.794 1.00 0.00 H new ATOM 0 HA HIS A 436 6.909 -4.661 7.097 1.00 0.00 H new ATOM 0 HB2 HIS A 436 7.567 -3.670 4.860 1.00 0.00 H new ATOM 0 HB3 HIS A 436 6.250 -2.525 5.013 1.00 0.00 H new ATOM 0 HD2 HIS A 436 6.793 -0.279 6.194 1.00 0.00 H new ATOM 0 HE1 HIS A 436 10.445 -1.333 8.098 1.00 0.00 H new ATOM 0 HE2 HIS A 436 8.824 0.579 7.611 1.00 0.00 H new ATOM 172 N ILE A 437 3.972 -3.453 7.260 1.00 0.00 N ATOM 173 CA ILE A 437 3.029 -2.724 8.107 1.00 0.00 C ATOM 174 C ILE A 437 2.282 -3.671 9.041 1.00 0.00 C ATOM 175 O ILE A 437 1.852 -3.258 10.119 1.00 0.00 O ATOM 176 CB ILE A 437 2.037 -1.959 7.226 1.00 0.00 C ATOM 177 CG1 ILE A 437 2.731 -1.055 6.204 1.00 0.00 C ATOM 178 CG2 ILE A 437 1.099 -1.107 8.087 1.00 0.00 C ATOM 179 CD1 ILE A 437 3.656 -0.016 6.853 1.00 0.00 C ATOM 0 H ILE A 437 3.536 -4.017 6.531 1.00 0.00 H new ATOM 0 HA ILE A 437 3.588 -2.020 8.723 1.00 0.00 H new ATOM 0 HB ILE A 437 1.468 -2.712 6.680 1.00 0.00 H new ATOM 0 HG12 ILE A 437 3.311 -1.671 5.517 1.00 0.00 H new ATOM 0 HG13 ILE A 437 1.976 -0.540 5.610 1.00 0.00 H new ATOM 0 HG21 ILE A 437 0.401 -0.571 7.444 1.00 0.00 H new ATOM 0 HG22 ILE A 437 0.543 -1.752 8.767 1.00 0.00 H new ATOM 0 HG23 ILE A 437 1.684 -0.391 8.664 1.00 0.00 H new ATOM 0 HD11 ILE A 437 4.119 0.594 6.077 1.00 0.00 H new ATOM 0 HD12 ILE A 437 3.075 0.622 7.519 1.00 0.00 H new ATOM 0 HD13 ILE A 437 4.432 -0.526 7.424 1.00 0.00 H new ATOM 191 N CYS A 438 2.126 -4.931 8.638 1.00 0.00 N ATOM 192 CA CYS A 438 1.363 -5.902 9.410 1.00 0.00 C ATOM 193 C CYS A 438 2.066 -7.258 9.502 1.00 0.00 C ATOM 194 O CYS A 438 1.724 -8.047 10.384 1.00 0.00 O ATOM 195 CB CYS A 438 -0.023 -6.034 8.769 1.00 0.00 C ATOM 196 SG CYS A 438 0.139 -6.366 6.995 1.00 0.00 S ATOM 0 H CYS A 438 2.522 -5.302 7.775 1.00 0.00 H new ATOM 0 HA CYS A 438 1.272 -5.549 10.437 1.00 0.00 H new ATOM 0 HB2 CYS A 438 -0.578 -6.840 9.248 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -0.593 -5.118 8.925 1.00 0.00 H new ATOM 201 N SER A 439 3.029 -7.523 8.612 1.00 0.00 N ATOM 202 CA SER A 439 3.804 -8.762 8.575 1.00 0.00 C ATOM 203 C SER A 439 2.953 -10.019 8.778 1.00 0.00 C ATOM 204 O SER A 439 3.450 -11.032 9.273 1.00 0.00 O ATOM 205 CB SER A 439 5.013 -8.696 9.519 1.00 0.00 C ATOM 206 OG SER A 439 4.673 -8.135 10.772 1.00 0.00 O ATOM 0 H SER A 439 3.295 -6.864 7.881 1.00 0.00 H new ATOM 0 HA SER A 439 4.195 -8.853 7.562 1.00 0.00 H new ATOM 0 HB2 SER A 439 5.413 -9.699 9.667 1.00 0.00 H new ATOM 0 HB3 SER A 439 5.802 -8.102 9.057 1.00 0.00 H new ATOM 0 HG SER A 439 5.467 -8.111 11.346 1.00 0.00 H new ATOM 212 N SER A 440 1.673 -9.964 8.402 1.00 0.00 N ATOM 213 CA SER A 440 0.758 -11.085 8.525 1.00 0.00 C ATOM 214 C SER A 440 0.719 -11.878 7.225 1.00 0.00 C ATOM 215 O SER A 440 0.161 -12.972 7.188 1.00 0.00 O ATOM 216 CB SER A 440 -0.630 -10.538 8.856 1.00 0.00 C ATOM 217 OG SER A 440 -0.636 -10.011 10.167 1.00 0.00 O ATOM 0 H SER A 440 1.246 -9.129 8.001 1.00 0.00 H new ATOM 0 HA SER A 440 1.092 -11.754 9.318 1.00 0.00 H new ATOM 0 HB2 SER A 440 -0.905 -9.763 8.141 1.00 0.00 H new ATOM 0 HB3 SER A 440 -1.374 -11.330 8.769 1.00 0.00 H new ATOM 0 HG SER A 440 0.088 -9.357 10.260 1.00 0.00 H new ATOM 223 N GLN A 441 1.310 -11.326 6.163 1.00 0.00 N ATOM 224 CA GLN A 441 1.315 -11.931 4.848 1.00 0.00 C ATOM 225 C GLN A 441 2.692 -11.749 4.210 1.00 0.00 C ATOM 226 O GLN A 441 3.450 -10.879 4.642 1.00 0.00 O ATOM 227 CB GLN A 441 0.208 -11.287 4.010 1.00 0.00 C ATOM 228 CG GLN A 441 -1.129 -11.377 4.746 1.00 0.00 C ATOM 229 CD GLN A 441 -2.306 -10.986 3.865 1.00 0.00 C ATOM 230 OE1 GLN A 441 -2.999 -11.843 3.322 1.00 0.00 O ATOM 231 NE2 GLN A 441 -2.540 -9.689 3.713 1.00 0.00 N ATOM 0 H GLN A 441 1.803 -10.434 6.203 1.00 0.00 H new ATOM 0 HA GLN A 441 1.120 -13.002 4.911 1.00 0.00 H new ATOM 0 HB2 GLN A 441 0.453 -10.244 3.811 1.00 0.00 H new ATOM 0 HB3 GLN A 441 0.135 -11.787 3.044 1.00 0.00 H new ATOM 0 HG2 GLN A 441 -1.273 -12.395 5.108 1.00 0.00 H new ATOM 0 HG3 GLN A 441 -1.103 -10.728 5.621 1.00 0.00 H new ATOM 0 HE21 GLN A 441 -1.944 -9.005 4.179 1.00 0.00 H new ATOM 0 HE22 GLN A 441 -3.316 -9.376 3.130 1.00 0.00 H new ATOM 240 N PRO A 442 3.032 -12.549 3.190 1.00 0.00 N ATOM 241 CA PRO A 442 4.355 -12.601 2.577 1.00 0.00 C ATOM 242 C PRO A 442 4.848 -11.285 1.971 1.00 0.00 C ATOM 243 O PRO A 442 5.973 -11.225 1.481 1.00 0.00 O ATOM 244 CB PRO A 442 4.249 -13.669 1.485 1.00 0.00 C ATOM 245 CG PRO A 442 3.091 -14.548 1.944 1.00 0.00 C ATOM 246 CD PRO A 442 2.155 -13.533 2.588 1.00 0.00 C ATOM 0 HA PRO A 442 5.090 -12.823 3.351 1.00 0.00 H new ATOM 0 HB2 PRO A 442 4.051 -13.225 0.509 1.00 0.00 H new ATOM 0 HB3 PRO A 442 5.173 -14.240 1.394 1.00 0.00 H new ATOM 0 HG2 PRO A 442 2.618 -15.067 1.110 1.00 0.00 H new ATOM 0 HG3 PRO A 442 3.414 -15.311 2.652 1.00 0.00 H new ATOM 0 HD2 PRO A 442 1.497 -13.077 1.848 1.00 0.00 H new ATOM 0 HD3 PRO A 442 1.516 -14.003 3.336 1.00 0.00 H new ATOM 254 N GLY A 443 4.032 -10.226 1.992 1.00 0.00 N ATOM 255 CA GLY A 443 4.395 -8.960 1.375 1.00 0.00 C ATOM 256 C GLY A 443 4.458 -9.106 -0.147 1.00 0.00 C ATOM 257 O GLY A 443 5.505 -8.852 -0.742 1.00 0.00 O ATOM 0 H GLY A 443 3.113 -10.228 2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 443 3.666 -8.195 1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 443 5.361 -8.627 1.755 1.00 0.00 H new ATOM 261 N PRO A 444 3.353 -9.522 -0.783 1.00 0.00 N ATOM 262 CA PRO A 444 3.299 -9.839 -2.203 1.00 0.00 C ATOM 263 C PRO A 444 3.364 -8.588 -3.080 1.00 0.00 C ATOM 264 O PRO A 444 3.477 -8.705 -4.301 1.00 0.00 O ATOM 265 CB PRO A 444 1.955 -10.544 -2.388 1.00 0.00 C ATOM 266 CG PRO A 444 1.083 -9.875 -1.330 1.00 0.00 C ATOM 267 CD PRO A 444 2.055 -9.721 -0.166 1.00 0.00 C ATOM 0 HA PRO A 444 4.150 -10.451 -2.502 1.00 0.00 H new ATOM 0 HB2 PRO A 444 1.556 -10.401 -3.392 1.00 0.00 H new ATOM 0 HB3 PRO A 444 2.035 -11.619 -2.227 1.00 0.00 H new ATOM 0 HG2 PRO A 444 0.697 -8.914 -1.668 1.00 0.00 H new ATOM 0 HG3 PRO A 444 0.222 -10.488 -1.064 1.00 0.00 H new ATOM 0 HD2 PRO A 444 1.784 -8.874 0.465 1.00 0.00 H new ATOM 0 HD3 PRO A 444 2.052 -10.606 0.470 1.00 0.00 H new ATOM 275 N PHE A 445 3.293 -7.398 -2.472 1.00 0.00 N ATOM 276 CA PHE A 445 3.293 -6.143 -3.206 1.00 0.00 C ATOM 277 C PHE A 445 4.396 -5.205 -2.719 1.00 0.00 C ATOM 278 O PHE A 445 4.934 -5.378 -1.628 1.00 0.00 O ATOM 279 CB PHE A 445 1.917 -5.488 -3.074 1.00 0.00 C ATOM 280 CG PHE A 445 0.773 -6.384 -3.495 1.00 0.00 C ATOM 281 CD1 PHE A 445 0.737 -6.925 -4.790 1.00 0.00 C ATOM 282 CD2 PHE A 445 -0.254 -6.678 -2.589 1.00 0.00 C ATOM 283 CE1 PHE A 445 -0.330 -7.747 -5.181 1.00 0.00 C ATOM 284 CE2 PHE A 445 -1.319 -7.501 -2.979 1.00 0.00 C ATOM 285 CZ PHE A 445 -1.361 -8.035 -4.275 1.00 0.00 C ATOM 0 H PHE A 445 3.234 -7.286 -1.460 1.00 0.00 H new ATOM 0 HA PHE A 445 3.498 -6.350 -4.256 1.00 0.00 H new ATOM 0 HB2 PHE A 445 1.767 -5.185 -2.038 1.00 0.00 H new ATOM 0 HB3 PHE A 445 1.897 -4.581 -3.678 1.00 0.00 H new ATOM 0 HD1 PHE A 445 1.533 -6.708 -5.487 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -0.225 -6.270 -1.589 1.00 0.00 H new ATOM 0 HE1 PHE A 445 -0.358 -8.158 -6.179 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -2.110 -7.725 -2.279 1.00 0.00 H new ATOM 0 HZ PHE A 445 -2.185 -8.666 -4.574 1.00 0.00 H new ATOM 295 N PHE A 446 4.723 -4.205 -3.542 1.00 0.00 N ATOM 296 CA PHE A 446 5.717 -3.186 -3.235 1.00 0.00 C ATOM 297 C PHE A 446 5.297 -1.873 -3.888 1.00 0.00 C ATOM 298 O PHE A 446 4.701 -1.895 -4.964 1.00 0.00 O ATOM 299 CB PHE A 446 7.075 -3.655 -3.763 1.00 0.00 C ATOM 300 CG PHE A 446 8.223 -2.717 -3.480 1.00 0.00 C ATOM 301 CD1 PHE A 446 8.928 -2.815 -2.271 1.00 0.00 C ATOM 302 CD2 PHE A 446 8.596 -1.750 -4.427 1.00 0.00 C ATOM 303 CE1 PHE A 446 10.001 -1.952 -2.011 1.00 0.00 C ATOM 304 CE2 PHE A 446 9.670 -0.888 -4.162 1.00 0.00 C ATOM 305 CZ PHE A 446 10.373 -0.987 -2.954 1.00 0.00 C ATOM 0 H PHE A 446 4.292 -4.083 -4.458 1.00 0.00 H new ATOM 0 HA PHE A 446 5.794 -3.027 -2.159 1.00 0.00 H new ATOM 0 HB2 PHE A 446 7.303 -4.627 -3.326 1.00 0.00 H new ATOM 0 HB3 PHE A 446 7.000 -3.800 -4.841 1.00 0.00 H new ATOM 0 HD1 PHE A 446 8.643 -3.557 -1.539 1.00 0.00 H new ATOM 0 HD2 PHE A 446 8.056 -1.670 -5.359 1.00 0.00 H new ATOM 0 HE1 PHE A 446 10.543 -2.032 -1.080 1.00 0.00 H new ATOM 0 HE2 PHE A 446 9.956 -0.145 -4.892 1.00 0.00 H new ATOM 0 HZ PHE A 446 11.199 -0.321 -2.751 1.00 0.00 H new ATOM 315 N CYS A 447 5.598 -0.735 -3.254 1.00 0.00 N ATOM 316 CA CYS A 447 5.204 0.573 -3.763 1.00 0.00 C ATOM 317 C CYS A 447 6.426 1.386 -4.189 1.00 0.00 C ATOM 318 O CYS A 447 7.539 1.122 -3.733 1.00 0.00 O ATOM 319 CB CYS A 447 4.349 1.292 -2.720 1.00 0.00 C ATOM 320 SG CYS A 447 3.358 2.554 -3.563 1.00 0.00 S ATOM 0 H CYS A 447 6.119 -0.699 -2.378 1.00 0.00 H new ATOM 0 HA CYS A 447 4.596 0.448 -4.659 1.00 0.00 H new ATOM 0 HB2 CYS A 447 3.701 0.582 -2.206 1.00 0.00 H new ATOM 0 HB3 CYS A 447 4.983 1.752 -1.962 1.00 0.00 H new ATOM 0 HG CYS A 447 2.944 3.430 -2.697 1.00 0.00 H new ATOM 325 N ARG A 448 6.222 2.375 -5.063 1.00 0.00 N ATOM 326 CA ARG A 448 7.309 3.121 -5.684 1.00 0.00 C ATOM 327 C ARG A 448 7.096 4.628 -5.565 1.00 0.00 C ATOM 328 O ARG A 448 6.987 5.328 -6.570 1.00 0.00 O ATOM 329 CB ARG A 448 7.440 2.649 -7.134 1.00 0.00 C ATOM 330 CG ARG A 448 8.750 3.114 -7.773 1.00 0.00 C ATOM 331 CD ARG A 448 8.807 2.574 -9.199 1.00 0.00 C ATOM 332 NE ARG A 448 10.048 2.977 -9.873 1.00 0.00 N ATOM 333 CZ ARG A 448 10.356 2.655 -11.131 1.00 0.00 C ATOM 334 NH1 ARG A 448 9.527 1.920 -11.870 1.00 0.00 N ATOM 335 NH2 ARG A 448 11.503 3.069 -11.660 1.00 0.00 N ATOM 0 H ARG A 448 5.294 2.678 -5.358 1.00 0.00 H new ATOM 0 HA ARG A 448 8.247 2.925 -5.164 1.00 0.00 H new ATOM 0 HB2 ARG A 448 7.387 1.561 -7.167 1.00 0.00 H new ATOM 0 HB3 ARG A 448 6.599 3.027 -7.715 1.00 0.00 H new ATOM 0 HG2 ARG A 448 8.805 4.203 -7.777 1.00 0.00 H new ATOM 0 HG3 ARG A 448 9.602 2.754 -7.197 1.00 0.00 H new ATOM 0 HD2 ARG A 448 8.737 1.486 -9.181 1.00 0.00 H new ATOM 0 HD3 ARG A 448 7.949 2.940 -9.763 1.00 0.00 H new ATOM 0 HE ARG A 448 10.717 3.539 -9.346 1.00 0.00 H new ATOM 0 HH11 ARG A 448 8.644 1.596 -11.476 1.00 0.00 H new ATOM 0 HH12 ARG A 448 9.775 1.681 -12.830 1.00 0.00 H new ATOM 0 HH21 ARG A 448 12.147 3.632 -11.105 1.00 0.00 H new ATOM 0 HH22 ARG A 448 11.739 2.823 -12.621 1.00 0.00 H new ATOM 349 N ASP A 449 7.035 5.133 -4.330 1.00 0.00 N ATOM 350 CA ASP A 449 6.896 6.563 -4.069 1.00 0.00 C ATOM 351 C ASP A 449 7.889 7.032 -3.002 1.00 0.00 C ATOM 352 O ASP A 449 8.651 6.238 -2.452 1.00 0.00 O ATOM 353 CB ASP A 449 5.464 6.873 -3.633 1.00 0.00 C ATOM 354 CG ASP A 449 5.081 8.309 -3.988 1.00 0.00 C ATOM 355 OD1 ASP A 449 5.328 9.196 -3.145 1.00 0.00 O ATOM 356 OD2 ASP A 449 4.543 8.511 -5.099 1.00 0.00 O ATOM 0 H ASP A 449 7.081 4.561 -3.487 1.00 0.00 H new ATOM 0 HA ASP A 449 7.117 7.102 -4.990 1.00 0.00 H new ATOM 0 HB2 ASP A 449 4.775 6.180 -4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 449 5.367 6.722 -2.558 1.00 0.00 H new ATOM 361 N GLN A 450 7.878 8.333 -2.707 1.00 0.00 N ATOM 362 CA GLN A 450 8.715 8.923 -1.677 1.00 0.00 C ATOM 363 C GLN A 450 8.056 8.746 -0.303 1.00 0.00 C ATOM 364 O GLN A 450 8.728 8.860 0.720 1.00 0.00 O ATOM 365 CB GLN A 450 8.930 10.400 -2.026 1.00 0.00 C ATOM 366 CG GLN A 450 9.915 11.073 -1.068 1.00 0.00 C ATOM 367 CD GLN A 450 10.192 12.522 -1.456 1.00 0.00 C ATOM 368 OE1 GLN A 450 9.645 13.042 -2.426 1.00 0.00 O ATOM 369 NE2 GLN A 450 11.052 13.195 -0.697 1.00 0.00 N ATOM 0 H GLN A 450 7.280 9.008 -3.184 1.00 0.00 H new ATOM 0 HA GLN A 450 9.685 8.428 -1.631 1.00 0.00 H new ATOM 0 HB2 GLN A 450 9.303 10.482 -3.047 1.00 0.00 H new ATOM 0 HB3 GLN A 450 7.975 10.924 -1.993 1.00 0.00 H new ATOM 0 HG2 GLN A 450 9.515 11.039 -0.055 1.00 0.00 H new ATOM 0 HG3 GLN A 450 10.851 10.515 -1.060 1.00 0.00 H new ATOM 0 HE21 GLN A 450 11.492 12.739 0.102 1.00 0.00 H new ATOM 0 HE22 GLN A 450 11.272 14.167 -0.914 1.00 0.00 H new ATOM 378 N VAL A 451 6.747 8.467 -0.276 1.00 0.00 N ATOM 379 CA VAL A 451 6.018 8.261 0.973 1.00 0.00 C ATOM 380 C VAL A 451 5.801 6.776 1.259 1.00 0.00 C ATOM 381 O VAL A 451 5.567 6.410 2.413 1.00 0.00 O ATOM 382 CB VAL A 451 4.691 9.032 0.963 1.00 0.00 C ATOM 383 CG1 VAL A 451 4.941 10.518 0.708 1.00 0.00 C ATOM 384 CG2 VAL A 451 3.736 8.495 -0.098 1.00 0.00 C ATOM 0 H VAL A 451 6.171 8.379 -1.113 1.00 0.00 H new ATOM 0 HA VAL A 451 6.629 8.656 1.785 1.00 0.00 H new ATOM 0 HB VAL A 451 4.231 8.897 1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 451 3.990 11.051 0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 451 5.579 10.920 1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 451 5.432 10.644 -0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 451 2.808 9.066 -0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 451 4.195 8.589 -1.082 1.00 0.00 H new ATOM 0 HG23 VAL A 451 3.522 7.445 0.103 1.00 0.00 H new ATOM 394 N CYS A 452 5.872 5.920 0.234 1.00 0.00 N ATOM 395 CA CYS A 452 5.833 4.478 0.421 1.00 0.00 C ATOM 396 C CYS A 452 6.814 3.801 -0.539 1.00 0.00 C ATOM 397 O CYS A 452 6.738 3.982 -1.752 1.00 0.00 O ATOM 398 CB CYS A 452 4.395 3.962 0.280 1.00 0.00 C ATOM 399 SG CYS A 452 3.554 4.669 -1.163 1.00 0.00 S ATOM 0 H CYS A 452 5.957 6.211 -0.740 1.00 0.00 H new ATOM 0 HA CYS A 452 6.154 4.225 1.431 1.00 0.00 H new ATOM 0 HB2 CYS A 452 4.407 2.875 0.195 1.00 0.00 H new ATOM 0 HB3 CYS A 452 3.833 4.205 1.182 1.00 0.00 H new ATOM 404 N PHE A 453 7.741 3.018 0.023 1.00 0.00 N ATOM 405 CA PHE A 453 8.811 2.377 -0.731 1.00 0.00 C ATOM 406 C PHE A 453 9.215 1.051 -0.078 1.00 0.00 C ATOM 407 O PHE A 453 10.379 0.651 -0.126 1.00 0.00 O ATOM 408 CB PHE A 453 9.995 3.343 -0.842 1.00 0.00 C ATOM 409 CG PHE A 453 11.060 2.910 -1.826 1.00 0.00 C ATOM 410 CD1 PHE A 453 10.749 2.781 -3.189 1.00 0.00 C ATOM 411 CD2 PHE A 453 12.362 2.637 -1.381 1.00 0.00 C ATOM 412 CE1 PHE A 453 11.736 2.379 -4.100 1.00 0.00 C ATOM 413 CE2 PHE A 453 13.347 2.231 -2.288 1.00 0.00 C ATOM 414 CZ PHE A 453 13.035 2.099 -3.649 1.00 0.00 C ATOM 0 H PHE A 453 7.765 2.813 1.022 1.00 0.00 H new ATOM 0 HA PHE A 453 8.462 2.141 -1.736 1.00 0.00 H new ATOM 0 HB2 PHE A 453 9.622 4.324 -1.136 1.00 0.00 H new ATOM 0 HB3 PHE A 453 10.450 3.456 0.142 1.00 0.00 H new ATOM 0 HD1 PHE A 453 9.748 2.992 -3.536 1.00 0.00 H new ATOM 0 HD2 PHE A 453 12.605 2.741 -0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 453 11.497 2.285 -5.149 1.00 0.00 H new ATOM 0 HE2 PHE A 453 14.347 2.019 -1.940 1.00 0.00 H new ATOM 0 HZ PHE A 453 13.794 1.782 -4.349 1.00 0.00 H new ATOM 424 N LYS A 454 8.244 0.372 0.542 1.00 0.00 N ATOM 425 CA LYS A 454 8.455 -0.887 1.246 1.00 0.00 C ATOM 426 C LYS A 454 7.531 -1.959 0.680 1.00 0.00 C ATOM 427 O LYS A 454 6.745 -1.692 -0.227 1.00 0.00 O ATOM 428 CB LYS A 454 8.198 -0.674 2.740 1.00 0.00 C ATOM 429 CG LYS A 454 9.191 0.305 3.372 1.00 0.00 C ATOM 430 CD LYS A 454 10.620 -0.247 3.359 1.00 0.00 C ATOM 431 CE LYS A 454 11.550 0.734 4.070 1.00 0.00 C ATOM 432 NZ LYS A 454 12.937 0.230 4.081 1.00 0.00 N ATOM 0 H LYS A 454 7.276 0.691 0.566 1.00 0.00 H new ATOM 0 HA LYS A 454 9.483 -1.222 1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 454 7.184 -0.300 2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 454 8.259 -1.632 3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 454 9.162 1.251 2.832 1.00 0.00 H new ATOM 0 HG3 LYS A 454 8.891 0.514 4.399 1.00 0.00 H new ATOM 0 HD2 LYS A 454 10.651 -1.218 3.854 1.00 0.00 H new ATOM 0 HD3 LYS A 454 10.953 -0.401 2.333 1.00 0.00 H new ATOM 0 HE2 LYS A 454 11.514 1.702 3.571 1.00 0.00 H new ATOM 0 HE3 LYS A 454 11.207 0.890 5.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 13.585 1.003 4.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 13.023 -0.535 4.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 13.182 -0.134 3.138 1.00 0.00 H new ATOM 446 N TYR A 455 7.627 -3.177 1.217 1.00 0.00 N ATOM 447 CA TYR A 455 6.736 -4.257 0.827 1.00 0.00 C ATOM 448 C TYR A 455 5.448 -4.191 1.634 1.00 0.00 C ATOM 449 O TYR A 455 5.451 -3.774 2.794 1.00 0.00 O ATOM 450 CB TYR A 455 7.431 -5.611 0.981 1.00 0.00 C ATOM 451 CG TYR A 455 8.499 -5.853 -0.060 1.00 0.00 C ATOM 452 CD1 TYR A 455 9.819 -5.436 0.169 1.00 0.00 C ATOM 453 CD2 TYR A 455 8.162 -6.491 -1.263 1.00 0.00 C ATOM 454 CE1 TYR A 455 10.808 -5.659 -0.803 1.00 0.00 C ATOM 455 CE2 TYR A 455 9.143 -6.715 -2.239 1.00 0.00 C ATOM 456 CZ TYR A 455 10.472 -6.303 -2.011 1.00 0.00 C ATOM 457 OH TYR A 455 11.422 -6.525 -2.962 1.00 0.00 O ATOM 0 H TYR A 455 8.316 -3.434 1.924 1.00 0.00 H new ATOM 0 HA TYR A 455 6.478 -4.142 -0.226 1.00 0.00 H new ATOM 0 HB2 TYR A 455 7.879 -5.672 1.973 1.00 0.00 H new ATOM 0 HB3 TYR A 455 6.686 -6.404 0.919 1.00 0.00 H new ATOM 0 HD1 TYR A 455 10.075 -4.942 1.095 1.00 0.00 H new ATOM 0 HD2 TYR A 455 7.145 -6.810 -1.438 1.00 0.00 H new ATOM 0 HE1 TYR A 455 11.824 -5.338 -0.625 1.00 0.00 H new ATOM 0 HE2 TYR A 455 8.881 -7.203 -3.166 1.00 0.00 H new ATOM 0 HH TYR A 455 11.017 -6.980 -3.729 1.00 0.00 H new ATOM 467 N PHE A 456 4.345 -4.609 1.015 1.00 0.00 N ATOM 468 CA PHE A 456 3.020 -4.555 1.612 1.00 0.00 C ATOM 469 C PHE A 456 2.194 -5.751 1.152 1.00 0.00 C ATOM 470 O PHE A 456 2.617 -6.524 0.293 1.00 0.00 O ATOM 471 CB PHE A 456 2.298 -3.277 1.168 1.00 0.00 C ATOM 472 CG PHE A 456 2.988 -1.969 1.494 1.00 0.00 C ATOM 473 CD1 PHE A 456 2.767 -1.342 2.728 1.00 0.00 C ATOM 474 CD2 PHE A 456 3.839 -1.371 0.552 1.00 0.00 C ATOM 475 CE1 PHE A 456 3.393 -0.120 3.013 1.00 0.00 C ATOM 476 CE2 PHE A 456 4.462 -0.151 0.839 1.00 0.00 C ATOM 477 CZ PHE A 456 4.238 0.478 2.072 1.00 0.00 C ATOM 0 H PHE A 456 4.351 -4.999 0.073 1.00 0.00 H new ATOM 0 HA PHE A 456 3.130 -4.568 2.696 1.00 0.00 H new ATOM 0 HB2 PHE A 456 2.149 -3.326 0.089 1.00 0.00 H new ATOM 0 HB3 PHE A 456 1.309 -3.266 1.626 1.00 0.00 H new ATOM 0 HD1 PHE A 456 2.116 -1.799 3.458 1.00 0.00 H new ATOM 0 HD2 PHE A 456 4.014 -1.854 -0.398 1.00 0.00 H new ATOM 0 HE1 PHE A 456 3.222 0.362 3.964 1.00 0.00 H new ATOM 0 HE2 PHE A 456 5.115 0.306 0.111 1.00 0.00 H new ATOM 0 HZ PHE A 456 4.716 1.421 2.294 1.00 0.00 H new ATOM 487 N CYS A 457 1.005 -5.889 1.738 1.00 0.00 N ATOM 488 CA CYS A 457 0.020 -6.884 1.372 1.00 0.00 C ATOM 489 C CYS A 457 -1.302 -6.168 1.083 1.00 0.00 C ATOM 490 O CYS A 457 -1.391 -4.954 1.252 1.00 0.00 O ATOM 491 CB CYS A 457 -0.088 -7.932 2.478 1.00 0.00 C ATOM 492 SG CYS A 457 -0.598 -7.153 4.033 1.00 0.00 S ATOM 0 H CYS A 457 0.699 -5.288 2.504 1.00 0.00 H new ATOM 0 HA CYS A 457 0.310 -7.421 0.469 1.00 0.00 H new ATOM 0 HB2 CYS A 457 -0.809 -8.698 2.193 1.00 0.00 H new ATOM 0 HB3 CYS A 457 0.872 -8.431 2.611 1.00 0.00 H new ATOM 497 N ARG A 458 -2.334 -6.896 0.649 1.00 0.00 N ATOM 498 CA ARG A 458 -3.573 -6.269 0.195 1.00 0.00 C ATOM 499 C ARG A 458 -4.209 -5.414 1.291 1.00 0.00 C ATOM 500 O ARG A 458 -4.854 -4.408 0.993 1.00 0.00 O ATOM 501 CB ARG A 458 -4.530 -7.369 -0.275 1.00 0.00 C ATOM 502 CG ARG A 458 -5.795 -6.773 -0.896 1.00 0.00 C ATOM 503 CD ARG A 458 -6.699 -7.869 -1.459 1.00 0.00 C ATOM 504 NE ARG A 458 -7.182 -8.765 -0.401 1.00 0.00 N ATOM 505 CZ ARG A 458 -7.857 -9.892 -0.624 1.00 0.00 C ATOM 506 NH1 ARG A 458 -8.146 -10.280 -1.865 1.00 0.00 N ATOM 507 NH2 ARG A 458 -8.250 -10.645 0.398 1.00 0.00 N ATOM 0 H ARG A 458 -2.335 -7.915 0.603 1.00 0.00 H new ATOM 0 HA ARG A 458 -3.352 -5.594 -0.632 1.00 0.00 H new ATOM 0 HB2 ARG A 458 -4.028 -8.004 -1.005 1.00 0.00 H new ATOM 0 HB3 ARG A 458 -4.800 -8.004 0.568 1.00 0.00 H new ATOM 0 HG2 ARG A 458 -6.338 -6.200 -0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 458 -5.522 -6.079 -1.690 1.00 0.00 H new ATOM 0 HD2 ARG A 458 -7.549 -7.415 -1.969 1.00 0.00 H new ATOM 0 HD3 ARG A 458 -6.152 -8.446 -2.204 1.00 0.00 H new ATOM 0 HE ARG A 458 -6.988 -8.508 0.567 1.00 0.00 H new ATOM 0 HH11 ARG A 458 -7.850 -9.712 -2.659 1.00 0.00 H new ATOM 0 HH12 ARG A 458 -8.663 -11.145 -2.021 1.00 0.00 H new ATOM 0 HH21 ARG A 458 -8.035 -10.360 1.354 1.00 0.00 H new ATOM 0 HH22 ARG A 458 -8.767 -11.508 0.227 1.00 0.00 H new ATOM 521 N SER A 459 -4.038 -5.805 2.558 1.00 0.00 N ATOM 522 CA SER A 459 -4.692 -5.130 3.667 1.00 0.00 C ATOM 523 C SER A 459 -4.065 -3.766 3.933 1.00 0.00 C ATOM 524 O SER A 459 -4.771 -2.761 4.017 1.00 0.00 O ATOM 525 CB SER A 459 -4.600 -6.020 4.904 1.00 0.00 C ATOM 526 OG SER A 459 -5.397 -5.486 5.940 1.00 0.00 O ATOM 0 H SER A 459 -3.448 -6.590 2.834 1.00 0.00 H new ATOM 0 HA SER A 459 -5.738 -4.957 3.415 1.00 0.00 H new ATOM 0 HB2 SER A 459 -4.932 -7.030 4.662 1.00 0.00 H new ATOM 0 HB3 SER A 459 -3.563 -6.095 5.233 1.00 0.00 H new ATOM 0 HG SER A 459 -4.866 -4.853 6.468 1.00 0.00 H new ATOM 532 N CYS A 460 -2.736 -3.725 4.066 1.00 0.00 N ATOM 533 CA CYS A 460 -2.027 -2.494 4.381 1.00 0.00 C ATOM 534 C CYS A 460 -1.750 -1.670 3.122 1.00 0.00 C ATOM 535 O CYS A 460 -1.467 -0.474 3.225 1.00 0.00 O ATOM 536 CB CYS A 460 -0.759 -2.828 5.157 1.00 0.00 C ATOM 537 SG CYS A 460 0.157 -4.119 4.289 1.00 0.00 S ATOM 0 H CYS A 460 -2.131 -4.539 3.958 1.00 0.00 H new ATOM 0 HA CYS A 460 -2.654 -1.866 5.013 1.00 0.00 H new ATOM 0 HB2 CYS A 460 -0.140 -1.937 5.263 1.00 0.00 H new ATOM 0 HB3 CYS A 460 -1.013 -3.162 6.163 1.00 0.00 H new ATOM 542 N TRP A 461 -1.834 -2.287 1.939 1.00 0.00 N ATOM 543 CA TRP A 461 -1.760 -1.532 0.702 1.00 0.00 C ATOM 544 C TRP A 461 -2.950 -0.585 0.646 1.00 0.00 C ATOM 545 O TRP A 461 -2.814 0.548 0.194 1.00 0.00 O ATOM 546 CB TRP A 461 -1.775 -2.472 -0.503 1.00 0.00 C ATOM 547 CG TRP A 461 -1.768 -1.757 -1.817 1.00 0.00 C ATOM 548 CD1 TRP A 461 -2.863 -1.349 -2.497 1.00 0.00 C ATOM 549 CD2 TRP A 461 -0.626 -1.345 -2.631 1.00 0.00 C ATOM 550 NE1 TRP A 461 -2.479 -0.697 -3.651 1.00 0.00 N ATOM 551 CE2 TRP A 461 -1.107 -0.648 -3.774 1.00 0.00 C ATOM 552 CE3 TRP A 461 0.770 -1.472 -2.499 1.00 0.00 C ATOM 553 CZ2 TRP A 461 -0.249 -0.078 -4.722 1.00 0.00 C ATOM 554 CZ3 TRP A 461 1.638 -0.925 -3.455 1.00 0.00 C ATOM 555 CH2 TRP A 461 1.135 -0.220 -4.557 1.00 0.00 C ATOM 0 H TRP A 461 -1.952 -3.293 1.821 1.00 0.00 H new ATOM 0 HA TRP A 461 -0.829 -0.965 0.672 1.00 0.00 H new ATOM 0 HB2 TRP A 461 -0.907 -3.130 -0.452 1.00 0.00 H new ATOM 0 HB3 TRP A 461 -2.660 -3.106 -0.448 1.00 0.00 H new ATOM 0 HD1 TRP A 461 -3.884 -1.509 -2.184 1.00 0.00 H new ATOM 0 HE1 TRP A 461 -3.130 -0.300 -4.329 1.00 0.00 H new ATOM 0 HE3 TRP A 461 1.178 -1.998 -1.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 -0.648 0.463 -5.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 2.705 -1.048 -3.341 1.00 0.00 H new ATOM 0 HH2 TRP A 461 1.813 0.213 -5.278 1.00 0.00 H new ATOM 566 N HIS A 462 -4.122 -1.036 1.105 1.00 0.00 N ATOM 567 CA HIS A 462 -5.286 -0.170 1.143 1.00 0.00 C ATOM 568 C HIS A 462 -5.182 0.838 2.287 1.00 0.00 C ATOM 569 O HIS A 462 -5.763 1.917 2.192 1.00 0.00 O ATOM 570 CB HIS A 462 -6.557 -1.012 1.273 1.00 0.00 C ATOM 571 CG HIS A 462 -6.830 -1.869 0.066 1.00 0.00 C ATOM 572 ND1 HIS A 462 -6.445 -1.574 -1.245 1.00 0.00 N ATOM 573 CD2 HIS A 462 -7.496 -3.061 0.079 1.00 0.00 C ATOM 574 CE1 HIS A 462 -6.897 -2.597 -1.989 1.00 0.00 C ATOM 575 NE2 HIS A 462 -7.531 -3.502 -1.223 1.00 0.00 N ATOM 0 H HIS A 462 -4.281 -1.983 1.449 1.00 0.00 H new ATOM 0 HA HIS A 462 -5.332 0.393 0.211 1.00 0.00 H new ATOM 0 HB2 HIS A 462 -6.473 -1.651 2.152 1.00 0.00 H new ATOM 0 HB3 HIS A 462 -7.407 -0.351 1.440 1.00 0.00 H new ATOM 0 HD2 HIS A 462 -7.913 -3.559 0.942 1.00 0.00 H new ATOM 0 HE1 HIS A 462 -6.769 -2.681 -3.058 1.00 0.00 H new ATOM 0 HE2 HIS A 462 -7.963 -4.366 -1.551 1.00 0.00 H new ATOM 583 N TRP A 463 -4.453 0.520 3.362 1.00 0.00 N ATOM 584 CA TRP A 463 -4.269 1.477 4.446 1.00 0.00 C ATOM 585 C TRP A 463 -3.391 2.653 4.013 1.00 0.00 C ATOM 586 O TRP A 463 -3.384 3.688 4.677 1.00 0.00 O ATOM 587 CB TRP A 463 -3.628 0.800 5.657 1.00 0.00 C ATOM 588 CG TRP A 463 -4.396 -0.307 6.310 1.00 0.00 C ATOM 589 CD1 TRP A 463 -5.719 -0.552 6.181 1.00 0.00 C ATOM 590 CD2 TRP A 463 -3.897 -1.338 7.216 1.00 0.00 C ATOM 591 NE1 TRP A 463 -6.070 -1.653 6.935 1.00 0.00 N ATOM 592 CE2 TRP A 463 -4.980 -2.181 7.599 1.00 0.00 C ATOM 593 CE3 TRP A 463 -2.634 -1.645 7.752 1.00 0.00 C ATOM 594 CZ2 TRP A 463 -4.816 -3.272 8.459 1.00 0.00 C ATOM 595 CZ3 TRP A 463 -2.456 -2.737 8.614 1.00 0.00 C ATOM 596 CH2 TRP A 463 -3.541 -3.552 8.971 1.00 0.00 C ATOM 0 H TRP A 463 -3.990 -0.378 3.500 1.00 0.00 H new ATOM 0 HA TRP A 463 -5.256 1.854 4.713 1.00 0.00 H new ATOM 0 HB2 TRP A 463 -2.660 0.404 5.349 1.00 0.00 H new ATOM 0 HB3 TRP A 463 -3.434 1.565 6.408 1.00 0.00 H new ATOM 0 HD1 TRP A 463 -6.401 0.028 5.577 1.00 0.00 H new ATOM 0 HE1 TRP A 463 -7.016 -2.030 6.995 1.00 0.00 H new ATOM 0 HE3 TRP A 463 -1.785 -1.029 7.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 -5.660 -3.891 8.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 -1.474 -2.953 9.007 1.00 0.00 H new ATOM 0 HH2 TRP A 463 -3.395 -4.390 9.636 1.00 0.00 H new ATOM 607 N ARG A 464 -2.651 2.504 2.906 1.00 0.00 N ATOM 608 CA ARG A 464 -1.776 3.554 2.394 1.00 0.00 C ATOM 609 C ARG A 464 -2.214 4.083 1.031 1.00 0.00 C ATOM 610 O ARG A 464 -1.624 5.046 0.546 1.00 0.00 O ATOM 611 CB ARG A 464 -0.344 3.025 2.307 1.00 0.00 C ATOM 612 CG ARG A 464 0.262 2.741 3.684 1.00 0.00 C ATOM 613 CD ARG A 464 0.488 4.044 4.457 1.00 0.00 C ATOM 614 NE ARG A 464 1.072 3.783 5.779 1.00 0.00 N ATOM 615 CZ ARG A 464 2.382 3.732 6.028 1.00 0.00 C ATOM 616 NH1 ARG A 464 3.272 3.910 5.055 1.00 0.00 N ATOM 617 NH2 ARG A 464 2.812 3.497 7.268 1.00 0.00 N ATOM 0 H ARG A 464 -2.646 1.652 2.345 1.00 0.00 H new ATOM 0 HA ARG A 464 -1.834 4.390 3.091 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -0.334 2.111 1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 464 0.277 3.752 1.783 1.00 0.00 H new ATOM 0 HG2 ARG A 464 -0.401 2.087 4.250 1.00 0.00 H new ATOM 0 HG3 ARG A 464 1.208 2.213 3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 464 1.148 4.698 3.887 1.00 0.00 H new ATOM 0 HD3 ARG A 464 -0.459 4.570 4.573 1.00 0.00 H new ATOM 0 HE ARG A 464 0.433 3.630 6.559 1.00 0.00 H new ATOM 0 HH11 ARG A 464 2.956 4.089 4.102 1.00 0.00 H new ATOM 0 HH12 ARG A 464 4.270 3.868 5.263 1.00 0.00 H new ATOM 0 HH21 ARG A 464 2.140 3.357 8.023 1.00 0.00 H new ATOM 0 HH22 ARG A 464 3.813 3.457 7.462 1.00 0.00 H new ATOM 631 N HIS A 465 -3.227 3.478 0.408 1.00 0.00 N ATOM 632 CA HIS A 465 -3.639 3.868 -0.935 1.00 0.00 C ATOM 633 C HIS A 465 -5.157 3.995 -1.090 1.00 0.00 C ATOM 634 O HIS A 465 -5.647 4.106 -2.213 1.00 0.00 O ATOM 635 CB HIS A 465 -3.046 2.888 -1.950 1.00 0.00 C ATOM 636 CG HIS A 465 -1.545 2.760 -1.847 1.00 0.00 C ATOM 637 ND1 HIS A 465 -0.851 1.599 -1.613 1.00 0.00 N ATOM 638 CD2 HIS A 465 -0.618 3.766 -1.968 1.00 0.00 C ATOM 639 CE1 HIS A 465 0.459 1.891 -1.591 1.00 0.00 C ATOM 640 NE2 HIS A 465 0.661 3.206 -1.811 1.00 0.00 N ATOM 0 H HIS A 465 -3.774 2.718 0.813 1.00 0.00 H new ATOM 0 HA HIS A 465 -3.249 4.868 -1.125 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -3.499 1.907 -1.805 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -3.308 3.215 -2.956 1.00 0.00 H new ATOM 0 HD1 HIS A 465 -1.260 0.674 -1.479 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -0.835 4.808 -2.152 1.00 0.00 H new ATOM 0 HE1 HIS A 465 1.245 1.170 -1.420 1.00 0.00 H new ATOM 648 N SER A 466 -5.912 3.982 0.014 1.00 0.00 N ATOM 649 CA SER A 466 -7.355 4.193 -0.035 1.00 0.00 C ATOM 650 C SER A 466 -7.684 5.665 -0.272 1.00 0.00 C ATOM 651 O SER A 466 -8.801 6.003 -0.662 1.00 0.00 O ATOM 652 CB SER A 466 -7.991 3.737 1.275 1.00 0.00 C ATOM 653 OG SER A 466 -7.422 4.444 2.361 1.00 0.00 O ATOM 0 H SER A 466 -5.543 3.827 0.952 1.00 0.00 H new ATOM 0 HA SER A 466 -7.756 3.608 -0.863 1.00 0.00 H new ATOM 0 HB2 SER A 466 -9.067 3.906 1.244 1.00 0.00 H new ATOM 0 HB3 SER A 466 -7.840 2.666 1.409 1.00 0.00 H new ATOM 0 HG SER A 466 -6.689 3.919 2.745 1.00 0.00 H new ATOM 659 N MET A 467 -6.704 6.539 -0.032 1.00 0.00 N ATOM 660 CA MET A 467 -6.848 7.977 -0.199 1.00 0.00 C ATOM 661 C MET A 467 -6.629 8.379 -1.654 1.00 0.00 C ATOM 662 O MET A 467 -5.886 7.724 -2.387 1.00 0.00 O ATOM 663 CB MET A 467 -5.878 8.690 0.745 1.00 0.00 C ATOM 664 CG MET A 467 -4.426 8.344 0.414 1.00 0.00 C ATOM 665 SD MET A 467 -3.227 8.884 1.662 1.00 0.00 S ATOM 666 CE MET A 467 -3.647 7.724 2.992 1.00 0.00 C ATOM 0 H MET A 467 -5.777 6.258 0.288 1.00 0.00 H new ATOM 0 HA MET A 467 -7.864 8.277 0.058 1.00 0.00 H new ATOM 0 HB2 MET A 467 -6.023 9.768 0.673 1.00 0.00 H new ATOM 0 HB3 MET A 467 -6.096 8.408 1.775 1.00 0.00 H new ATOM 0 HG2 MET A 467 -4.341 7.264 0.289 1.00 0.00 H new ATOM 0 HG3 MET A 467 -4.166 8.797 -0.543 1.00 0.00 H new ATOM 0 HE1 MET A 467 -2.835 7.694 3.719 1.00 0.00 H new ATOM 0 HE2 MET A 467 -4.563 8.051 3.484 1.00 0.00 H new ATOM 0 HE3 MET A 467 -3.796 6.729 2.573 1.00 0.00 H new ATOM 676 N GLU A 468 -7.274 9.466 -2.080 1.00 0.00 N ATOM 677 CA GLU A 468 -7.182 9.931 -3.458 1.00 0.00 C ATOM 678 C GLU A 468 -5.852 10.636 -3.732 1.00 0.00 C ATOM 679 O GLU A 468 -5.575 11.007 -4.870 1.00 0.00 O ATOM 680 CB GLU A 468 -8.374 10.836 -3.773 1.00 0.00 C ATOM 681 CG GLU A 468 -8.373 12.093 -2.897 1.00 0.00 C ATOM 682 CD GLU A 468 -9.577 12.981 -3.211 1.00 0.00 C ATOM 683 OE1 GLU A 468 -9.439 13.849 -4.101 1.00 0.00 O ATOM 684 OE2 GLU A 468 -10.627 12.785 -2.556 1.00 0.00 O ATOM 0 H GLU A 468 -7.868 10.042 -1.484 1.00 0.00 H new ATOM 0 HA GLU A 468 -7.214 9.065 -4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 468 -8.346 11.124 -4.824 1.00 0.00 H new ATOM 0 HB3 GLU A 468 -9.301 10.285 -3.618 1.00 0.00 H new ATOM 0 HG2 GLU A 468 -8.392 11.808 -1.845 1.00 0.00 H new ATOM 0 HG3 GLU A 468 -7.452 12.653 -3.059 1.00 0.00 H new ATOM 691 N GLY A 469 -5.027 10.821 -2.695 1.00 0.00 N ATOM 692 CA GLY A 469 -3.734 11.466 -2.840 1.00 0.00 C ATOM 693 C GLY A 469 -2.659 10.516 -3.354 1.00 0.00 C ATOM 694 O GLY A 469 -1.663 10.979 -3.904 1.00 0.00 O ATOM 0 H GLY A 469 -5.242 10.527 -1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 469 -3.827 12.308 -3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 469 -3.425 11.872 -1.877 1.00 0.00 H new ATOM 698 N LEU A 470 -2.851 9.200 -3.184 1.00 0.00 N ATOM 699 CA LEU A 470 -1.870 8.193 -3.583 1.00 0.00 C ATOM 700 C LEU A 470 -2.494 7.110 -4.467 1.00 0.00 C ATOM 701 O LEU A 470 -1.895 6.050 -4.654 1.00 0.00 O ATOM 702 CB LEU A 470 -1.202 7.559 -2.356 1.00 0.00 C ATOM 703 CG LEU A 470 -0.499 8.555 -1.434 1.00 0.00 C ATOM 704 CD1 LEU A 470 0.148 7.794 -0.281 1.00 0.00 C ATOM 705 CD2 LEU A 470 0.601 9.353 -2.135 1.00 0.00 C ATOM 0 H LEU A 470 -3.694 8.808 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 470 -1.107 8.705 -4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 470 -1.958 7.023 -1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 470 -0.475 6.820 -2.694 1.00 0.00 H new ATOM 0 HG LEU A 470 -1.261 9.256 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 470 0.652 8.497 0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 470 -0.619 7.256 0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 470 0.874 7.084 -0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 470 1.060 10.041 -1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 470 1.358 8.669 -2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 470 0.170 9.918 -2.962 1.00 0.00 H new ATOM 717 N ARG A 471 -3.687 7.358 -5.016 1.00 0.00 N ATOM 718 CA ARG A 471 -4.384 6.380 -5.852 1.00 0.00 C ATOM 719 C ARG A 471 -3.682 6.165 -7.197 1.00 0.00 C ATOM 720 O ARG A 471 -4.134 5.355 -8.002 1.00 0.00 O ATOM 721 CB ARG A 471 -5.844 6.795 -6.047 1.00 0.00 C ATOM 722 CG ARG A 471 -5.950 8.105 -6.825 1.00 0.00 C ATOM 723 CD ARG A 471 -7.418 8.480 -7.021 1.00 0.00 C ATOM 724 NE ARG A 471 -7.548 9.780 -7.692 1.00 0.00 N ATOM 725 CZ ARG A 471 -8.716 10.361 -7.979 1.00 0.00 C ATOM 726 NH1 ARG A 471 -9.867 9.770 -7.666 1.00 0.00 N ATOM 727 NH2 ARG A 471 -8.740 11.546 -8.583 1.00 0.00 N ATOM 0 H ARG A 471 -4.192 8.236 -4.894 1.00 0.00 H new ATOM 0 HA ARG A 471 -4.361 5.422 -5.332 1.00 0.00 H new ATOM 0 HB2 ARG A 471 -6.380 6.009 -6.580 1.00 0.00 H new ATOM 0 HB3 ARG A 471 -6.325 6.907 -5.075 1.00 0.00 H new ATOM 0 HG2 ARG A 471 -5.432 8.899 -6.288 1.00 0.00 H new ATOM 0 HG3 ARG A 471 -5.460 8.003 -7.793 1.00 0.00 H new ATOM 0 HD2 ARG A 471 -7.917 7.711 -7.611 1.00 0.00 H new ATOM 0 HD3 ARG A 471 -7.920 8.515 -6.054 1.00 0.00 H new ATOM 0 HE ARG A 471 -6.693 10.270 -7.955 1.00 0.00 H new ATOM 0 HH11 ARG A 471 -9.864 8.862 -7.201 1.00 0.00 H new ATOM 0 HH12 ARG A 471 -10.752 10.225 -7.891 1.00 0.00 H new ATOM 0 HH21 ARG A 471 -7.866 12.012 -8.827 1.00 0.00 H new ATOM 0 HH22 ARG A 471 -9.632 11.989 -8.802 1.00 0.00 H new ATOM 741 N HIS A 472 -2.585 6.888 -7.441 1.00 0.00 N ATOM 742 CA HIS A 472 -1.825 6.787 -8.674 1.00 0.00 C ATOM 743 C HIS A 472 -0.743 5.708 -8.594 1.00 0.00 C ATOM 744 O HIS A 472 -0.086 5.421 -9.593 1.00 0.00 O ATOM 745 CB HIS A 472 -1.216 8.152 -8.992 1.00 0.00 C ATOM 746 CG HIS A 472 -0.238 8.613 -7.941 1.00 0.00 C ATOM 747 ND1 HIS A 472 -0.572 9.038 -6.651 1.00 0.00 N ATOM 748 CD2 HIS A 472 1.116 8.673 -8.099 1.00 0.00 C ATOM 749 CE1 HIS A 472 0.597 9.342 -6.063 1.00 0.00 C ATOM 750 NE2 HIS A 472 1.625 9.141 -6.909 1.00 0.00 N ATOM 0 H HIS A 472 -2.203 7.563 -6.778 1.00 0.00 H new ATOM 0 HA HIS A 472 -2.499 6.489 -9.477 1.00 0.00 H new ATOM 0 HB2 HIS A 472 -0.710 8.104 -9.956 1.00 0.00 H new ATOM 0 HB3 HIS A 472 -2.014 8.888 -9.087 1.00 0.00 H new ATOM 0 HD2 HIS A 472 1.677 8.406 -8.983 1.00 0.00 H new ATOM 0 HE1 HIS A 472 0.698 9.699 -5.049 1.00 0.00 H new ATOM 0 HE2 HIS A 472 2.610 9.307 -6.704 1.00 0.00 H new ATOM 758 N HIS A 473 -0.550 5.105 -7.414 1.00 0.00 N ATOM 759 CA HIS A 473 0.429 4.046 -7.228 1.00 0.00 C ATOM 760 C HIS A 473 -0.057 2.739 -7.846 1.00 0.00 C ATOM 761 O HIS A 473 -1.254 2.540 -8.058 1.00 0.00 O ATOM 762 CB HIS A 473 0.706 3.848 -5.736 1.00 0.00 C ATOM 763 CG HIS A 473 1.333 5.038 -5.058 1.00 0.00 C ATOM 764 ND1 HIS A 473 1.523 5.179 -3.678 1.00 0.00 N ATOM 765 CD2 HIS A 473 1.802 6.151 -5.689 1.00 0.00 C ATOM 766 CE1 HIS A 473 2.074 6.394 -3.517 1.00 0.00 C ATOM 767 NE2 HIS A 473 2.269 6.987 -4.706 1.00 0.00 N ATOM 0 H HIS A 473 -1.070 5.342 -6.569 1.00 0.00 H new ATOM 0 HA HIS A 473 1.351 4.339 -7.730 1.00 0.00 H new ATOM 0 HB2 HIS A 473 -0.231 3.610 -5.233 1.00 0.00 H new ATOM 0 HB3 HIS A 473 1.362 2.986 -5.612 1.00 0.00 H new ATOM 0 HD2 HIS A 473 1.805 6.338 -6.753 1.00 0.00 H new ATOM 0 HE1 HIS A 473 2.325 6.833 -2.563 1.00 0.00 H new ATOM 0 HE2 HIS A 473 2.692 7.903 -4.853 1.00 0.00 H new ATOM 775 N SER A 474 0.890 1.843 -8.131 1.00 0.00 N ATOM 776 CA SER A 474 0.610 0.509 -8.635 1.00 0.00 C ATOM 777 C SER A 474 1.591 -0.471 -7.996 1.00 0.00 C ATOM 778 O SER A 474 2.766 -0.141 -7.836 1.00 0.00 O ATOM 779 CB SER A 474 0.711 0.483 -10.160 1.00 0.00 C ATOM 780 OG SER A 474 1.983 0.937 -10.584 1.00 0.00 O ATOM 0 H SER A 474 1.885 2.032 -8.014 1.00 0.00 H new ATOM 0 HA SER A 474 -0.407 0.217 -8.373 1.00 0.00 H new ATOM 0 HB2 SER A 474 0.541 -0.530 -10.524 1.00 0.00 H new ATOM 0 HB3 SER A 474 -0.068 1.111 -10.592 1.00 0.00 H new ATOM 0 HG SER A 474 2.030 0.912 -11.563 1.00 0.00 H new ATOM 786 N PRO A 475 1.134 -1.668 -7.622 1.00 0.00 N ATOM 787 CA PRO A 475 1.946 -2.638 -6.914 1.00 0.00 C ATOM 788 C PRO A 475 2.961 -3.311 -7.838 1.00 0.00 C ATOM 789 O PRO A 475 2.672 -3.598 -8.998 1.00 0.00 O ATOM 790 CB PRO A 475 0.948 -3.648 -6.355 1.00 0.00 C ATOM 791 CG PRO A 475 -0.165 -3.639 -7.399 1.00 0.00 C ATOM 792 CD PRO A 475 -0.213 -2.174 -7.828 1.00 0.00 C ATOM 0 HA PRO A 475 2.540 -2.170 -6.129 1.00 0.00 H new ATOM 0 HB2 PRO A 475 1.392 -4.637 -6.246 1.00 0.00 H new ATOM 0 HB3 PRO A 475 0.582 -3.353 -5.372 1.00 0.00 H new ATOM 0 HG2 PRO A 475 0.061 -4.299 -8.237 1.00 0.00 H new ATOM 0 HG3 PRO A 475 -1.116 -3.969 -6.980 1.00 0.00 H new ATOM 0 HD2 PRO A 475 -0.513 -2.080 -8.872 1.00 0.00 H new ATOM 0 HD3 PRO A 475 -0.938 -1.615 -7.236 1.00 0.00 H new ATOM 800 N LEU A 476 4.158 -3.566 -7.301 1.00 0.00 N ATOM 801 CA LEU A 476 5.200 -4.329 -7.974 1.00 0.00 C ATOM 802 C LEU A 476 5.314 -5.694 -7.295 1.00 0.00 C ATOM 803 O LEU A 476 4.948 -5.839 -6.129 1.00 0.00 O ATOM 804 CB LEU A 476 6.537 -3.581 -7.918 1.00 0.00 C ATOM 805 CG LEU A 476 6.672 -2.468 -8.964 1.00 0.00 C ATOM 806 CD1 LEU A 476 5.676 -1.332 -8.742 1.00 0.00 C ATOM 807 CD2 LEU A 476 8.082 -1.891 -8.884 1.00 0.00 C ATOM 0 H LEU A 476 4.429 -3.241 -6.373 1.00 0.00 H new ATOM 0 HA LEU A 476 4.942 -4.462 -9.025 1.00 0.00 H new ATOM 0 HB2 LEU A 476 6.659 -3.149 -6.925 1.00 0.00 H new ATOM 0 HB3 LEU A 476 7.348 -4.296 -8.056 1.00 0.00 H new ATOM 0 HG LEU A 476 6.468 -2.908 -9.940 1.00 0.00 H new ATOM 0 HD11 LEU A 476 5.815 -0.571 -9.510 1.00 0.00 H new ATOM 0 HD12 LEU A 476 4.660 -1.723 -8.798 1.00 0.00 H new ATOM 0 HD13 LEU A 476 5.841 -0.890 -7.759 1.00 0.00 H new ATOM 0 HD21 LEU A 476 8.193 -1.097 -9.623 1.00 0.00 H new ATOM 0 HD22 LEU A 476 8.253 -1.485 -7.887 1.00 0.00 H new ATOM 0 HD23 LEU A 476 8.809 -2.678 -9.085 1.00 0.00 H new ATOM 819 N MET A 477 5.821 -6.693 -8.021 1.00 0.00 N ATOM 820 CA MET A 477 5.954 -8.048 -7.499 1.00 0.00 C ATOM 821 C MET A 477 7.416 -8.424 -7.287 1.00 0.00 C ATOM 822 O MET A 477 7.709 -9.409 -6.610 1.00 0.00 O ATOM 823 CB MET A 477 5.238 -9.008 -8.455 1.00 0.00 C ATOM 824 CG MET A 477 5.151 -10.422 -7.876 1.00 0.00 C ATOM 825 SD MET A 477 4.216 -11.573 -8.919 1.00 0.00 S ATOM 826 CE MET A 477 4.339 -13.055 -7.887 1.00 0.00 C ATOM 0 H MET A 477 6.148 -6.583 -8.981 1.00 0.00 H new ATOM 0 HA MET A 477 5.487 -8.113 -6.516 1.00 0.00 H new ATOM 0 HB2 MET A 477 4.234 -8.636 -8.660 1.00 0.00 H new ATOM 0 HB3 MET A 477 5.768 -9.036 -9.407 1.00 0.00 H new ATOM 0 HG2 MET A 477 6.159 -10.810 -7.733 1.00 0.00 H new ATOM 0 HG3 MET A 477 4.685 -10.375 -6.892 1.00 0.00 H new ATOM 0 HE1 MET A 477 3.816 -13.880 -8.371 1.00 0.00 H new ATOM 0 HE2 MET A 477 5.388 -13.319 -7.753 1.00 0.00 H new ATOM 0 HE3 MET A 477 3.887 -12.860 -6.915 1.00 0.00 H new ATOM 836 N ARG A 478 8.338 -7.642 -7.857 1.00 0.00 N ATOM 837 CA ARG A 478 9.761 -7.911 -7.757 1.00 0.00 C ATOM 838 C ARG A 478 10.560 -6.644 -8.050 1.00 0.00 C ATOM 839 O ARG A 478 10.126 -5.809 -8.844 1.00 0.00 O ATOM 840 CB ARG A 478 10.098 -9.029 -8.747 1.00 0.00 C ATOM 841 CG ARG A 478 11.569 -9.445 -8.659 1.00 0.00 C ATOM 842 CD ARG A 478 11.838 -10.647 -9.567 1.00 0.00 C ATOM 843 NE ARG A 478 11.579 -10.330 -10.978 1.00 0.00 N ATOM 844 CZ ARG A 478 11.755 -11.190 -11.985 1.00 0.00 C ATOM 845 NH1 ARG A 478 12.185 -12.428 -11.752 1.00 0.00 N ATOM 846 NH2 ARG A 478 11.497 -10.814 -13.234 1.00 0.00 N ATOM 0 H ARG A 478 8.111 -6.808 -8.398 1.00 0.00 H new ATOM 0 HA ARG A 478 10.024 -8.228 -6.748 1.00 0.00 H new ATOM 0 HB2 ARG A 478 9.464 -9.893 -8.549 1.00 0.00 H new ATOM 0 HB3 ARG A 478 9.875 -8.696 -9.761 1.00 0.00 H new ATOM 0 HG2 ARG A 478 12.208 -8.611 -8.950 1.00 0.00 H new ATOM 0 HG3 ARG A 478 11.822 -9.695 -7.629 1.00 0.00 H new ATOM 0 HD2 ARG A 478 12.873 -10.967 -9.450 1.00 0.00 H new ATOM 0 HD3 ARG A 478 11.209 -11.483 -9.260 1.00 0.00 H new ATOM 0 HE ARG A 478 11.243 -9.393 -11.203 1.00 0.00 H new ATOM 0 HH11 ARG A 478 12.383 -12.728 -10.797 1.00 0.00 H new ATOM 0 HH12 ARG A 478 12.316 -13.077 -12.528 1.00 0.00 H new ATOM 0 HH21 ARG A 478 11.165 -9.869 -13.424 1.00 0.00 H new ATOM 0 HH22 ARG A 478 11.632 -11.471 -14.003 1.00 0.00 H new ATOM 860 N ASN A 479 11.722 -6.508 -7.411 1.00 0.00 N ATOM 861 CA ASN A 479 12.603 -5.361 -7.579 1.00 0.00 C ATOM 862 C ASN A 479 13.951 -5.820 -8.135 1.00 0.00 C ATOM 863 O ASN A 479 14.306 -6.992 -8.010 1.00 0.00 O ATOM 864 CB ASN A 479 12.778 -4.641 -6.239 1.00 0.00 C ATOM 865 CG ASN A 479 11.488 -4.010 -5.727 1.00 0.00 C ATOM 866 OD1 ASN A 479 10.463 -4.007 -6.402 1.00 0.00 O ATOM 867 ND2 ASN A 479 11.531 -3.466 -4.516 1.00 0.00 N ATOM 0 H ASN A 479 12.079 -7.202 -6.755 1.00 0.00 H new ATOM 0 HA ASN A 479 12.160 -4.662 -8.288 1.00 0.00 H new ATOM 0 HB2 ASN A 479 13.148 -5.350 -5.498 1.00 0.00 H new ATOM 0 HB3 ASN A 479 13.537 -3.866 -6.346 1.00 0.00 H new ATOM 0 HD21 ASN A 479 10.697 -3.030 -4.123 1.00 0.00 H new ATOM 0 HD22 ASN A 479 12.398 -3.484 -3.979 1.00 0.00 H new ATOM 874 N GLN A 480 14.700 -4.900 -8.747 1.00 0.00 N ATOM 875 CA GLN A 480 15.997 -5.199 -9.336 1.00 0.00 C ATOM 876 C GLN A 480 16.972 -4.047 -9.089 1.00 0.00 C ATOM 877 O GLN A 480 16.563 -2.934 -8.758 1.00 0.00 O ATOM 878 CB GLN A 480 15.842 -5.441 -10.842 1.00 0.00 C ATOM 879 CG GLN A 480 15.005 -6.692 -11.125 1.00 0.00 C ATOM 880 CD GLN A 480 14.905 -6.986 -12.619 1.00 0.00 C ATOM 881 OE1 GLN A 480 15.381 -6.220 -13.452 1.00 0.00 O ATOM 882 NE2 GLN A 480 14.280 -8.107 -12.972 1.00 0.00 N ATOM 0 H GLN A 480 14.418 -3.925 -8.846 1.00 0.00 H new ATOM 0 HA GLN A 480 16.396 -6.099 -8.868 1.00 0.00 H new ATOM 0 HB2 GLN A 480 15.370 -4.574 -11.304 1.00 0.00 H new ATOM 0 HB3 GLN A 480 16.826 -5.549 -11.298 1.00 0.00 H new ATOM 0 HG2 GLN A 480 15.448 -7.548 -10.616 1.00 0.00 H new ATOM 0 HG3 GLN A 480 14.004 -6.560 -10.714 1.00 0.00 H new ATOM 0 HE21 GLN A 480 13.895 -8.723 -12.256 1.00 0.00 H new ATOM 0 HE22 GLN A 480 14.186 -8.350 -13.958 1.00 0.00 H new ATOM 891 N LYS A 481 18.270 -4.329 -9.250 1.00 0.00 N ATOM 892 CA LYS A 481 19.336 -3.357 -9.048 1.00 0.00 C ATOM 893 C LYS A 481 20.405 -3.529 -10.124 1.00 0.00 C ATOM 894 O LYS A 481 20.418 -4.530 -10.839 1.00 0.00 O ATOM 895 CB LYS A 481 19.951 -3.536 -7.657 1.00 0.00 C ATOM 896 CG LYS A 481 18.933 -3.247 -6.552 1.00 0.00 C ATOM 897 CD LYS A 481 19.612 -3.349 -5.185 1.00 0.00 C ATOM 898 CE LYS A 481 18.601 -3.039 -4.083 1.00 0.00 C ATOM 899 NZ LYS A 481 19.228 -3.106 -2.748 1.00 0.00 N ATOM 0 H LYS A 481 18.607 -5.251 -9.527 1.00 0.00 H new ATOM 0 HA LYS A 481 18.921 -2.352 -9.121 1.00 0.00 H new ATOM 0 HB2 LYS A 481 20.325 -4.555 -7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 481 20.807 -2.870 -7.548 1.00 0.00 H new ATOM 0 HG2 LYS A 481 18.510 -2.251 -6.685 1.00 0.00 H new ATOM 0 HG3 LYS A 481 18.106 -3.955 -6.612 1.00 0.00 H new ATOM 0 HD2 LYS A 481 20.021 -4.350 -5.045 1.00 0.00 H new ATOM 0 HD3 LYS A 481 20.448 -2.652 -5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 481 18.181 -2.046 -4.241 1.00 0.00 H new ATOM 0 HE3 LYS A 481 17.774 -3.747 -4.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 18.518 -2.891 -2.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 19.607 -4.061 -2.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 20.001 -2.413 -2.692 1.00 0.00 H new ATOM 913 N ASN A 482 21.303 -2.550 -10.238 1.00 0.00 N ATOM 914 CA ASN A 482 22.380 -2.581 -11.222 1.00 0.00 C ATOM 915 C ASN A 482 23.406 -3.659 -10.849 1.00 0.00 C ATOM 916 O ASN A 482 23.555 -4.002 -9.677 1.00 0.00 O ATOM 917 CB ASN A 482 23.009 -1.186 -11.310 1.00 0.00 C ATOM 918 CG ASN A 482 23.947 -1.026 -12.500 1.00 0.00 C ATOM 919 OD1 ASN A 482 24.050 -1.899 -13.357 1.00 0.00 O ATOM 920 ND2 ASN A 482 24.648 0.099 -12.565 1.00 0.00 N ATOM 0 H ASN A 482 21.303 -1.716 -9.651 1.00 0.00 H new ATOM 0 HA ASN A 482 21.990 -2.843 -12.206 1.00 0.00 H new ATOM 0 HB2 ASN A 482 22.217 -0.441 -11.377 1.00 0.00 H new ATOM 0 HB3 ASN A 482 23.560 -0.984 -10.391 1.00 0.00 H new ATOM 0 HD21 ASN A 482 25.292 0.255 -13.341 1.00 0.00 H new ATOM 0 HD22 ASN A 482 24.543 0.808 -11.839 1.00 0.00 H new ATOM 927 N ARG A 483 24.117 -4.193 -11.849 1.00 0.00 N ATOM 928 CA ARG A 483 25.101 -5.254 -11.653 1.00 0.00 C ATOM 929 C ARG A 483 26.439 -4.680 -11.179 1.00 0.00 C ATOM 930 O ARG A 483 27.345 -5.425 -10.817 1.00 0.00 O ATOM 931 CB ARG A 483 25.233 -6.026 -12.971 1.00 0.00 C ATOM 932 CG ARG A 483 26.140 -7.259 -12.879 1.00 0.00 C ATOM 933 CD ARG A 483 25.709 -8.214 -11.765 1.00 0.00 C ATOM 934 NE ARG A 483 24.328 -8.673 -11.955 1.00 0.00 N ATOM 935 CZ ARG A 483 23.641 -9.375 -11.049 1.00 0.00 C ATOM 936 NH1 ARG A 483 24.194 -9.715 -9.889 1.00 0.00 N ATOM 937 NH2 ARG A 483 22.389 -9.744 -11.305 1.00 0.00 N ATOM 0 H ARG A 483 24.022 -3.897 -12.820 1.00 0.00 H new ATOM 0 HA ARG A 483 24.774 -5.938 -10.870 1.00 0.00 H new ATOM 0 HB2 ARG A 483 24.242 -6.340 -13.298 1.00 0.00 H new ATOM 0 HB3 ARG A 483 25.624 -5.355 -13.736 1.00 0.00 H new ATOM 0 HG2 ARG A 483 26.129 -7.788 -13.832 1.00 0.00 H new ATOM 0 HG3 ARG A 483 27.167 -6.940 -12.704 1.00 0.00 H new ATOM 0 HD2 ARG A 483 26.379 -9.073 -11.741 1.00 0.00 H new ATOM 0 HD3 ARG A 483 25.798 -7.714 -10.801 1.00 0.00 H new ATOM 0 HE ARG A 483 23.864 -8.442 -12.833 1.00 0.00 H new ATOM 0 HH11 ARG A 483 25.154 -9.440 -9.682 1.00 0.00 H new ATOM 0 HH12 ARG A 483 23.658 -10.251 -9.206 1.00 0.00 H new ATOM 0 HH21 ARG A 483 21.954 -9.491 -12.192 1.00 0.00 H new ATOM 0 HH22 ARG A 483 21.864 -10.280 -10.614 1.00 0.00 H new ATOM 951 N ASP A 484 26.559 -3.351 -11.183 1.00 0.00 N ATOM 952 CA ASP A 484 27.757 -2.643 -10.771 1.00 0.00 C ATOM 953 C ASP A 484 27.361 -1.379 -10.004 1.00 0.00 C ATOM 954 O ASP A 484 26.185 -1.012 -9.975 1.00 0.00 O ATOM 955 CB ASP A 484 28.584 -2.317 -12.019 1.00 0.00 C ATOM 956 CG ASP A 484 29.922 -1.666 -11.667 1.00 0.00 C ATOM 957 OD1 ASP A 484 30.547 -2.116 -10.679 1.00 0.00 O ATOM 958 OD2 ASP A 484 30.312 -0.721 -12.388 1.00 0.00 O ATOM 0 H ASP A 484 25.806 -2.730 -11.480 1.00 0.00 H new ATOM 0 HA ASP A 484 28.364 -3.257 -10.105 1.00 0.00 H new ATOM 0 HB2 ASP A 484 28.764 -3.232 -12.584 1.00 0.00 H new ATOM 0 HB3 ASP A 484 28.015 -1.649 -12.666 1.00 0.00 H new ATOM 963 N SER A 485 28.335 -0.709 -9.384 1.00 0.00 N ATOM 964 CA SER A 485 28.086 0.509 -8.623 1.00 0.00 C ATOM 965 C SER A 485 27.565 1.627 -9.523 1.00 0.00 C ATOM 966 O SER A 485 27.850 1.646 -10.720 1.00 0.00 O ATOM 967 CB SER A 485 29.374 0.949 -7.926 1.00 0.00 C ATOM 968 OG SER A 485 29.831 -0.074 -7.064 1.00 0.00 O ATOM 0 H SER A 485 29.313 -0.997 -9.397 1.00 0.00 H new ATOM 0 HA SER A 485 27.321 0.299 -7.876 1.00 0.00 H new ATOM 0 HB2 SER A 485 30.138 1.179 -8.668 1.00 0.00 H new ATOM 0 HB3 SER A 485 29.196 1.862 -7.358 1.00 0.00 H new ATOM 0 HG SER A 485 30.657 0.215 -6.623 1.00 0.00 H new ATOM 974 N SER A 486 26.801 2.556 -8.935 1.00 0.00 N ATOM 975 CA SER A 486 26.187 3.675 -9.640 1.00 0.00 C ATOM 976 C SER A 486 25.470 3.211 -10.914 1.00 0.00 C ATOM 977 O SER A 486 25.781 3.753 -11.996 1.00 0.00 O ATOM 978 CB SER A 486 27.233 4.755 -9.924 1.00 0.00 C ATOM 979 OG SER A 486 27.801 5.205 -8.713 1.00 0.00 O ATOM 980 OXT SER A 486 24.611 2.310 -10.788 1.00 0.00 O ATOM 0 H SER A 486 26.592 2.546 -7.937 1.00 0.00 H new ATOM 0 HA SER A 486 25.421 4.113 -9.000 1.00 0.00 H new ATOM 0 HB2 SER A 486 28.011 4.357 -10.575 1.00 0.00 H new ATOM 0 HB3 SER A 486 26.772 5.590 -10.452 1.00 0.00 H new ATOM 0 HG SER A 486 28.471 5.895 -8.902 1.00 0.00 H new TER 986 SER A 486 HETATM 987 ZN ZN A 501 0.533 -5.898 5.097 1.00 0.00 ZN HETATM 988 ZN ZN A 502 2.397 3.832 -2.478 1.00 0.00 ZN