USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 539 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 477 HIS : no HE2:sc= -0.38 K(o=0.15,f=-4.6!) USER MOD Set 1.2: A 521 CYS SG : rot 3:sc= 0.527 USER MOD Set 2.1: A 504 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 507 THR OG1 : rot -140:sc= -0.486 USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 457 SER OG : rot 180:sc= 0 USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 460 SER OG : rot 180:sc= 0 USER MOD Single : A 466 GLN : amide:sc= -0.156 K(o=-0.16,f=-0.78) USER MOD Single : A 470 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 471 TYR OH : rot 180:sc= 0 USER MOD Single : A 473 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.307) USER MOD Single : A 474 MET CE :methyl -126:sc= -0.018 (180deg=-0.81) USER MOD Single : A 479 LYS NZ :NH3+ -153:sc= -0.845 (180deg=-1.83!) USER MOD Single : A 489 THR OG1 : rot 180:sc= 0 USER MOD Single : A 498 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 508 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 509 HIS : no HD1:sc= -1.04 K(o=-1,f=-0.44) USER MOD Single : A 512 LYS NZ :NH3+ -155:sc= -0.0682 (180deg=-0.425) USER MOD Single : A 519 GLN : amide:sc= 0.699 K(o=0.7,f=-0.18) USER MOD Single : A 522 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 455 -27.708 9.297 -20.884 1.00 0.00 N ATOM 2 CA GLY A 455 -26.611 9.738 -20.042 1.00 0.00 C ATOM 3 C GLY A 455 -26.883 9.508 -18.569 1.00 0.00 C ATOM 4 O GLY A 455 -28.027 9.296 -18.168 1.00 0.00 O ATOM 0 HA2 GLY A 455 -25.702 9.208 -20.328 1.00 0.00 H new ATOM 0 HA3 GLY A 455 -26.429 10.799 -20.214 1.00 0.00 H new ATOM 8 N SER A 456 -25.828 9.548 -17.761 1.00 0.00 N ATOM 9 CA SER A 456 -25.958 9.336 -16.324 1.00 0.00 C ATOM 10 C SER A 456 -25.979 10.668 -15.579 1.00 0.00 C ATOM 11 O SER A 456 -26.809 10.884 -14.696 1.00 0.00 O ATOM 12 CB SER A 456 -24.808 8.469 -15.809 1.00 0.00 C ATOM 13 OG SER A 456 -24.926 8.240 -14.416 1.00 0.00 O ATOM 0 H SER A 456 -24.874 9.725 -18.077 1.00 0.00 H new ATOM 0 HA SER A 456 -26.901 8.821 -16.141 1.00 0.00 H new ATOM 0 HB2 SER A 456 -24.802 7.516 -16.338 1.00 0.00 H new ATOM 0 HB3 SER A 456 -23.857 8.958 -16.021 1.00 0.00 H new ATOM 0 HG SER A 456 -24.180 7.682 -14.112 1.00 0.00 H new ATOM 19 N SER A 457 -25.060 11.556 -15.942 1.00 0.00 N ATOM 20 CA SER A 457 -24.969 12.865 -15.306 1.00 0.00 C ATOM 21 C SER A 457 -25.753 13.909 -16.096 1.00 0.00 C ATOM 22 O SER A 457 -25.865 13.823 -17.318 1.00 0.00 O ATOM 23 CB SER A 457 -23.506 13.296 -15.183 1.00 0.00 C ATOM 24 OG SER A 457 -22.772 12.385 -14.382 1.00 0.00 O ATOM 0 H SER A 457 -24.368 11.393 -16.673 1.00 0.00 H new ATOM 0 HA SER A 457 -25.403 12.787 -14.309 1.00 0.00 H new ATOM 0 HB2 SER A 457 -23.057 13.357 -16.174 1.00 0.00 H new ATOM 0 HB3 SER A 457 -23.453 14.293 -14.747 1.00 0.00 H new ATOM 0 HG SER A 457 -21.840 12.681 -14.320 1.00 0.00 H new ATOM 30 N GLY A 458 -26.295 14.895 -15.387 1.00 0.00 N ATOM 31 CA GLY A 458 -27.062 15.941 -16.038 1.00 0.00 C ATOM 32 C GLY A 458 -27.324 17.121 -15.123 1.00 0.00 C ATOM 33 O GLY A 458 -26.878 18.236 -15.394 1.00 0.00 O ATOM 0 H GLY A 458 -26.217 14.988 -14.374 1.00 0.00 H new ATOM 0 HA2 GLY A 458 -26.526 16.283 -16.923 1.00 0.00 H new ATOM 0 HA3 GLY A 458 -28.013 15.532 -16.380 1.00 0.00 H new ATOM 37 N SER A 459 -28.051 16.877 -14.038 1.00 0.00 N ATOM 38 CA SER A 459 -28.377 17.930 -13.083 1.00 0.00 C ATOM 39 C SER A 459 -27.109 18.568 -12.525 1.00 0.00 C ATOM 40 O SER A 459 -26.174 17.873 -12.128 1.00 0.00 O ATOM 41 CB SER A 459 -29.224 17.367 -11.940 1.00 0.00 C ATOM 42 OG SER A 459 -29.867 18.406 -11.223 1.00 0.00 O ATOM 0 H SER A 459 -28.426 15.959 -13.798 1.00 0.00 H new ATOM 0 HA SER A 459 -28.949 18.696 -13.606 1.00 0.00 H new ATOM 0 HB2 SER A 459 -29.970 16.681 -12.340 1.00 0.00 H new ATOM 0 HB3 SER A 459 -28.592 16.791 -11.264 1.00 0.00 H new ATOM 0 HG SER A 459 -30.403 18.021 -10.499 1.00 0.00 H new ATOM 48 N SER A 460 -27.086 19.897 -12.498 1.00 0.00 N ATOM 49 CA SER A 460 -25.932 20.631 -11.992 1.00 0.00 C ATOM 50 C SER A 460 -25.401 19.994 -10.711 1.00 0.00 C ATOM 51 O SER A 460 -26.135 19.318 -9.991 1.00 0.00 O ATOM 52 CB SER A 460 -26.304 22.092 -11.733 1.00 0.00 C ATOM 53 OG SER A 460 -26.779 22.715 -12.913 1.00 0.00 O ATOM 0 H SER A 460 -27.853 20.487 -12.820 1.00 0.00 H new ATOM 0 HA SER A 460 -25.148 20.592 -12.748 1.00 0.00 H new ATOM 0 HB2 SER A 460 -27.069 22.144 -10.958 1.00 0.00 H new ATOM 0 HB3 SER A 460 -25.434 22.631 -11.359 1.00 0.00 H new ATOM 0 HG SER A 460 -27.011 23.647 -12.720 1.00 0.00 H new ATOM 59 N GLY A 461 -24.120 20.216 -10.433 1.00 0.00 N ATOM 60 CA GLY A 461 -23.512 19.658 -9.240 1.00 0.00 C ATOM 61 C GLY A 461 -21.998 19.721 -9.277 1.00 0.00 C ATOM 62 O GLY A 461 -21.380 19.352 -10.275 1.00 0.00 O ATOM 0 H GLY A 461 -23.492 20.773 -11.013 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -23.874 20.198 -8.365 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -23.827 18.621 -9.127 1.00 0.00 H new ATOM 66 N GLU A 462 -21.400 20.191 -8.186 1.00 0.00 N ATOM 67 CA GLU A 462 -19.949 20.303 -8.100 1.00 0.00 C ATOM 68 C GLU A 462 -19.294 18.925 -8.136 1.00 0.00 C ATOM 69 O GLU A 462 -19.295 18.199 -7.141 1.00 0.00 O ATOM 70 CB GLU A 462 -19.547 21.038 -6.820 1.00 0.00 C ATOM 71 CG GLU A 462 -19.671 22.549 -6.921 1.00 0.00 C ATOM 72 CD GLU A 462 -18.926 23.117 -8.113 1.00 0.00 C ATOM 73 OE1 GLU A 462 -17.871 22.555 -8.474 1.00 0.00 O ATOM 74 OE2 GLU A 462 -19.396 24.123 -8.683 1.00 0.00 O ATOM 0 H GLU A 462 -21.898 20.500 -7.351 1.00 0.00 H new ATOM 0 HA GLU A 462 -19.602 20.873 -8.962 1.00 0.00 H new ATOM 0 HB2 GLU A 462 -20.169 20.685 -5.998 1.00 0.00 H new ATOM 0 HB3 GLU A 462 -18.517 20.782 -6.573 1.00 0.00 H new ATOM 0 HG2 GLU A 462 -20.724 22.819 -6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 462 -19.287 23.003 -6.007 1.00 0.00 H new ATOM 81 N PHE A 463 -18.736 18.572 -9.288 1.00 0.00 N ATOM 82 CA PHE A 463 -18.078 17.281 -9.455 1.00 0.00 C ATOM 83 C PHE A 463 -16.654 17.321 -8.909 1.00 0.00 C ATOM 84 O PHE A 463 -15.952 18.328 -9.010 1.00 0.00 O ATOM 85 CB PHE A 463 -18.059 16.881 -10.932 1.00 0.00 C ATOM 86 CG PHE A 463 -19.358 16.300 -11.413 1.00 0.00 C ATOM 87 CD1 PHE A 463 -19.974 15.274 -10.715 1.00 0.00 C ATOM 88 CD2 PHE A 463 -19.963 16.780 -12.564 1.00 0.00 C ATOM 89 CE1 PHE A 463 -21.169 14.738 -11.154 1.00 0.00 C ATOM 90 CE2 PHE A 463 -21.158 16.248 -13.008 1.00 0.00 C ATOM 91 CZ PHE A 463 -21.762 15.225 -12.303 1.00 0.00 C ATOM 0 H PHE A 463 -18.726 19.161 -10.120 1.00 0.00 H new ATOM 0 HA PHE A 463 -18.643 16.538 -8.892 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -17.817 17.757 -11.534 1.00 0.00 H new ATOM 0 HB3 PHE A 463 -17.263 16.154 -11.093 1.00 0.00 H new ATOM 0 HD1 PHE A 463 -19.514 14.889 -9.817 1.00 0.00 H new ATOM 0 HD2 PHE A 463 -19.495 17.579 -13.120 1.00 0.00 H new ATOM 0 HE1 PHE A 463 -21.639 13.939 -10.600 1.00 0.00 H new ATOM 0 HE2 PHE A 463 -21.620 16.632 -13.906 1.00 0.00 H new ATOM 0 HZ PHE A 463 -22.696 14.807 -12.649 1.00 0.00 H new ATOM 101 N PRO A 464 -16.216 16.201 -8.316 1.00 0.00 N ATOM 102 CA PRO A 464 -14.872 16.082 -7.742 1.00 0.00 C ATOM 103 C PRO A 464 -13.785 16.058 -8.811 1.00 0.00 C ATOM 104 O PRO A 464 -13.760 15.170 -9.664 1.00 0.00 O ATOM 105 CB PRO A 464 -14.921 14.745 -6.998 1.00 0.00 C ATOM 106 CG PRO A 464 -15.978 13.961 -7.697 1.00 0.00 C ATOM 107 CD PRO A 464 -16.999 14.963 -8.160 1.00 0.00 C ATOM 0 HA PRO A 464 -14.624 16.931 -7.105 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -13.959 14.235 -7.037 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -15.164 14.887 -5.945 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -15.562 13.410 -8.540 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -16.427 13.227 -7.027 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -17.463 14.660 -9.099 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -17.802 15.084 -7.433 1.00 0.00 H new ATOM 115 N ALA A 465 -12.888 17.037 -8.759 1.00 0.00 N ATOM 116 CA ALA A 465 -11.797 17.126 -9.722 1.00 0.00 C ATOM 117 C ALA A 465 -10.447 16.927 -9.041 1.00 0.00 C ATOM 118 O ALA A 465 -9.601 16.178 -9.528 1.00 0.00 O ATOM 119 CB ALA A 465 -11.836 18.466 -10.441 1.00 0.00 C ATOM 0 H ALA A 465 -12.895 17.780 -8.060 1.00 0.00 H new ATOM 0 HA ALA A 465 -11.926 16.330 -10.455 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -11.016 18.519 -11.157 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -12.785 18.569 -10.968 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -11.735 19.272 -9.714 1.00 0.00 H new ATOM 125 N GLN A 466 -10.253 17.603 -7.913 1.00 0.00 N ATOM 126 CA GLN A 466 -9.004 17.501 -7.167 1.00 0.00 C ATOM 127 C GLN A 466 -8.489 16.066 -7.163 1.00 0.00 C ATOM 128 O GLN A 466 -9.113 15.175 -6.588 1.00 0.00 O ATOM 129 CB GLN A 466 -9.202 17.989 -5.731 1.00 0.00 C ATOM 130 CG GLN A 466 -9.472 19.482 -5.628 1.00 0.00 C ATOM 131 CD GLN A 466 -8.251 20.319 -5.953 1.00 0.00 C ATOM 132 OE1 GLN A 466 -7.905 20.506 -7.120 1.00 0.00 O ATOM 133 NE2 GLN A 466 -7.590 20.830 -4.921 1.00 0.00 N ATOM 0 H GLN A 466 -10.944 18.227 -7.496 1.00 0.00 H new ATOM 0 HA GLN A 466 -8.263 18.132 -7.658 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -10.034 17.446 -5.283 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -8.313 17.748 -5.148 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -10.282 19.749 -6.307 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -9.811 19.717 -4.619 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -7.911 20.650 -3.970 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -6.761 21.403 -5.079 1.00 0.00 H new ATOM 142 N GLU A 467 -7.346 15.850 -7.808 1.00 0.00 N ATOM 143 CA GLU A 467 -6.749 14.522 -7.878 1.00 0.00 C ATOM 144 C GLU A 467 -6.401 14.008 -6.484 1.00 0.00 C ATOM 145 O GLU A 467 -6.087 14.786 -5.583 1.00 0.00 O ATOM 146 CB GLU A 467 -5.493 14.550 -8.752 1.00 0.00 C ATOM 147 CG GLU A 467 -5.746 15.042 -10.166 1.00 0.00 C ATOM 148 CD GLU A 467 -6.782 14.211 -10.897 1.00 0.00 C ATOM 149 OE1 GLU A 467 -6.590 12.981 -11.000 1.00 0.00 O ATOM 150 OE2 GLU A 467 -7.785 14.789 -11.366 1.00 0.00 O ATOM 0 H GLU A 467 -6.816 16.577 -8.289 1.00 0.00 H new ATOM 0 HA GLU A 467 -7.479 13.846 -8.324 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -4.747 15.191 -8.281 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -5.069 13.547 -8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -6.077 16.080 -10.132 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -4.811 15.024 -10.726 1.00 0.00 H new ATOM 157 N LEU A 468 -6.459 12.691 -6.314 1.00 0.00 N ATOM 158 CA LEU A 468 -6.150 12.071 -5.030 1.00 0.00 C ATOM 159 C LEU A 468 -4.779 12.512 -4.528 1.00 0.00 C ATOM 160 O LEU A 468 -3.968 13.039 -5.290 1.00 0.00 O ATOM 161 CB LEU A 468 -6.195 10.547 -5.154 1.00 0.00 C ATOM 162 CG LEU A 468 -7.582 9.929 -5.333 1.00 0.00 C ATOM 163 CD1 LEU A 468 -7.472 8.430 -5.566 1.00 0.00 C ATOM 164 CD2 LEU A 468 -8.455 10.219 -4.121 1.00 0.00 C ATOM 0 H LEU A 468 -6.717 12.032 -7.049 1.00 0.00 H new ATOM 0 HA LEU A 468 -6.901 12.393 -4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -5.576 10.253 -6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -5.740 10.116 -4.262 1.00 0.00 H new ATOM 0 HG LEU A 468 -8.049 10.379 -6.209 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -8.469 8.007 -5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -6.883 8.244 -6.464 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -6.985 7.963 -4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -9.438 9.772 -4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -7.992 9.796 -3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -8.561 11.297 -3.999 1.00 0.00 H new ATOM 176 N ARG A 469 -4.527 12.290 -3.242 1.00 0.00 N ATOM 177 CA ARG A 469 -3.253 12.663 -2.638 1.00 0.00 C ATOM 178 C ARG A 469 -2.188 11.607 -2.919 1.00 0.00 C ATOM 179 O ARG A 469 -2.463 10.584 -3.545 1.00 0.00 O ATOM 180 CB ARG A 469 -3.416 12.851 -1.129 1.00 0.00 C ATOM 181 CG ARG A 469 -4.361 13.980 -0.754 1.00 0.00 C ATOM 182 CD ARG A 469 -3.675 15.334 -0.843 1.00 0.00 C ATOM 183 NE ARG A 469 -4.626 16.415 -1.086 1.00 0.00 N ATOM 184 CZ ARG A 469 -4.267 17.676 -1.298 1.00 0.00 C ATOM 185 NH1 ARG A 469 -2.984 18.013 -1.296 1.00 0.00 N ATOM 186 NH2 ARG A 469 -5.191 18.604 -1.512 1.00 0.00 N ATOM 0 H ARG A 469 -5.188 11.854 -2.599 1.00 0.00 H new ATOM 0 HA ARG A 469 -2.931 13.605 -3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -3.783 11.922 -0.693 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -2.438 13.045 -0.688 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -5.227 13.966 -1.416 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -4.731 13.824 0.259 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -3.135 15.528 0.084 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -2.936 15.314 -1.644 1.00 0.00 H new ATOM 0 HE ARG A 469 -5.621 16.189 -1.093 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -2.270 17.303 -1.131 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -2.711 18.982 -1.459 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -6.179 18.349 -1.514 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -4.914 19.572 -1.675 1.00 0.00 H new ATOM 200 N LYS A 470 -0.971 11.863 -2.452 1.00 0.00 N ATOM 201 CA LYS A 470 0.136 10.936 -2.651 1.00 0.00 C ATOM 202 C LYS A 470 0.532 10.271 -1.337 1.00 0.00 C ATOM 203 O LYS A 470 1.706 10.257 -0.965 1.00 0.00 O ATOM 204 CB LYS A 470 1.341 11.668 -3.247 1.00 0.00 C ATOM 205 CG LYS A 470 1.051 12.328 -4.584 1.00 0.00 C ATOM 206 CD LYS A 470 0.479 13.724 -4.404 1.00 0.00 C ATOM 207 CE LYS A 470 0.419 14.477 -5.725 1.00 0.00 C ATOM 208 NZ LYS A 470 -0.452 15.681 -5.638 1.00 0.00 N ATOM 0 H LYS A 470 -0.726 12.706 -1.932 1.00 0.00 H new ATOM 0 HA LYS A 470 -0.192 10.162 -3.345 1.00 0.00 H new ATOM 0 HB2 LYS A 470 1.679 12.427 -2.542 1.00 0.00 H new ATOM 0 HB3 LYS A 470 2.161 10.960 -3.371 1.00 0.00 H new ATOM 0 HG2 LYS A 470 1.968 12.382 -5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 470 0.348 11.716 -5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 470 -0.522 13.656 -3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 470 1.091 14.280 -3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 470 1.425 14.777 -6.018 1.00 0.00 H new ATOM 0 HE3 LYS A 470 0.045 13.813 -6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 -0.466 16.166 -6.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 -1.418 15.393 -5.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 -0.081 16.326 -4.912 1.00 0.00 H new ATOM 222 N TYR A 471 -0.454 9.719 -0.638 1.00 0.00 N ATOM 223 CA TYR A 471 -0.209 9.052 0.635 1.00 0.00 C ATOM 224 C TYR A 471 -0.802 7.647 0.638 1.00 0.00 C ATOM 225 O TYR A 471 -1.980 7.457 0.332 1.00 0.00 O ATOM 226 CB TYR A 471 -0.800 9.870 1.785 1.00 0.00 C ATOM 227 CG TYR A 471 0.012 11.096 2.136 1.00 0.00 C ATOM 228 CD1 TYR A 471 1.215 10.985 2.821 1.00 0.00 C ATOM 229 CD2 TYR A 471 -0.425 12.367 1.781 1.00 0.00 C ATOM 230 CE1 TYR A 471 1.959 12.103 3.144 1.00 0.00 C ATOM 231 CE2 TYR A 471 0.313 13.490 2.099 1.00 0.00 C ATOM 232 CZ TYR A 471 1.504 13.353 2.781 1.00 0.00 C ATOM 233 OH TYR A 471 2.244 14.469 3.099 1.00 0.00 O ATOM 0 H TYR A 471 -1.431 9.720 -0.932 1.00 0.00 H new ATOM 0 HA TYR A 471 0.869 8.971 0.772 1.00 0.00 H new ATOM 0 HB2 TYR A 471 -1.811 10.178 1.518 1.00 0.00 H new ATOM 0 HB3 TYR A 471 -0.883 9.235 2.667 1.00 0.00 H new ATOM 0 HD1 TYR A 471 1.575 10.008 3.106 1.00 0.00 H new ATOM 0 HD2 TYR A 471 -1.357 12.478 1.247 1.00 0.00 H new ATOM 0 HE1 TYR A 471 2.892 11.999 3.678 1.00 0.00 H new ATOM 0 HE2 TYR A 471 -0.040 14.470 1.815 1.00 0.00 H new ATOM 0 HH TYR A 471 1.785 15.270 2.771 1.00 0.00 H new ATOM 243 N PHE A 472 0.022 6.664 0.986 1.00 0.00 N ATOM 244 CA PHE A 472 -0.420 5.275 1.029 1.00 0.00 C ATOM 245 C PHE A 472 -1.678 5.130 1.880 1.00 0.00 C ATOM 246 O PHE A 472 -1.608 5.069 3.108 1.00 0.00 O ATOM 247 CB PHE A 472 0.691 4.381 1.584 1.00 0.00 C ATOM 248 CG PHE A 472 2.062 4.761 1.104 1.00 0.00 C ATOM 249 CD1 PHE A 472 2.248 5.272 -0.171 1.00 0.00 C ATOM 250 CD2 PHE A 472 3.167 4.607 1.926 1.00 0.00 C ATOM 251 CE1 PHE A 472 3.508 5.623 -0.616 1.00 0.00 C ATOM 252 CE2 PHE A 472 4.429 4.957 1.487 1.00 0.00 C ATOM 253 CZ PHE A 472 4.601 5.464 0.214 1.00 0.00 C ATOM 0 H PHE A 472 0.999 6.804 1.242 1.00 0.00 H new ATOM 0 HA PHE A 472 -0.654 4.963 0.011 1.00 0.00 H new ATOM 0 HB2 PHE A 472 0.671 4.424 2.673 1.00 0.00 H new ATOM 0 HB3 PHE A 472 0.490 3.347 1.302 1.00 0.00 H new ATOM 0 HD1 PHE A 472 1.397 5.397 -0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 472 3.040 4.209 2.922 1.00 0.00 H new ATOM 0 HE1 PHE A 472 3.638 6.021 -1.611 1.00 0.00 H new ATOM 0 HE2 PHE A 472 5.281 4.834 2.139 1.00 0.00 H new ATOM 0 HZ PHE A 472 5.587 5.736 -0.132 1.00 0.00 H new ATOM 263 N LYS A 473 -2.829 5.077 1.219 1.00 0.00 N ATOM 264 CA LYS A 473 -4.104 4.939 1.912 1.00 0.00 C ATOM 265 C LYS A 473 -4.836 3.679 1.461 1.00 0.00 C ATOM 266 O LYS A 473 -4.839 3.343 0.277 1.00 0.00 O ATOM 267 CB LYS A 473 -4.981 6.168 1.661 1.00 0.00 C ATOM 268 CG LYS A 473 -4.514 7.409 2.401 1.00 0.00 C ATOM 269 CD LYS A 473 -5.479 8.568 2.210 1.00 0.00 C ATOM 270 CE LYS A 473 -5.287 9.635 3.277 1.00 0.00 C ATOM 271 NZ LYS A 473 -4.232 10.615 2.897 1.00 0.00 N ATOM 0 H LYS A 473 -2.905 5.128 0.203 1.00 0.00 H new ATOM 0 HA LYS A 473 -3.901 4.857 2.980 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -5.000 6.378 0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -6.004 5.941 1.959 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -4.418 7.186 3.464 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -3.525 7.696 2.045 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -5.331 9.008 1.224 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -6.504 8.199 2.244 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -6.228 10.160 3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -5.019 9.161 4.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -4.364 11.494 3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -3.295 10.216 3.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -4.299 10.820 1.880 1.00 0.00 H new ATOM 285 N MET A 474 -5.455 2.986 2.411 1.00 0.00 N ATOM 286 CA MET A 474 -6.192 1.765 2.109 1.00 0.00 C ATOM 287 C MET A 474 -6.863 1.858 0.743 1.00 0.00 C ATOM 288 O MET A 474 -7.506 2.857 0.423 1.00 0.00 O ATOM 289 CB MET A 474 -7.242 1.497 3.189 1.00 0.00 C ATOM 290 CG MET A 474 -7.715 0.053 3.232 1.00 0.00 C ATOM 291 SD MET A 474 -8.904 -0.249 4.554 1.00 0.00 S ATOM 292 CE MET A 474 -9.167 -2.012 4.376 1.00 0.00 C ATOM 0 H MET A 474 -5.461 3.249 3.396 1.00 0.00 H new ATOM 0 HA MET A 474 -5.482 0.938 2.089 1.00 0.00 H new ATOM 0 HB2 MET A 474 -6.828 1.764 4.161 1.00 0.00 H new ATOM 0 HB3 MET A 474 -8.100 2.147 3.019 1.00 0.00 H new ATOM 0 HG2 MET A 474 -8.168 -0.206 2.275 1.00 0.00 H new ATOM 0 HG3 MET A 474 -6.855 -0.603 3.365 1.00 0.00 H new ATOM 0 HE1 MET A 474 -10.234 -2.212 4.274 1.00 0.00 H new ATOM 0 HE2 MET A 474 -8.644 -2.370 3.489 1.00 0.00 H new ATOM 0 HE3 MET A 474 -8.784 -2.528 5.257 1.00 0.00 H new ATOM 302 N GLY A 475 -6.708 0.810 -0.061 1.00 0.00 N ATOM 303 CA GLY A 475 -7.304 0.795 -1.384 1.00 0.00 C ATOM 304 C GLY A 475 -6.295 1.081 -2.478 1.00 0.00 C ATOM 305 O GLY A 475 -6.322 0.453 -3.537 1.00 0.00 O ATOM 0 H GLY A 475 -6.180 -0.029 0.181 1.00 0.00 H new ATOM 0 HA2 GLY A 475 -7.762 -0.178 -1.562 1.00 0.00 H new ATOM 0 HA3 GLY A 475 -8.102 1.536 -1.428 1.00 0.00 H new ATOM 309 N ASP A 476 -5.403 2.032 -2.224 1.00 0.00 N ATOM 310 CA ASP A 476 -4.380 2.401 -3.196 1.00 0.00 C ATOM 311 C ASP A 476 -3.335 1.298 -3.330 1.00 0.00 C ATOM 312 O ASP A 476 -3.159 0.482 -2.425 1.00 0.00 O ATOM 313 CB ASP A 476 -3.708 3.713 -2.788 1.00 0.00 C ATOM 314 CG ASP A 476 -4.579 4.921 -3.065 1.00 0.00 C ATOM 315 OD1 ASP A 476 -5.817 4.762 -3.107 1.00 0.00 O ATOM 316 OD2 ASP A 476 -4.024 6.026 -3.241 1.00 0.00 O ATOM 0 H ASP A 476 -5.367 2.562 -1.353 1.00 0.00 H new ATOM 0 HA ASP A 476 -4.864 2.536 -4.163 1.00 0.00 H new ATOM 0 HB2 ASP A 476 -3.467 3.679 -1.726 1.00 0.00 H new ATOM 0 HB3 ASP A 476 -2.766 3.817 -3.326 1.00 0.00 H new ATOM 321 N HIS A 477 -2.643 1.280 -4.465 1.00 0.00 N ATOM 322 CA HIS A 477 -1.615 0.276 -4.717 1.00 0.00 C ATOM 323 C HIS A 477 -0.222 0.861 -4.504 1.00 0.00 C ATOM 324 O HIS A 477 0.064 1.981 -4.927 1.00 0.00 O ATOM 325 CB HIS A 477 -1.740 -0.266 -6.141 1.00 0.00 C ATOM 326 CG HIS A 477 -0.715 -1.305 -6.479 1.00 0.00 C ATOM 327 ND1 HIS A 477 0.145 -1.193 -7.551 1.00 0.00 N ATOM 328 CD2 HIS A 477 -0.415 -2.480 -5.878 1.00 0.00 C ATOM 329 CE1 HIS A 477 0.929 -2.255 -7.595 1.00 0.00 C ATOM 330 NE2 HIS A 477 0.611 -3.051 -6.591 1.00 0.00 N ATOM 0 H HIS A 477 -2.775 1.948 -5.224 1.00 0.00 H new ATOM 0 HA HIS A 477 -1.759 -0.542 -4.011 1.00 0.00 H new ATOM 0 HB2 HIS A 477 -2.734 -0.692 -6.273 1.00 0.00 H new ATOM 0 HB3 HIS A 477 -1.652 0.562 -6.845 1.00 0.00 H new ATOM 0 HD1 HIS A 477 0.172 -0.412 -8.207 1.00 0.00 H new ATOM 0 HD2 HIS A 477 -0.893 -2.892 -5.001 1.00 0.00 H new ATOM 0 HE1 HIS A 477 1.700 -2.441 -8.328 1.00 0.00 H new ATOM 338 N VAL A 478 0.641 0.095 -3.843 1.00 0.00 N ATOM 339 CA VAL A 478 2.004 0.537 -3.573 1.00 0.00 C ATOM 340 C VAL A 478 3.000 -0.601 -3.772 1.00 0.00 C ATOM 341 O VAL A 478 2.632 -1.775 -3.743 1.00 0.00 O ATOM 342 CB VAL A 478 2.144 1.082 -2.140 1.00 0.00 C ATOM 343 CG1 VAL A 478 1.008 2.043 -1.820 1.00 0.00 C ATOM 344 CG2 VAL A 478 2.184 -0.061 -1.137 1.00 0.00 C ATOM 0 H VAL A 478 0.420 -0.834 -3.485 1.00 0.00 H new ATOM 0 HA VAL A 478 2.224 1.337 -4.281 1.00 0.00 H new ATOM 0 HB VAL A 478 3.083 1.631 -2.069 1.00 0.00 H new ATOM 0 HG11 VAL A 478 1.124 2.418 -0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 478 1.030 2.879 -2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 478 0.055 1.522 -1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 478 2.283 0.343 -0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 478 1.263 -0.639 -1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 478 3.035 -0.707 -1.355 1.00 0.00 H new ATOM 354 N LYS A 479 4.264 -0.245 -3.973 1.00 0.00 N ATOM 355 CA LYS A 479 5.315 -1.234 -4.175 1.00 0.00 C ATOM 356 C LYS A 479 6.428 -1.063 -3.147 1.00 0.00 C ATOM 357 O LYS A 479 6.578 0.003 -2.550 1.00 0.00 O ATOM 358 CB LYS A 479 5.890 -1.117 -5.589 1.00 0.00 C ATOM 359 CG LYS A 479 7.221 -1.827 -5.765 1.00 0.00 C ATOM 360 CD LYS A 479 7.677 -1.805 -7.214 1.00 0.00 C ATOM 361 CE LYS A 479 8.523 -0.576 -7.513 1.00 0.00 C ATOM 362 NZ LYS A 479 7.747 0.684 -7.353 1.00 0.00 N ATOM 0 H LYS A 479 4.585 0.723 -4.000 1.00 0.00 H new ATOM 0 HA LYS A 479 4.876 -2.224 -4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 479 5.172 -1.527 -6.299 1.00 0.00 H new ATOM 0 HB3 LYS A 479 6.015 -0.063 -5.835 1.00 0.00 H new ATOM 0 HG2 LYS A 479 7.975 -1.350 -5.138 1.00 0.00 H new ATOM 0 HG3 LYS A 479 7.131 -2.859 -5.426 1.00 0.00 H new ATOM 0 HD2 LYS A 479 8.252 -2.705 -7.429 1.00 0.00 H new ATOM 0 HD3 LYS A 479 6.807 -1.818 -7.871 1.00 0.00 H new ATOM 0 HE2 LYS A 479 9.386 -0.558 -6.847 1.00 0.00 H new ATOM 0 HE3 LYS A 479 8.908 -0.639 -8.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 479 8.151 1.421 -7.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 479 6.756 0.517 -7.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 479 7.792 0.996 -6.362 1.00 0.00 H new ATOM 376 N VAL A 480 7.209 -2.120 -2.944 1.00 0.00 N ATOM 377 CA VAL A 480 8.311 -2.086 -1.990 1.00 0.00 C ATOM 378 C VAL A 480 9.653 -1.973 -2.704 1.00 0.00 C ATOM 379 O VAL A 480 10.003 -2.821 -3.525 1.00 0.00 O ATOM 380 CB VAL A 480 8.320 -3.341 -1.098 1.00 0.00 C ATOM 381 CG1 VAL A 480 9.432 -3.254 -0.064 1.00 0.00 C ATOM 382 CG2 VAL A 480 6.968 -3.525 -0.424 1.00 0.00 C ATOM 0 H VAL A 480 7.098 -3.011 -3.428 1.00 0.00 H new ATOM 0 HA VAL A 480 8.161 -1.206 -1.364 1.00 0.00 H new ATOM 0 HB VAL A 480 8.509 -4.211 -1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.422 -4.150 0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 480 10.394 -3.174 -0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.278 -2.376 0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 480 6.992 -4.417 0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 480 6.747 -2.654 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 480 6.195 -3.637 -1.184 1.00 0.00 H new ATOM 392 N ILE A 481 10.400 -0.922 -2.385 1.00 0.00 N ATOM 393 CA ILE A 481 11.705 -0.700 -2.995 1.00 0.00 C ATOM 394 C ILE A 481 12.830 -1.111 -2.051 1.00 0.00 C ATOM 395 O ILE A 481 13.941 -1.412 -2.487 1.00 0.00 O ATOM 396 CB ILE A 481 11.897 0.776 -3.391 1.00 0.00 C ATOM 397 CG1 ILE A 481 11.921 1.663 -2.145 1.00 0.00 C ATOM 398 CG2 ILE A 481 10.794 1.217 -4.341 1.00 0.00 C ATOM 399 CD1 ILE A 481 12.559 3.015 -2.377 1.00 0.00 C ATOM 0 H ILE A 481 10.124 -0.211 -1.708 1.00 0.00 H new ATOM 0 HA ILE A 481 11.743 -1.317 -3.893 1.00 0.00 H new ATOM 0 HB ILE A 481 12.854 0.877 -3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 481 10.900 1.808 -1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 481 12.462 1.147 -1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 481 10.943 2.262 -4.612 1.00 0.00 H new ATOM 0 HG22 ILE A 481 10.821 0.602 -5.240 1.00 0.00 H new ATOM 0 HG23 ILE A 481 9.826 1.104 -3.853 1.00 0.00 H new ATOM 0 HD11 ILE A 481 12.541 3.590 -1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 481 13.591 2.880 -2.700 1.00 0.00 H new ATOM 0 HD13 ILE A 481 12.005 3.551 -3.148 1.00 0.00 H new ATOM 411 N ALA A 482 12.534 -1.123 -0.756 1.00 0.00 N ATOM 412 CA ALA A 482 13.519 -1.502 0.250 1.00 0.00 C ATOM 413 C ALA A 482 12.861 -2.232 1.416 1.00 0.00 C ATOM 414 O ALA A 482 11.636 -2.297 1.508 1.00 0.00 O ATOM 415 CB ALA A 482 14.264 -0.272 0.748 1.00 0.00 C ATOM 0 H ALA A 482 11.620 -0.875 -0.378 1.00 0.00 H new ATOM 0 HA ALA A 482 14.232 -2.183 -0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 482 14.996 -0.569 1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 482 14.775 0.207 -0.087 1.00 0.00 H new ATOM 0 HB3 ALA A 482 13.555 0.428 1.190 1.00 0.00 H new ATOM 421 N GLY A 483 13.683 -2.781 2.304 1.00 0.00 N ATOM 422 CA GLY A 483 13.162 -3.501 3.452 1.00 0.00 C ATOM 423 C GLY A 483 13.284 -5.004 3.298 1.00 0.00 C ATOM 424 O GLY A 483 14.001 -5.489 2.423 1.00 0.00 O ATOM 0 H GLY A 483 14.701 -2.740 2.250 1.00 0.00 H new ATOM 0 HA2 GLY A 483 13.697 -3.186 4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 483 12.114 -3.238 3.597 1.00 0.00 H new ATOM 428 N ARG A 484 12.584 -5.743 4.153 1.00 0.00 N ATOM 429 CA ARG A 484 12.620 -7.200 4.110 1.00 0.00 C ATOM 430 C ARG A 484 11.771 -7.731 2.958 1.00 0.00 C ATOM 431 O ARG A 484 11.782 -8.926 2.664 1.00 0.00 O ATOM 432 CB ARG A 484 12.123 -7.783 5.434 1.00 0.00 C ATOM 433 CG ARG A 484 12.531 -9.230 5.653 1.00 0.00 C ATOM 434 CD ARG A 484 11.560 -9.949 6.577 1.00 0.00 C ATOM 435 NE ARG A 484 11.851 -9.692 7.985 1.00 0.00 N ATOM 436 CZ ARG A 484 10.946 -9.789 8.952 1.00 0.00 C ATOM 437 NH1 ARG A 484 9.699 -10.135 8.665 1.00 0.00 N ATOM 438 NH2 ARG A 484 11.288 -9.540 10.210 1.00 0.00 N ATOM 0 H ARG A 484 11.986 -5.357 4.883 1.00 0.00 H new ATOM 0 HA ARG A 484 13.653 -7.508 3.950 1.00 0.00 H new ATOM 0 HB2 ARG A 484 12.507 -7.178 6.255 1.00 0.00 H new ATOM 0 HB3 ARG A 484 11.036 -7.712 5.467 1.00 0.00 H new ATOM 0 HG2 ARG A 484 12.573 -9.747 4.694 1.00 0.00 H new ATOM 0 HG3 ARG A 484 13.534 -9.266 6.078 1.00 0.00 H new ATOM 0 HD2 ARG A 484 10.542 -9.629 6.353 1.00 0.00 H new ATOM 0 HD3 ARG A 484 11.606 -11.021 6.387 1.00 0.00 H new ATOM 0 HE ARG A 484 12.801 -9.423 8.240 1.00 0.00 H new ATOM 0 HH11 ARG A 484 9.433 -10.328 7.699 1.00 0.00 H new ATOM 0 HH12 ARG A 484 9.006 -10.209 9.410 1.00 0.00 H new ATOM 0 HH21 ARG A 484 12.247 -9.274 10.435 1.00 0.00 H new ATOM 0 HH22 ARG A 484 10.592 -9.615 10.952 1.00 0.00 H new ATOM 452 N PHE A 485 11.036 -6.834 2.309 1.00 0.00 N ATOM 453 CA PHE A 485 10.181 -7.212 1.190 1.00 0.00 C ATOM 454 C PHE A 485 10.515 -6.390 -0.052 1.00 0.00 C ATOM 455 O PHE A 485 9.622 -5.939 -0.768 1.00 0.00 O ATOM 456 CB PHE A 485 8.708 -7.022 1.560 1.00 0.00 C ATOM 457 CG PHE A 485 8.354 -7.573 2.911 1.00 0.00 C ATOM 458 CD1 PHE A 485 8.600 -6.838 4.060 1.00 0.00 C ATOM 459 CD2 PHE A 485 7.775 -8.825 3.034 1.00 0.00 C ATOM 460 CE1 PHE A 485 8.275 -7.341 5.305 1.00 0.00 C ATOM 461 CE2 PHE A 485 7.447 -9.334 4.276 1.00 0.00 C ATOM 462 CZ PHE A 485 7.699 -8.592 5.413 1.00 0.00 C ATOM 0 H PHE A 485 11.015 -5.840 2.539 1.00 0.00 H new ATOM 0 HA PHE A 485 10.360 -8.264 0.967 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.470 -5.959 1.536 1.00 0.00 H new ATOM 0 HB3 PHE A 485 8.087 -7.505 0.805 1.00 0.00 H new ATOM 0 HD1 PHE A 485 9.051 -5.860 3.981 1.00 0.00 H new ATOM 0 HD2 PHE A 485 7.577 -9.411 2.148 1.00 0.00 H new ATOM 0 HE1 PHE A 485 8.471 -6.757 6.192 1.00 0.00 H new ATOM 0 HE2 PHE A 485 6.994 -10.311 4.357 1.00 0.00 H new ATOM 0 HZ PHE A 485 7.446 -8.989 6.385 1.00 0.00 H new ATOM 472 N GLU A 486 11.807 -6.201 -0.299 1.00 0.00 N ATOM 473 CA GLU A 486 12.259 -5.433 -1.453 1.00 0.00 C ATOM 474 C GLU A 486 11.681 -6.002 -2.746 1.00 0.00 C ATOM 475 O GLU A 486 11.677 -7.214 -2.956 1.00 0.00 O ATOM 476 CB GLU A 486 13.788 -5.429 -1.524 1.00 0.00 C ATOM 477 CG GLU A 486 14.337 -4.758 -2.772 1.00 0.00 C ATOM 478 CD GLU A 486 14.519 -5.727 -3.924 1.00 0.00 C ATOM 479 OE1 GLU A 486 15.004 -6.852 -3.681 1.00 0.00 O ATOM 480 OE2 GLU A 486 14.176 -5.361 -5.067 1.00 0.00 O ATOM 0 H GLU A 486 12.559 -6.569 0.284 1.00 0.00 H new ATOM 0 HA GLU A 486 11.905 -4.409 -1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 486 14.183 -4.920 -0.645 1.00 0.00 H new ATOM 0 HB3 GLU A 486 14.148 -6.457 -1.486 1.00 0.00 H new ATOM 0 HG2 GLU A 486 13.661 -3.959 -3.078 1.00 0.00 H new ATOM 0 HG3 GLU A 486 15.295 -4.293 -2.538 1.00 0.00 H new ATOM 487 N GLY A 487 11.192 -5.116 -3.609 1.00 0.00 N ATOM 488 CA GLY A 487 10.617 -5.548 -4.869 1.00 0.00 C ATOM 489 C GLY A 487 9.266 -6.212 -4.693 1.00 0.00 C ATOM 490 O GLY A 487 8.732 -6.809 -5.628 1.00 0.00 O ATOM 0 H GLY A 487 11.184 -4.107 -3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 487 10.512 -4.688 -5.531 1.00 0.00 H new ATOM 0 HA3 GLY A 487 11.300 -6.244 -5.357 1.00 0.00 H new ATOM 494 N ASP A 488 8.711 -6.111 -3.490 1.00 0.00 N ATOM 495 CA ASP A 488 7.414 -6.707 -3.193 1.00 0.00 C ATOM 496 C ASP A 488 6.297 -5.678 -3.340 1.00 0.00 C ATOM 497 O ASP A 488 6.333 -4.614 -2.722 1.00 0.00 O ATOM 498 CB ASP A 488 7.407 -7.288 -1.778 1.00 0.00 C ATOM 499 CG ASP A 488 6.324 -8.331 -1.586 1.00 0.00 C ATOM 500 OD1 ASP A 488 5.336 -8.308 -2.350 1.00 0.00 O ATOM 501 OD2 ASP A 488 6.464 -9.170 -0.671 1.00 0.00 O ATOM 0 H ASP A 488 9.140 -5.622 -2.704 1.00 0.00 H new ATOM 0 HA ASP A 488 7.239 -7.511 -3.908 1.00 0.00 H new ATOM 0 HB2 ASP A 488 8.379 -7.734 -1.567 1.00 0.00 H new ATOM 0 HB3 ASP A 488 7.263 -6.482 -1.058 1.00 0.00 H new ATOM 506 N THR A 489 5.304 -6.003 -4.162 1.00 0.00 N ATOM 507 CA THR A 489 4.178 -5.107 -4.392 1.00 0.00 C ATOM 508 C THR A 489 2.902 -5.655 -3.763 1.00 0.00 C ATOM 509 O THR A 489 2.767 -6.861 -3.558 1.00 0.00 O ATOM 510 CB THR A 489 3.938 -4.880 -5.896 1.00 0.00 C ATOM 511 OG1 THR A 489 3.349 -6.047 -6.480 1.00 0.00 O ATOM 512 CG2 THR A 489 5.242 -4.553 -6.609 1.00 0.00 C ATOM 0 H THR A 489 5.257 -6.881 -4.680 1.00 0.00 H new ATOM 0 HA THR A 489 4.431 -4.156 -3.924 1.00 0.00 H new ATOM 0 HB THR A 489 3.259 -4.035 -6.009 1.00 0.00 H new ATOM 0 HG1 THR A 489 3.198 -5.894 -7.436 1.00 0.00 H new ATOM 0 HG21 THR A 489 5.047 -4.397 -7.670 1.00 0.00 H new ATOM 0 HG22 THR A 489 5.673 -3.647 -6.182 1.00 0.00 H new ATOM 0 HG23 THR A 489 5.941 -5.380 -6.486 1.00 0.00 H new ATOM 520 N GLY A 490 1.966 -4.761 -3.458 1.00 0.00 N ATOM 521 CA GLY A 490 0.713 -5.175 -2.855 1.00 0.00 C ATOM 522 C GLY A 490 -0.242 -4.016 -2.648 1.00 0.00 C ATOM 523 O GLY A 490 0.112 -2.860 -2.886 1.00 0.00 O ATOM 0 H GLY A 490 2.054 -3.757 -3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 490 0.238 -5.924 -3.489 1.00 0.00 H new ATOM 0 HA3 GLY A 490 0.915 -5.651 -1.896 1.00 0.00 H new ATOM 527 N LEU A 491 -1.455 -4.323 -2.203 1.00 0.00 N ATOM 528 CA LEU A 491 -2.465 -3.298 -1.965 1.00 0.00 C ATOM 529 C LEU A 491 -2.463 -2.860 -0.504 1.00 0.00 C ATOM 530 O LEU A 491 -2.085 -3.627 0.383 1.00 0.00 O ATOM 531 CB LEU A 491 -3.851 -3.819 -2.351 1.00 0.00 C ATOM 532 CG LEU A 491 -4.273 -3.591 -3.803 1.00 0.00 C ATOM 533 CD1 LEU A 491 -5.591 -4.292 -4.092 1.00 0.00 C ATOM 534 CD2 LEU A 491 -4.382 -2.103 -4.099 1.00 0.00 C ATOM 0 H LEU A 491 -1.763 -5.274 -2.000 1.00 0.00 H new ATOM 0 HA LEU A 491 -2.223 -2.434 -2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -3.884 -4.889 -2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -4.588 -3.348 -1.701 1.00 0.00 H new ATOM 0 HG LEU A 491 -3.509 -4.016 -4.454 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -5.875 -4.119 -5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -5.479 -5.363 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -6.365 -3.898 -3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -4.683 -1.960 -5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -5.125 -1.654 -3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -3.416 -1.627 -3.933 1.00 0.00 H new ATOM 546 N ILE A 492 -2.889 -1.625 -0.261 1.00 0.00 N ATOM 547 CA ILE A 492 -2.939 -1.088 1.093 1.00 0.00 C ATOM 548 C ILE A 492 -4.220 -1.510 1.805 1.00 0.00 C ATOM 549 O ILE A 492 -5.323 -1.182 1.369 1.00 0.00 O ATOM 550 CB ILE A 492 -2.849 0.450 1.092 1.00 0.00 C ATOM 551 CG1 ILE A 492 -1.686 0.914 0.213 1.00 0.00 C ATOM 552 CG2 ILE A 492 -2.689 0.972 2.512 1.00 0.00 C ATOM 553 CD1 ILE A 492 -1.832 2.335 -0.283 1.00 0.00 C ATOM 0 H ILE A 492 -3.204 -0.978 -0.984 1.00 0.00 H new ATOM 0 HA ILE A 492 -2.079 -1.494 1.626 1.00 0.00 H new ATOM 0 HB ILE A 492 -3.774 0.853 0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 492 -0.758 0.829 0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 492 -1.600 0.246 -0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 492 -2.627 2.060 2.495 1.00 0.00 H new ATOM 0 HG22 ILE A 492 -3.547 0.667 3.111 1.00 0.00 H new ATOM 0 HG23 ILE A 492 -1.778 0.563 2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 492 -0.972 2.595 -0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 492 -2.743 2.422 -0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 492 -1.887 3.014 0.568 1.00 0.00 H new ATOM 565 N VAL A 493 -4.065 -2.240 2.906 1.00 0.00 N ATOM 566 CA VAL A 493 -5.209 -2.705 3.681 1.00 0.00 C ATOM 567 C VAL A 493 -5.278 -2.004 5.033 1.00 0.00 C ATOM 568 O VAL A 493 -6.361 -1.786 5.576 1.00 0.00 O ATOM 569 CB VAL A 493 -5.151 -4.228 3.907 1.00 0.00 C ATOM 570 CG1 VAL A 493 -5.634 -4.970 2.670 1.00 0.00 C ATOM 571 CG2 VAL A 493 -3.741 -4.658 4.281 1.00 0.00 C ATOM 0 H VAL A 493 -3.159 -2.522 3.281 1.00 0.00 H new ATOM 0 HA VAL A 493 -6.102 -2.464 3.104 1.00 0.00 H new ATOM 0 HB VAL A 493 -5.814 -4.481 4.735 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.586 -6.044 2.848 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -6.663 -4.684 2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -4.999 -4.714 1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -3.719 -5.737 4.437 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -3.055 -4.393 3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -3.438 -4.153 5.198 1.00 0.00 H new ATOM 581 N ARG A 494 -4.115 -1.653 5.572 1.00 0.00 N ATOM 582 CA ARG A 494 -4.043 -0.977 6.861 1.00 0.00 C ATOM 583 C ARG A 494 -2.877 0.008 6.895 1.00 0.00 C ATOM 584 O ARG A 494 -1.801 -0.271 6.367 1.00 0.00 O ATOM 585 CB ARG A 494 -3.894 -1.999 7.990 1.00 0.00 C ATOM 586 CG ARG A 494 -4.420 -1.509 9.329 1.00 0.00 C ATOM 587 CD ARG A 494 -4.905 -2.662 10.193 1.00 0.00 C ATOM 588 NE ARG A 494 -5.783 -2.209 11.269 1.00 0.00 N ATOM 589 CZ ARG A 494 -6.364 -3.028 12.138 1.00 0.00 C ATOM 590 NH1 ARG A 494 -6.162 -4.336 12.058 1.00 0.00 N ATOM 591 NH2 ARG A 494 -7.149 -2.540 13.089 1.00 0.00 N ATOM 0 H ARG A 494 -3.209 -1.826 5.135 1.00 0.00 H new ATOM 0 HA ARG A 494 -4.970 -0.421 7.003 1.00 0.00 H new ATOM 0 HB2 ARG A 494 -4.422 -2.912 7.714 1.00 0.00 H new ATOM 0 HB3 ARG A 494 -2.841 -2.259 8.096 1.00 0.00 H new ATOM 0 HG2 ARG A 494 -3.634 -0.966 9.853 1.00 0.00 H new ATOM 0 HG3 ARG A 494 -5.237 -0.807 9.165 1.00 0.00 H new ATOM 0 HD2 ARG A 494 -5.436 -3.382 9.571 1.00 0.00 H new ATOM 0 HD3 ARG A 494 -4.047 -3.181 10.620 1.00 0.00 H new ATOM 0 HE ARG A 494 -5.960 -1.208 11.358 1.00 0.00 H new ATOM 0 HH11 ARG A 494 -5.559 -4.715 11.328 1.00 0.00 H new ATOM 0 HH12 ARG A 494 -6.609 -4.963 12.727 1.00 0.00 H new ATOM 0 HH21 ARG A 494 -7.307 -1.534 13.154 1.00 0.00 H new ATOM 0 HH22 ARG A 494 -7.595 -3.170 13.756 1.00 0.00 H new ATOM 605 N VAL A 495 -3.100 1.160 7.519 1.00 0.00 N ATOM 606 CA VAL A 495 -2.069 2.185 7.623 1.00 0.00 C ATOM 607 C VAL A 495 -1.904 2.656 9.064 1.00 0.00 C ATOM 608 O VAL A 495 -2.878 3.016 9.724 1.00 0.00 O ATOM 609 CB VAL A 495 -2.393 3.399 6.732 1.00 0.00 C ATOM 610 CG1 VAL A 495 -1.201 4.340 6.656 1.00 0.00 C ATOM 611 CG2 VAL A 495 -2.812 2.943 5.342 1.00 0.00 C ATOM 0 H VAL A 495 -3.986 1.407 7.960 1.00 0.00 H new ATOM 0 HA VAL A 495 -1.138 1.732 7.283 1.00 0.00 H new ATOM 0 HB VAL A 495 -3.226 3.942 7.178 1.00 0.00 H new ATOM 0 HG11 VAL A 495 -1.449 5.191 6.022 1.00 0.00 H new ATOM 0 HG12 VAL A 495 -0.952 4.693 7.657 1.00 0.00 H new ATOM 0 HG13 VAL A 495 -0.346 3.811 6.235 1.00 0.00 H new ATOM 0 HG21 VAL A 495 -3.037 3.814 4.726 1.00 0.00 H new ATOM 0 HG22 VAL A 495 -2.001 2.375 4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 495 -3.698 2.313 5.418 1.00 0.00 H new ATOM 621 N GLU A 496 -0.665 2.650 9.544 1.00 0.00 N ATOM 622 CA GLU A 496 -0.373 3.076 10.908 1.00 0.00 C ATOM 623 C GLU A 496 0.676 4.184 10.918 1.00 0.00 C ATOM 624 O GLU A 496 1.553 4.231 10.056 1.00 0.00 O ATOM 625 CB GLU A 496 0.114 1.890 11.743 1.00 0.00 C ATOM 626 CG GLU A 496 -0.771 0.660 11.628 1.00 0.00 C ATOM 627 CD GLU A 496 -0.760 -0.186 12.887 1.00 0.00 C ATOM 628 OE1 GLU A 496 -1.281 0.282 13.921 1.00 0.00 O ATOM 629 OE2 GLU A 496 -0.231 -1.316 12.837 1.00 0.00 O ATOM 0 H GLU A 496 0.152 2.355 9.010 1.00 0.00 H new ATOM 0 HA GLU A 496 -1.293 3.465 11.345 1.00 0.00 H new ATOM 0 HB2 GLU A 496 1.126 1.629 11.433 1.00 0.00 H new ATOM 0 HB3 GLU A 496 0.169 2.191 12.789 1.00 0.00 H new ATOM 0 HG2 GLU A 496 -1.793 0.971 11.413 1.00 0.00 H new ATOM 0 HG3 GLU A 496 -0.438 0.055 10.785 1.00 0.00 H new ATOM 636 N GLU A 497 0.577 5.075 11.901 1.00 0.00 N ATOM 637 CA GLU A 497 1.516 6.184 12.023 1.00 0.00 C ATOM 638 C GLU A 497 2.957 5.681 12.001 1.00 0.00 C ATOM 639 O GLU A 497 3.877 6.418 11.647 1.00 0.00 O ATOM 640 CB GLU A 497 1.255 6.962 13.314 1.00 0.00 C ATOM 641 CG GLU A 497 1.871 8.351 13.322 1.00 0.00 C ATOM 642 CD GLU A 497 1.202 9.281 14.316 1.00 0.00 C ATOM 643 OE1 GLU A 497 -0.040 9.226 14.436 1.00 0.00 O ATOM 644 OE2 GLU A 497 1.920 10.062 14.973 1.00 0.00 O ATOM 0 H GLU A 497 -0.143 5.050 12.623 1.00 0.00 H new ATOM 0 HA GLU A 497 1.368 6.848 11.171 1.00 0.00 H new ATOM 0 HB2 GLU A 497 0.179 7.050 13.464 1.00 0.00 H new ATOM 0 HB3 GLU A 497 1.649 6.394 14.157 1.00 0.00 H new ATOM 0 HG2 GLU A 497 2.932 8.272 13.561 1.00 0.00 H new ATOM 0 HG3 GLU A 497 1.800 8.781 12.323 1.00 0.00 H new ATOM 651 N ASN A 498 3.144 4.423 12.384 1.00 0.00 N ATOM 652 CA ASN A 498 4.473 3.822 12.411 1.00 0.00 C ATOM 653 C ASN A 498 4.821 3.211 11.056 1.00 0.00 C ATOM 654 O ASN A 498 5.780 3.625 10.405 1.00 0.00 O ATOM 655 CB ASN A 498 4.549 2.750 13.500 1.00 0.00 C ATOM 656 CG ASN A 498 4.747 3.343 14.882 1.00 0.00 C ATOM 657 OD1 ASN A 498 5.871 3.637 15.288 1.00 0.00 O ATOM 658 ND2 ASN A 498 3.651 3.521 15.611 1.00 0.00 N ATOM 0 H ASN A 498 2.393 3.800 12.680 1.00 0.00 H new ATOM 0 HA ASN A 498 5.195 4.608 12.633 1.00 0.00 H new ATOM 0 HB2 ASN A 498 3.633 2.159 13.489 1.00 0.00 H new ATOM 0 HB3 ASN A 498 5.371 2.069 13.279 1.00 0.00 H new ATOM 0 HD21 ASN A 498 3.721 3.916 16.549 1.00 0.00 H new ATOM 0 HD22 ASN A 498 2.740 3.262 15.233 1.00 0.00 H new ATOM 665 N PHE A 499 4.034 2.226 10.638 1.00 0.00 N ATOM 666 CA PHE A 499 4.258 1.558 9.361 1.00 0.00 C ATOM 667 C PHE A 499 2.935 1.274 8.656 1.00 0.00 C ATOM 668 O PHE A 499 1.862 1.414 9.244 1.00 0.00 O ATOM 669 CB PHE A 499 5.027 0.252 9.573 1.00 0.00 C ATOM 670 CG PHE A 499 4.756 -0.394 10.901 1.00 0.00 C ATOM 671 CD1 PHE A 499 3.613 -1.153 11.097 1.00 0.00 C ATOM 672 CD2 PHE A 499 5.645 -0.244 11.953 1.00 0.00 C ATOM 673 CE1 PHE A 499 3.362 -1.748 12.319 1.00 0.00 C ATOM 674 CE2 PHE A 499 5.399 -0.837 13.177 1.00 0.00 C ATOM 675 CZ PHE A 499 4.256 -1.591 13.360 1.00 0.00 C ATOM 0 H PHE A 499 3.235 1.872 11.165 1.00 0.00 H new ATOM 0 HA PHE A 499 4.850 2.222 8.731 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.767 -0.447 8.778 1.00 0.00 H new ATOM 0 HB3 PHE A 499 6.095 0.450 9.486 1.00 0.00 H new ATOM 0 HD1 PHE A 499 2.911 -1.281 10.286 1.00 0.00 H new ATOM 0 HD2 PHE A 499 6.541 0.343 11.815 1.00 0.00 H new ATOM 0 HE1 PHE A 499 2.467 -2.336 12.460 1.00 0.00 H new ATOM 0 HE2 PHE A 499 6.099 -0.711 13.989 1.00 0.00 H new ATOM 0 HZ PHE A 499 4.062 -2.057 14.315 1.00 0.00 H new ATOM 685 N VAL A 500 3.019 0.874 7.391 1.00 0.00 N ATOM 686 CA VAL A 500 1.829 0.569 6.605 1.00 0.00 C ATOM 687 C VAL A 500 1.773 -0.911 6.244 1.00 0.00 C ATOM 688 O VAL A 500 2.772 -1.496 5.825 1.00 0.00 O ATOM 689 CB VAL A 500 1.783 1.404 5.311 1.00 0.00 C ATOM 690 CG1 VAL A 500 0.536 1.072 4.506 1.00 0.00 C ATOM 691 CG2 VAL A 500 1.839 2.890 5.634 1.00 0.00 C ATOM 0 H VAL A 500 3.899 0.754 6.889 1.00 0.00 H new ATOM 0 HA VAL A 500 0.968 0.822 7.223 1.00 0.00 H new ATOM 0 HB VAL A 500 2.655 1.154 4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 500 0.520 1.671 3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 500 0.543 0.014 4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -0.350 1.293 5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 500 1.806 3.465 4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 500 0.988 3.159 6.259 1.00 0.00 H new ATOM 0 HG23 VAL A 500 2.764 3.112 6.166 1.00 0.00 H new ATOM 701 N ILE A 501 0.599 -1.510 6.409 1.00 0.00 N ATOM 702 CA ILE A 501 0.413 -2.922 6.099 1.00 0.00 C ATOM 703 C ILE A 501 -0.300 -3.102 4.763 1.00 0.00 C ATOM 704 O ILE A 501 -1.435 -2.657 4.588 1.00 0.00 O ATOM 705 CB ILE A 501 -0.393 -3.638 7.199 1.00 0.00 C ATOM 706 CG1 ILE A 501 0.129 -3.245 8.582 1.00 0.00 C ATOM 707 CG2 ILE A 501 -0.323 -5.146 7.010 1.00 0.00 C ATOM 708 CD1 ILE A 501 1.565 -3.653 8.825 1.00 0.00 C ATOM 0 H ILE A 501 -0.237 -1.040 6.755 1.00 0.00 H new ATOM 0 HA ILE A 501 1.407 -3.366 6.041 1.00 0.00 H new ATOM 0 HB ILE A 501 -1.436 -3.330 7.124 1.00 0.00 H new ATOM 0 HG12 ILE A 501 0.042 -2.165 8.701 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -0.504 -3.702 9.343 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -0.897 -5.638 7.795 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -0.737 -5.410 6.037 1.00 0.00 H new ATOM 0 HG23 ILE A 501 0.716 -5.471 7.062 1.00 0.00 H new ATOM 0 HD11 ILE A 501 1.867 -3.342 9.825 1.00 0.00 H new ATOM 0 HD12 ILE A 501 1.655 -4.736 8.739 1.00 0.00 H new ATOM 0 HD13 ILE A 501 2.209 -3.175 8.086 1.00 0.00 H new ATOM 720 N LEU A 502 0.372 -3.759 3.824 1.00 0.00 N ATOM 721 CA LEU A 502 -0.198 -4.001 2.503 1.00 0.00 C ATOM 722 C LEU A 502 -0.395 -5.493 2.260 1.00 0.00 C ATOM 723 O LEU A 502 0.452 -6.310 2.623 1.00 0.00 O ATOM 724 CB LEU A 502 0.707 -3.411 1.420 1.00 0.00 C ATOM 725 CG LEU A 502 2.003 -4.172 1.141 1.00 0.00 C ATOM 726 CD1 LEU A 502 2.578 -3.771 -0.209 1.00 0.00 C ATOM 727 CD2 LEU A 502 3.016 -3.924 2.249 1.00 0.00 C ATOM 0 H LEU A 502 1.312 -4.134 3.953 1.00 0.00 H new ATOM 0 HA LEU A 502 -1.172 -3.513 2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 502 0.138 -3.350 0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 502 0.963 -2.390 1.704 1.00 0.00 H new ATOM 0 HG LEU A 502 1.777 -5.238 1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 502 3.500 -4.323 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 502 1.858 -4.001 -0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 502 2.789 -2.702 -0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 502 3.932 -4.474 2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 502 3.237 -2.858 2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 502 2.605 -4.262 3.200 1.00 0.00 H new ATOM 739 N PHE A 503 -1.518 -5.844 1.641 1.00 0.00 N ATOM 740 CA PHE A 503 -1.826 -7.238 1.347 1.00 0.00 C ATOM 741 C PHE A 503 -1.076 -7.711 0.105 1.00 0.00 C ATOM 742 O PHE A 503 -1.167 -7.099 -0.959 1.00 0.00 O ATOM 743 CB PHE A 503 -3.332 -7.419 1.147 1.00 0.00 C ATOM 744 CG PHE A 503 -3.746 -8.852 0.971 1.00 0.00 C ATOM 745 CD1 PHE A 503 -3.973 -9.661 2.073 1.00 0.00 C ATOM 746 CD2 PHE A 503 -3.909 -9.390 -0.295 1.00 0.00 C ATOM 747 CE1 PHE A 503 -4.354 -10.980 1.914 1.00 0.00 C ATOM 748 CE2 PHE A 503 -4.289 -10.708 -0.460 1.00 0.00 C ATOM 749 CZ PHE A 503 -4.513 -11.504 0.646 1.00 0.00 C ATOM 0 H PHE A 503 -2.230 -5.181 1.333 1.00 0.00 H new ATOM 0 HA PHE A 503 -1.504 -7.841 2.196 1.00 0.00 H new ATOM 0 HB2 PHE A 503 -3.857 -7.000 2.005 1.00 0.00 H new ATOM 0 HB3 PHE A 503 -3.645 -6.849 0.273 1.00 0.00 H new ATOM 0 HD1 PHE A 503 -3.851 -9.256 3.067 1.00 0.00 H new ATOM 0 HD2 PHE A 503 -3.737 -8.772 -1.164 1.00 0.00 H new ATOM 0 HE1 PHE A 503 -4.527 -11.601 2.781 1.00 0.00 H new ATOM 0 HE2 PHE A 503 -4.411 -11.115 -1.453 1.00 0.00 H new ATOM 0 HZ PHE A 503 -4.812 -12.534 0.520 1.00 0.00 H new ATOM 759 N SER A 504 -0.335 -8.805 0.250 1.00 0.00 N ATOM 760 CA SER A 504 0.435 -9.359 -0.858 1.00 0.00 C ATOM 761 C SER A 504 -0.424 -10.296 -1.702 1.00 0.00 C ATOM 762 O SER A 504 -1.383 -10.889 -1.208 1.00 0.00 O ATOM 763 CB SER A 504 1.661 -10.108 -0.331 1.00 0.00 C ATOM 764 OG SER A 504 2.622 -10.296 -1.355 1.00 0.00 O ATOM 0 H SER A 504 -0.251 -9.325 1.123 1.00 0.00 H new ATOM 0 HA SER A 504 0.766 -8.533 -1.487 1.00 0.00 H new ATOM 0 HB2 SER A 504 2.106 -9.549 0.492 1.00 0.00 H new ATOM 0 HB3 SER A 504 1.356 -11.075 0.068 1.00 0.00 H new ATOM 0 HG SER A 504 3.396 -10.775 -0.993 1.00 0.00 H new ATOM 770 N ASP A 505 -0.072 -10.423 -2.977 1.00 0.00 N ATOM 771 CA ASP A 505 -0.810 -11.288 -3.890 1.00 0.00 C ATOM 772 C ASP A 505 -0.114 -12.637 -4.041 1.00 0.00 C ATOM 773 O ASP A 505 -0.764 -13.665 -4.234 1.00 0.00 O ATOM 774 CB ASP A 505 -0.952 -10.618 -5.258 1.00 0.00 C ATOM 775 CG ASP A 505 -1.519 -11.556 -6.305 1.00 0.00 C ATOM 776 OD1 ASP A 505 -0.750 -12.378 -6.844 1.00 0.00 O ATOM 777 OD2 ASP A 505 -2.733 -11.466 -6.588 1.00 0.00 O ATOM 0 H ASP A 505 0.719 -9.938 -3.401 1.00 0.00 H new ATOM 0 HA ASP A 505 -1.802 -11.456 -3.471 1.00 0.00 H new ATOM 0 HB2 ASP A 505 -1.599 -9.746 -5.167 1.00 0.00 H new ATOM 0 HB3 ASP A 505 0.023 -10.258 -5.586 1.00 0.00 H new ATOM 782 N LEU A 506 1.212 -12.627 -3.953 1.00 0.00 N ATOM 783 CA LEU A 506 1.997 -13.849 -4.081 1.00 0.00 C ATOM 784 C LEU A 506 1.936 -14.672 -2.798 1.00 0.00 C ATOM 785 O LEU A 506 1.552 -15.842 -2.815 1.00 0.00 O ATOM 786 CB LEU A 506 3.451 -13.512 -4.416 1.00 0.00 C ATOM 787 CG LEU A 506 3.727 -13.093 -5.861 1.00 0.00 C ATOM 788 CD1 LEU A 506 5.196 -12.744 -6.044 1.00 0.00 C ATOM 789 CD2 LEU A 506 3.315 -14.196 -6.824 1.00 0.00 C ATOM 0 H LEU A 506 1.766 -11.785 -3.793 1.00 0.00 H new ATOM 0 HA LEU A 506 1.572 -14.441 -4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 506 3.778 -12.708 -3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 506 4.067 -14.382 -4.187 1.00 0.00 H new ATOM 0 HG LEU A 506 3.134 -12.206 -6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 506 5.374 -12.448 -7.078 1.00 0.00 H new ATOM 0 HD12 LEU A 506 5.460 -11.920 -5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 506 5.809 -13.613 -5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 506 3.519 -13.880 -7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 506 3.881 -15.101 -6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 506 2.250 -14.398 -6.712 1.00 0.00 H new ATOM 801 N THR A 507 2.316 -14.052 -1.685 1.00 0.00 N ATOM 802 CA THR A 507 2.304 -14.726 -0.393 1.00 0.00 C ATOM 803 C THR A 507 0.902 -14.742 0.206 1.00 0.00 C ATOM 804 O THR A 507 0.657 -15.397 1.218 1.00 0.00 O ATOM 805 CB THR A 507 3.267 -14.051 0.602 1.00 0.00 C ATOM 806 OG1 THR A 507 2.871 -12.693 0.822 1.00 0.00 O ATOM 807 CG2 THR A 507 4.696 -14.090 0.081 1.00 0.00 C ATOM 0 H THR A 507 2.636 -13.084 -1.653 1.00 0.00 H new ATOM 0 HA THR A 507 2.633 -15.750 -0.568 1.00 0.00 H new ATOM 0 HB THR A 507 3.225 -14.598 1.544 1.00 0.00 H new ATOM 0 HG1 THR A 507 3.667 -12.124 0.869 1.00 0.00 H new ATOM 0 HG21 THR A 507 5.359 -13.608 0.800 1.00 0.00 H new ATOM 0 HG22 THR A 507 5.004 -15.126 -0.058 1.00 0.00 H new ATOM 0 HG23 THR A 507 4.750 -13.564 -0.872 1.00 0.00 H new ATOM 815 N MET A 508 -0.015 -14.016 -0.426 1.00 0.00 N ATOM 816 CA MET A 508 -1.393 -13.949 0.044 1.00 0.00 C ATOM 817 C MET A 508 -1.444 -13.635 1.536 1.00 0.00 C ATOM 818 O MET A 508 -2.357 -14.066 2.241 1.00 0.00 O ATOM 819 CB MET A 508 -2.115 -15.269 -0.236 1.00 0.00 C ATOM 820 CG MET A 508 -2.148 -15.643 -1.709 1.00 0.00 C ATOM 821 SD MET A 508 -3.231 -17.044 -2.046 1.00 0.00 S ATOM 822 CE MET A 508 -2.363 -17.825 -3.404 1.00 0.00 C ATOM 0 H MET A 508 0.172 -13.466 -1.265 1.00 0.00 H new ATOM 0 HA MET A 508 -1.896 -13.147 -0.496 1.00 0.00 H new ATOM 0 HB2 MET A 508 -1.625 -16.067 0.322 1.00 0.00 H new ATOM 0 HB3 MET A 508 -3.137 -15.201 0.136 1.00 0.00 H new ATOM 0 HG2 MET A 508 -2.481 -14.783 -2.291 1.00 0.00 H new ATOM 0 HG3 MET A 508 -1.138 -15.881 -2.042 1.00 0.00 H new ATOM 0 HE1 MET A 508 -2.911 -18.711 -3.725 1.00 0.00 H new ATOM 0 HE2 MET A 508 -2.284 -17.125 -4.236 1.00 0.00 H new ATOM 0 HE3 MET A 508 -1.364 -18.115 -3.078 1.00 0.00 H new ATOM 832 N HIS A 509 -0.457 -12.882 2.012 1.00 0.00 N ATOM 833 CA HIS A 509 -0.390 -12.510 3.420 1.00 0.00 C ATOM 834 C HIS A 509 -0.176 -11.008 3.576 1.00 0.00 C ATOM 835 O HIS A 509 0.054 -10.300 2.596 1.00 0.00 O ATOM 836 CB HIS A 509 0.738 -13.272 4.117 1.00 0.00 C ATOM 837 CG HIS A 509 0.537 -14.757 4.133 1.00 0.00 C ATOM 838 ND1 HIS A 509 -0.675 -15.350 4.416 1.00 0.00 N ATOM 839 CD2 HIS A 509 1.403 -15.769 3.895 1.00 0.00 C ATOM 840 CE1 HIS A 509 -0.545 -16.663 4.354 1.00 0.00 C ATOM 841 NE2 HIS A 509 0.706 -16.944 4.039 1.00 0.00 N ATOM 0 H HIS A 509 0.307 -12.518 1.443 1.00 0.00 H new ATOM 0 HA HIS A 509 -1.340 -12.774 3.885 1.00 0.00 H new ATOM 0 HB2 HIS A 509 1.680 -13.046 3.618 1.00 0.00 H new ATOM 0 HB3 HIS A 509 0.827 -12.915 5.143 1.00 0.00 H new ATOM 0 HD2 HIS A 509 2.448 -15.671 3.639 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -1.329 -17.384 4.531 1.00 0.00 H new ATOM 0 HE2 HIS A 509 1.092 -17.881 3.922 1.00 0.00 H new ATOM 849 N GLU A 510 -0.255 -10.529 4.814 1.00 0.00 N ATOM 850 CA GLU A 510 -0.072 -9.110 5.096 1.00 0.00 C ATOM 851 C GLU A 510 1.393 -8.798 5.388 1.00 0.00 C ATOM 852 O GLU A 510 2.001 -9.393 6.279 1.00 0.00 O ATOM 853 CB GLU A 510 -0.941 -8.687 6.282 1.00 0.00 C ATOM 854 CG GLU A 510 -2.398 -8.458 5.918 1.00 0.00 C ATOM 855 CD GLU A 510 -3.237 -8.031 7.107 1.00 0.00 C ATOM 856 OE1 GLU A 510 -2.842 -7.068 7.797 1.00 0.00 O ATOM 857 OE2 GLU A 510 -4.288 -8.661 7.347 1.00 0.00 O ATOM 0 H GLU A 510 -0.444 -11.102 5.636 1.00 0.00 H new ATOM 0 HA GLU A 510 -0.376 -8.548 4.213 1.00 0.00 H new ATOM 0 HB2 GLU A 510 -0.885 -9.454 7.055 1.00 0.00 H new ATOM 0 HB3 GLU A 510 -0.534 -7.771 6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 510 -2.459 -7.695 5.142 1.00 0.00 H new ATOM 0 HG3 GLU A 510 -2.812 -9.374 5.497 1.00 0.00 H new ATOM 864 N LEU A 511 1.954 -7.861 4.631 1.00 0.00 N ATOM 865 CA LEU A 511 3.349 -7.469 4.808 1.00 0.00 C ATOM 866 C LEU A 511 3.451 -6.127 5.525 1.00 0.00 C ATOM 867 O LEU A 511 2.750 -5.174 5.185 1.00 0.00 O ATOM 868 CB LEU A 511 4.052 -7.390 3.451 1.00 0.00 C ATOM 869 CG LEU A 511 3.850 -8.585 2.520 1.00 0.00 C ATOM 870 CD1 LEU A 511 4.631 -8.394 1.229 1.00 0.00 C ATOM 871 CD2 LEU A 511 4.265 -9.876 3.210 1.00 0.00 C ATOM 0 H LEU A 511 1.465 -7.359 3.890 1.00 0.00 H new ATOM 0 HA LEU A 511 3.839 -8.225 5.421 1.00 0.00 H new ATOM 0 HB2 LEU A 511 3.707 -6.493 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 511 5.121 -7.267 3.625 1.00 0.00 H new ATOM 0 HG LEU A 511 2.790 -8.653 2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 511 4.475 -9.255 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 511 4.286 -7.491 0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 511 5.693 -8.299 1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 511 4.114 -10.716 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 511 5.318 -9.818 3.487 1.00 0.00 H new ATOM 0 HD23 LEU A 511 3.661 -10.020 4.106 1.00 0.00 H new ATOM 883 N LYS A 512 4.330 -6.059 6.519 1.00 0.00 N ATOM 884 CA LYS A 512 4.527 -4.833 7.284 1.00 0.00 C ATOM 885 C LYS A 512 5.805 -4.122 6.851 1.00 0.00 C ATOM 886 O LYS A 512 6.907 -4.640 7.032 1.00 0.00 O ATOM 887 CB LYS A 512 4.587 -5.146 8.781 1.00 0.00 C ATOM 888 CG LYS A 512 5.050 -3.974 9.629 1.00 0.00 C ATOM 889 CD LYS A 512 5.568 -4.434 10.981 1.00 0.00 C ATOM 890 CE LYS A 512 6.623 -3.482 11.526 1.00 0.00 C ATOM 891 NZ LYS A 512 7.868 -3.508 10.710 1.00 0.00 N ATOM 0 H LYS A 512 4.918 -6.839 6.814 1.00 0.00 H new ATOM 0 HA LYS A 512 3.681 -4.173 7.091 1.00 0.00 H new ATOM 0 HB2 LYS A 512 3.599 -5.460 9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 512 5.261 -5.988 8.941 1.00 0.00 H new ATOM 0 HG2 LYS A 512 5.835 -3.431 9.103 1.00 0.00 H new ATOM 0 HG3 LYS A 512 4.223 -3.279 9.773 1.00 0.00 H new ATOM 0 HD2 LYS A 512 4.739 -4.502 11.686 1.00 0.00 H new ATOM 0 HD3 LYS A 512 5.991 -5.434 10.889 1.00 0.00 H new ATOM 0 HE2 LYS A 512 6.222 -2.468 11.545 1.00 0.00 H new ATOM 0 HE3 LYS A 512 6.858 -3.751 12.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 512 8.674 -3.212 11.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 512 8.032 -4.473 10.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 512 7.769 -2.857 9.905 1.00 0.00 H new ATOM 905 N VAL A 513 5.650 -2.932 6.279 1.00 0.00 N ATOM 906 CA VAL A 513 6.792 -2.149 5.823 1.00 0.00 C ATOM 907 C VAL A 513 6.599 -0.667 6.127 1.00 0.00 C ATOM 908 O VAL A 513 5.470 -0.178 6.193 1.00 0.00 O ATOM 909 CB VAL A 513 7.025 -2.325 4.310 1.00 0.00 C ATOM 910 CG1 VAL A 513 8.320 -1.648 3.887 1.00 0.00 C ATOM 911 CG2 VAL A 513 7.039 -3.800 3.942 1.00 0.00 C ATOM 0 H VAL A 513 4.745 -2.489 6.121 1.00 0.00 H new ATOM 0 HA VAL A 513 7.664 -2.517 6.363 1.00 0.00 H new ATOM 0 HB VAL A 513 6.203 -1.849 3.775 1.00 0.00 H new ATOM 0 HG11 VAL A 513 8.468 -1.783 2.816 1.00 0.00 H new ATOM 0 HG12 VAL A 513 8.265 -0.583 4.115 1.00 0.00 H new ATOM 0 HG13 VAL A 513 9.156 -2.092 4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 513 7.205 -3.906 2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 513 7.840 -4.303 4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 513 6.083 -4.250 4.208 1.00 0.00 H new ATOM 921 N LEU A 514 7.706 0.042 6.311 1.00 0.00 N ATOM 922 CA LEU A 514 7.660 1.470 6.609 1.00 0.00 C ATOM 923 C LEU A 514 7.246 2.269 5.377 1.00 0.00 C ATOM 924 O LEU A 514 7.430 1.840 4.238 1.00 0.00 O ATOM 925 CB LEU A 514 9.023 1.951 7.109 1.00 0.00 C ATOM 926 CG LEU A 514 9.422 1.494 8.512 1.00 0.00 C ATOM 927 CD1 LEU A 514 10.811 2.004 8.865 1.00 0.00 C ATOM 928 CD2 LEU A 514 8.402 1.967 9.538 1.00 0.00 C ATOM 0 H LEU A 514 8.647 -0.348 6.259 1.00 0.00 H new ATOM 0 HA LEU A 514 6.917 1.630 7.390 1.00 0.00 H new ATOM 0 HB2 LEU A 514 9.785 1.612 6.408 1.00 0.00 H new ATOM 0 HB3 LEU A 514 9.032 3.041 7.087 1.00 0.00 H new ATOM 0 HG LEU A 514 9.443 0.404 8.526 1.00 0.00 H new ATOM 0 HD11 LEU A 514 11.078 1.669 9.867 1.00 0.00 H new ATOM 0 HD12 LEU A 514 11.534 1.616 8.148 1.00 0.00 H new ATOM 0 HD13 LEU A 514 10.818 3.094 8.833 1.00 0.00 H new ATOM 0 HD21 LEU A 514 8.703 1.632 10.531 1.00 0.00 H new ATOM 0 HD22 LEU A 514 8.348 3.056 9.523 1.00 0.00 H new ATOM 0 HD23 LEU A 514 7.423 1.552 9.296 1.00 0.00 H new ATOM 940 N PRO A 515 6.676 3.461 5.609 1.00 0.00 N ATOM 941 CA PRO A 515 6.227 4.347 4.531 1.00 0.00 C ATOM 942 C PRO A 515 7.392 4.946 3.750 1.00 0.00 C ATOM 943 O PRO A 515 7.192 5.732 2.824 1.00 0.00 O ATOM 944 CB PRO A 515 5.458 5.444 5.270 1.00 0.00 C ATOM 945 CG PRO A 515 6.042 5.458 6.641 1.00 0.00 C ATOM 946 CD PRO A 515 6.426 4.036 6.941 1.00 0.00 C ATOM 0 HA PRO A 515 5.631 3.816 3.789 1.00 0.00 H new ATOM 0 HB2 PRO A 515 5.577 6.410 4.779 1.00 0.00 H new ATOM 0 HB3 PRO A 515 4.390 5.229 5.297 1.00 0.00 H new ATOM 0 HG2 PRO A 515 6.910 6.115 6.689 1.00 0.00 H new ATOM 0 HG3 PRO A 515 5.321 5.829 7.369 1.00 0.00 H new ATOM 0 HD2 PRO A 515 7.312 3.984 7.574 1.00 0.00 H new ATOM 0 HD3 PRO A 515 5.630 3.507 7.464 1.00 0.00 H new ATOM 954 N ARG A 516 8.609 4.570 4.130 1.00 0.00 N ATOM 955 CA ARG A 516 9.806 5.072 3.466 1.00 0.00 C ATOM 956 C ARG A 516 10.244 4.128 2.350 1.00 0.00 C ATOM 957 O ARG A 516 10.761 4.564 1.321 1.00 0.00 O ATOM 958 CB ARG A 516 10.941 5.245 4.476 1.00 0.00 C ATOM 959 CG ARG A 516 11.387 3.943 5.121 1.00 0.00 C ATOM 960 CD ARG A 516 12.363 4.192 6.261 1.00 0.00 C ATOM 961 NE ARG A 516 13.746 4.240 5.796 1.00 0.00 N ATOM 962 CZ ARG A 516 14.318 5.332 5.302 1.00 0.00 C ATOM 963 NH1 ARG A 516 13.629 6.461 5.209 1.00 0.00 N ATOM 964 NH2 ARG A 516 15.582 5.296 4.900 1.00 0.00 N ATOM 0 H ARG A 516 8.792 3.920 4.894 1.00 0.00 H new ATOM 0 HA ARG A 516 9.568 6.041 3.027 1.00 0.00 H new ATOM 0 HB2 ARG A 516 11.794 5.704 3.976 1.00 0.00 H new ATOM 0 HB3 ARG A 516 10.620 5.935 5.256 1.00 0.00 H new ATOM 0 HG2 ARG A 516 10.517 3.405 5.497 1.00 0.00 H new ATOM 0 HG3 ARG A 516 11.856 3.306 4.371 1.00 0.00 H new ATOM 0 HD2 ARG A 516 12.113 5.132 6.753 1.00 0.00 H new ATOM 0 HD3 ARG A 516 12.258 3.404 7.007 1.00 0.00 H new ATOM 0 HE ARG A 516 14.304 3.388 5.854 1.00 0.00 H new ATOM 0 HH11 ARG A 516 12.657 6.492 5.517 1.00 0.00 H new ATOM 0 HH12 ARG A 516 14.071 7.298 4.829 1.00 0.00 H new ATOM 0 HH21 ARG A 516 16.115 4.429 4.970 1.00 0.00 H new ATOM 0 HH22 ARG A 516 16.021 6.135 4.521 1.00 0.00 H new ATOM 978 N ASP A 517 10.034 2.833 2.560 1.00 0.00 N ATOM 979 CA ASP A 517 10.406 1.827 1.573 1.00 0.00 C ATOM 980 C ASP A 517 9.211 1.450 0.703 1.00 0.00 C ATOM 981 O ASP A 517 9.178 0.372 0.108 1.00 0.00 O ATOM 982 CB ASP A 517 10.961 0.582 2.266 1.00 0.00 C ATOM 983 CG ASP A 517 11.660 0.909 3.571 1.00 0.00 C ATOM 984 OD1 ASP A 517 12.790 1.438 3.522 1.00 0.00 O ATOM 985 OD2 ASP A 517 11.078 0.634 4.641 1.00 0.00 O ATOM 0 H ASP A 517 9.608 2.455 3.406 1.00 0.00 H new ATOM 0 HA ASP A 517 11.179 2.252 0.932 1.00 0.00 H new ATOM 0 HB2 ASP A 517 10.147 -0.117 2.458 1.00 0.00 H new ATOM 0 HB3 ASP A 517 11.661 0.080 1.598 1.00 0.00 H new ATOM 990 N LEU A 518 8.230 2.344 0.635 1.00 0.00 N ATOM 991 CA LEU A 518 7.031 2.105 -0.161 1.00 0.00 C ATOM 992 C LEU A 518 6.836 3.209 -1.195 1.00 0.00 C ATOM 993 O LEU A 518 7.216 4.358 -0.970 1.00 0.00 O ATOM 994 CB LEU A 518 5.803 2.017 0.746 1.00 0.00 C ATOM 995 CG LEU A 518 5.701 0.765 1.618 1.00 0.00 C ATOM 996 CD1 LEU A 518 4.339 0.692 2.292 1.00 0.00 C ATOM 997 CD2 LEU A 518 5.955 -0.486 0.788 1.00 0.00 C ATOM 0 H LEU A 518 8.241 3.241 1.121 1.00 0.00 H new ATOM 0 HA LEU A 518 7.155 1.158 -0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 518 5.794 2.891 1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 518 4.911 2.075 0.123 1.00 0.00 H new ATOM 0 HG LEU A 518 6.464 0.824 2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 518 4.286 -0.206 2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 518 4.196 1.572 2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 518 3.558 0.657 1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 518 5.878 -1.367 1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 518 5.215 -0.550 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 518 6.954 -0.438 0.354 1.00 0.00 H new ATOM 1009 N GLN A 519 6.239 2.852 -2.328 1.00 0.00 N ATOM 1010 CA GLN A 519 5.992 3.814 -3.396 1.00 0.00 C ATOM 1011 C GLN A 519 4.607 3.609 -4.003 1.00 0.00 C ATOM 1012 O GLN A 519 4.196 2.479 -4.270 1.00 0.00 O ATOM 1013 CB GLN A 519 7.061 3.688 -4.482 1.00 0.00 C ATOM 1014 CG GLN A 519 8.472 3.550 -3.933 1.00 0.00 C ATOM 1015 CD GLN A 519 9.150 4.889 -3.721 1.00 0.00 C ATOM 1016 OE1 GLN A 519 10.151 5.201 -4.366 1.00 0.00 O ATOM 1017 NE2 GLN A 519 8.605 5.691 -2.814 1.00 0.00 N ATOM 0 H GLN A 519 5.918 1.905 -2.530 1.00 0.00 H new ATOM 0 HA GLN A 519 6.037 4.815 -2.967 1.00 0.00 H new ATOM 0 HB2 GLN A 519 6.835 2.821 -5.104 1.00 0.00 H new ATOM 0 HB3 GLN A 519 7.016 4.564 -5.128 1.00 0.00 H new ATOM 0 HG2 GLN A 519 8.438 3.010 -2.987 1.00 0.00 H new ATOM 0 HG3 GLN A 519 9.068 2.950 -4.621 1.00 0.00 H new ATOM 0 HE21 GLN A 519 7.775 5.392 -2.302 1.00 0.00 H new ATOM 0 HE22 GLN A 519 9.016 6.606 -2.629 1.00 0.00 H new ATOM 1026 N LEU A 520 3.893 4.708 -4.218 1.00 0.00 N ATOM 1027 CA LEU A 520 2.554 4.650 -4.793 1.00 0.00 C ATOM 1028 C LEU A 520 2.608 4.220 -6.256 1.00 0.00 C ATOM 1029 O LEU A 520 3.647 4.329 -6.908 1.00 0.00 O ATOM 1030 CB LEU A 520 1.867 6.012 -4.676 1.00 0.00 C ATOM 1031 CG LEU A 520 1.056 6.246 -3.401 1.00 0.00 C ATOM 1032 CD1 LEU A 520 0.267 7.542 -3.501 1.00 0.00 C ATOM 1033 CD2 LEU A 520 0.125 5.072 -3.137 1.00 0.00 C ATOM 0 H LEU A 520 4.219 5.650 -4.003 1.00 0.00 H new ATOM 0 HA LEU A 520 1.978 3.911 -4.236 1.00 0.00 H new ATOM 0 HB2 LEU A 520 2.629 6.788 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 520 1.205 6.137 -5.532 1.00 0.00 H new ATOM 0 HG LEU A 520 1.749 6.329 -2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 520 -0.304 7.692 -2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 520 0.954 8.376 -3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 520 -0.416 7.488 -4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 520 -0.444 5.257 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 520 -0.561 4.956 -3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 520 0.712 4.161 -3.020 1.00 0.00 H new ATOM 1045 N CYS A 521 1.482 3.732 -6.765 1.00 0.00 N ATOM 1046 CA CYS A 521 1.401 3.286 -8.152 1.00 0.00 C ATOM 1047 C CYS A 521 0.452 4.172 -8.953 1.00 0.00 C ATOM 1048 O CYS A 521 0.665 4.411 -10.141 1.00 0.00 O ATOM 1049 CB CYS A 521 0.935 1.831 -8.215 1.00 0.00 C ATOM 1050 SG CYS A 521 0.261 1.341 -9.820 1.00 0.00 S ATOM 0 H CYS A 521 0.613 3.635 -6.239 1.00 0.00 H new ATOM 0 HA CYS A 521 2.396 3.360 -8.591 1.00 0.00 H new ATOM 0 HB2 CYS A 521 1.775 1.181 -7.972 1.00 0.00 H new ATOM 0 HB3 CYS A 521 0.176 1.670 -7.450 1.00 0.00 H new ATOM 0 HG CYS A 521 0.352 2.336 -10.651 1.00 0.00 H new ATOM 1056 N SER A 522 -0.597 4.655 -8.294 1.00 0.00 N ATOM 1057 CA SER A 522 -1.582 5.510 -8.945 1.00 0.00 C ATOM 1058 C SER A 522 -2.334 6.352 -7.920 1.00 0.00 C ATOM 1059 O SER A 522 -3.080 5.825 -7.095 1.00 0.00 O ATOM 1060 CB SER A 522 -2.570 4.663 -9.750 1.00 0.00 C ATOM 1061 OG SER A 522 -3.408 5.480 -10.549 1.00 0.00 O ATOM 0 H SER A 522 -0.786 4.468 -7.309 1.00 0.00 H new ATOM 0 HA SER A 522 -1.053 6.181 -9.622 1.00 0.00 H new ATOM 0 HB2 SER A 522 -2.023 3.966 -10.385 1.00 0.00 H new ATOM 0 HB3 SER A 522 -3.179 4.065 -9.072 1.00 0.00 H new ATOM 0 HG SER A 522 -4.029 4.916 -11.055 1.00 0.00 H new ATOM 1067 N GLU A 523 -2.131 7.665 -7.978 1.00 0.00 N ATOM 1068 CA GLU A 523 -2.789 8.580 -7.053 1.00 0.00 C ATOM 1069 C GLU A 523 -4.084 9.120 -7.652 1.00 0.00 C ATOM 1070 O GLU A 523 -4.068 10.061 -8.444 1.00 0.00 O ATOM 1071 CB GLU A 523 -1.856 9.740 -6.699 1.00 0.00 C ATOM 1072 CG GLU A 523 -0.908 10.124 -7.822 1.00 0.00 C ATOM 1073 CD GLU A 523 0.391 9.341 -7.783 1.00 0.00 C ATOM 1074 OE1 GLU A 523 0.788 8.904 -6.683 1.00 0.00 O ATOM 1075 OE2 GLU A 523 1.009 9.165 -8.854 1.00 0.00 O ATOM 0 H GLU A 523 -1.517 8.118 -8.655 1.00 0.00 H new ATOM 0 HA GLU A 523 -3.031 8.027 -6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -2.457 10.609 -6.429 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -1.272 9.470 -5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -1.400 9.957 -8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -0.688 11.190 -7.758 1.00 0.00 H new TER 1082 GLU A 523