USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 584 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 70 THR OG1 : rot -49:sc= 1.63 USER MOD Set 1.2: A 76 LYS NZ :NH3+ -168:sc= 0.797 (180deg=0) USER MOD Set 2.1: A 42 HIS : no HD1:sc= -0.23 K(o=-0.5,f=-5.8!) USER MOD Set 2.2: A 56 HIS : no HD1:sc= -0.272 X(o=-0.5,f=-0.25) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 63:sc= 0.229 USER MOD Single : A 12 GLN : amide:sc= 2.62 K(o=2.6,f=-10!) USER MOD Single : A 15 LYS NZ :NH3+ 138:sc= 0.562 (180deg=0.196) USER MOD Single : A 17 THR OG1 : rot -79:sc= 0.724 USER MOD Single : A 22 SER OG : rot 81:sc= 0.569 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -23:sc= 0.49 USER MOD Single : A 32 THR OG1 : rot 48:sc= 0.0935 USER MOD Single : A 36 THR OG1 : rot -66:sc= 1.13 USER MOD Single : A 37 SER OG : rot 180:sc= 0.115 USER MOD Single : A 45 SER OG : rot 71:sc= 1.2 USER MOD Single : A 46 HIS : no HD1:sc= -0.0866 X(o=-0.087,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -122:sc= 1.25 (180deg=0.354) USER MOD Single : A 51 SER OG : rot 180:sc= 0.00844 USER MOD Single : A 53 GLN : amide:sc= -0.559 X(o=-0.56,f=-0.44) USER MOD Single : A 55 MET CE :methyl 170:sc= 0 (180deg=-0.0705) USER MOD Single : A 57 HIS : no HD1:sc= -2.33 K(o=-2.3,f=-6.5!) USER MOD Single : A 58 THR OG1 : rot -149:sc=-0.00142 USER MOD Single : A 64 ASN : amide:sc= 1.06 K(o=1.1,f=-0.4) USER MOD Single : A 69 GLN : amide:sc= -0.486 K(o=-0.49,f=-2.8!) USER MOD Single : A 71 SER OG : rot 180:sc= -0.306 USER MOD Single : A 73 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0429) USER MOD Single : A 74 LYS NZ :NH3+ 168:sc=-0.00231 (180deg=-0.153) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0875 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 20.453 0.462 -4.177 1.00 0.00 N ATOM 2 CA ALA A 1 20.889 1.667 -4.866 1.00 0.00 C ATOM 3 C ALA A 1 19.695 2.378 -5.507 1.00 0.00 C ATOM 4 O ALA A 1 19.472 3.564 -5.270 1.00 0.00 O ATOM 5 CB ALA A 1 21.951 1.308 -5.911 1.00 0.00 C ATOM 0 H1 ALA A 1 21.275 -0.009 -3.747 1.00 0.00 H new ATOM 0 H2 ALA A 1 19.771 0.715 -3.434 1.00 0.00 H new ATOM 0 H3 ALA A 1 20.001 -0.182 -4.857 1.00 0.00 H new ATOM 0 HA ALA A 1 21.333 2.354 -4.146 1.00 0.00 H new ATOM 0 HB1 ALA A 1 22.276 2.212 -6.425 1.00 0.00 H new ATOM 0 HB2 ALA A 1 22.805 0.845 -5.417 1.00 0.00 H new ATOM 0 HB3 ALA A 1 21.528 0.611 -6.635 1.00 0.00 H new ATOM 12 N VAL A 2 18.916 1.653 -6.314 1.00 0.00 N ATOM 13 CA VAL A 2 17.745 2.185 -7.003 1.00 0.00 C ATOM 14 C VAL A 2 16.565 2.351 -6.035 1.00 0.00 C ATOM 15 O VAL A 2 15.507 1.746 -6.214 1.00 0.00 O ATOM 16 CB VAL A 2 17.409 1.330 -8.243 1.00 0.00 C ATOM 17 CG1 VAL A 2 18.482 1.519 -9.322 1.00 0.00 C ATOM 18 CG2 VAL A 2 17.265 -0.172 -7.947 1.00 0.00 C ATOM 0 H VAL A 2 19.086 0.666 -6.508 1.00 0.00 H new ATOM 0 HA VAL A 2 17.972 3.185 -7.372 1.00 0.00 H new ATOM 0 HB VAL A 2 16.437 1.683 -8.588 1.00 0.00 H new ATOM 0 HG11 VAL A 2 18.234 0.911 -10.192 1.00 0.00 H new ATOM 0 HG12 VAL A 2 18.524 2.569 -9.613 1.00 0.00 H new ATOM 0 HG13 VAL A 2 19.451 1.212 -8.929 1.00 0.00 H new ATOM 0 HG21 VAL A 2 17.029 -0.704 -8.869 1.00 0.00 H new ATOM 0 HG22 VAL A 2 18.200 -0.553 -7.538 1.00 0.00 H new ATOM 0 HG23 VAL A 2 16.463 -0.325 -7.224 1.00 0.00 H new ATOM 28 N ILE A 3 16.743 3.204 -5.019 1.00 0.00 N ATOM 29 CA ILE A 3 15.746 3.528 -4.021 1.00 0.00 C ATOM 30 C ILE A 3 14.455 4.004 -4.693 1.00 0.00 C ATOM 31 O ILE A 3 13.355 3.681 -4.247 1.00 0.00 O ATOM 32 CB ILE A 3 16.342 4.532 -3.022 1.00 0.00 C ATOM 33 CG1 ILE A 3 16.801 5.854 -3.666 1.00 0.00 C ATOM 34 CG2 ILE A 3 17.473 3.868 -2.220 1.00 0.00 C ATOM 35 CD1 ILE A 3 17.274 6.877 -2.630 1.00 0.00 C ATOM 0 H ILE A 3 17.622 3.700 -4.874 1.00 0.00 H new ATOM 0 HA ILE A 3 15.467 2.643 -3.449 1.00 0.00 H new ATOM 0 HB ILE A 3 15.538 4.815 -2.342 1.00 0.00 H new ATOM 0 HG12 ILE A 3 17.610 5.651 -4.367 1.00 0.00 H new ATOM 0 HG13 ILE A 3 15.979 6.279 -4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 3 17.889 4.587 -1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.078 3.011 -1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 3 18.255 3.534 -2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 3 17.586 7.790 -3.137 1.00 0.00 H new ATOM 0 HD12 ILE A 3 16.458 7.104 -1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 3 18.115 6.467 -2.071 1.00 0.00 H new ATOM 47 N THR A 4 14.585 4.742 -5.799 1.00 0.00 N ATOM 48 CA THR A 4 13.475 5.165 -6.630 1.00 0.00 C ATOM 49 C THR A 4 13.035 3.945 -7.445 1.00 0.00 C ATOM 50 O THR A 4 13.234 3.909 -8.659 1.00 0.00 O ATOM 51 CB THR A 4 13.964 6.301 -7.538 1.00 0.00 C ATOM 52 OG1 THR A 4 15.171 5.894 -8.150 1.00 0.00 O ATOM 53 CG2 THR A 4 14.218 7.587 -6.747 1.00 0.00 C ATOM 0 H THR A 4 15.490 5.065 -6.142 1.00 0.00 H new ATOM 0 HA THR A 4 12.631 5.533 -6.047 1.00 0.00 H new ATOM 0 HB THR A 4 13.193 6.508 -8.280 1.00 0.00 H new ATOM 0 HG1 THR A 4 15.004 5.108 -8.712 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.563 8.368 -7.424 1.00 0.00 H new ATOM 0 HG22 THR A 4 13.294 7.906 -6.265 1.00 0.00 H new ATOM 0 HG23 THR A 4 14.978 7.403 -5.988 1.00 0.00 H new ATOM 61 N GLY A 5 12.486 2.936 -6.769 1.00 0.00 N ATOM 62 CA GLY A 5 12.066 1.687 -7.375 1.00 0.00 C ATOM 63 C GLY A 5 12.047 0.597 -6.310 1.00 0.00 C ATOM 64 O GLY A 5 10.976 0.240 -5.824 1.00 0.00 O ATOM 0 H GLY A 5 12.320 2.972 -5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.076 1.798 -7.817 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.746 1.413 -8.181 1.00 0.00 H new ATOM 68 N ALA A 6 13.223 0.078 -5.941 1.00 0.00 N ATOM 69 CA ALA A 6 13.356 -0.945 -4.909 1.00 0.00 C ATOM 70 C ALA A 6 13.374 -0.217 -3.571 1.00 0.00 C ATOM 71 O ALA A 6 14.304 0.537 -3.299 1.00 0.00 O ATOM 72 CB ALA A 6 14.641 -1.749 -5.126 1.00 0.00 C ATOM 0 H ALA A 6 14.112 0.360 -6.355 1.00 0.00 H new ATOM 0 HA ALA A 6 12.530 -1.656 -4.941 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.730 -2.509 -4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.608 -2.230 -6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.501 -1.081 -5.079 1.00 0.00 H new ATOM 78 N CYS A 7 12.326 -0.384 -2.768 1.00 0.00 N ATOM 79 CA CYS A 7 12.149 0.364 -1.535 1.00 0.00 C ATOM 80 C CYS A 7 11.560 -0.515 -0.448 1.00 0.00 C ATOM 81 O CYS A 7 10.663 -1.304 -0.727 1.00 0.00 O ATOM 82 CB CYS A 7 11.217 1.527 -1.825 1.00 0.00 C ATOM 83 SG CYS A 7 10.613 2.355 -0.352 1.00 0.00 S ATOM 0 H CYS A 7 11.574 -1.046 -2.959 1.00 0.00 H new ATOM 0 HA CYS A 7 13.115 0.724 -1.181 1.00 0.00 H new ATOM 0 HB2 CYS A 7 11.739 2.252 -2.450 1.00 0.00 H new ATOM 0 HB3 CYS A 7 10.366 1.164 -2.401 1.00 0.00 H new ATOM 88 N GLU A 8 12.005 -0.317 0.791 1.00 0.00 N ATOM 89 CA GLU A 8 11.610 -1.094 1.944 1.00 0.00 C ATOM 90 C GLU A 8 10.527 -0.352 2.729 1.00 0.00 C ATOM 91 O GLU A 8 9.681 -0.998 3.339 1.00 0.00 O ATOM 92 CB GLU A 8 12.851 -1.355 2.814 1.00 0.00 C ATOM 93 CG GLU A 8 13.929 -2.192 2.099 1.00 0.00 C ATOM 94 CD GLU A 8 14.597 -1.485 0.918 1.00 0.00 C ATOM 95 OE1 GLU A 8 15.027 -0.324 1.108 1.00 0.00 O ATOM 96 OE2 GLU A 8 14.642 -2.106 -0.165 1.00 0.00 O ATOM 0 H GLU A 8 12.675 0.418 1.019 1.00 0.00 H new ATOM 0 HA GLU A 8 11.193 -2.050 1.629 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.282 -0.401 3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.546 -1.869 3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.696 -2.469 2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.477 -3.118 1.744 1.00 0.00 H new ATOM 103 N ARG A 9 10.555 0.984 2.759 1.00 0.00 N ATOM 104 CA ARG A 9 9.561 1.791 3.458 1.00 0.00 C ATOM 105 C ARG A 9 9.311 3.109 2.729 1.00 0.00 C ATOM 106 O ARG A 9 10.259 3.785 2.323 1.00 0.00 O ATOM 107 CB ARG A 9 9.961 2.033 4.914 1.00 0.00 C ATOM 108 CG ARG A 9 11.406 2.529 5.089 1.00 0.00 C ATOM 109 CD ARG A 9 12.217 1.519 5.905 1.00 0.00 C ATOM 110 NE ARG A 9 11.734 1.483 7.292 1.00 0.00 N ATOM 111 CZ ARG A 9 12.090 0.595 8.227 1.00 0.00 C ATOM 112 NH1 ARG A 9 12.861 -0.453 7.919 1.00 0.00 N ATOM 113 NH2 ARG A 9 11.658 0.781 9.478 1.00 0.00 N ATOM 0 H ARG A 9 11.276 1.536 2.294 1.00 0.00 H new ATOM 0 HA ARG A 9 8.627 1.230 3.463 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.281 2.764 5.351 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.835 1.106 5.474 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.869 2.674 4.113 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.408 3.497 5.590 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.134 0.529 5.457 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.273 1.790 5.887 1.00 0.00 H new ATOM 0 HE ARG A 9 11.065 2.202 7.568 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.186 -0.583 6.961 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.125 -1.122 8.642 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.071 1.585 9.701 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.915 0.119 10.210 1.00 0.00 H new ATOM 127 N ASP A 10 8.022 3.448 2.602 1.00 0.00 N ATOM 128 CA ASP A 10 7.435 4.595 1.917 1.00 0.00 C ATOM 129 C ASP A 10 8.399 5.763 1.701 1.00 0.00 C ATOM 130 O ASP A 10 8.605 6.211 0.572 1.00 0.00 O ATOM 131 CB ASP A 10 6.234 5.099 2.725 1.00 0.00 C ATOM 132 CG ASP A 10 5.079 4.129 2.910 1.00 0.00 C ATOM 133 OD1 ASP A 10 5.154 2.938 2.538 1.00 0.00 O ATOM 134 OD2 ASP A 10 4.074 4.603 3.476 1.00 0.00 O ATOM 0 H ASP A 10 7.297 2.865 3.020 1.00 0.00 H new ATOM 0 HA ASP A 10 7.147 4.241 0.927 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.589 5.397 3.712 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.850 5.996 2.240 1.00 0.00 H new ATOM 139 N LEU A 11 8.950 6.253 2.815 1.00 0.00 N ATOM 140 CA LEU A 11 9.844 7.394 2.939 1.00 0.00 C ATOM 141 C LEU A 11 10.882 7.488 1.819 1.00 0.00 C ATOM 142 O LEU A 11 11.148 8.584 1.333 1.00 0.00 O ATOM 143 CB LEU A 11 10.519 7.319 4.319 1.00 0.00 C ATOM 144 CG LEU A 11 11.422 8.518 4.657 1.00 0.00 C ATOM 145 CD1 LEU A 11 10.621 9.822 4.767 1.00 0.00 C ATOM 146 CD2 LEU A 11 12.132 8.251 5.988 1.00 0.00 C ATOM 0 H LEU A 11 8.764 5.824 3.722 1.00 0.00 H new ATOM 0 HA LEU A 11 9.251 8.304 2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.746 7.237 5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.114 6.407 4.368 1.00 0.00 H new ATOM 0 HG LEU A 11 12.145 8.634 3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.295 10.644 5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.124 10.025 3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.874 9.725 5.554 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.774 9.097 6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.390 8.117 6.776 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.738 7.349 5.903 1.00 0.00 H new ATOM 158 N GLN A 12 11.480 6.363 1.414 1.00 0.00 N ATOM 159 CA GLN A 12 12.513 6.373 0.383 1.00 0.00 C ATOM 160 C GLN A 12 11.996 6.945 -0.945 1.00 0.00 C ATOM 161 O GLN A 12 12.776 7.523 -1.698 1.00 0.00 O ATOM 162 CB GLN A 12 13.094 4.969 0.191 1.00 0.00 C ATOM 163 CG GLN A 12 13.543 4.327 1.511 1.00 0.00 C ATOM 164 CD GLN A 12 13.821 2.843 1.368 1.00 0.00 C ATOM 165 OE1 GLN A 12 13.038 2.016 1.827 1.00 0.00 O ATOM 166 NE2 GLN A 12 14.927 2.470 0.748 1.00 0.00 N ATOM 0 H GLN A 12 11.265 5.438 1.786 1.00 0.00 H new ATOM 0 HA GLN A 12 13.310 7.034 0.723 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.346 4.332 -0.282 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.944 5.022 -0.490 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.442 4.829 1.869 1.00 0.00 H new ATOM 0 HG3 GLN A 12 12.772 4.478 2.266 1.00 0.00 H new ATOM 0 HE21 GLN A 12 15.564 3.173 0.374 1.00 0.00 H new ATOM 0 HE22 GLN A 12 15.144 1.479 0.643 1.00 0.00 H new ATOM 175 N CYS A 13 10.700 6.769 -1.239 1.00 0.00 N ATOM 176 CA CYS A 13 10.055 7.300 -2.437 1.00 0.00 C ATOM 177 C CYS A 13 9.146 8.466 -2.053 1.00 0.00 C ATOM 178 O CYS A 13 9.401 9.605 -2.441 1.00 0.00 O ATOM 179 CB CYS A 13 9.286 6.205 -3.188 1.00 0.00 C ATOM 180 SG CYS A 13 10.198 5.449 -4.553 1.00 0.00 S ATOM 0 H CYS A 13 10.065 6.244 -0.638 1.00 0.00 H new ATOM 0 HA CYS A 13 10.822 7.668 -3.119 1.00 0.00 H new ATOM 0 HB2 CYS A 13 9.005 5.425 -2.480 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.361 6.630 -3.577 1.00 0.00 H new ATOM 185 N GLY A 14 8.074 8.197 -1.306 1.00 0.00 N ATOM 186 CA GLY A 14 7.130 9.207 -0.844 1.00 0.00 C ATOM 187 C GLY A 14 6.186 9.753 -1.916 1.00 0.00 C ATOM 188 O GLY A 14 4.967 9.683 -1.781 1.00 0.00 O ATOM 0 H GLY A 14 7.836 7.253 -1.001 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.532 8.781 -0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.691 10.039 -0.419 1.00 0.00 H new ATOM 192 N LYS A 15 6.764 10.346 -2.957 1.00 0.00 N ATOM 193 CA LYS A 15 6.094 11.029 -4.066 1.00 0.00 C ATOM 194 C LYS A 15 4.892 10.235 -4.600 1.00 0.00 C ATOM 195 O LYS A 15 5.055 9.370 -5.458 1.00 0.00 O ATOM 196 CB LYS A 15 7.093 11.348 -5.196 1.00 0.00 C ATOM 197 CG LYS A 15 8.455 11.901 -4.750 1.00 0.00 C ATOM 198 CD LYS A 15 8.369 13.090 -3.781 1.00 0.00 C ATOM 199 CE LYS A 15 9.757 13.426 -3.221 1.00 0.00 C ATOM 200 NZ LYS A 15 10.213 12.415 -2.247 1.00 0.00 N ATOM 0 H LYS A 15 7.779 10.365 -3.057 1.00 0.00 H new ATOM 0 HA LYS A 15 5.703 11.968 -3.675 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.263 10.438 -5.772 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.632 12.071 -5.869 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.021 11.100 -4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.016 12.207 -5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.958 13.958 -4.296 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.688 12.853 -2.964 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.474 13.491 -4.040 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.729 14.405 -2.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.219 12.206 -2.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.086 12.781 -1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.656 11.545 -2.363 1.00 0.00 H new ATOM 214 N GLY A 16 3.692 10.504 -4.070 1.00 0.00 N ATOM 215 CA GLY A 16 2.455 9.810 -4.423 1.00 0.00 C ATOM 216 C GLY A 16 2.601 8.288 -4.325 1.00 0.00 C ATOM 217 O GLY A 16 1.901 7.537 -5.009 1.00 0.00 O ATOM 0 H GLY A 16 3.555 11.229 -3.366 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.653 10.140 -3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.164 10.081 -5.438 1.00 0.00 H new ATOM 221 N THR A 17 3.505 7.827 -3.460 1.00 0.00 N ATOM 222 CA THR A 17 3.836 6.425 -3.329 1.00 0.00 C ATOM 223 C THR A 17 4.028 6.071 -1.859 1.00 0.00 C ATOM 224 O THR A 17 4.086 6.923 -0.975 1.00 0.00 O ATOM 225 CB THR A 17 5.125 6.123 -4.137 1.00 0.00 C ATOM 226 OG1 THR A 17 6.034 7.193 -3.979 1.00 0.00 O ATOM 227 CG2 THR A 17 4.883 5.964 -5.640 1.00 0.00 C ATOM 0 H THR A 17 4.029 8.431 -2.827 1.00 0.00 H new ATOM 0 HA THR A 17 3.021 5.818 -3.724 1.00 0.00 H new ATOM 0 HB THR A 17 5.510 5.180 -3.749 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.770 7.935 -4.562 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.828 5.755 -6.141 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.191 5.140 -5.812 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.457 6.884 -6.039 1.00 0.00 H new ATOM 235 N CYS A 18 4.106 4.768 -1.642 1.00 0.00 N ATOM 236 CA CYS A 18 4.359 4.045 -0.415 1.00 0.00 C ATOM 237 C CYS A 18 5.271 2.910 -0.848 1.00 0.00 C ATOM 238 O CYS A 18 5.679 2.862 -2.009 1.00 0.00 O ATOM 239 CB CYS A 18 3.060 3.443 0.114 1.00 0.00 C ATOM 240 SG CYS A 18 2.209 2.565 -1.209 1.00 0.00 S ATOM 0 H CYS A 18 3.977 4.119 -2.418 1.00 0.00 H new ATOM 0 HA CYS A 18 4.780 4.680 0.364 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.274 2.761 0.937 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.419 4.230 0.511 1.00 0.00 H new ATOM 245 N CYS A 19 5.563 1.973 0.046 1.00 0.00 N ATOM 246 CA CYS A 19 6.416 0.836 -0.301 1.00 0.00 C ATOM 247 C CYS A 19 5.859 -0.464 0.254 1.00 0.00 C ATOM 248 O CYS A 19 5.825 -0.675 1.467 1.00 0.00 O ATOM 249 CB CYS A 19 7.870 1.075 0.099 1.00 0.00 C ATOM 250 SG CYS A 19 8.591 2.529 -0.701 1.00 0.00 S ATOM 0 H CYS A 19 5.227 1.974 1.009 1.00 0.00 H new ATOM 0 HA CYS A 19 6.413 0.738 -1.387 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.929 1.195 1.181 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.461 0.196 -0.157 1.00 0.00 H new ATOM 255 N ALA A 20 5.411 -1.334 -0.653 1.00 0.00 N ATOM 256 CA ALA A 20 4.872 -2.643 -0.332 1.00 0.00 C ATOM 257 C ALA A 20 5.894 -3.674 -0.790 1.00 0.00 C ATOM 258 O ALA A 20 6.957 -3.338 -1.317 1.00 0.00 O ATOM 259 CB ALA A 20 3.510 -2.858 -1.004 1.00 0.00 C ATOM 0 H ALA A 20 5.416 -1.136 -1.654 1.00 0.00 H new ATOM 0 HA ALA A 20 4.699 -2.737 0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.129 -3.846 -0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.810 -2.098 -0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.622 -2.783 -2.086 1.00 0.00 H new ATOM 265 N VAL A 21 5.558 -4.940 -0.583 1.00 0.00 N ATOM 266 CA VAL A 21 6.391 -6.063 -0.956 1.00 0.00 C ATOM 267 C VAL A 21 6.482 -6.150 -2.497 1.00 0.00 C ATOM 268 O VAL A 21 5.847 -5.365 -3.196 1.00 0.00 O ATOM 269 CB VAL A 21 5.757 -7.300 -0.285 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.565 -8.564 -0.545 1.00 0.00 C ATOM 271 CG2 VAL A 21 5.621 -7.152 1.240 1.00 0.00 C ATOM 0 H VAL A 21 4.680 -5.215 -0.142 1.00 0.00 H new ATOM 0 HA VAL A 21 7.423 -5.972 -0.618 1.00 0.00 H new ATOM 0 HB VAL A 21 4.766 -7.378 -0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.084 -9.411 -0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.618 -8.748 -1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.573 -8.440 -0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.169 -8.053 1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.607 -7.005 1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.990 -6.292 1.467 1.00 0.00 H new ATOM 281 N SER A 22 7.295 -7.052 -3.057 1.00 0.00 N ATOM 282 CA SER A 22 7.297 -7.337 -4.491 1.00 0.00 C ATOM 283 C SER A 22 6.329 -8.489 -4.770 1.00 0.00 C ATOM 284 O SER A 22 6.185 -9.409 -3.967 1.00 0.00 O ATOM 285 CB SER A 22 8.713 -7.608 -5.019 1.00 0.00 C ATOM 286 OG SER A 22 8.690 -8.452 -6.164 1.00 0.00 O ATOM 0 H SER A 22 7.969 -7.604 -2.527 1.00 0.00 H new ATOM 0 HA SER A 22 6.952 -6.458 -5.035 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.195 -6.664 -5.271 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.312 -8.072 -4.235 1.00 0.00 H new ATOM 0 HG SER A 22 8.473 -7.920 -6.958 1.00 0.00 H new ATOM 292 N LEU A 23 5.614 -8.423 -5.895 1.00 0.00 N ATOM 293 CA LEU A 23 4.671 -9.450 -6.320 1.00 0.00 C ATOM 294 C LEU A 23 5.422 -10.640 -6.920 1.00 0.00 C ATOM 295 O LEU A 23 4.808 -11.668 -7.196 1.00 0.00 O ATOM 296 CB LEU A 23 3.719 -8.847 -7.371 1.00 0.00 C ATOM 297 CG LEU A 23 2.611 -7.920 -6.830 1.00 0.00 C ATOM 298 CD1 LEU A 23 1.655 -8.600 -5.839 1.00 0.00 C ATOM 299 CD2 LEU A 23 3.160 -6.646 -6.194 1.00 0.00 C ATOM 0 H LEU A 23 5.678 -7.639 -6.545 1.00 0.00 H new ATOM 0 HA LEU A 23 4.100 -9.799 -5.460 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.314 -8.286 -8.091 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.247 -9.665 -7.916 1.00 0.00 H new ATOM 0 HG LEU A 23 2.040 -7.658 -7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.906 -7.882 -5.505 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.161 -9.440 -6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.219 -8.962 -4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.333 -6.035 -5.832 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.811 -6.907 -5.359 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.729 -6.085 -6.936 1.00 0.00 H new ATOM 311 N TRP A 24 6.737 -10.509 -7.124 1.00 0.00 N ATOM 312 CA TRP A 24 7.544 -11.502 -7.813 1.00 0.00 C ATOM 313 C TRP A 24 8.277 -12.364 -6.791 1.00 0.00 C ATOM 314 O TRP A 24 8.221 -13.588 -6.878 1.00 0.00 O ATOM 315 CB TRP A 24 8.428 -10.769 -8.834 1.00 0.00 C ATOM 316 CG TRP A 24 7.704 -9.631 -9.511 1.00 0.00 C ATOM 317 CD1 TRP A 24 8.121 -8.345 -9.531 1.00 0.00 C ATOM 318 CD2 TRP A 24 6.338 -9.608 -10.037 1.00 0.00 C ATOM 319 NE1 TRP A 24 7.107 -7.527 -9.986 1.00 0.00 N ATOM 320 CE2 TRP A 24 5.970 -8.253 -10.276 1.00 0.00 C ATOM 321 CE3 TRP A 24 5.332 -10.579 -10.242 1.00 0.00 C ATOM 322 CZ2 TRP A 24 4.670 -7.888 -10.660 1.00 0.00 C ATOM 323 CZ3 TRP A 24 4.047 -10.230 -10.691 1.00 0.00 C ATOM 324 CH2 TRP A 24 3.708 -8.883 -10.884 1.00 0.00 C ATOM 0 H TRP A 24 7.270 -9.698 -6.809 1.00 0.00 H new ATOM 0 HA TRP A 24 6.947 -12.212 -8.385 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.315 -10.384 -8.332 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.771 -11.477 -9.588 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.103 -8.008 -9.235 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.188 -6.516 -10.094 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.557 -11.617 -10.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 4.412 -6.846 -10.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.318 -11.002 -10.888 1.00 0.00 H new ATOM 0 HH2 TRP A 24 2.712 -8.614 -11.203 1.00 0.00 H new ATOM 335 N ILE A 25 8.932 -11.746 -5.804 1.00 0.00 N ATOM 336 CA ILE A 25 9.560 -12.444 -4.712 1.00 0.00 C ATOM 337 C ILE A 25 9.385 -11.618 -3.441 1.00 0.00 C ATOM 338 O ILE A 25 9.739 -10.440 -3.406 1.00 0.00 O ATOM 339 CB ILE A 25 11.042 -12.720 -5.006 1.00 0.00 C ATOM 340 CG1 ILE A 25 11.850 -11.494 -5.469 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.191 -13.905 -5.966 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.290 -11.830 -5.867 1.00 0.00 C ATOM 0 H ILE A 25 9.034 -10.732 -5.753 1.00 0.00 H new ATOM 0 HA ILE A 25 9.084 -13.416 -4.578 1.00 0.00 H new ATOM 0 HB ILE A 25 11.489 -12.984 -4.047 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.344 -11.034 -6.318 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.865 -10.755 -4.668 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.248 -14.084 -6.162 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.749 -14.795 -5.517 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.682 -13.680 -6.903 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.802 -10.921 -6.183 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.812 -12.262 -5.013 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.283 -12.546 -6.689 1.00 0.00 H new ATOM 354 N LYS A 26 8.885 -12.260 -2.380 1.00 0.00 N ATOM 355 CA LYS A 26 8.728 -11.645 -1.068 1.00 0.00 C ATOM 356 C LYS A 26 10.070 -11.084 -0.577 1.00 0.00 C ATOM 357 O LYS A 26 10.103 -10.168 0.239 1.00 0.00 O ATOM 358 CB LYS A 26 8.147 -12.687 -0.099 1.00 0.00 C ATOM 359 CG LYS A 26 7.767 -12.081 1.259 1.00 0.00 C ATOM 360 CD LYS A 26 7.060 -13.124 2.132 1.00 0.00 C ATOM 361 CE LYS A 26 6.630 -12.500 3.465 1.00 0.00 C ATOM 362 NZ LYS A 26 5.925 -13.477 4.313 1.00 0.00 N ATOM 0 H LYS A 26 8.576 -13.232 -2.414 1.00 0.00 H new ATOM 0 HA LYS A 26 8.037 -10.804 -1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.265 -13.144 -0.548 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.876 -13.483 0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.662 -11.720 1.766 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.115 -11.220 1.110 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.188 -13.516 1.608 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.727 -13.967 2.316 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.507 -12.124 3.992 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.981 -11.645 3.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.647 -13.024 5.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.075 -13.817 3.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.554 -14.281 4.513 1.00 0.00 H new ATOM 376 N SER A 27 11.180 -11.628 -1.092 1.00 0.00 N ATOM 377 CA SER A 27 12.521 -11.184 -0.756 1.00 0.00 C ATOM 378 C SER A 27 12.798 -9.734 -1.171 1.00 0.00 C ATOM 379 O SER A 27 13.854 -9.229 -0.789 1.00 0.00 O ATOM 380 CB SER A 27 13.556 -12.119 -1.395 1.00 0.00 C ATOM 381 OG SER A 27 14.846 -11.829 -0.893 1.00 0.00 O ATOM 0 H SER A 27 11.162 -12.398 -1.761 1.00 0.00 H new ATOM 0 HA SER A 27 12.602 -11.220 0.330 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.300 -13.157 -1.184 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.544 -12.002 -2.479 1.00 0.00 H new ATOM 0 HG SER A 27 14.867 -10.909 -0.556 1.00 0.00 H new ATOM 387 N VAL A 28 11.946 -9.087 -1.980 1.00 0.00 N ATOM 388 CA VAL A 28 12.148 -7.692 -2.361 1.00 0.00 C ATOM 389 C VAL A 28 10.876 -6.886 -2.109 1.00 0.00 C ATOM 390 O VAL A 28 9.791 -7.450 -1.960 1.00 0.00 O ATOM 391 CB VAL A 28 12.743 -7.596 -3.784 1.00 0.00 C ATOM 392 CG1 VAL A 28 11.842 -7.835 -4.988 1.00 0.00 C ATOM 393 CG2 VAL A 28 13.436 -6.252 -4.015 1.00 0.00 C ATOM 0 H VAL A 28 11.111 -9.514 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 28 12.900 -7.223 -1.726 1.00 0.00 H new ATOM 0 HB VAL A 28 13.421 -8.449 -3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.423 -7.728 -5.904 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.426 -8.841 -4.937 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.031 -7.107 -4.986 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.842 -6.221 -5.026 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.715 -5.444 -3.889 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.246 -6.132 -3.295 1.00 0.00 H new ATOM 403 N ARG A 29 11.025 -5.564 -2.005 1.00 0.00 N ATOM 404 CA ARG A 29 9.958 -4.616 -1.742 1.00 0.00 C ATOM 405 C ARG A 29 10.122 -3.448 -2.723 1.00 0.00 C ATOM 406 O ARG A 29 11.254 -3.129 -3.096 1.00 0.00 O ATOM 407 CB ARG A 29 10.026 -4.168 -0.279 1.00 0.00 C ATOM 408 CG ARG A 29 9.987 -5.309 0.755 1.00 0.00 C ATOM 409 CD ARG A 29 9.765 -4.774 2.178 1.00 0.00 C ATOM 410 NE ARG A 29 8.600 -3.877 2.234 1.00 0.00 N ATOM 411 CZ ARG A 29 7.396 -4.109 2.768 1.00 0.00 C ATOM 412 NH1 ARG A 29 7.119 -5.231 3.436 1.00 0.00 N ATOM 413 NH2 ARG A 29 6.428 -3.204 2.619 1.00 0.00 N ATOM 0 H ARG A 29 11.934 -5.113 -2.107 1.00 0.00 H new ATOM 0 HA ARG A 29 8.974 -5.061 -1.891 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.942 -3.596 -0.132 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.194 -3.492 -0.083 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.189 -6.006 0.499 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.922 -5.867 0.717 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.618 -5.608 2.864 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.655 -4.240 2.511 1.00 0.00 H new ATOM 0 HE ARG A 29 8.727 -2.958 1.810 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.837 -5.946 3.553 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.189 -5.374 3.830 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.609 -2.344 2.101 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.506 -3.372 3.023 1.00 0.00 H new ATOM 427 N VAL A 30 9.020 -2.840 -3.181 1.00 0.00 N ATOM 428 CA VAL A 30 9.058 -1.813 -4.222 1.00 0.00 C ATOM 429 C VAL A 30 8.130 -0.627 -3.943 1.00 0.00 C ATOM 430 O VAL A 30 7.100 -0.764 -3.271 1.00 0.00 O ATOM 431 CB VAL A 30 8.759 -2.435 -5.601 1.00 0.00 C ATOM 432 CG1 VAL A 30 9.801 -3.492 -5.989 1.00 0.00 C ATOM 433 CG2 VAL A 30 7.354 -3.051 -5.672 1.00 0.00 C ATOM 0 H VAL A 30 8.082 -3.048 -2.840 1.00 0.00 H new ATOM 0 HA VAL A 30 10.070 -1.407 -4.221 1.00 0.00 H new ATOM 0 HB VAL A 30 8.809 -1.612 -6.314 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.553 -3.905 -6.967 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.788 -3.032 -6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.803 -4.291 -5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.192 -3.475 -6.663 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.263 -3.836 -4.922 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.608 -2.279 -5.482 1.00 0.00 H new ATOM 443 N CYS A 31 8.497 0.542 -4.490 1.00 0.00 N ATOM 444 CA CYS A 31 7.714 1.763 -4.393 1.00 0.00 C ATOM 445 C CYS A 31 6.391 1.510 -5.102 1.00 0.00 C ATOM 446 O CYS A 31 6.336 1.393 -6.324 1.00 0.00 O ATOM 447 CB CYS A 31 8.426 2.980 -4.995 1.00 0.00 C ATOM 448 SG CYS A 31 10.002 3.409 -4.228 1.00 0.00 S ATOM 0 H CYS A 31 9.362 0.657 -5.019 1.00 0.00 H new ATOM 0 HA CYS A 31 7.562 2.004 -3.341 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.596 2.793 -6.055 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.761 3.841 -4.925 1.00 0.00 H new ATOM 453 N THR A 32 5.333 1.394 -4.314 1.00 0.00 N ATOM 454 CA THR A 32 3.985 1.094 -4.747 1.00 0.00 C ATOM 455 C THR A 32 3.230 2.425 -4.790 1.00 0.00 C ATOM 456 O THR A 32 3.465 3.279 -3.934 1.00 0.00 O ATOM 457 CB THR A 32 3.421 0.115 -3.705 1.00 0.00 C ATOM 458 OG1 THR A 32 4.290 -1.002 -3.604 1.00 0.00 O ATOM 459 CG2 THR A 32 2.001 -0.400 -3.969 1.00 0.00 C ATOM 0 H THR A 32 5.400 1.514 -3.303 1.00 0.00 H new ATOM 0 HA THR A 32 3.911 0.637 -5.734 1.00 0.00 H new ATOM 0 HB THR A 32 3.358 0.691 -2.782 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.214 -0.690 -3.512 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.707 -1.082 -3.171 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.309 0.441 -4.000 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.976 -0.926 -4.923 1.00 0.00 H new ATOM 467 N PRO A 33 2.372 2.673 -5.787 1.00 0.00 N ATOM 468 CA PRO A 33 1.585 3.892 -5.817 1.00 0.00 C ATOM 469 C PRO A 33 0.558 3.827 -4.689 1.00 0.00 C ATOM 470 O PRO A 33 0.167 2.733 -4.277 1.00 0.00 O ATOM 471 CB PRO A 33 0.913 3.901 -7.192 1.00 0.00 C ATOM 472 CG PRO A 33 0.779 2.414 -7.526 1.00 0.00 C ATOM 473 CD PRO A 33 2.033 1.801 -6.899 1.00 0.00 C ATOM 0 HA PRO A 33 2.174 4.798 -5.673 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.058 4.396 -7.162 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.517 4.427 -7.932 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.131 1.987 -7.105 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.743 2.245 -8.602 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.844 0.783 -6.557 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.848 1.749 -7.621 1.00 0.00 H new ATOM 481 N VAL A 34 0.133 4.976 -4.155 1.00 0.00 N ATOM 482 CA VAL A 34 -0.969 4.940 -3.193 1.00 0.00 C ATOM 483 C VAL A 34 -2.175 4.281 -3.887 1.00 0.00 C ATOM 484 O VAL A 34 -2.394 4.466 -5.084 1.00 0.00 O ATOM 485 CB VAL A 34 -1.342 6.343 -2.685 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.434 6.866 -1.570 1.00 0.00 C ATOM 487 CG2 VAL A 34 -1.363 7.378 -3.812 1.00 0.00 C ATOM 0 H VAL A 34 0.514 5.900 -4.360 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.662 4.368 -2.318 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.343 6.214 -2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.764 7.860 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.483 6.192 -0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.593 6.919 -1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.631 8.353 -3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.376 7.435 -4.272 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.096 7.084 -4.563 1.00 0.00 H new ATOM 497 N GLY A 35 -2.955 3.503 -3.139 1.00 0.00 N ATOM 498 CA GLY A 35 -4.066 2.737 -3.673 1.00 0.00 C ATOM 499 C GLY A 35 -5.150 3.621 -4.291 1.00 0.00 C ATOM 500 O GLY A 35 -5.727 4.469 -3.611 1.00 0.00 O ATOM 0 H GLY A 35 -2.827 3.389 -2.133 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.694 2.044 -4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.504 2.136 -2.876 1.00 0.00 H new ATOM 504 N THR A 36 -5.430 3.425 -5.579 1.00 0.00 N ATOM 505 CA THR A 36 -6.478 4.130 -6.305 1.00 0.00 C ATOM 506 C THR A 36 -7.714 3.227 -6.398 1.00 0.00 C ATOM 507 O THR A 36 -7.687 2.081 -5.947 1.00 0.00 O ATOM 508 CB THR A 36 -5.959 4.575 -7.682 1.00 0.00 C ATOM 509 OG1 THR A 36 -5.524 3.471 -8.446 1.00 0.00 O ATOM 510 CG2 THR A 36 -4.802 5.569 -7.546 1.00 0.00 C ATOM 0 H THR A 36 -4.921 2.756 -6.157 1.00 0.00 H new ATOM 0 HA THR A 36 -6.769 5.037 -5.775 1.00 0.00 H new ATOM 0 HB THR A 36 -6.792 5.060 -8.191 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.740 3.067 -8.020 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.458 5.864 -8.537 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.142 6.451 -7.002 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.982 5.101 -7.002 1.00 0.00 H new ATOM 518 N SER A 37 -8.806 3.753 -6.957 1.00 0.00 N ATOM 519 CA SER A 37 -10.095 3.106 -7.123 1.00 0.00 C ATOM 520 C SER A 37 -10.012 1.605 -7.428 1.00 0.00 C ATOM 521 O SER A 37 -9.590 1.215 -8.514 1.00 0.00 O ATOM 522 CB SER A 37 -10.819 3.852 -8.248 1.00 0.00 C ATOM 523 OG SER A 37 -10.595 5.245 -8.090 1.00 0.00 O ATOM 0 H SER A 37 -8.806 4.703 -7.327 1.00 0.00 H new ATOM 0 HA SER A 37 -10.636 3.159 -6.178 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.453 3.518 -9.219 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.887 3.636 -8.218 1.00 0.00 H new ATOM 0 HG SER A 37 -11.053 5.733 -8.806 1.00 0.00 H new ATOM 529 N GLY A 38 -10.432 0.768 -6.476 1.00 0.00 N ATOM 530 CA GLY A 38 -10.493 -0.675 -6.640 1.00 0.00 C ATOM 531 C GLY A 38 -9.187 -1.412 -6.335 1.00 0.00 C ATOM 532 O GLY A 38 -9.207 -2.638 -6.262 1.00 0.00 O ATOM 0 H GLY A 38 -10.743 1.085 -5.558 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.275 -1.067 -5.990 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.788 -0.898 -7.665 1.00 0.00 H new ATOM 536 N GLU A 39 -8.053 -0.725 -6.153 1.00 0.00 N ATOM 537 CA GLU A 39 -6.810 -1.415 -5.824 1.00 0.00 C ATOM 538 C GLU A 39 -6.876 -1.951 -4.392 1.00 0.00 C ATOM 539 O GLU A 39 -7.528 -1.355 -3.536 1.00 0.00 O ATOM 540 CB GLU A 39 -5.602 -0.488 -6.001 1.00 0.00 C ATOM 541 CG GLU A 39 -5.421 -0.069 -7.465 1.00 0.00 C ATOM 542 CD GLU A 39 -4.067 0.598 -7.684 1.00 0.00 C ATOM 543 OE1 GLU A 39 -3.904 1.729 -7.174 1.00 0.00 O ATOM 544 OE2 GLU A 39 -3.216 -0.034 -8.345 1.00 0.00 O ATOM 0 H GLU A 39 -7.974 0.289 -6.227 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.687 -2.253 -6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.730 0.399 -5.381 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.701 -0.993 -5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.507 -0.944 -8.110 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.218 0.617 -7.751 1.00 0.00 H new ATOM 551 N ASP A 40 -6.204 -3.078 -4.133 1.00 0.00 N ATOM 552 CA ASP A 40 -6.157 -3.695 -2.816 1.00 0.00 C ATOM 553 C ASP A 40 -5.503 -2.733 -1.821 1.00 0.00 C ATOM 554 O ASP A 40 -4.501 -2.100 -2.155 1.00 0.00 O ATOM 555 CB ASP A 40 -5.425 -5.036 -2.890 1.00 0.00 C ATOM 556 CG ASP A 40 -6.174 -6.028 -3.773 1.00 0.00 C ATOM 557 OD1 ASP A 40 -5.905 -6.009 -4.994 1.00 0.00 O ATOM 558 OD2 ASP A 40 -7.015 -6.768 -3.217 1.00 0.00 O ATOM 0 H ASP A 40 -5.675 -3.587 -4.842 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.169 -3.899 -2.465 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.420 -4.883 -3.283 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.316 -5.449 -1.887 1.00 0.00 H new ATOM 563 N CYS A 41 -6.056 -2.626 -0.608 1.00 0.00 N ATOM 564 CA CYS A 41 -5.635 -1.651 0.394 1.00 0.00 C ATOM 565 C CYS A 41 -5.109 -2.260 1.685 1.00 0.00 C ATOM 566 O CYS A 41 -5.303 -3.441 1.977 1.00 0.00 O ATOM 567 CB CYS A 41 -6.778 -0.690 0.705 1.00 0.00 C ATOM 568 SG CYS A 41 -8.199 -1.368 1.574 1.00 0.00 S ATOM 0 H CYS A 41 -6.820 -3.225 -0.294 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.794 -1.119 -0.051 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.378 0.132 1.299 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.127 -0.263 -0.235 1.00 0.00 H new ATOM 573 N HIS A 42 -4.401 -1.425 2.445 1.00 0.00 N ATOM 574 CA HIS A 42 -3.761 -1.765 3.703 1.00 0.00 C ATOM 575 C HIS A 42 -4.632 -1.297 4.872 1.00 0.00 C ATOM 576 O HIS A 42 -4.586 -0.116 5.201 1.00 0.00 O ATOM 577 CB HIS A 42 -2.380 -1.082 3.723 1.00 0.00 C ATOM 578 CG HIS A 42 -1.510 -1.471 4.885 1.00 0.00 C ATOM 579 ND1 HIS A 42 -0.652 -0.566 5.518 1.00 0.00 N ATOM 580 CD2 HIS A 42 -1.364 -2.700 5.461 1.00 0.00 C ATOM 581 CE1 HIS A 42 -0.079 -1.283 6.493 1.00 0.00 C ATOM 582 NE2 HIS A 42 -0.445 -2.574 6.478 1.00 0.00 N ATOM 0 H HIS A 42 -4.255 -0.450 2.183 1.00 0.00 H new ATOM 0 HA HIS A 42 -3.637 -2.843 3.802 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -1.857 -1.321 2.797 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.523 -0.002 3.738 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.876 -3.606 5.172 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.606 -0.866 7.216 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -0.110 -3.313 7.096 1.00 0.00 H new ATOM 590 N PRO A 43 -5.423 -2.158 5.540 1.00 0.00 N ATOM 591 CA PRO A 43 -6.226 -1.719 6.674 1.00 0.00 C ATOM 592 C PRO A 43 -5.408 -1.080 7.803 1.00 0.00 C ATOM 593 O PRO A 43 -5.950 -0.265 8.543 1.00 0.00 O ATOM 594 CB PRO A 43 -6.969 -2.962 7.173 1.00 0.00 C ATOM 595 CG PRO A 43 -6.158 -4.125 6.606 1.00 0.00 C ATOM 596 CD PRO A 43 -5.708 -3.561 5.264 1.00 0.00 C ATOM 0 HA PRO A 43 -6.906 -0.930 6.352 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.007 -2.995 8.262 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.999 -2.982 6.817 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.314 -4.385 7.245 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.760 -5.026 6.490 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.825 -4.080 4.890 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.485 -3.668 4.507 1.00 0.00 H new ATOM 604 N ALA A 44 -4.107 -1.376 7.921 1.00 0.00 N ATOM 605 CA ALA A 44 -3.287 -0.831 8.995 1.00 0.00 C ATOM 606 C ALA A 44 -2.515 0.387 8.474 1.00 0.00 C ATOM 607 O ALA A 44 -1.322 0.538 8.731 1.00 0.00 O ATOM 608 CB ALA A 44 -2.364 -1.932 9.528 1.00 0.00 C ATOM 0 H ALA A 44 -3.605 -1.992 7.281 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.906 -0.491 9.826 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.747 -1.532 10.332 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.965 -2.758 9.908 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.723 -2.291 8.723 1.00 0.00 H new ATOM 614 N SER A 45 -3.207 1.270 7.742 1.00 0.00 N ATOM 615 CA SER A 45 -2.657 2.508 7.231 1.00 0.00 C ATOM 616 C SER A 45 -2.339 3.466 8.376 1.00 0.00 C ATOM 617 O SER A 45 -3.120 4.378 8.630 1.00 0.00 O ATOM 618 CB SER A 45 -3.677 3.162 6.294 1.00 0.00 C ATOM 619 OG SER A 45 -3.752 2.458 5.078 1.00 0.00 O ATOM 0 H SER A 45 -4.185 1.130 7.489 1.00 0.00 H new ATOM 0 HA SER A 45 -1.736 2.289 6.691 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.657 3.182 6.771 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.394 4.197 6.105 1.00 0.00 H new ATOM 0 HG SER A 45 -4.195 1.596 5.226 1.00 0.00 H new ATOM 625 N HIS A 46 -1.193 3.276 9.038 1.00 0.00 N ATOM 626 CA HIS A 46 -0.733 4.175 10.095 1.00 0.00 C ATOM 627 C HIS A 46 -0.856 5.624 9.610 1.00 0.00 C ATOM 628 O HIS A 46 -1.483 6.450 10.265 1.00 0.00 O ATOM 629 CB HIS A 46 0.714 3.855 10.498 1.00 0.00 C ATOM 630 CG HIS A 46 0.872 2.531 11.190 1.00 0.00 C ATOM 631 ND1 HIS A 46 0.909 2.426 12.579 1.00 0.00 N ATOM 632 CD2 HIS A 46 1.021 1.287 10.646 1.00 0.00 C ATOM 633 CE1 HIS A 46 1.067 1.121 12.817 1.00 0.00 C ATOM 634 NE2 HIS A 46 1.139 0.394 11.690 1.00 0.00 N ATOM 0 H HIS A 46 -0.562 2.496 8.855 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.356 4.036 10.979 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.340 3.865 9.606 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.081 4.644 11.155 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.042 1.047 9.593 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.130 0.697 13.808 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.257 -0.617 11.620 1.00 0.00 H new ATOM 642 N LYS A 47 -0.248 5.901 8.449 1.00 0.00 N ATOM 643 CA LYS A 47 -0.223 7.135 7.705 1.00 0.00 C ATOM 644 C LYS A 47 0.696 6.923 6.496 1.00 0.00 C ATOM 645 O LYS A 47 1.226 5.822 6.315 1.00 0.00 O ATOM 646 CB LYS A 47 0.223 8.294 8.600 1.00 0.00 C ATOM 647 CG LYS A 47 1.416 8.068 9.545 1.00 0.00 C ATOM 648 CD LYS A 47 2.785 8.092 8.856 1.00 0.00 C ATOM 649 CE LYS A 47 3.871 8.026 9.940 1.00 0.00 C ATOM 650 NZ LYS A 47 5.213 8.291 9.395 1.00 0.00 N ATOM 0 H LYS A 47 0.291 5.179 7.971 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.217 7.405 7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.465 9.138 7.955 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.631 8.592 9.208 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.400 8.834 10.320 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.291 7.107 10.044 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.880 7.249 8.171 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.896 8.999 8.262 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.647 8.752 10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.858 7.041 10.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.834 7.480 9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.148 8.437 8.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.607 9.144 9.842 1.00 0.00 H new ATOM 664 N ILE A 48 0.849 7.957 5.667 1.00 0.00 N ATOM 665 CA ILE A 48 1.748 8.055 4.527 1.00 0.00 C ATOM 666 C ILE A 48 2.665 9.246 4.835 1.00 0.00 C ATOM 667 O ILE A 48 2.140 10.288 5.228 1.00 0.00 O ATOM 668 CB ILE A 48 0.932 8.357 3.249 1.00 0.00 C ATOM 669 CG1 ILE A 48 0.144 7.140 2.742 1.00 0.00 C ATOM 670 CG2 ILE A 48 1.797 8.936 2.116 1.00 0.00 C ATOM 671 CD1 ILE A 48 1.021 6.101 2.040 1.00 0.00 C ATOM 0 H ILE A 48 0.304 8.810 5.789 1.00 0.00 H new ATOM 0 HA ILE A 48 2.307 7.133 4.366 1.00 0.00 H new ATOM 0 HB ILE A 48 0.213 9.119 3.548 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.363 6.668 3.583 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.629 7.478 2.052 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.173 9.129 1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.255 9.868 2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.577 8.222 1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.402 5.268 1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.508 6.558 1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.778 5.736 2.734 1.00 0.00 H new ATOM 683 N PRO A 49 3.992 9.157 4.654 1.00 0.00 N ATOM 684 CA PRO A 49 4.766 7.958 4.374 1.00 0.00 C ATOM 685 C PRO A 49 5.024 7.222 5.695 1.00 0.00 C ATOM 686 O PRO A 49 5.334 7.854 6.700 1.00 0.00 O ATOM 687 CB PRO A 49 6.076 8.479 3.777 1.00 0.00 C ATOM 688 CG PRO A 49 6.284 9.819 4.484 1.00 0.00 C ATOM 689 CD PRO A 49 4.858 10.325 4.709 1.00 0.00 C ATOM 0 HA PRO A 49 4.267 7.262 3.700 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.903 7.794 3.965 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.003 8.603 2.696 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.821 9.698 5.425 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.864 10.510 3.873 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.772 10.827 5.673 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.579 11.051 3.946 1.00 0.00 H new ATOM 697 N PHE A 50 4.927 5.894 5.708 1.00 0.00 N ATOM 698 CA PHE A 50 5.172 5.074 6.887 1.00 0.00 C ATOM 699 C PHE A 50 6.588 4.516 6.807 1.00 0.00 C ATOM 700 O PHE A 50 6.878 3.661 5.972 1.00 0.00 O ATOM 701 CB PHE A 50 4.165 3.923 6.919 1.00 0.00 C ATOM 702 CG PHE A 50 4.346 2.908 8.031 1.00 0.00 C ATOM 703 CD1 PHE A 50 4.157 3.287 9.373 1.00 0.00 C ATOM 704 CD2 PHE A 50 4.618 1.562 7.718 1.00 0.00 C ATOM 705 CE1 PHE A 50 4.218 2.321 10.393 1.00 0.00 C ATOM 706 CE2 PHE A 50 4.642 0.591 8.734 1.00 0.00 C ATOM 707 CZ PHE A 50 4.450 0.972 10.073 1.00 0.00 C ATOM 0 H PHE A 50 4.671 5.351 4.884 1.00 0.00 H new ATOM 0 HA PHE A 50 5.062 5.672 7.792 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.164 4.346 7.000 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.213 3.398 5.965 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.965 4.321 9.620 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.809 1.275 6.694 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.086 2.616 11.424 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.808 -0.447 8.486 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.481 0.229 10.856 1.00 0.00 H new ATOM 717 N SER A 51 7.475 4.985 7.687 1.00 0.00 N ATOM 718 CA SER A 51 8.860 4.547 7.772 1.00 0.00 C ATOM 719 C SER A 51 8.976 3.145 8.392 1.00 0.00 C ATOM 720 O SER A 51 9.813 2.929 9.270 1.00 0.00 O ATOM 721 CB SER A 51 9.623 5.584 8.606 1.00 0.00 C ATOM 722 OG SER A 51 9.209 6.889 8.244 1.00 0.00 O ATOM 0 H SER A 51 7.238 5.699 8.376 1.00 0.00 H new ATOM 0 HA SER A 51 9.287 4.474 6.772 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.441 5.416 9.667 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.696 5.475 8.446 1.00 0.00 H new ATOM 0 HG SER A 51 9.698 7.548 8.780 1.00 0.00 H new ATOM 728 N GLY A 52 8.165 2.187 7.940 1.00 0.00 N ATOM 729 CA GLY A 52 8.127 0.834 8.464 1.00 0.00 C ATOM 730 C GLY A 52 7.757 -0.150 7.363 1.00 0.00 C ATOM 731 O GLY A 52 7.331 0.242 6.279 1.00 0.00 O ATOM 0 H GLY A 52 7.502 2.342 7.180 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.098 0.572 8.884 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.402 0.771 9.275 1.00 0.00 H new ATOM 735 N GLN A 53 7.929 -1.441 7.649 1.00 0.00 N ATOM 736 CA GLN A 53 7.678 -2.507 6.697 1.00 0.00 C ATOM 737 C GLN A 53 6.183 -2.801 6.614 1.00 0.00 C ATOM 738 O GLN A 53 5.614 -3.375 7.540 1.00 0.00 O ATOM 739 CB GLN A 53 8.448 -3.772 7.126 1.00 0.00 C ATOM 740 CG GLN A 53 9.964 -3.567 7.269 1.00 0.00 C ATOM 741 CD GLN A 53 10.563 -3.023 5.981 1.00 0.00 C ATOM 742 OE1 GLN A 53 10.952 -3.778 5.098 1.00 0.00 O ATOM 743 NE2 GLN A 53 10.594 -1.703 5.846 1.00 0.00 N ATOM 0 H GLN A 53 8.250 -1.772 8.559 1.00 0.00 H new ATOM 0 HA GLN A 53 8.022 -2.195 5.711 1.00 0.00 H new ATOM 0 HB2 GLN A 53 8.048 -4.122 8.078 1.00 0.00 H new ATOM 0 HB3 GLN A 53 8.266 -4.560 6.395 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.166 -2.877 8.088 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.440 -4.513 7.525 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.262 -1.105 6.603 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.950 -1.287 4.986 1.00 0.00 H new ATOM 752 N ARG A 54 5.530 -2.407 5.518 1.00 0.00 N ATOM 753 CA ARG A 54 4.138 -2.768 5.296 1.00 0.00 C ATOM 754 C ARG A 54 4.142 -4.262 4.964 1.00 0.00 C ATOM 755 O ARG A 54 4.354 -4.637 3.814 1.00 0.00 O ATOM 756 CB ARG A 54 3.514 -1.920 4.176 1.00 0.00 C ATOM 757 CG ARG A 54 3.510 -0.430 4.538 1.00 0.00 C ATOM 758 CD ARG A 54 2.847 0.387 3.423 1.00 0.00 C ATOM 759 NE ARG A 54 2.817 1.824 3.746 1.00 0.00 N ATOM 760 CZ ARG A 54 1.935 2.415 4.572 1.00 0.00 C ATOM 761 NH1 ARG A 54 1.012 1.706 5.233 1.00 0.00 N ATOM 762 NH2 ARG A 54 1.968 3.736 4.730 1.00 0.00 N ATOM 0 H ARG A 54 5.945 -1.841 4.777 1.00 0.00 H new ATOM 0 HA ARG A 54 3.524 -2.572 6.175 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.071 -2.070 3.251 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.493 -2.254 3.991 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.976 -0.278 5.476 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.532 -0.084 4.693 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.388 0.235 2.489 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.830 0.028 3.264 1.00 0.00 H new ATOM 0 HE ARG A 54 3.521 2.418 3.308 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.966 0.694 5.116 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.354 2.178 5.854 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.659 4.293 4.227 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.303 4.192 5.354 1.00 0.00 H new ATOM 776 N MET A 55 3.999 -5.115 5.981 1.00 0.00 N ATOM 777 CA MET A 55 4.040 -6.565 5.819 1.00 0.00 C ATOM 778 C MET A 55 2.983 -7.042 4.820 1.00 0.00 C ATOM 779 O MET A 55 3.227 -7.949 4.028 1.00 0.00 O ATOM 780 CB MET A 55 3.842 -7.278 7.166 1.00 0.00 C ATOM 781 CG MET A 55 4.803 -6.818 8.273 1.00 0.00 C ATOM 782 SD MET A 55 4.192 -5.514 9.378 1.00 0.00 S ATOM 783 CE MET A 55 2.947 -6.425 10.321 1.00 0.00 C ATOM 0 H MET A 55 3.851 -4.815 6.944 1.00 0.00 H new ATOM 0 HA MET A 55 5.026 -6.818 5.430 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.817 -7.118 7.501 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.965 -8.351 7.017 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.066 -7.685 8.879 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.722 -6.466 7.804 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.606 -5.815 11.158 1.00 0.00 H new ATOM 0 HE2 MET A 55 2.101 -6.660 9.675 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.382 -7.350 10.699 1.00 0.00 H new ATOM 793 N HIS A 56 1.793 -6.442 4.890 1.00 0.00 N ATOM 794 CA HIS A 56 0.683 -6.773 4.014 1.00 0.00 C ATOM 795 C HIS A 56 1.066 -6.432 2.578 1.00 0.00 C ATOM 796 O HIS A 56 1.692 -5.402 2.339 1.00 0.00 O ATOM 797 CB HIS A 56 -0.555 -5.943 4.375 1.00 0.00 C ATOM 798 CG HIS A 56 -1.131 -6.113 5.762 1.00 0.00 C ATOM 799 ND1 HIS A 56 -2.513 -6.152 5.954 1.00 0.00 N ATOM 800 CD2 HIS A 56 -0.523 -6.094 6.992 1.00 0.00 C ATOM 801 CE1 HIS A 56 -2.681 -6.195 7.278 1.00 0.00 C ATOM 802 NE2 HIS A 56 -1.518 -6.169 7.945 1.00 0.00 N ATOM 0 H HIS A 56 1.578 -5.707 5.564 1.00 0.00 H new ATOM 0 HA HIS A 56 0.460 -7.834 4.124 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.304 -4.891 4.242 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.339 -6.178 3.655 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.539 -6.032 7.180 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -3.647 -6.245 7.759 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.393 -6.199 8.957 1.00 0.00 H new ATOM 810 N HIS A 57 0.625 -7.236 1.608 1.00 0.00 N ATOM 811 CA HIS A 57 0.935 -6.983 0.207 1.00 0.00 C ATOM 812 C HIS A 57 0.046 -5.876 -0.388 1.00 0.00 C ATOM 813 O HIS A 57 -0.475 -6.018 -1.493 1.00 0.00 O ATOM 814 CB HIS A 57 0.860 -8.294 -0.592 1.00 0.00 C ATOM 815 CG HIS A 57 1.832 -8.222 -1.732 1.00 0.00 C ATOM 816 ND1 HIS A 57 2.187 -6.985 -2.248 1.00 0.00 N ATOM 817 CD2 HIS A 57 2.701 -9.162 -2.211 1.00 0.00 C ATOM 818 CE1 HIS A 57 3.300 -7.211 -2.920 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.671 -8.498 -2.923 1.00 0.00 N ATOM 0 H HIS A 57 0.054 -8.065 1.771 1.00 0.00 H new ATOM 0 HA HIS A 57 1.957 -6.609 0.140 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.095 -9.142 0.051 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.151 -8.450 -0.968 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.637 -10.229 -2.058 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.858 -6.433 -3.420 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.499 -8.901 -3.362 1.00 0.00 H new ATOM 827 N THR A 58 -0.215 -4.812 0.375 1.00 0.00 N ATOM 828 CA THR A 58 -1.057 -3.700 -0.037 1.00 0.00 C ATOM 829 C THR A 58 -0.494 -2.379 0.490 1.00 0.00 C ATOM 830 O THR A 58 0.512 -2.373 1.200 1.00 0.00 O ATOM 831 CB THR A 58 -2.496 -3.959 0.429 1.00 0.00 C ATOM 832 OG1 THR A 58 -2.570 -4.034 1.835 1.00 0.00 O ATOM 833 CG2 THR A 58 -3.044 -5.276 -0.117 1.00 0.00 C ATOM 0 H THR A 58 0.164 -4.703 1.316 1.00 0.00 H new ATOM 0 HA THR A 58 -1.068 -3.619 -1.124 1.00 0.00 H new ATOM 0 HB THR A 58 -3.085 -3.123 0.053 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.291 -4.646 2.092 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.065 -5.420 0.237 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.038 -5.249 -1.207 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.420 -6.101 0.228 1.00 0.00 H new ATOM 841 N CYS A 59 -1.152 -1.259 0.165 1.00 0.00 N ATOM 842 CA CYS A 59 -0.771 0.071 0.624 1.00 0.00 C ATOM 843 C CYS A 59 -1.993 0.880 1.047 1.00 0.00 C ATOM 844 O CYS A 59 -3.120 0.452 0.795 1.00 0.00 O ATOM 845 CB CYS A 59 -0.075 0.802 -0.517 1.00 0.00 C ATOM 846 SG CYS A 59 1.715 0.734 -0.400 1.00 0.00 S ATOM 0 H CYS A 59 -1.977 -1.258 -0.435 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.109 -0.036 1.483 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.389 0.367 -1.466 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -0.395 1.844 -0.523 1.00 0.00 H new ATOM 851 N PRO A 60 -1.802 2.035 1.707 1.00 0.00 N ATOM 852 CA PRO A 60 -2.903 2.923 2.013 1.00 0.00 C ATOM 853 C PRO A 60 -3.538 3.433 0.730 1.00 0.00 C ATOM 854 O PRO A 60 -2.964 3.331 -0.355 1.00 0.00 O ATOM 855 CB PRO A 60 -2.312 4.097 2.793 1.00 0.00 C ATOM 856 CG PRO A 60 -1.052 3.501 3.403 1.00 0.00 C ATOM 857 CD PRO A 60 -0.578 2.517 2.325 1.00 0.00 C ATOM 0 HA PRO A 60 -3.672 2.407 2.588 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.085 4.941 2.142 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.998 4.460 3.558 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.303 4.266 3.609 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.260 2.996 4.346 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.068 3.007 1.597 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.004 1.699 2.760 1.00 0.00 H new ATOM 865 N CYS A 61 -4.716 4.024 0.879 1.00 0.00 N ATOM 866 CA CYS A 61 -5.469 4.567 -0.235 1.00 0.00 C ATOM 867 C CYS A 61 -5.040 6.004 -0.488 1.00 0.00 C ATOM 868 O CYS A 61 -4.608 6.697 0.433 1.00 0.00 O ATOM 869 CB CYS A 61 -6.965 4.466 0.054 1.00 0.00 C ATOM 870 SG CYS A 61 -7.556 2.771 0.201 1.00 0.00 S ATOM 0 H CYS A 61 -5.175 4.139 1.782 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.265 3.991 -1.138 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.185 5.001 0.978 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.515 4.966 -0.743 1.00 0.00 H new ATOM 875 N ALA A 62 -5.136 6.453 -1.740 1.00 0.00 N ATOM 876 CA ALA A 62 -4.761 7.809 -2.087 1.00 0.00 C ATOM 877 C ALA A 62 -5.622 8.789 -1.287 1.00 0.00 C ATOM 878 O ALA A 62 -6.836 8.589 -1.248 1.00 0.00 O ATOM 879 CB ALA A 62 -4.915 8.058 -3.577 1.00 0.00 C ATOM 0 H ALA A 62 -5.471 5.893 -2.524 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.710 7.959 -1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.626 9.084 -3.806 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.276 7.369 -4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.954 7.900 -3.867 1.00 0.00 H new ATOM 885 N PRO A 63 -5.010 9.810 -0.660 1.00 0.00 N ATOM 886 CA PRO A 63 -5.640 10.825 0.181 1.00 0.00 C ATOM 887 C PRO A 63 -6.963 11.403 -0.327 1.00 0.00 C ATOM 888 O PRO A 63 -7.035 12.520 -0.833 1.00 0.00 O ATOM 889 CB PRO A 63 -4.563 11.885 0.401 1.00 0.00 C ATOM 890 CG PRO A 63 -3.328 10.998 0.520 1.00 0.00 C ATOM 891 CD PRO A 63 -3.564 9.931 -0.547 1.00 0.00 C ATOM 0 HA PRO A 63 -5.972 10.365 1.112 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.493 12.585 -0.431 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.739 12.475 1.300 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.411 11.557 0.335 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.240 10.561 1.515 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.119 10.222 -1.498 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.112 8.982 -0.260 1.00 0.00 H new ATOM 899 N ASN A 64 -8.010 10.611 -0.121 1.00 0.00 N ATOM 900 CA ASN A 64 -9.406 10.822 -0.479 1.00 0.00 C ATOM 901 C ASN A 64 -10.123 9.483 -0.322 1.00 0.00 C ATOM 902 O ASN A 64 -11.082 9.376 0.436 1.00 0.00 O ATOM 903 CB ASN A 64 -9.560 11.339 -1.922 1.00 0.00 C ATOM 904 CG ASN A 64 -10.927 11.008 -2.517 1.00 0.00 C ATOM 905 OD1 ASN A 64 -11.023 10.335 -3.538 1.00 0.00 O ATOM 906 ND2 ASN A 64 -11.979 11.454 -1.850 1.00 0.00 N ATOM 0 H ASN A 64 -7.888 9.714 0.349 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.837 11.582 0.173 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.413 12.419 -1.936 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.780 10.903 -2.546 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.920 11.241 -2.181 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.849 12.011 -1.005 1.00 0.00 H new ATOM 913 N LEU A 65 -9.638 8.463 -1.033 1.00 0.00 N ATOM 914 CA LEU A 65 -10.251 7.144 -1.028 1.00 0.00 C ATOM 915 C LEU A 65 -10.079 6.485 0.342 1.00 0.00 C ATOM 916 O LEU A 65 -9.132 6.789 1.067 1.00 0.00 O ATOM 917 CB LEU A 65 -9.663 6.271 -2.145 1.00 0.00 C ATOM 918 CG LEU A 65 -10.092 6.714 -3.554 1.00 0.00 C ATOM 919 CD1 LEU A 65 -9.051 7.638 -4.198 1.00 0.00 C ATOM 920 CD2 LEU A 65 -10.255 5.480 -4.445 1.00 0.00 C ATOM 0 H LEU A 65 -8.811 8.533 -1.626 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.319 7.252 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.575 6.294 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.970 5.237 -1.988 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.032 7.257 -3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.389 7.930 -5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.924 8.528 -3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.099 7.113 -4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.559 5.791 -5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.307 4.946 -4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.015 4.824 -4.022 1.00 0.00 H new ATOM 932 N ALA A 66 -10.993 5.573 0.685 1.00 0.00 N ATOM 933 CA ALA A 66 -11.014 4.864 1.956 1.00 0.00 C ATOM 934 C ALA A 66 -10.762 3.373 1.740 1.00 0.00 C ATOM 935 O ALA A 66 -11.262 2.789 0.778 1.00 0.00 O ATOM 936 CB ALA A 66 -12.373 5.084 2.625 1.00 0.00 C ATOM 0 H ALA A 66 -11.757 5.304 0.065 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.224 5.249 2.600 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.399 4.556 3.579 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.526 6.150 2.796 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.163 4.703 1.978 1.00 0.00 H new ATOM 942 N CYS A 67 -9.994 2.757 2.644 1.00 0.00 N ATOM 943 CA CYS A 67 -9.706 1.329 2.610 1.00 0.00 C ATOM 944 C CYS A 67 -10.913 0.601 3.191 1.00 0.00 C ATOM 945 O CYS A 67 -11.243 0.838 4.352 1.00 0.00 O ATOM 946 CB CYS A 67 -8.457 1.025 3.451 1.00 0.00 C ATOM 947 SG CYS A 67 -8.014 -0.725 3.537 1.00 0.00 S ATOM 0 H CYS A 67 -9.553 3.244 3.424 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.517 1.002 1.588 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.614 1.580 3.039 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.618 1.396 4.463 1.00 0.00 H new ATOM 952 N VAL A 68 -11.593 -0.244 2.408 1.00 0.00 N ATOM 953 CA VAL A 68 -12.805 -0.914 2.861 1.00 0.00 C ATOM 954 C VAL A 68 -12.878 -2.365 2.398 1.00 0.00 C ATOM 955 O VAL A 68 -12.292 -2.763 1.393 1.00 0.00 O ATOM 956 CB VAL A 68 -14.042 -0.098 2.449 1.00 0.00 C ATOM 957 CG1 VAL A 68 -14.116 0.133 0.935 1.00 0.00 C ATOM 958 CG2 VAL A 68 -15.367 -0.697 2.940 1.00 0.00 C ATOM 0 H VAL A 68 -11.318 -0.477 1.454 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.780 -0.962 3.950 1.00 0.00 H new ATOM 0 HB VAL A 68 -13.908 0.862 2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.008 0.714 0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -13.231 0.677 0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.162 -0.828 0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.194 -0.068 2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -15.488 -1.699 2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -15.361 -0.750 4.029 1.00 0.00 H new ATOM 968 N GLN A 69 -13.600 -3.162 3.181 1.00 0.00 N ATOM 969 CA GLN A 69 -13.849 -4.562 2.915 1.00 0.00 C ATOM 970 C GLN A 69 -14.827 -4.745 1.758 1.00 0.00 C ATOM 971 O GLN A 69 -15.929 -4.203 1.783 1.00 0.00 O ATOM 972 CB GLN A 69 -14.426 -5.198 4.184 1.00 0.00 C ATOM 973 CG GLN A 69 -13.307 -5.732 5.080 1.00 0.00 C ATOM 974 CD GLN A 69 -12.991 -7.174 4.693 1.00 0.00 C ATOM 975 OE1 GLN A 69 -13.782 -8.070 4.966 1.00 0.00 O ATOM 976 NE2 GLN A 69 -11.890 -7.418 3.991 1.00 0.00 N ATOM 0 H GLN A 69 -14.038 -2.834 4.042 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.912 -5.042 2.634 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -15.015 -4.461 4.730 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -15.101 -6.010 3.915 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -12.416 -5.113 4.976 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.609 -5.683 6.126 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.245 -6.659 3.774 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -11.690 -8.365 3.669 1.00 0.00 H new ATOM 985 N THR A 70 -14.422 -5.545 0.773 1.00 0.00 N ATOM 986 CA THR A 70 -15.266 -5.968 -0.337 1.00 0.00 C ATOM 987 C THR A 70 -15.773 -7.382 -0.025 1.00 0.00 C ATOM 988 O THR A 70 -16.898 -7.743 -0.370 1.00 0.00 O ATOM 989 CB THR A 70 -14.501 -5.884 -1.665 1.00 0.00 C ATOM 990 OG1 THR A 70 -13.337 -6.682 -1.650 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.096 -4.439 -1.969 1.00 0.00 C ATOM 0 H THR A 70 -13.476 -5.924 0.726 1.00 0.00 H new ATOM 0 HA THR A 70 -16.124 -5.306 -0.452 1.00 0.00 H new ATOM 0 HB THR A 70 -15.175 -6.253 -2.438 1.00 0.00 H new ATOM 0 HG1 THR A 70 -12.826 -6.500 -0.834 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.555 -4.404 -2.915 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.989 -3.818 -2.038 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.455 -4.065 -1.171 1.00 0.00 H new ATOM 999 N SER A 71 -14.942 -8.193 0.638 1.00 0.00 N ATOM 1000 CA SER A 71 -15.247 -9.530 1.129 1.00 0.00 C ATOM 1001 C SER A 71 -14.180 -9.836 2.189 1.00 0.00 C ATOM 1002 O SER A 71 -13.166 -9.135 2.213 1.00 0.00 O ATOM 1003 CB SER A 71 -15.217 -10.566 -0.009 1.00 0.00 C ATOM 1004 OG SER A 71 -15.646 -10.029 -1.245 1.00 0.00 O ATOM 0 H SER A 71 -13.986 -7.913 0.856 1.00 0.00 H new ATOM 0 HA SER A 71 -16.252 -9.579 1.549 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.203 -10.952 -0.117 1.00 0.00 H new ATOM 0 HB3 SER A 71 -15.853 -11.410 0.256 1.00 0.00 H new ATOM 0 HG SER A 71 -15.607 -10.724 -1.935 1.00 0.00 H new ATOM 1010 N PRO A 72 -14.375 -10.849 3.049 1.00 0.00 N ATOM 1011 CA PRO A 72 -13.399 -11.261 4.050 1.00 0.00 C ATOM 1012 C PRO A 72 -11.982 -11.254 3.474 1.00 0.00 C ATOM 1013 O PRO A 72 -11.756 -11.823 2.407 1.00 0.00 O ATOM 1014 CB PRO A 72 -13.847 -12.658 4.487 1.00 0.00 C ATOM 1015 CG PRO A 72 -15.368 -12.559 4.368 1.00 0.00 C ATOM 1016 CD PRO A 72 -15.561 -11.685 3.127 1.00 0.00 C ATOM 0 HA PRO A 72 -13.360 -10.578 4.899 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.438 -13.437 3.844 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.532 -12.887 5.505 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.828 -13.540 4.246 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -15.813 -12.106 5.254 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.670 -12.296 2.231 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -16.463 -11.079 3.211 1.00 0.00 H new ATOM 1024 N LYS A 73 -11.059 -10.528 4.117 1.00 0.00 N ATOM 1025 CA LYS A 73 -9.668 -10.354 3.701 1.00 0.00 C ATOM 1026 C LYS A 73 -9.526 -9.422 2.485 1.00 0.00 C ATOM 1027 O LYS A 73 -8.581 -8.636 2.420 1.00 0.00 O ATOM 1028 CB LYS A 73 -8.979 -11.712 3.485 1.00 0.00 C ATOM 1029 CG LYS A 73 -7.454 -11.579 3.556 1.00 0.00 C ATOM 1030 CD LYS A 73 -6.793 -12.942 3.314 1.00 0.00 C ATOM 1031 CE LYS A 73 -5.263 -12.841 3.295 1.00 0.00 C ATOM 1032 NZ LYS A 73 -4.720 -12.411 4.596 1.00 0.00 N ATOM 0 H LYS A 73 -11.274 -10.025 4.978 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.148 -9.853 4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.320 -12.420 4.240 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.266 -12.118 2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.109 -10.862 2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.160 -11.192 4.532 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.101 -13.638 4.094 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.142 -13.351 2.366 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.839 -13.809 3.028 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.956 -12.135 2.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.681 -12.437 4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.036 -11.441 4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.060 -13.050 5.342 1.00 0.00 H new ATOM 1046 N LYS A 74 -10.451 -9.490 1.523 1.00 0.00 N ATOM 1047 CA LYS A 74 -10.445 -8.651 0.336 1.00 0.00 C ATOM 1048 C LYS A 74 -10.734 -7.194 0.711 1.00 0.00 C ATOM 1049 O LYS A 74 -11.870 -6.720 0.644 1.00 0.00 O ATOM 1050 CB LYS A 74 -11.439 -9.174 -0.709 1.00 0.00 C ATOM 1051 CG LYS A 74 -11.192 -10.642 -1.070 1.00 0.00 C ATOM 1052 CD LYS A 74 -12.055 -11.008 -2.285 1.00 0.00 C ATOM 1053 CE LYS A 74 -11.975 -12.504 -2.614 1.00 0.00 C ATOM 1054 NZ LYS A 74 -12.561 -13.338 -1.549 1.00 0.00 N ATOM 0 H LYS A 74 -11.235 -10.142 1.554 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.452 -8.690 -0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.454 -9.063 -0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.368 -8.565 -1.610 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.138 -10.802 -1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.439 -11.285 -0.225 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.092 -10.734 -2.089 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.730 -10.428 -3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.495 -12.697 -3.552 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.933 -12.787 -2.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.672 -14.313 -1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.934 -13.333 -0.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.491 -12.957 -1.282 1.00 0.00 H new ATOM 1068 N PHE A 75 -9.675 -6.476 1.069 1.00 0.00 N ATOM 1069 CA PHE A 75 -9.691 -5.070 1.436 1.00 0.00 C ATOM 1070 C PHE A 75 -9.266 -4.271 0.207 1.00 0.00 C ATOM 1071 O PHE A 75 -8.155 -4.478 -0.277 1.00 0.00 O ATOM 1072 CB PHE A 75 -8.675 -4.851 2.568 1.00 0.00 C ATOM 1073 CG PHE A 75 -9.245 -4.971 3.961 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -9.912 -3.869 4.526 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -8.954 -6.097 4.751 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -10.278 -3.887 5.881 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -9.342 -6.125 6.100 1.00 0.00 C ATOM 1078 CZ PHE A 75 -10.009 -5.024 6.666 1.00 0.00 C ATOM 0 H PHE A 75 -8.740 -6.880 1.112 1.00 0.00 H new ATOM 0 HA PHE A 75 -10.680 -4.756 1.770 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.867 -5.574 2.457 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.234 -3.861 2.455 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.143 -3.008 3.916 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.433 -6.939 4.321 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -10.765 -3.029 6.321 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.128 -6.994 6.704 1.00 0.00 H new ATOM 0 HZ PHE A 75 -10.314 -5.051 7.702 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.120 -3.370 -0.300 1.00 0.00 N ATOM 1089 CA LYS A 76 -9.823 -2.552 -1.474 1.00 0.00 C ATOM 1090 C LYS A 76 -10.161 -1.078 -1.231 1.00 0.00 C ATOM 1091 O LYS A 76 -10.911 -0.742 -0.314 1.00 0.00 O ATOM 1092 CB LYS A 76 -10.525 -3.101 -2.727 1.00 0.00 C ATOM 1093 CG LYS A 76 -10.361 -4.622 -2.877 1.00 0.00 C ATOM 1094 CD LYS A 76 -10.591 -5.044 -4.333 1.00 0.00 C ATOM 1095 CE LYS A 76 -10.598 -6.568 -4.494 1.00 0.00 C ATOM 1096 NZ LYS A 76 -11.874 -7.160 -4.055 1.00 0.00 N ATOM 0 H LYS A 76 -11.041 -3.191 0.099 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.749 -2.608 -1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.586 -2.856 -2.681 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.122 -2.607 -3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.362 -4.919 -2.559 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.069 -5.136 -2.227 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.540 -4.638 -4.683 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.810 -4.616 -4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.419 -6.824 -5.538 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.780 -6.998 -3.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.772 -8.193 -3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.134 -6.775 -3.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.618 -6.931 -4.744 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.582 -0.191 -2.044 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.763 1.250 -1.929 1.00 0.00 C ATOM 1112 C CYS A 77 -11.031 1.668 -2.647 1.00 0.00 C ATOM 1113 O CYS A 77 -11.144 1.424 -3.849 1.00 0.00 O ATOM 1114 CB CYS A 77 -8.582 1.998 -2.561 1.00 0.00 C ATOM 1115 SG CYS A 77 -7.047 1.922 -1.629 1.00 0.00 S ATOM 0 H CYS A 77 -8.966 -0.462 -2.810 1.00 0.00 H new ATOM 0 HA CYS A 77 -9.826 1.498 -0.869 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.405 1.592 -3.557 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.860 3.044 -2.689 1.00 0.00 H new ATOM 1120 N LEU A 78 -11.965 2.313 -1.944 1.00 0.00 N ATOM 1121 CA LEU A 78 -13.189 2.813 -2.556 1.00 0.00 C ATOM 1122 C LEU A 78 -13.338 4.311 -2.345 1.00 0.00 C ATOM 1123 O LEU A 78 -12.686 4.926 -1.500 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.399 2.018 -2.061 1.00 0.00 C ATOM 1125 CG LEU A 78 -15.694 2.120 -2.887 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -15.477 1.710 -4.353 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -16.725 1.174 -2.260 1.00 0.00 C ATOM 0 H LEU A 78 -11.892 2.500 -0.944 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.129 2.663 -3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.114 0.967 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.621 2.340 -1.044 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.032 3.156 -2.878 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.417 1.797 -4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.732 2.363 -4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -15.128 0.678 -4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.656 1.224 -2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.343 0.154 -2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.911 1.471 -1.228 1.00 0.00 H new ATOM 1139 N SER A 79 -14.197 4.872 -3.185 1.00 0.00 N ATOM 1140 CA SER A 79 -14.510 6.285 -3.290 1.00 0.00 C ATOM 1141 C SER A 79 -15.077 6.859 -1.990 1.00 0.00 C ATOM 1142 O SER A 79 -15.666 6.132 -1.190 1.00 0.00 O ATOM 1143 CB SER A 79 -15.519 6.456 -4.430 1.00 0.00 C ATOM 1144 OG SER A 79 -15.200 5.567 -5.490 1.00 0.00 O ATOM 0 H SER A 79 -14.727 4.313 -3.854 1.00 0.00 H new ATOM 0 HA SER A 79 -13.591 6.835 -3.491 1.00 0.00 H new ATOM 0 HB2 SER A 79 -16.528 6.258 -4.068 1.00 0.00 H new ATOM 0 HB3 SER A 79 -15.505 7.485 -4.789 1.00 0.00 H new ATOM 0 HG SER A 79 -15.848 5.678 -6.216 1.00 0.00 H new ATOM 1150 N LYS A 80 -14.932 8.172 -1.818 1.00 0.00 N ATOM 1151 CA LYS A 80 -15.401 8.965 -0.702 1.00 0.00 C ATOM 1152 C LYS A 80 -15.272 10.412 -1.189 1.00 0.00 C ATOM 1153 O LYS A 80 -14.505 10.596 -2.167 1.00 0.00 O ATOM 1154 CB LYS A 80 -14.529 8.673 0.529 1.00 0.00 C ATOM 1155 CG LYS A 80 -14.898 9.528 1.745 1.00 0.00 C ATOM 1156 CD LYS A 80 -13.996 9.164 2.929 1.00 0.00 C ATOM 1157 CE LYS A 80 -14.307 10.062 4.131 1.00 0.00 C ATOM 1158 NZ LYS A 80 -13.428 9.750 5.271 1.00 0.00 N ATOM 1159 OXT LYS A 80 -15.936 11.292 -0.604 1.00 0.00 O ATOM 0 H LYS A 80 -14.447 8.743 -2.510 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.426 8.748 -0.400 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.623 7.619 0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.483 8.846 0.275 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.788 10.585 1.504 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.943 9.368 2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.144 8.119 3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.949 9.275 2.645 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.183 11.108 3.849 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.348 9.932 4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.661 10.373 6.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.565 8.759 5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.436 9.897 4.995 1.00 0.00 H new TER 1173 LYS A 80