USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 536 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 48 ASN : amide:sc= -0.0665 K(o=-2.3,f=-9.5!) USER MOD Set 1.2: A 77 SER OG : rot -101:sc= -2.25! USER MOD Set 2.1: A 22 ASN : amide:sc= -2.7! C(o=-4!,f=-3.4!) USER MOD Set 2.2: A 25 HIS : no HE2:sc= -1.28! C(o=-4!,f=-12!) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0472 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 6:sc= 0.493 USER MOD Single : A 6 SER OG : rot -51:sc= 0.531 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.988 USER MOD Single : A 19 GLN : amide:sc= -4.24! K(o=-4.2!,f=-2.6) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0243 X(o=-0.024,f=-0.061) USER MOD Single : A 27 MET CE :methyl -157:sc= -0.647 (180deg=-1.42) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -174:sc= -4.14! USER MOD Single : A 56 HIS : no HE2:sc= -4.85! C(o=-4.9!,f=-7.6!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -169:sc= 0 (180deg=-0.147) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0284 X(o=-0.028,f=-0.013) USER MOD Single : A 73 HIS : no HD1:sc= -4.49! C(o=-4.5!,f=-4.4!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.486 18.045 30.629 1.00 0.00 N ATOM 2 CA GLY A 1 -13.141 18.298 29.359 1.00 0.00 C ATOM 3 C GLY A 1 -12.611 19.541 28.671 1.00 0.00 C ATOM 4 O GLY A 1 -12.075 20.438 29.322 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.909 17.183 30.556 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.875 18.851 30.871 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.204 17.919 31.371 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.003 17.437 28.705 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.213 18.406 29.522 1.00 0.00 H new ATOM 8 N SER A 2 -12.760 19.594 27.351 1.00 0.00 N ATOM 9 CA SER A 2 -12.287 20.734 26.574 1.00 0.00 C ATOM 10 C SER A 2 -13.344 21.182 25.569 1.00 0.00 C ATOM 11 O SER A 2 -14.370 20.525 25.396 1.00 0.00 O ATOM 12 CB SER A 2 -10.991 20.378 25.843 1.00 0.00 C ATOM 13 OG SER A 2 -10.206 21.533 25.605 1.00 0.00 O ATOM 0 H SER A 2 -13.204 18.861 26.798 1.00 0.00 H new ATOM 0 HA SER A 2 -12.093 21.556 27.263 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.421 19.662 26.435 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.226 19.892 24.896 1.00 0.00 H new ATOM 0 HG SER A 2 -9.383 21.278 25.138 1.00 0.00 H new ATOM 19 N SER A 3 -13.085 22.307 24.910 1.00 0.00 N ATOM 20 CA SER A 3 -14.015 22.846 23.925 1.00 0.00 C ATOM 21 C SER A 3 -13.304 23.130 22.605 1.00 0.00 C ATOM 22 O SER A 3 -12.234 23.736 22.581 1.00 0.00 O ATOM 23 CB SER A 3 -14.664 24.127 24.453 1.00 0.00 C ATOM 24 OG SER A 3 -15.811 23.834 25.232 1.00 0.00 O ATOM 0 H SER A 3 -12.239 22.862 25.040 1.00 0.00 H new ATOM 0 HA SER A 3 -14.790 22.100 23.747 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.944 24.682 25.055 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.943 24.769 23.617 1.00 0.00 H new ATOM 0 HG SER A 3 -16.206 24.669 25.559 1.00 0.00 H new ATOM 30 N GLY A 4 -13.909 22.686 21.507 1.00 0.00 N ATOM 31 CA GLY A 4 -13.320 22.900 20.198 1.00 0.00 C ATOM 32 C GLY A 4 -14.059 22.158 19.101 1.00 0.00 C ATOM 33 O GLY A 4 -13.791 20.983 18.849 1.00 0.00 O ATOM 0 H GLY A 4 -14.796 22.182 21.501 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.319 23.967 19.974 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.279 22.576 20.214 1.00 0.00 H new ATOM 37 N SER A 5 -14.992 22.843 18.450 1.00 0.00 N ATOM 38 CA SER A 5 -15.776 22.240 17.378 1.00 0.00 C ATOM 39 C SER A 5 -16.359 23.311 16.462 1.00 0.00 C ATOM 40 O SER A 5 -16.156 24.506 16.678 1.00 0.00 O ATOM 41 CB SER A 5 -16.901 21.383 17.961 1.00 0.00 C ATOM 42 OG SER A 5 -16.383 20.246 18.630 1.00 0.00 O ATOM 0 H SER A 5 -15.224 23.817 18.646 1.00 0.00 H new ATOM 0 HA SER A 5 -15.113 21.606 16.789 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.493 21.979 18.656 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.571 21.065 17.162 1.00 0.00 H new ATOM 0 HG SER A 5 -15.405 20.299 18.656 1.00 0.00 H new ATOM 48 N SER A 6 -17.085 22.874 15.438 1.00 0.00 N ATOM 49 CA SER A 6 -17.696 23.794 14.486 1.00 0.00 C ATOM 50 C SER A 6 -16.630 24.597 13.747 1.00 0.00 C ATOM 51 O SER A 6 -16.726 25.818 13.630 1.00 0.00 O ATOM 52 CB SER A 6 -18.657 24.742 15.205 1.00 0.00 C ATOM 53 OG SER A 6 -19.325 25.587 14.284 1.00 0.00 O ATOM 0 H SER A 6 -17.264 21.888 15.246 1.00 0.00 H new ATOM 0 HA SER A 6 -18.254 23.206 13.757 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.389 24.164 15.769 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.105 25.347 15.924 1.00 0.00 H new ATOM 0 HG SER A 6 -18.667 26.017 13.698 1.00 0.00 H new ATOM 59 N GLY A 7 -15.613 23.901 13.248 1.00 0.00 N ATOM 60 CA GLY A 7 -14.542 24.564 12.527 1.00 0.00 C ATOM 61 C GLY A 7 -14.753 24.540 11.026 1.00 0.00 C ATOM 62 O GLY A 7 -15.841 24.847 10.540 1.00 0.00 O ATOM 0 H GLY A 7 -15.512 22.889 13.330 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.467 25.598 12.864 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.594 24.081 12.765 1.00 0.00 H new ATOM 66 N MET A 8 -13.709 24.175 10.289 1.00 0.00 N ATOM 67 CA MET A 8 -13.785 24.112 8.834 1.00 0.00 C ATOM 68 C MET A 8 -13.773 22.665 8.351 1.00 0.00 C ATOM 69 O MET A 8 -13.657 21.735 9.149 1.00 0.00 O ATOM 70 CB MET A 8 -12.619 24.880 8.208 1.00 0.00 C ATOM 71 CG MET A 8 -11.285 24.160 8.323 1.00 0.00 C ATOM 72 SD MET A 8 -9.893 25.195 7.831 1.00 0.00 S ATOM 73 CE MET A 8 -8.534 24.043 8.013 1.00 0.00 C ATOM 0 H MET A 8 -12.801 23.918 10.675 1.00 0.00 H new ATOM 0 HA MET A 8 -14.723 24.572 8.524 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.836 25.059 7.155 1.00 0.00 H new ATOM 0 HB3 MET A 8 -12.538 25.856 8.687 1.00 0.00 H new ATOM 0 HG2 MET A 8 -11.142 23.830 9.352 1.00 0.00 H new ATOM 0 HG3 MET A 8 -11.305 23.265 7.701 1.00 0.00 H new ATOM 0 HE1 MET A 8 -7.600 24.537 7.744 1.00 0.00 H new ATOM 0 HE2 MET A 8 -8.481 23.704 9.047 1.00 0.00 H new ATOM 0 HE3 MET A 8 -8.693 23.186 7.358 1.00 0.00 H new ATOM 83 N ALA A 9 -13.895 22.482 7.041 1.00 0.00 N ATOM 84 CA ALA A 9 -13.897 21.149 6.452 1.00 0.00 C ATOM 85 C ALA A 9 -12.478 20.686 6.136 1.00 0.00 C ATOM 86 O ALA A 9 -11.696 21.420 5.530 1.00 0.00 O ATOM 87 CB ALA A 9 -14.753 21.128 5.195 1.00 0.00 C ATOM 0 H ALA A 9 -13.994 23.241 6.367 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.323 20.458 7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -14.745 20.126 4.766 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -15.776 21.407 5.447 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -14.352 21.836 4.470 1.00 0.00 H new ATOM 93 N LEU A 10 -12.153 19.466 6.549 1.00 0.00 N ATOM 94 CA LEU A 10 -10.828 18.906 6.311 1.00 0.00 C ATOM 95 C LEU A 10 -10.927 17.470 5.806 1.00 0.00 C ATOM 96 O LEU A 10 -11.418 16.586 6.508 1.00 0.00 O ATOM 97 CB LEU A 10 -9.994 18.952 7.592 1.00 0.00 C ATOM 98 CG LEU A 10 -9.739 20.341 8.178 1.00 0.00 C ATOM 99 CD1 LEU A 10 -10.874 20.747 9.105 1.00 0.00 C ATOM 100 CD2 LEU A 10 -8.408 20.373 8.915 1.00 0.00 C ATOM 0 H LEU A 10 -12.789 18.846 7.050 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.339 19.508 5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.493 18.347 8.349 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.031 18.482 7.392 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.695 21.057 7.358 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.674 21.738 9.512 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.810 20.766 8.547 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.952 20.029 9.921 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.243 21.369 9.325 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.423 19.645 9.726 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.603 20.128 8.222 1.00 0.00 H new ATOM 112 N VAL A 11 -10.454 17.243 4.584 1.00 0.00 N ATOM 113 CA VAL A 11 -10.486 15.914 3.987 1.00 0.00 C ATOM 114 C VAL A 11 -10.297 14.831 5.043 1.00 0.00 C ATOM 115 O VAL A 11 -9.358 14.863 5.839 1.00 0.00 O ATOM 116 CB VAL A 11 -9.398 15.757 2.907 1.00 0.00 C ATOM 117 CG1 VAL A 11 -8.096 16.398 3.364 1.00 0.00 C ATOM 118 CG2 VAL A 11 -9.190 14.289 2.571 1.00 0.00 C ATOM 0 H VAL A 11 -10.044 17.963 3.989 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.466 15.799 3.525 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.730 16.269 2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.339 16.277 2.589 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.259 17.460 3.550 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.756 15.917 4.281 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.418 14.196 1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.880 13.751 3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.123 13.865 2.198 1.00 0.00 H new ATOM 128 N PRO A 12 -11.209 13.848 5.053 1.00 0.00 N ATOM 129 CA PRO A 12 -11.164 12.736 6.007 1.00 0.00 C ATOM 130 C PRO A 12 -10.002 11.787 5.737 1.00 0.00 C ATOM 131 O PRO A 12 -9.530 11.673 4.605 1.00 0.00 O ATOM 132 CB PRO A 12 -12.500 12.022 5.783 1.00 0.00 C ATOM 133 CG PRO A 12 -12.879 12.360 4.382 1.00 0.00 C ATOM 134 CD PRO A 12 -12.355 13.747 4.134 1.00 0.00 C ATOM 0 HA PRO A 12 -11.016 13.083 7.030 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.401 10.945 5.918 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.255 12.364 6.491 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.447 11.648 3.678 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.960 12.322 4.250 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.051 13.882 3.096 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.109 14.505 4.347 1.00 0.00 H new ATOM 142 N VAL A 13 -9.543 11.107 6.783 1.00 0.00 N ATOM 143 CA VAL A 13 -8.436 10.166 6.657 1.00 0.00 C ATOM 144 C VAL A 13 -8.898 8.855 6.032 1.00 0.00 C ATOM 145 O VAL A 13 -10.077 8.505 6.097 1.00 0.00 O ATOM 146 CB VAL A 13 -7.792 9.872 8.025 1.00 0.00 C ATOM 147 CG1 VAL A 13 -7.147 11.127 8.592 1.00 0.00 C ATOM 148 CG2 VAL A 13 -8.825 9.311 8.990 1.00 0.00 C ATOM 0 H VAL A 13 -9.921 11.190 7.727 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.695 10.633 6.008 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.013 9.123 7.887 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.697 10.900 9.559 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.376 11.481 7.907 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.905 11.901 8.717 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.353 9.109 9.951 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.628 10.036 9.125 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.236 8.386 8.586 1.00 0.00 H new ATOM 158 N TYR A 14 -7.961 8.132 5.429 1.00 0.00 N ATOM 159 CA TYR A 14 -8.272 6.858 4.790 1.00 0.00 C ATOM 160 C TYR A 14 -7.273 5.783 5.205 1.00 0.00 C ATOM 161 O TYR A 14 -7.657 4.686 5.612 1.00 0.00 O ATOM 162 CB TYR A 14 -8.269 7.013 3.268 1.00 0.00 C ATOM 163 CG TYR A 14 -8.909 8.296 2.788 1.00 0.00 C ATOM 164 CD1 TYR A 14 -8.194 9.487 2.768 1.00 0.00 C ATOM 165 CD2 TYR A 14 -10.229 8.316 2.354 1.00 0.00 C ATOM 166 CE1 TYR A 14 -8.776 10.661 2.331 1.00 0.00 C ATOM 167 CE2 TYR A 14 -10.818 9.486 1.915 1.00 0.00 C ATOM 168 CZ TYR A 14 -10.088 10.656 1.905 1.00 0.00 C ATOM 169 OH TYR A 14 -10.670 11.823 1.468 1.00 0.00 O ATOM 0 H TYR A 14 -6.980 8.406 5.369 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.266 6.550 5.115 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.240 6.974 2.909 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.794 6.167 2.824 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.166 9.495 3.100 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.804 7.402 2.360 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.206 11.579 2.323 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.845 9.484 1.581 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.597 11.647 1.203 1.00 0.00 H new ATOM 179 N CYS A 15 -5.988 6.105 5.100 1.00 0.00 N ATOM 180 CA CYS A 15 -4.932 5.169 5.464 1.00 0.00 C ATOM 181 C CYS A 15 -5.001 4.821 6.949 1.00 0.00 C ATOM 182 O CYS A 15 -5.753 5.434 7.707 1.00 0.00 O ATOM 183 CB CYS A 15 -3.561 5.759 5.131 1.00 0.00 C ATOM 184 SG CYS A 15 -2.220 4.529 5.055 1.00 0.00 S ATOM 0 H CYS A 15 -5.653 7.008 4.765 1.00 0.00 H new ATOM 0 HA CYS A 15 -5.077 4.255 4.887 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.622 6.274 4.172 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.309 6.510 5.880 1.00 0.00 H new ATOM 189 N LEU A 16 -4.212 3.833 7.356 1.00 0.00 N ATOM 190 CA LEU A 16 -4.182 3.403 8.750 1.00 0.00 C ATOM 191 C LEU A 16 -3.464 4.429 9.621 1.00 0.00 C ATOM 192 O LEU A 16 -3.717 4.524 10.823 1.00 0.00 O ATOM 193 CB LEU A 16 -3.493 2.043 8.870 1.00 0.00 C ATOM 194 CG LEU A 16 -3.833 1.020 7.785 1.00 0.00 C ATOM 195 CD1 LEU A 16 -2.741 -0.033 7.683 1.00 0.00 C ATOM 196 CD2 LEU A 16 -5.179 0.369 8.070 1.00 0.00 C ATOM 0 H LEU A 16 -3.585 3.315 6.741 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.211 3.314 9.099 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.415 2.203 8.866 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.748 1.613 9.839 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.898 1.540 6.829 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.000 -0.752 6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.795 0.447 7.432 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.644 -0.550 8.638 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.405 -0.356 7.288 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.141 -0.137 9.035 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.956 1.134 8.092 1.00 0.00 H new ATOM 208 N CYS A 17 -2.569 5.196 9.008 1.00 0.00 N ATOM 209 CA CYS A 17 -1.815 6.216 9.725 1.00 0.00 C ATOM 210 C CYS A 17 -2.734 7.337 10.202 1.00 0.00 C ATOM 211 O CYS A 17 -2.321 8.209 10.967 1.00 0.00 O ATOM 212 CB CYS A 17 -0.714 6.790 8.831 1.00 0.00 C ATOM 213 SG CYS A 17 0.307 5.527 8.006 1.00 0.00 S ATOM 0 H CYS A 17 -2.348 5.130 8.014 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.358 5.748 10.597 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.171 7.425 8.072 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.067 7.428 9.433 1.00 0.00 H new ATOM 218 N ARG A 18 -3.982 7.306 9.745 1.00 0.00 N ATOM 219 CA ARG A 18 -4.959 8.320 10.124 1.00 0.00 C ATOM 220 C ARG A 18 -4.667 9.645 9.426 1.00 0.00 C ATOM 221 O ARG A 18 -4.819 10.714 10.016 1.00 0.00 O ATOM 222 CB ARG A 18 -4.957 8.519 11.641 1.00 0.00 C ATOM 223 CG ARG A 18 -4.935 7.218 12.426 1.00 0.00 C ATOM 224 CD ARG A 18 -6.166 6.372 12.138 1.00 0.00 C ATOM 225 NE ARG A 18 -6.535 5.537 13.278 1.00 0.00 N ATOM 226 CZ ARG A 18 -7.184 5.992 14.344 1.00 0.00 C ATOM 227 NH1 ARG A 18 -7.534 7.269 14.415 1.00 0.00 N ATOM 228 NH2 ARG A 18 -7.484 5.169 15.341 1.00 0.00 N ATOM 0 H ARG A 18 -4.340 6.590 9.112 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.944 7.974 9.811 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.089 9.116 11.919 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.841 9.090 11.925 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.037 6.654 12.173 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.884 7.436 13.493 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.001 7.023 11.880 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.976 5.739 11.271 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.280 4.550 13.254 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.305 7.904 13.650 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.032 7.616 15.234 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.216 4.186 15.289 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.982 5.519 16.159 1.00 0.00 H new ATOM 242 N GLN A 19 -4.246 9.564 8.168 1.00 0.00 N ATOM 243 CA GLN A 19 -3.931 10.757 7.391 1.00 0.00 C ATOM 244 C GLN A 19 -4.881 10.901 6.206 1.00 0.00 C ATOM 245 O GLN A 19 -5.370 9.919 5.649 1.00 0.00 O ATOM 246 CB GLN A 19 -2.485 10.703 6.896 1.00 0.00 C ATOM 247 CG GLN A 19 -1.470 10.480 8.006 1.00 0.00 C ATOM 248 CD GLN A 19 -1.736 11.346 9.222 1.00 0.00 C ATOM 249 OE1 GLN A 19 -1.411 12.534 9.236 1.00 0.00 O ATOM 250 NE2 GLN A 19 -2.330 10.754 10.252 1.00 0.00 N ATOM 0 H GLN A 19 -4.115 8.686 7.666 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.053 11.624 8.040 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.391 9.902 6.162 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.250 11.635 6.382 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.485 9.431 8.301 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.470 10.690 7.627 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.582 9.767 10.197 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.534 11.286 11.098 1.00 0.00 H new ATOM 259 N PRO A 20 -5.149 12.155 5.811 1.00 0.00 N ATOM 260 CA PRO A 20 -6.042 12.457 4.688 1.00 0.00 C ATOM 261 C PRO A 20 -5.440 12.058 3.345 1.00 0.00 C ATOM 262 O PRO A 20 -6.055 11.323 2.572 1.00 0.00 O ATOM 263 CB PRO A 20 -6.210 13.977 4.768 1.00 0.00 C ATOM 264 CG PRO A 20 -4.982 14.458 5.460 1.00 0.00 C ATOM 265 CD PRO A 20 -4.600 13.374 6.429 1.00 0.00 C ATOM 0 HA PRO A 20 -6.980 11.906 4.754 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.303 14.418 3.775 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.109 14.247 5.323 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -4.179 14.644 4.746 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -5.170 15.397 5.980 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.519 13.309 6.554 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.025 13.550 7.417 1.00 0.00 H new ATOM 273 N TYR A 21 -4.235 12.547 3.073 1.00 0.00 N ATOM 274 CA TYR A 21 -3.551 12.242 1.822 1.00 0.00 C ATOM 275 C TYR A 21 -2.155 12.858 1.800 1.00 0.00 C ATOM 276 O TYR A 21 -1.876 13.816 2.519 1.00 0.00 O ATOM 277 CB TYR A 21 -4.366 12.755 0.633 1.00 0.00 C ATOM 278 CG TYR A 21 -3.665 12.592 -0.696 1.00 0.00 C ATOM 279 CD1 TYR A 21 -3.684 11.376 -1.370 1.00 0.00 C ATOM 280 CD2 TYR A 21 -2.984 13.653 -1.280 1.00 0.00 C ATOM 281 CE1 TYR A 21 -3.045 11.223 -2.585 1.00 0.00 C ATOM 282 CE2 TYR A 21 -2.343 13.509 -2.495 1.00 0.00 C ATOM 283 CZ TYR A 21 -2.376 12.292 -3.143 1.00 0.00 C ATOM 284 OH TYR A 21 -1.739 12.143 -4.354 1.00 0.00 O ATOM 0 H TYR A 21 -3.712 13.156 3.702 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.452 11.159 1.746 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.318 12.225 0.600 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.594 13.810 0.787 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.207 10.537 -0.936 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.955 14.607 -0.775 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.069 10.271 -3.095 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.819 14.345 -2.935 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.317 12.990 -4.608 1.00 0.00 H new ATOM 294 N ASN A 22 -1.282 12.299 0.968 1.00 0.00 N ATOM 295 CA ASN A 22 0.085 12.792 0.851 1.00 0.00 C ATOM 296 C ASN A 22 0.515 12.863 -0.611 1.00 0.00 C ATOM 297 O ASN A 22 0.811 11.843 -1.233 1.00 0.00 O ATOM 298 CB ASN A 22 1.043 11.890 1.632 1.00 0.00 C ATOM 299 CG ASN A 22 1.104 12.249 3.104 1.00 0.00 C ATOM 300 OD1 ASN A 22 2.147 12.665 3.610 1.00 0.00 O ATOM 301 ND2 ASN A 22 -0.015 12.087 3.800 1.00 0.00 N ATOM 0 H ASN A 22 -1.497 11.505 0.365 1.00 0.00 H new ATOM 0 HA ASN A 22 0.119 13.797 1.271 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.728 10.852 1.527 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.041 11.965 1.201 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.033 12.310 4.795 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.856 11.739 3.340 1.00 0.00 H new ATOM 308 N VAL A 23 0.546 14.076 -1.154 1.00 0.00 N ATOM 309 CA VAL A 23 0.940 14.282 -2.543 1.00 0.00 C ATOM 310 C VAL A 23 2.387 13.858 -2.771 1.00 0.00 C ATOM 311 O VAL A 23 2.763 13.468 -3.876 1.00 0.00 O ATOM 312 CB VAL A 23 0.776 15.755 -2.961 1.00 0.00 C ATOM 313 CG1 VAL A 23 1.600 16.661 -2.059 1.00 0.00 C ATOM 314 CG2 VAL A 23 1.166 15.941 -4.419 1.00 0.00 C ATOM 0 H VAL A 23 0.303 14.931 -0.653 1.00 0.00 H new ATOM 0 HA VAL A 23 0.282 13.664 -3.154 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.273 16.032 -2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.472 17.698 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.267 16.547 -1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.653 16.388 -2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.044 16.988 -4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.207 15.647 -4.558 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.527 15.321 -5.048 1.00 0.00 H new ATOM 324 N ASN A 24 3.195 13.939 -1.719 1.00 0.00 N ATOM 325 CA ASN A 24 4.601 13.564 -1.805 1.00 0.00 C ATOM 326 C ASN A 24 4.767 12.050 -1.720 1.00 0.00 C ATOM 327 O ASN A 24 5.600 11.466 -2.414 1.00 0.00 O ATOM 328 CB ASN A 24 5.400 14.239 -0.688 1.00 0.00 C ATOM 329 CG ASN A 24 5.011 15.692 -0.496 1.00 0.00 C ATOM 330 OD1 ASN A 24 4.202 16.021 0.371 1.00 0.00 O ATOM 331 ND2 ASN A 24 5.588 16.571 -1.308 1.00 0.00 N ATOM 0 H ASN A 24 2.900 14.261 -0.797 1.00 0.00 H new ATOM 0 HA ASN A 24 4.982 13.900 -2.769 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.244 13.698 0.245 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.464 14.178 -0.918 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.366 17.563 -1.226 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.253 16.254 -2.013 1.00 0.00 H new ATOM 338 N HIS A 25 3.968 11.419 -0.865 1.00 0.00 N ATOM 339 CA HIS A 25 4.025 9.972 -0.690 1.00 0.00 C ATOM 340 C HIS A 25 2.997 9.277 -1.578 1.00 0.00 C ATOM 341 O HIS A 25 1.801 9.556 -1.496 1.00 0.00 O ATOM 342 CB HIS A 25 3.783 9.605 0.774 1.00 0.00 C ATOM 343 CG HIS A 25 4.616 10.396 1.735 1.00 0.00 C ATOM 344 ND1 HIS A 25 4.075 11.161 2.747 1.00 0.00 N ATOM 345 CD2 HIS A 25 5.959 10.536 1.836 1.00 0.00 C ATOM 346 CE1 HIS A 25 5.049 11.739 3.427 1.00 0.00 C ATOM 347 NE2 HIS A 25 6.202 11.375 2.895 1.00 0.00 N ATOM 0 H HIS A 25 3.274 11.887 -0.283 1.00 0.00 H new ATOM 0 HA HIS A 25 5.019 9.634 -0.982 1.00 0.00 H new ATOM 0 HB2 HIS A 25 2.729 9.757 1.009 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.991 8.544 0.913 1.00 0.00 H new ATOM 0 HD1 HIS A 25 3.079 11.264 2.940 1.00 0.00 H new ATOM 0 HD2 HIS A 25 6.701 10.074 1.202 1.00 0.00 H new ATOM 0 HE1 HIS A 25 4.924 12.397 4.274 1.00 0.00 H new ATOM 356 N PHE A 26 3.471 8.371 -2.426 1.00 0.00 N ATOM 357 CA PHE A 26 2.594 7.637 -3.331 1.00 0.00 C ATOM 358 C PHE A 26 1.390 7.073 -2.582 1.00 0.00 C ATOM 359 O PHE A 26 1.484 6.730 -1.404 1.00 0.00 O ATOM 360 CB PHE A 26 3.362 6.503 -4.012 1.00 0.00 C ATOM 361 CG PHE A 26 2.519 5.291 -4.290 1.00 0.00 C ATOM 362 CD1 PHE A 26 2.137 4.446 -3.261 1.00 0.00 C ATOM 363 CD2 PHE A 26 2.111 4.996 -5.581 1.00 0.00 C ATOM 364 CE1 PHE A 26 1.361 3.330 -3.513 1.00 0.00 C ATOM 365 CE2 PHE A 26 1.335 3.882 -5.839 1.00 0.00 C ATOM 366 CZ PHE A 26 0.961 3.047 -4.804 1.00 0.00 C ATOM 0 H PHE A 26 4.458 8.127 -2.506 1.00 0.00 H new ATOM 0 HA PHE A 26 2.235 8.331 -4.091 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.778 6.869 -4.950 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.203 6.214 -3.381 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.449 4.662 -2.250 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.403 5.644 -6.394 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.068 2.680 -2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.021 3.664 -6.849 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.357 2.174 -5.004 1.00 0.00 H new ATOM 376 N MET A 27 0.259 6.982 -3.274 1.00 0.00 N ATOM 377 CA MET A 27 -0.964 6.459 -2.675 1.00 0.00 C ATOM 378 C MET A 27 -1.854 5.813 -3.732 1.00 0.00 C ATOM 379 O MET A 27 -1.844 6.216 -4.896 1.00 0.00 O ATOM 380 CB MET A 27 -1.727 7.578 -1.963 1.00 0.00 C ATOM 381 CG MET A 27 -1.343 7.741 -0.502 1.00 0.00 C ATOM 382 SD MET A 27 -2.441 8.864 0.384 1.00 0.00 S ATOM 383 CE MET A 27 -3.444 7.701 1.305 1.00 0.00 C ATOM 0 H MET A 27 0.164 7.263 -4.250 1.00 0.00 H new ATOM 0 HA MET A 27 -0.686 5.698 -1.946 1.00 0.00 H new ATOM 0 HB2 MET A 27 -1.547 8.518 -2.484 1.00 0.00 H new ATOM 0 HB3 MET A 27 -2.796 7.377 -2.029 1.00 0.00 H new ATOM 0 HG2 MET A 27 -1.358 6.766 -0.016 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.321 8.113 -0.438 1.00 0.00 H new ATOM 0 HE1 MET A 27 -4.394 8.167 1.567 1.00 0.00 H new ATOM 0 HE2 MET A 27 -3.630 6.818 0.694 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.920 7.409 2.215 1.00 0.00 H new ATOM 393 N ILE A 28 -2.621 4.810 -3.320 1.00 0.00 N ATOM 394 CA ILE A 28 -3.517 4.109 -4.232 1.00 0.00 C ATOM 395 C ILE A 28 -4.955 4.149 -3.728 1.00 0.00 C ATOM 396 O ILE A 28 -5.233 4.688 -2.657 1.00 0.00 O ATOM 397 CB ILE A 28 -3.092 2.641 -4.422 1.00 0.00 C ATOM 398 CG1 ILE A 28 -2.079 2.238 -3.348 1.00 0.00 C ATOM 399 CG2 ILE A 28 -2.509 2.434 -5.811 1.00 0.00 C ATOM 400 CD1 ILE A 28 -2.677 2.139 -1.961 1.00 0.00 C ATOM 0 H ILE A 28 -2.640 4.464 -2.361 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.456 4.623 -5.191 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.973 2.007 -4.321 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.641 1.277 -3.616 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.267 2.965 -3.334 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.213 1.392 -5.930 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.258 2.687 -6.561 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.637 3.075 -5.939 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.903 1.849 -1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.090 3.106 -1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.469 1.391 -1.959 1.00 0.00 H new ATOM 412 N GLU A 29 -5.866 3.574 -4.507 1.00 0.00 N ATOM 413 CA GLU A 29 -7.276 3.543 -4.138 1.00 0.00 C ATOM 414 C GLU A 29 -7.841 2.132 -4.265 1.00 0.00 C ATOM 415 O GLU A 29 -7.637 1.457 -5.275 1.00 0.00 O ATOM 416 CB GLU A 29 -8.077 4.506 -5.017 1.00 0.00 C ATOM 417 CG GLU A 29 -9.563 4.528 -4.699 1.00 0.00 C ATOM 418 CD GLU A 29 -10.379 5.224 -5.771 1.00 0.00 C ATOM 419 OE1 GLU A 29 -10.353 4.761 -6.930 1.00 0.00 O ATOM 420 OE2 GLU A 29 -11.043 6.232 -5.451 1.00 0.00 O ATOM 0 H GLU A 29 -5.653 3.124 -5.397 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.360 3.857 -3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.674 5.512 -4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.942 4.228 -6.062 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.921 3.505 -4.582 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.719 5.031 -3.745 1.00 0.00 H new ATOM 427 N CYS A 30 -8.553 1.690 -3.233 1.00 0.00 N ATOM 428 CA CYS A 30 -9.147 0.359 -3.227 1.00 0.00 C ATOM 429 C CYS A 30 -10.379 0.309 -4.126 1.00 0.00 C ATOM 430 O CYS A 30 -11.325 1.075 -3.945 1.00 0.00 O ATOM 431 CB CYS A 30 -9.527 -0.046 -1.801 1.00 0.00 C ATOM 432 SG CYS A 30 -10.401 -1.640 -1.689 1.00 0.00 S ATOM 0 H CYS A 30 -8.732 2.235 -2.390 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.408 -0.343 -3.613 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.622 -0.097 -1.196 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -10.156 0.732 -1.369 1.00 0.00 H new ATOM 437 N GLY A 31 -10.360 -0.599 -5.097 1.00 0.00 N ATOM 438 CA GLY A 31 -11.480 -0.733 -6.010 1.00 0.00 C ATOM 439 C GLY A 31 -12.609 -1.559 -5.426 1.00 0.00 C ATOM 440 O GLY A 31 -13.394 -2.159 -6.161 1.00 0.00 O ATOM 0 H GLY A 31 -9.589 -1.244 -5.268 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.855 0.257 -6.268 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.137 -1.195 -6.936 1.00 0.00 H new ATOM 444 N LEU A 32 -12.691 -1.593 -4.100 1.00 0.00 N ATOM 445 CA LEU A 32 -13.731 -2.353 -3.417 1.00 0.00 C ATOM 446 C LEU A 32 -14.497 -1.470 -2.438 1.00 0.00 C ATOM 447 O LEU A 32 -15.728 -1.493 -2.395 1.00 0.00 O ATOM 448 CB LEU A 32 -13.118 -3.543 -2.676 1.00 0.00 C ATOM 449 CG LEU A 32 -12.262 -4.489 -3.519 1.00 0.00 C ATOM 450 CD1 LEU A 32 -11.643 -5.569 -2.645 1.00 0.00 C ATOM 451 CD2 LEU A 32 -13.093 -5.111 -4.631 1.00 0.00 C ATOM 0 H LEU A 32 -12.049 -1.103 -3.477 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.429 -2.721 -4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.505 -3.161 -1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.925 -4.120 -2.225 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.457 -3.913 -3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.037 -6.233 -3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.014 -5.106 -1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.433 -6.143 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.468 -5.781 -5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.919 -5.674 -4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.488 -4.324 -5.273 1.00 0.00 H new ATOM 463 N CYS A 33 -13.762 -0.689 -1.653 1.00 0.00 N ATOM 464 CA CYS A 33 -14.370 0.204 -0.675 1.00 0.00 C ATOM 465 C CYS A 33 -14.098 1.663 -1.027 1.00 0.00 C ATOM 466 O CYS A 33 -14.571 2.574 -0.348 1.00 0.00 O ATOM 467 CB CYS A 33 -13.838 -0.102 0.727 1.00 0.00 C ATOM 468 SG CYS A 33 -12.071 0.282 0.951 1.00 0.00 S ATOM 0 H CYS A 33 -12.743 -0.657 -1.676 1.00 0.00 H new ATOM 0 HA CYS A 33 -15.447 0.040 -0.691 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -14.417 0.465 1.456 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -14.000 -1.158 0.943 1.00 0.00 H new ATOM 473 N GLN A 34 -13.333 1.876 -2.093 1.00 0.00 N ATOM 474 CA GLN A 34 -12.998 3.224 -2.535 1.00 0.00 C ATOM 475 C GLN A 34 -12.253 3.986 -1.443 1.00 0.00 C ATOM 476 O GLN A 34 -12.606 5.118 -1.112 1.00 0.00 O ATOM 477 CB GLN A 34 -14.265 3.984 -2.930 1.00 0.00 C ATOM 478 CG GLN A 34 -15.005 3.364 -4.105 1.00 0.00 C ATOM 479 CD GLN A 34 -16.015 4.311 -4.723 1.00 0.00 C ATOM 480 OE1 GLN A 34 -16.658 5.094 -4.024 1.00 0.00 O ATOM 481 NE2 GLN A 34 -16.160 4.243 -6.042 1.00 0.00 N ATOM 0 H GLN A 34 -12.934 1.133 -2.666 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.346 3.142 -3.405 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -14.935 4.028 -2.071 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -14.000 5.011 -3.180 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -14.284 3.061 -4.865 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -15.516 2.461 -3.772 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -15.606 3.579 -6.582 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -16.825 4.855 -6.514 1.00 0.00 H new ATOM 490 N ASP A 35 -11.223 3.358 -0.888 1.00 0.00 N ATOM 491 CA ASP A 35 -10.428 3.976 0.167 1.00 0.00 C ATOM 492 C ASP A 35 -9.059 4.395 -0.359 1.00 0.00 C ATOM 493 O ASP A 35 -8.790 4.305 -1.557 1.00 0.00 O ATOM 494 CB ASP A 35 -10.264 3.013 1.343 1.00 0.00 C ATOM 495 CG ASP A 35 -11.494 2.966 2.229 1.00 0.00 C ATOM 496 OD1 ASP A 35 -12.588 3.325 1.745 1.00 0.00 O ATOM 497 OD2 ASP A 35 -11.362 2.569 3.405 1.00 0.00 O ATOM 0 H ASP A 35 -10.918 2.421 -1.151 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.954 4.867 0.509 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.055 2.013 0.963 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.402 3.315 1.938 1.00 0.00 H new ATOM 502 N TRP A 36 -8.199 4.852 0.543 1.00 0.00 N ATOM 503 CA TRP A 36 -6.857 5.285 0.170 1.00 0.00 C ATOM 504 C TRP A 36 -5.837 4.867 1.223 1.00 0.00 C ATOM 505 O TRP A 36 -6.137 4.844 2.417 1.00 0.00 O ATOM 506 CB TRP A 36 -6.823 6.802 -0.018 1.00 0.00 C ATOM 507 CG TRP A 36 -7.518 7.263 -1.263 1.00 0.00 C ATOM 508 CD1 TRP A 36 -8.858 7.472 -1.424 1.00 0.00 C ATOM 509 CD2 TRP A 36 -6.908 7.569 -2.522 1.00 0.00 C ATOM 510 NE1 TRP A 36 -9.118 7.890 -2.707 1.00 0.00 N ATOM 511 CE2 TRP A 36 -7.939 7.958 -3.400 1.00 0.00 C ATOM 512 CE3 TRP A 36 -5.593 7.554 -2.992 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -7.692 8.327 -4.720 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -5.349 7.920 -4.302 1.00 0.00 C ATOM 515 CH2 TRP A 36 -6.394 8.303 -5.154 1.00 0.00 C ATOM 0 H TRP A 36 -8.407 4.933 1.538 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.595 4.803 -0.772 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.287 7.278 0.846 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.785 7.134 -0.046 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.604 7.330 -0.656 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.040 8.113 -3.082 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.781 7.261 -2.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -8.496 8.622 -5.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.336 7.911 -4.676 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.171 8.585 -6.172 1.00 0.00 H new ATOM 526 N PHE A 37 -4.630 4.539 0.774 1.00 0.00 N ATOM 527 CA PHE A 37 -3.566 4.121 1.679 1.00 0.00 C ATOM 528 C PHE A 37 -2.194 4.398 1.070 1.00 0.00 C ATOM 529 O PHE A 37 -2.079 4.698 -0.119 1.00 0.00 O ATOM 530 CB PHE A 37 -3.700 2.632 2.007 1.00 0.00 C ATOM 531 CG PHE A 37 -5.058 2.253 2.526 1.00 0.00 C ATOM 532 CD1 PHE A 37 -6.119 2.066 1.655 1.00 0.00 C ATOM 533 CD2 PHE A 37 -5.272 2.084 3.884 1.00 0.00 C ATOM 534 CE1 PHE A 37 -7.370 1.716 2.130 1.00 0.00 C ATOM 535 CE2 PHE A 37 -6.520 1.734 4.364 1.00 0.00 C ATOM 536 CZ PHE A 37 -7.570 1.551 3.486 1.00 0.00 C ATOM 0 H PHE A 37 -4.364 4.555 -0.211 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.659 4.698 2.599 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.487 2.050 1.110 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.948 2.362 2.748 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.968 2.195 0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.455 2.227 4.575 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.189 1.572 1.441 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.674 1.604 5.425 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.546 1.279 3.860 1.00 0.00 H new ATOM 546 N HIS A 38 -1.156 4.295 1.894 1.00 0.00 N ATOM 547 CA HIS A 38 0.209 4.534 1.437 1.00 0.00 C ATOM 548 C HIS A 38 0.867 3.233 0.989 1.00 0.00 C ATOM 549 O HIS A 38 0.762 2.208 1.662 1.00 0.00 O ATOM 550 CB HIS A 38 1.035 5.181 2.549 1.00 0.00 C ATOM 551 CG HIS A 38 0.545 6.539 2.947 1.00 0.00 C ATOM 552 ND1 HIS A 38 0.076 6.830 4.210 1.00 0.00 N ATOM 553 CD2 HIS A 38 0.456 7.690 2.239 1.00 0.00 C ATOM 554 CE1 HIS A 38 -0.283 8.101 4.262 1.00 0.00 C ATOM 555 NE2 HIS A 38 -0.062 8.645 3.079 1.00 0.00 N ATOM 0 H HIS A 38 -1.234 4.048 2.881 1.00 0.00 H new ATOM 0 HA HIS A 38 0.168 5.212 0.584 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.025 4.530 3.423 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.072 5.260 2.221 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.740 7.831 1.206 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.688 8.608 5.125 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.246 9.617 2.830 1.00 0.00 H new ATOM 563 N GLY A 39 1.547 3.281 -0.153 1.00 0.00 N ATOM 564 CA GLY A 39 2.211 2.100 -0.672 1.00 0.00 C ATOM 565 C GLY A 39 3.210 1.519 0.309 1.00 0.00 C ATOM 566 O GLY A 39 3.585 0.351 0.206 1.00 0.00 O ATOM 0 H GLY A 39 1.650 4.117 -0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.464 1.344 -0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.723 2.353 -1.600 1.00 0.00 H new ATOM 570 N SER A 40 3.645 2.337 1.263 1.00 0.00 N ATOM 571 CA SER A 40 4.611 1.899 2.263 1.00 0.00 C ATOM 572 C SER A 40 3.910 1.221 3.436 1.00 0.00 C ATOM 573 O SER A 40 4.510 0.423 4.157 1.00 0.00 O ATOM 574 CB SER A 40 5.433 3.088 2.764 1.00 0.00 C ATOM 575 OG SER A 40 6.729 2.680 3.165 1.00 0.00 O ATOM 0 H SER A 40 3.343 3.306 1.364 1.00 0.00 H new ATOM 0 HA SER A 40 5.279 1.176 1.794 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.512 3.837 1.976 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.921 3.560 3.603 1.00 0.00 H new ATOM 0 HG SER A 40 7.234 3.459 3.479 1.00 0.00 H new ATOM 581 N CYS A 41 2.635 1.545 3.622 1.00 0.00 N ATOM 582 CA CYS A 41 1.849 0.970 4.707 1.00 0.00 C ATOM 583 C CYS A 41 1.143 -0.304 4.251 1.00 0.00 C ATOM 584 O CYS A 41 0.896 -1.209 5.048 1.00 0.00 O ATOM 585 CB CYS A 41 0.821 1.983 5.213 1.00 0.00 C ATOM 586 SG CYS A 41 1.548 3.532 5.838 1.00 0.00 S ATOM 0 H CYS A 41 2.124 2.204 3.035 1.00 0.00 H new ATOM 0 HA CYS A 41 2.529 0.716 5.520 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.131 2.219 4.403 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.234 1.523 6.008 1.00 0.00 H new ATOM 591 N VAL A 42 0.821 -0.367 2.963 1.00 0.00 N ATOM 592 CA VAL A 42 0.144 -1.529 2.400 1.00 0.00 C ATOM 593 C VAL A 42 1.139 -2.476 1.738 1.00 0.00 C ATOM 594 O VAL A 42 0.979 -3.695 1.789 1.00 0.00 O ATOM 595 CB VAL A 42 -0.919 -1.113 1.365 1.00 0.00 C ATOM 596 CG1 VAL A 42 -1.934 -0.170 1.992 1.00 0.00 C ATOM 597 CG2 VAL A 42 -0.260 -0.471 0.154 1.00 0.00 C ATOM 0 H VAL A 42 1.018 0.373 2.290 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.347 -2.042 3.227 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.446 -2.007 1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.677 0.113 1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.428 -0.669 2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.425 0.723 2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.025 -0.183 -0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.294 0.414 0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.424 -1.183 -0.308 1.00 0.00 H new ATOM 607 N GLY A 43 2.167 -1.907 1.117 1.00 0.00 N ATOM 608 CA GLY A 43 3.173 -2.715 0.454 1.00 0.00 C ATOM 609 C GLY A 43 3.087 -2.624 -1.057 1.00 0.00 C ATOM 610 O GLY A 43 3.270 -3.620 -1.757 1.00 0.00 O ATOM 0 H GLY A 43 2.321 -0.900 1.061 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.163 -2.395 0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.058 -3.755 0.759 1.00 0.00 H new ATOM 614 N ILE A 44 2.808 -1.426 -1.561 1.00 0.00 N ATOM 615 CA ILE A 44 2.698 -1.209 -2.998 1.00 0.00 C ATOM 616 C ILE A 44 3.633 -0.096 -3.459 1.00 0.00 C ATOM 617 O ILE A 44 3.831 0.892 -2.754 1.00 0.00 O ATOM 618 CB ILE A 44 1.255 -0.855 -3.405 1.00 0.00 C ATOM 619 CG1 ILE A 44 0.330 -2.053 -3.183 1.00 0.00 C ATOM 620 CG2 ILE A 44 1.210 -0.405 -4.858 1.00 0.00 C ATOM 621 CD1 ILE A 44 -1.132 -1.737 -3.407 1.00 0.00 C ATOM 0 H ILE A 44 2.654 -0.591 -0.995 1.00 0.00 H new ATOM 0 HA ILE A 44 2.984 -2.143 -3.481 1.00 0.00 H new ATOM 0 HB ILE A 44 0.908 -0.033 -2.779 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.626 -2.860 -3.854 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.462 -2.420 -2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.184 -0.158 -5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.841 0.474 -4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.573 -1.208 -5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.729 -2.632 -3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.444 -0.952 -2.718 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.278 -1.398 -4.433 1.00 0.00 H new ATOM 633 N GLU A 45 4.203 -0.265 -4.648 1.00 0.00 N ATOM 634 CA GLU A 45 5.116 0.727 -5.204 1.00 0.00 C ATOM 635 C GLU A 45 4.503 1.408 -6.424 1.00 0.00 C ATOM 636 O GLU A 45 3.757 0.790 -7.183 1.00 0.00 O ATOM 637 CB GLU A 45 6.445 0.072 -5.586 1.00 0.00 C ATOM 638 CG GLU A 45 7.154 -0.593 -4.418 1.00 0.00 C ATOM 639 CD GLU A 45 7.989 -1.785 -4.845 1.00 0.00 C ATOM 640 OE1 GLU A 45 8.365 -1.852 -6.033 1.00 0.00 O ATOM 641 OE2 GLU A 45 8.267 -2.650 -3.988 1.00 0.00 O ATOM 0 H GLU A 45 4.049 -1.078 -5.244 1.00 0.00 H new ATOM 0 HA GLU A 45 5.298 1.483 -4.441 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.264 -0.672 -6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.102 0.828 -6.017 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.795 0.137 -3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.415 -0.916 -3.685 1.00 0.00 H new ATOM 648 N GLU A 46 4.822 2.686 -6.604 1.00 0.00 N ATOM 649 CA GLU A 46 4.302 3.452 -7.731 1.00 0.00 C ATOM 650 C GLU A 46 4.562 2.726 -9.048 1.00 0.00 C ATOM 651 O GLU A 46 3.709 2.704 -9.934 1.00 0.00 O ATOM 652 CB GLU A 46 4.937 4.843 -7.768 1.00 0.00 C ATOM 653 CG GLU A 46 4.210 5.820 -8.676 1.00 0.00 C ATOM 654 CD GLU A 46 4.590 7.263 -8.403 1.00 0.00 C ATOM 655 OE1 GLU A 46 4.155 7.804 -7.365 1.00 0.00 O ATOM 656 OE2 GLU A 46 5.320 7.851 -9.228 1.00 0.00 O ATOM 0 H GLU A 46 5.438 3.213 -5.984 1.00 0.00 H new ATOM 0 HA GLU A 46 3.225 3.557 -7.600 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.961 5.249 -6.757 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.971 4.752 -8.100 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.434 5.580 -9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.134 5.700 -8.545 1.00 0.00 H new ATOM 663 N GLU A 47 5.747 2.135 -9.167 1.00 0.00 N ATOM 664 CA GLU A 47 6.120 1.411 -10.377 1.00 0.00 C ATOM 665 C GLU A 47 5.181 0.231 -10.615 1.00 0.00 C ATOM 666 O GLU A 47 4.897 -0.128 -11.757 1.00 0.00 O ATOM 667 CB GLU A 47 7.564 0.915 -10.276 1.00 0.00 C ATOM 668 CG GLU A 47 7.805 -0.026 -9.108 1.00 0.00 C ATOM 669 CD GLU A 47 9.187 -0.650 -9.136 1.00 0.00 C ATOM 670 OE1 GLU A 47 10.086 -0.068 -9.779 1.00 0.00 O ATOM 671 OE2 GLU A 47 9.369 -1.718 -8.517 1.00 0.00 O ATOM 0 H GLU A 47 6.464 2.143 -8.442 1.00 0.00 H new ATOM 0 HA GLU A 47 6.037 2.096 -11.221 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.830 0.406 -11.202 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.228 1.774 -10.182 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.676 0.520 -8.174 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.054 -0.816 -9.122 1.00 0.00 H new ATOM 678 N ASN A 48 4.705 -0.368 -9.528 1.00 0.00 N ATOM 679 CA ASN A 48 3.800 -1.508 -9.619 1.00 0.00 C ATOM 680 C ASN A 48 2.351 -1.044 -9.741 1.00 0.00 C ATOM 681 O ASN A 48 1.513 -1.738 -10.315 1.00 0.00 O ATOM 682 CB ASN A 48 3.956 -2.408 -8.392 1.00 0.00 C ATOM 683 CG ASN A 48 5.382 -2.889 -8.205 1.00 0.00 C ATOM 684 OD1 ASN A 48 6.174 -2.900 -9.148 1.00 0.00 O ATOM 685 ND2 ASN A 48 5.717 -3.289 -6.984 1.00 0.00 N ATOM 0 H ASN A 48 4.931 -0.083 -8.575 1.00 0.00 H new ATOM 0 HA ASN A 48 4.059 -2.075 -10.513 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.640 -1.863 -7.503 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.295 -3.269 -8.490 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.663 -3.622 -6.798 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.028 -3.263 -6.232 1.00 0.00 H new ATOM 692 N ALA A 49 2.065 0.135 -9.199 1.00 0.00 N ATOM 693 CA ALA A 49 0.720 0.693 -9.250 1.00 0.00 C ATOM 694 C ALA A 49 0.174 0.682 -10.674 1.00 0.00 C ATOM 695 O ALA A 49 -0.937 0.214 -10.920 1.00 0.00 O ATOM 696 CB ALA A 49 0.714 2.109 -8.691 1.00 0.00 C ATOM 0 H ALA A 49 2.747 0.722 -8.719 1.00 0.00 H new ATOM 0 HA ALA A 49 0.071 0.069 -8.636 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.297 2.513 -8.735 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.053 2.093 -7.655 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.382 2.736 -9.282 1.00 0.00 H new ATOM 702 N VAL A 50 0.964 1.202 -11.609 1.00 0.00 N ATOM 703 CA VAL A 50 0.560 1.251 -13.009 1.00 0.00 C ATOM 704 C VAL A 50 0.136 -0.126 -13.508 1.00 0.00 C ATOM 705 O VAL A 50 -0.529 -0.247 -14.536 1.00 0.00 O ATOM 706 CB VAL A 50 1.697 1.782 -13.903 1.00 0.00 C ATOM 707 CG1 VAL A 50 2.867 0.810 -13.911 1.00 0.00 C ATOM 708 CG2 VAL A 50 1.191 2.032 -15.315 1.00 0.00 C ATOM 0 H VAL A 50 1.887 1.595 -11.422 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.288 1.933 -13.070 1.00 0.00 H new ATOM 0 HB VAL A 50 2.046 2.730 -13.494 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.661 1.201 -14.547 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.244 0.686 -12.896 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.536 -0.155 -14.296 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.007 2.407 -15.933 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.815 1.100 -15.737 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.388 2.769 -15.289 1.00 0.00 H new ATOM 718 N ASP A 51 0.526 -1.161 -12.772 1.00 0.00 N ATOM 719 CA ASP A 51 0.186 -2.531 -13.139 1.00 0.00 C ATOM 720 C ASP A 51 -1.016 -3.024 -12.339 1.00 0.00 C ATOM 721 O ASP A 51 -1.663 -4.003 -12.713 1.00 0.00 O ATOM 722 CB ASP A 51 1.382 -3.455 -12.908 1.00 0.00 C ATOM 723 CG ASP A 51 2.525 -3.172 -13.863 1.00 0.00 C ATOM 724 OD1 ASP A 51 2.250 -2.814 -15.027 1.00 0.00 O ATOM 725 OD2 ASP A 51 3.695 -3.309 -13.446 1.00 0.00 O ATOM 0 H ASP A 51 1.078 -1.078 -11.918 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.074 -2.545 -14.197 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.733 -3.341 -11.882 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.064 -4.491 -13.023 1.00 0.00 H new ATOM 730 N ILE A 52 -1.308 -2.342 -11.237 1.00 0.00 N ATOM 731 CA ILE A 52 -2.431 -2.711 -10.385 1.00 0.00 C ATOM 732 C ILE A 52 -3.736 -2.119 -10.908 1.00 0.00 C ATOM 733 O ILE A 52 -4.037 -0.950 -10.671 1.00 0.00 O ATOM 734 CB ILE A 52 -2.215 -2.245 -8.933 1.00 0.00 C ATOM 735 CG1 ILE A 52 -0.931 -2.854 -8.365 1.00 0.00 C ATOM 736 CG2 ILE A 52 -3.412 -2.619 -8.072 1.00 0.00 C ATOM 737 CD1 ILE A 52 -0.522 -2.266 -7.033 1.00 0.00 C ATOM 0 H ILE A 52 -0.782 -1.530 -10.913 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.495 -3.799 -10.403 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.114 -1.160 -8.927 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.068 -3.929 -8.252 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.122 -2.709 -9.081 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.244 -2.283 -7.049 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.308 -2.142 -8.468 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.543 -3.701 -8.081 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.396 -2.744 -6.690 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.353 -1.195 -7.145 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.313 -2.434 -6.303 1.00 0.00 H new ATOM 749 N ASP A 53 -4.506 -2.936 -11.619 1.00 0.00 N ATOM 750 CA ASP A 53 -5.780 -2.494 -12.173 1.00 0.00 C ATOM 751 C ASP A 53 -6.764 -2.143 -11.062 1.00 0.00 C ATOM 752 O ASP A 53 -7.400 -1.089 -11.092 1.00 0.00 O ATOM 753 CB ASP A 53 -6.373 -3.580 -13.072 1.00 0.00 C ATOM 754 CG ASP A 53 -7.180 -3.006 -14.220 1.00 0.00 C ATOM 755 OD1 ASP A 53 -7.845 -1.968 -14.017 1.00 0.00 O ATOM 756 OD2 ASP A 53 -7.145 -3.593 -15.321 1.00 0.00 O ATOM 0 H ASP A 53 -4.270 -3.907 -11.825 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.598 -1.599 -12.768 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.568 -4.197 -13.471 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.010 -4.233 -12.476 1.00 0.00 H new ATOM 761 N ILE A 54 -6.886 -3.034 -10.083 1.00 0.00 N ATOM 762 CA ILE A 54 -7.792 -2.817 -8.962 1.00 0.00 C ATOM 763 C ILE A 54 -7.118 -3.156 -7.637 1.00 0.00 C ATOM 764 O ILE A 54 -7.078 -4.316 -7.227 1.00 0.00 O ATOM 765 CB ILE A 54 -9.073 -3.661 -9.104 1.00 0.00 C ATOM 766 CG1 ILE A 54 -9.718 -3.423 -10.471 1.00 0.00 C ATOM 767 CG2 ILE A 54 -10.052 -3.329 -7.986 1.00 0.00 C ATOM 768 CD1 ILE A 54 -11.042 -4.134 -10.646 1.00 0.00 C ATOM 0 H ILE A 54 -6.369 -3.912 -10.044 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.059 -1.760 -8.971 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.806 -4.715 -9.027 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.868 -2.353 -10.612 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.031 -3.754 -11.250 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.952 -3.933 -8.099 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.590 -3.544 -7.022 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.315 -2.272 -8.035 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.441 -3.920 -11.637 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.895 -5.209 -10.538 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.745 -3.786 -9.889 1.00 0.00 H new ATOM 780 N TYR A 55 -6.592 -2.135 -6.970 1.00 0.00 N ATOM 781 CA TYR A 55 -5.919 -2.323 -5.690 1.00 0.00 C ATOM 782 C TYR A 55 -6.910 -2.745 -4.610 1.00 0.00 C ATOM 783 O TYR A 55 -8.045 -2.269 -4.573 1.00 0.00 O ATOM 784 CB TYR A 55 -5.207 -1.036 -5.270 1.00 0.00 C ATOM 785 CG TYR A 55 -4.925 -0.957 -3.787 1.00 0.00 C ATOM 786 CD1 TYR A 55 -4.124 -1.903 -3.160 1.00 0.00 C ATOM 787 CD2 TYR A 55 -5.460 0.066 -3.012 1.00 0.00 C ATOM 788 CE1 TYR A 55 -3.864 -1.834 -1.805 1.00 0.00 C ATOM 789 CE2 TYR A 55 -5.204 0.143 -1.657 1.00 0.00 C ATOM 790 CZ TYR A 55 -4.407 -0.810 -1.058 1.00 0.00 C ATOM 791 OH TYR A 55 -4.149 -0.737 0.292 1.00 0.00 O ATOM 0 H TYR A 55 -6.619 -1.168 -7.294 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.181 -3.116 -5.810 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.266 -0.957 -5.815 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.817 -0.181 -5.561 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.697 -2.706 -3.742 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.086 0.813 -3.477 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.239 -2.578 -1.333 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.626 0.945 -1.070 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.680 -0.015 0.688 1.00 0.00 H new ATOM 801 N HIS A 56 -6.473 -3.642 -3.732 1.00 0.00 N ATOM 802 CA HIS A 56 -7.320 -4.128 -2.649 1.00 0.00 C ATOM 803 C HIS A 56 -6.710 -3.796 -1.291 1.00 0.00 C ATOM 804 O HIS A 56 -5.661 -4.326 -0.923 1.00 0.00 O ATOM 805 CB HIS A 56 -7.526 -5.638 -2.773 1.00 0.00 C ATOM 806 CG HIS A 56 -8.485 -6.025 -3.857 1.00 0.00 C ATOM 807 ND1 HIS A 56 -8.915 -7.320 -4.054 1.00 0.00 N ATOM 808 CD2 HIS A 56 -9.099 -5.278 -4.804 1.00 0.00 C ATOM 809 CE1 HIS A 56 -9.751 -7.353 -5.077 1.00 0.00 C ATOM 810 NE2 HIS A 56 -9.880 -6.126 -5.549 1.00 0.00 N ATOM 0 H HIS A 56 -5.537 -4.047 -3.749 1.00 0.00 H new ATOM 0 HA HIS A 56 -8.286 -3.629 -2.725 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.564 -6.113 -2.964 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.890 -6.026 -1.822 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -8.632 -8.126 -3.497 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -8.994 -4.213 -4.947 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.245 -8.233 -5.462 1.00 0.00 H new ATOM 819 N CYS A 57 -7.373 -2.915 -0.550 1.00 0.00 N ATOM 820 CA CYS A 57 -6.896 -2.510 0.767 1.00 0.00 C ATOM 821 C CYS A 57 -6.716 -3.722 1.677 1.00 0.00 C ATOM 822 O CYS A 57 -7.330 -4.772 1.482 1.00 0.00 O ATOM 823 CB CYS A 57 -7.874 -1.521 1.405 1.00 0.00 C ATOM 824 SG CYS A 57 -9.375 -2.295 2.089 1.00 0.00 S ATOM 0 H CYS A 57 -8.243 -2.467 -0.839 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.928 -2.024 0.642 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.361 -0.982 2.201 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.167 -0.783 0.658 1.00 0.00 H new ATOM 829 N PRO A 58 -5.855 -3.576 2.694 1.00 0.00 N ATOM 830 CA PRO A 58 -5.574 -4.647 3.654 1.00 0.00 C ATOM 831 C PRO A 58 -6.760 -4.930 4.571 1.00 0.00 C ATOM 832 O PRO A 58 -6.654 -5.714 5.514 1.00 0.00 O ATOM 833 CB PRO A 58 -4.394 -4.100 4.461 1.00 0.00 C ATOM 834 CG PRO A 58 -4.511 -2.620 4.349 1.00 0.00 C ATOM 835 CD PRO A 58 -5.089 -2.352 2.986 1.00 0.00 C ATOM 0 HA PRO A 58 -5.366 -5.595 3.157 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -4.442 -4.423 5.501 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.444 -4.453 4.061 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -5.155 -2.219 5.132 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -3.538 -2.142 4.461 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.728 -1.469 2.987 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.308 -2.180 2.245 1.00 0.00 H new ATOM 843 N ASP A 59 -7.887 -4.288 4.286 1.00 0.00 N ATOM 844 CA ASP A 59 -9.094 -4.472 5.084 1.00 0.00 C ATOM 845 C ASP A 59 -10.120 -5.313 4.331 1.00 0.00 C ATOM 846 O ASP A 59 -10.965 -5.972 4.939 1.00 0.00 O ATOM 847 CB ASP A 59 -9.699 -3.116 5.453 1.00 0.00 C ATOM 848 CG ASP A 59 -10.395 -3.139 6.799 1.00 0.00 C ATOM 849 OD1 ASP A 59 -9.713 -2.923 7.823 1.00 0.00 O ATOM 850 OD2 ASP A 59 -11.621 -3.375 6.830 1.00 0.00 O ATOM 0 H ASP A 59 -7.990 -3.636 3.509 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.819 -4.999 5.998 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.912 -2.362 5.467 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.412 -2.818 4.684 1.00 0.00 H new ATOM 855 N CYS A 60 -10.043 -5.284 3.005 1.00 0.00 N ATOM 856 CA CYS A 60 -10.965 -6.042 2.168 1.00 0.00 C ATOM 857 C CYS A 60 -10.346 -7.370 1.741 1.00 0.00 C ATOM 858 O CYS A 60 -11.043 -8.375 1.604 1.00 0.00 O ATOM 859 CB CYS A 60 -11.353 -5.227 0.932 1.00 0.00 C ATOM 860 SG CYS A 60 -12.166 -3.642 1.313 1.00 0.00 S ATOM 0 H CYS A 60 -9.351 -4.743 2.487 1.00 0.00 H new ATOM 0 HA CYS A 60 -11.860 -6.250 2.754 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -10.457 -5.031 0.343 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -12.019 -5.825 0.310 1.00 0.00 H new ATOM 865 N GLU A 61 -9.033 -7.365 1.533 1.00 0.00 N ATOM 866 CA GLU A 61 -8.321 -8.569 1.121 1.00 0.00 C ATOM 867 C GLU A 61 -8.596 -9.720 2.085 1.00 0.00 C ATOM 868 O GLU A 61 -8.504 -10.890 1.714 1.00 0.00 O ATOM 869 CB GLU A 61 -6.817 -8.299 1.048 1.00 0.00 C ATOM 870 CG GLU A 61 -5.975 -9.561 0.965 1.00 0.00 C ATOM 871 CD GLU A 61 -4.526 -9.322 1.344 1.00 0.00 C ATOM 872 OE1 GLU A 61 -4.100 -8.148 1.346 1.00 0.00 O ATOM 873 OE2 GLU A 61 -3.819 -10.308 1.638 1.00 0.00 O ATOM 0 H GLU A 61 -8.441 -6.541 1.643 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.680 -8.852 0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.610 -7.676 0.178 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.516 -7.729 1.927 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.398 -10.320 1.623 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.021 -9.958 -0.049 1.00 0.00 H new ATOM 880 N ALA A 62 -8.933 -9.379 3.324 1.00 0.00 N ATOM 881 CA ALA A 62 -9.223 -10.382 4.341 1.00 0.00 C ATOM 882 C ALA A 62 -10.544 -11.088 4.055 1.00 0.00 C ATOM 883 O ALA A 62 -10.940 -12.003 4.778 1.00 0.00 O ATOM 884 CB ALA A 62 -9.253 -9.741 5.721 1.00 0.00 C ATOM 0 H ALA A 62 -9.012 -8.415 3.648 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.429 -11.129 4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.471 -10.502 6.471 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.284 -9.289 5.933 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.026 -8.973 5.749 1.00 0.00 H new ATOM 890 N VAL A 63 -11.222 -10.659 2.995 1.00 0.00 N ATOM 891 CA VAL A 63 -12.498 -11.250 2.613 1.00 0.00 C ATOM 892 C VAL A 63 -12.558 -11.506 1.111 1.00 0.00 C ATOM 893 O VAL A 63 -12.890 -12.607 0.671 1.00 0.00 O ATOM 894 CB VAL A 63 -13.679 -10.347 3.016 1.00 0.00 C ATOM 895 CG1 VAL A 63 -15.000 -11.073 2.813 1.00 0.00 C ATOM 896 CG2 VAL A 63 -13.530 -9.888 4.459 1.00 0.00 C ATOM 0 H VAL A 63 -10.908 -9.904 2.386 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.578 -12.199 3.144 1.00 0.00 H new ATOM 0 HB VAL A 63 -13.675 -9.465 2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.823 -10.419 3.103 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -15.107 -11.347 1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -15.018 -11.974 3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -14.373 -9.251 4.727 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -13.508 -10.757 5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -12.602 -9.327 4.568 1.00 0.00 H new ATOM 906 N PHE A 64 -12.234 -10.482 0.329 1.00 0.00 N ATOM 907 CA PHE A 64 -12.251 -10.595 -1.125 1.00 0.00 C ATOM 908 C PHE A 64 -11.034 -11.369 -1.624 1.00 0.00 C ATOM 909 O PHE A 64 -11.156 -12.274 -2.448 1.00 0.00 O ATOM 910 CB PHE A 64 -12.284 -9.206 -1.765 1.00 0.00 C ATOM 911 CG PHE A 64 -13.649 -8.580 -1.767 1.00 0.00 C ATOM 912 CD1 PHE A 64 -14.109 -7.884 -0.661 1.00 0.00 C ATOM 913 CD2 PHE A 64 -14.474 -8.687 -2.876 1.00 0.00 C ATOM 914 CE1 PHE A 64 -15.365 -7.306 -0.660 1.00 0.00 C ATOM 915 CE2 PHE A 64 -15.730 -8.111 -2.881 1.00 0.00 C ATOM 916 CZ PHE A 64 -16.176 -7.421 -1.771 1.00 0.00 C ATOM 0 H PHE A 64 -11.956 -9.564 0.677 1.00 0.00 H new ATOM 0 HA PHE A 64 -13.150 -11.141 -1.412 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -11.594 -8.552 -1.232 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -11.925 -9.279 -2.792 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -13.479 -7.792 0.211 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -14.131 -9.227 -3.746 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -15.711 -6.765 0.209 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -16.362 -8.200 -3.752 1.00 0.00 H new ATOM 0 HZ PHE A 64 -17.158 -6.972 -1.772 1.00 0.00 H new ATOM 926 N GLY A 65 -9.860 -11.004 -1.118 1.00 0.00 N ATOM 927 CA GLY A 65 -8.637 -11.672 -1.524 1.00 0.00 C ATOM 928 C GLY A 65 -7.582 -10.702 -2.017 1.00 0.00 C ATOM 929 O GLY A 65 -7.516 -9.551 -1.584 1.00 0.00 O ATOM 0 H GLY A 65 -9.734 -10.258 -0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.240 -12.239 -0.682 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.863 -12.389 -2.313 1.00 0.00 H new ATOM 933 N PRO A 66 -6.731 -11.167 -2.943 1.00 0.00 N ATOM 934 CA PRO A 66 -5.657 -10.349 -3.514 1.00 0.00 C ATOM 935 C PRO A 66 -6.189 -9.243 -4.418 1.00 0.00 C ATOM 936 O PRO A 66 -7.387 -9.178 -4.696 1.00 0.00 O ATOM 937 CB PRO A 66 -4.837 -11.355 -4.325 1.00 0.00 C ATOM 938 CG PRO A 66 -5.799 -12.441 -4.665 1.00 0.00 C ATOM 939 CD PRO A 66 -6.751 -12.529 -3.504 1.00 0.00 C ATOM 0 HA PRO A 66 -5.083 -9.834 -2.743 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.424 -10.896 -5.223 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.996 -11.738 -3.747 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.331 -12.216 -5.590 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.281 -13.388 -4.818 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.752 -12.816 -3.826 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.426 -13.270 -2.773 1.00 0.00 H new ATOM 947 N SER A 67 -5.292 -8.374 -4.875 1.00 0.00 N ATOM 948 CA SER A 67 -5.673 -7.269 -5.745 1.00 0.00 C ATOM 949 C SER A 67 -5.532 -7.659 -7.213 1.00 0.00 C ATOM 950 O SER A 67 -4.624 -8.404 -7.584 1.00 0.00 O ATOM 951 CB SER A 67 -4.814 -6.038 -5.448 1.00 0.00 C ATOM 952 OG SER A 67 -3.434 -6.341 -5.561 1.00 0.00 O ATOM 0 H SER A 67 -4.297 -8.415 -4.657 1.00 0.00 H new ATOM 0 HA SER A 67 -6.718 -7.030 -5.550 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.071 -5.235 -6.139 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.029 -5.674 -4.443 1.00 0.00 H new ATOM 0 HG SER A 67 -2.906 -5.538 -5.368 1.00 0.00 H new ATOM 958 N ILE A 68 -6.436 -7.151 -8.044 1.00 0.00 N ATOM 959 CA ILE A 68 -6.412 -7.445 -9.471 1.00 0.00 C ATOM 960 C ILE A 68 -5.239 -6.752 -10.156 1.00 0.00 C ATOM 961 O ILE A 68 -4.697 -5.774 -9.642 1.00 0.00 O ATOM 962 CB ILE A 68 -7.721 -7.013 -10.158 1.00 0.00 C ATOM 963 CG1 ILE A 68 -8.928 -7.491 -9.348 1.00 0.00 C ATOM 964 CG2 ILE A 68 -7.780 -7.557 -11.577 1.00 0.00 C ATOM 965 CD1 ILE A 68 -8.999 -8.994 -9.199 1.00 0.00 C ATOM 0 H ILE A 68 -7.194 -6.534 -7.753 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.300 -8.525 -9.568 1.00 0.00 H new ATOM 0 HB ILE A 68 -7.747 -5.924 -10.207 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -8.893 -7.037 -8.358 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.841 -7.138 -9.829 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.711 -7.243 -12.049 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.936 -7.173 -12.149 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.736 -8.646 -11.551 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -9.879 -9.260 -8.614 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.065 -9.455 -10.185 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.104 -9.352 -8.691 1.00 0.00 H new ATOM 977 N MET A 69 -4.853 -7.264 -11.320 1.00 0.00 N ATOM 978 CA MET A 69 -3.746 -6.692 -12.077 1.00 0.00 C ATOM 979 C MET A 69 -4.163 -6.403 -13.516 1.00 0.00 C ATOM 980 O MET A 69 -4.892 -7.183 -14.130 1.00 0.00 O ATOM 981 CB MET A 69 -2.546 -7.640 -12.063 1.00 0.00 C ATOM 982 CG MET A 69 -1.878 -7.754 -10.702 1.00 0.00 C ATOM 983 SD MET A 69 -0.111 -8.095 -10.822 1.00 0.00 S ATOM 984 CE MET A 69 0.563 -6.441 -10.693 1.00 0.00 C ATOM 0 H MET A 69 -5.290 -8.074 -11.759 1.00 0.00 H new ATOM 0 HA MET A 69 -3.463 -5.752 -11.603 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.871 -8.630 -12.383 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.812 -7.295 -12.791 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.028 -6.827 -10.149 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.359 -8.548 -10.131 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.624 -6.460 -10.944 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.038 -5.780 -11.382 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.438 -6.076 -9.674 1.00 0.00 H new ATOM 994 N LYS A 70 -3.697 -5.278 -14.048 1.00 0.00 N ATOM 995 CA LYS A 70 -4.021 -4.886 -15.415 1.00 0.00 C ATOM 996 C LYS A 70 -3.640 -5.986 -16.400 1.00 0.00 C ATOM 997 O LYS A 70 -2.971 -6.953 -16.038 1.00 0.00 O ATOM 998 CB LYS A 70 -3.298 -3.587 -15.779 1.00 0.00 C ATOM 999 CG LYS A 70 -3.743 -2.392 -14.955 1.00 0.00 C ATOM 1000 CD LYS A 70 -3.248 -1.086 -15.554 1.00 0.00 C ATOM 1001 CE LYS A 70 -3.346 0.058 -14.556 1.00 0.00 C ATOM 1002 NZ LYS A 70 -3.111 1.379 -15.201 1.00 0.00 N ATOM 0 H LYS A 70 -3.093 -4.621 -13.553 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.097 -4.725 -15.476 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.225 -3.729 -15.648 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.464 -3.372 -16.835 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.831 -2.376 -14.894 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.368 -2.491 -13.936 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.213 -1.201 -15.876 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.833 -0.847 -16.442 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.332 0.051 -14.092 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.617 -0.092 -13.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.186 2.132 -14.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.160 1.395 -15.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.822 1.534 -15.944 1.00 0.00 H new ATOM 1016 N ASN A 71 -4.069 -5.830 -17.649 1.00 0.00 N ATOM 1017 CA ASN A 71 -3.772 -6.810 -18.687 1.00 0.00 C ATOM 1018 C ASN A 71 -2.691 -6.292 -19.630 1.00 0.00 C ATOM 1019 O ASN A 71 -2.670 -6.633 -20.813 1.00 0.00 O ATOM 1020 CB ASN A 71 -5.038 -7.145 -19.479 1.00 0.00 C ATOM 1021 CG ASN A 71 -4.977 -8.522 -20.111 1.00 0.00 C ATOM 1022 OD1 ASN A 71 -4.941 -8.655 -21.334 1.00 0.00 O ATOM 1023 ND2 ASN A 71 -4.966 -9.556 -19.277 1.00 0.00 N ATOM 0 H ASN A 71 -4.623 -5.034 -17.966 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.404 -7.715 -18.203 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.902 -7.090 -18.817 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.185 -6.397 -20.258 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.926 -10.507 -19.644 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.997 -9.399 -18.270 1.00 0.00 H new ATOM 1030 N TRP A 72 -1.795 -5.469 -19.098 1.00 0.00 N ATOM 1031 CA TRP A 72 -0.710 -4.905 -19.893 1.00 0.00 C ATOM 1032 C TRP A 72 0.451 -4.477 -19.002 1.00 0.00 C ATOM 1033 O TRP A 72 0.283 -3.660 -18.096 1.00 0.00 O ATOM 1034 CB TRP A 72 -1.213 -3.710 -20.705 1.00 0.00 C ATOM 1035 CG TRP A 72 -1.557 -2.521 -19.861 1.00 0.00 C ATOM 1036 CD1 TRP A 72 -2.784 -2.204 -19.353 1.00 0.00 C ATOM 1037 CD2 TRP A 72 -0.663 -1.489 -19.429 1.00 0.00 C ATOM 1038 NE1 TRP A 72 -2.708 -1.038 -18.631 1.00 0.00 N ATOM 1039 CE2 TRP A 72 -1.417 -0.579 -18.662 1.00 0.00 C ATOM 1040 CE3 TRP A 72 0.700 -1.246 -19.614 1.00 0.00 C ATOM 1041 CZ2 TRP A 72 -0.851 0.553 -18.083 1.00 0.00 C ATOM 1042 CZ3 TRP A 72 1.260 -0.121 -19.039 1.00 0.00 C ATOM 1043 CH2 TRP A 72 0.486 0.767 -18.280 1.00 0.00 C ATOM 0 H TRP A 72 -1.798 -5.177 -18.121 1.00 0.00 H new ATOM 0 HA TRP A 72 -0.355 -5.676 -20.577 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.449 -3.424 -21.428 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.094 -4.010 -21.273 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -3.683 -2.785 -19.498 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -3.486 -0.587 -18.150 1.00 0.00 H new ATOM 0 HE3 TRP A 72 1.305 -1.925 -20.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.446 1.239 -17.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 2.313 0.077 -19.177 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.954 1.637 -17.842 1.00 0.00 H new ATOM 1054 N HIS A 73 1.630 -5.034 -19.265 1.00 0.00 N ATOM 1055 CA HIS A 73 2.820 -4.708 -18.486 1.00 0.00 C ATOM 1056 C HIS A 73 3.736 -3.767 -19.263 1.00 0.00 C ATOM 1057 O HIS A 73 3.590 -3.602 -20.474 1.00 0.00 O ATOM 1058 CB HIS A 73 3.576 -5.983 -18.114 1.00 0.00 C ATOM 1059 CG HIS A 73 4.875 -5.727 -17.415 1.00 0.00 C ATOM 1060 ND1 HIS A 73 6.095 -5.764 -18.056 1.00 0.00 N ATOM 1061 CD2 HIS A 73 5.141 -5.425 -16.122 1.00 0.00 C ATOM 1062 CE1 HIS A 73 7.055 -5.499 -17.188 1.00 0.00 C ATOM 1063 NE2 HIS A 73 6.502 -5.289 -16.007 1.00 0.00 N ATOM 0 H HIS A 73 1.786 -5.712 -20.011 1.00 0.00 H new ATOM 0 HA HIS A 73 2.501 -4.205 -17.573 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.943 -6.597 -17.473 1.00 0.00 H new ATOM 0 HB3 HIS A 73 3.767 -6.559 -19.019 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.417 -5.312 -15.329 1.00 0.00 H new ATOM 0 HE1 HIS A 73 8.112 -5.461 -17.407 1.00 0.00 H new ATOM 0 HE2 HIS A 73 7.005 -5.063 -15.149 1.00 0.00 H new ATOM 1072 N SER A 74 4.679 -3.152 -18.557 1.00 0.00 N ATOM 1073 CA SER A 74 5.617 -2.224 -19.179 1.00 0.00 C ATOM 1074 C SER A 74 6.869 -2.061 -18.323 1.00 0.00 C ATOM 1075 O SER A 74 6.802 -1.600 -17.185 1.00 0.00 O ATOM 1076 CB SER A 74 4.952 -0.862 -19.394 1.00 0.00 C ATOM 1077 OG SER A 74 5.859 0.063 -19.968 1.00 0.00 O ATOM 0 H SER A 74 4.814 -3.279 -17.554 1.00 0.00 H new ATOM 0 HA SER A 74 5.910 -2.635 -20.145 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.084 -0.976 -20.044 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.589 -0.477 -18.441 1.00 0.00 H new ATOM 0 HG SER A 74 5.410 0.925 -20.097 1.00 0.00 H new ATOM 1083 N GLY A 75 8.013 -2.445 -18.881 1.00 0.00 N ATOM 1084 CA GLY A 75 9.266 -2.335 -18.156 1.00 0.00 C ATOM 1085 C GLY A 75 9.334 -3.276 -16.970 1.00 0.00 C ATOM 1086 O GLY A 75 8.363 -3.450 -16.232 1.00 0.00 O ATOM 0 H GLY A 75 8.095 -2.830 -19.822 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.094 -2.548 -18.833 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.393 -1.309 -17.810 1.00 0.00 H new ATOM 1090 N PRO A 76 10.503 -3.904 -16.774 1.00 0.00 N ATOM 1091 CA PRO A 76 10.721 -4.844 -15.670 1.00 0.00 C ATOM 1092 C PRO A 76 10.755 -4.148 -14.314 1.00 0.00 C ATOM 1093 O PRO A 76 11.778 -3.591 -13.917 1.00 0.00 O ATOM 1094 CB PRO A 76 12.086 -5.457 -15.991 1.00 0.00 C ATOM 1095 CG PRO A 76 12.778 -4.429 -16.818 1.00 0.00 C ATOM 1096 CD PRO A 76 11.702 -3.744 -17.614 1.00 0.00 C ATOM 0 HA PRO A 76 9.917 -5.576 -15.593 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.646 -5.676 -15.081 1.00 0.00 H new ATOM 0 HB3 PRO A 76 11.980 -6.396 -16.534 1.00 0.00 H new ATOM 0 HG2 PRO A 76 13.311 -3.716 -16.189 1.00 0.00 H new ATOM 0 HG3 PRO A 76 13.516 -4.889 -17.475 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.936 -2.693 -17.785 1.00 0.00 H new ATOM 0 HD3 PRO A 76 11.571 -4.205 -18.593 1.00 0.00 H new ATOM 1104 N SER A 77 9.630 -4.184 -13.607 1.00 0.00 N ATOM 1105 CA SER A 77 9.530 -3.553 -12.296 1.00 0.00 C ATOM 1106 C SER A 77 9.368 -4.601 -11.200 1.00 0.00 C ATOM 1107 O SER A 77 10.123 -4.622 -10.228 1.00 0.00 O ATOM 1108 CB SER A 77 8.352 -2.578 -12.264 1.00 0.00 C ATOM 1109 OG SER A 77 8.075 -2.156 -10.940 1.00 0.00 O ATOM 0 H SER A 77 8.775 -4.643 -13.920 1.00 0.00 H new ATOM 0 HA SER A 77 10.453 -3.002 -12.114 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.576 -1.711 -12.886 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.469 -3.055 -12.689 1.00 0.00 H new ATOM 0 HG SER A 77 7.301 -2.649 -10.595 1.00 0.00 H new ATOM 1115 N SER A 78 8.375 -5.470 -11.363 1.00 0.00 N ATOM 1116 CA SER A 78 8.110 -6.520 -10.387 1.00 0.00 C ATOM 1117 C SER A 78 7.448 -7.724 -11.050 1.00 0.00 C ATOM 1118 O SER A 78 6.526 -7.577 -11.851 1.00 0.00 O ATOM 1119 CB SER A 78 7.217 -5.987 -9.264 1.00 0.00 C ATOM 1120 OG SER A 78 7.303 -6.807 -8.111 1.00 0.00 O ATOM 0 H SER A 78 7.741 -5.467 -12.162 1.00 0.00 H new ATOM 0 HA SER A 78 9.063 -6.839 -9.965 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.513 -4.968 -9.013 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.183 -5.943 -9.607 1.00 0.00 H new ATOM 0 HG SER A 78 6.725 -6.444 -7.408 1.00 0.00 H new ATOM 1126 N GLY A 79 7.925 -8.917 -10.708 1.00 0.00 N ATOM 1127 CA GLY A 79 7.369 -10.130 -11.279 1.00 0.00 C ATOM 1128 C GLY A 79 5.938 -10.372 -10.844 1.00 0.00 C ATOM 1129 O GLY A 79 5.019 -9.934 -11.535 1.00 0.00 O ATOM 0 H GLY A 79 8.686 -9.065 -10.046 1.00 0.00 H new ATOM 0 HA2 GLY A 79 7.409 -10.068 -12.366 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.984 -10.981 -10.985 1.00 0.00 H new TER 1133 GLY A 79 HETATM 1134 ZN ZN A 201 -0.142 5.139 5.783 1.00 0.00 ZN HETATM 1135 ZN ZN A 401 -11.033 -1.761 0.545 1.00 0.00 ZN