USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 410 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 Single : A 1 ASP N :NH3+ -173:sc= 0 (180deg=-0.0419) USER MOD Single : A 8 TYR OH : rot 150:sc= 0.237 USER MOD Single : A 9 THR OG1 : rot -84:sc= 1.23 USER MOD Single : A 13 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.033) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.642 USER MOD Single : A 22 ASN : amide:sc= -1.54 K(o=-1.5,f=-6!) USER MOD Single : A 24 LYS NZ :NH3+ -148:sc= -0.887 (180deg=-2.37!) USER MOD Single : A 29 GLN : amide:sc= -0.761 K(o=-0.76,f=-2.4!) USER MOD Single : A 30 THR OG1 : rot 30:sc= 0.0885 USER MOD Single : A 33 TYR OH : rot 180:sc=-0.00621 USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0396) USER MOD Single : A 41 ASN : amide:sc= -5.08! K(o=-5.1!,f=-2) USER MOD Single : A 42 ASN : amide:sc= -4.53! K(o=-4.5!,f=-2.6) USER MOD Single : A 44 LYS NZ :NH3+ -173:sc= -0.0418 (180deg=-0.145) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 173:sc= 0 (180deg=-0.0586) USER MOD Single : A 52 THR OG1 : rot 74:sc= 0.0873 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -9.893 15.917 4.684 1.00 0.00 N ATOM 2 CA ASP A 1 -9.546 14.970 3.590 1.00 0.00 C ATOM 3 C ASP A 1 -8.035 14.763 3.506 1.00 0.00 C ATOM 4 O ASP A 1 -7.278 15.722 3.317 1.00 0.00 O ATOM 5 CB ASP A 1 -10.087 15.522 2.262 1.00 0.00 C ATOM 6 CG ASP A 1 -11.604 15.608 2.230 1.00 0.00 C ATOM 7 OD1 ASP A 1 -12.263 14.555 2.360 1.00 0.00 O ATOM 8 OD2 ASP A 1 -12.131 16.730 2.076 1.00 0.00 O ATOM 0 H1 ASP A 1 -10.926 15.951 4.799 1.00 0.00 H new ATOM 0 H2 ASP A 1 -9.456 15.597 5.572 1.00 0.00 H new ATOM 0 H3 ASP A 1 -9.540 16.866 4.447 1.00 0.00 H new ATOM 0 HA ASP A 1 -10.001 14.001 3.797 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -9.668 16.514 2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -9.747 14.886 1.445 1.00 0.00 H new ATOM 15 N PHE A 2 -7.606 13.504 3.659 1.00 0.00 N ATOM 16 CA PHE A 2 -6.182 13.149 3.612 1.00 0.00 C ATOM 17 C PHE A 2 -5.954 11.849 2.825 1.00 0.00 C ATOM 18 O PHE A 2 -4.910 11.670 2.192 1.00 0.00 O ATOM 19 CB PHE A 2 -5.618 13.018 5.047 1.00 0.00 C ATOM 20 CG PHE A 2 -6.105 11.809 5.817 1.00 0.00 C ATOM 21 CD1 PHE A 2 -7.342 11.810 6.449 1.00 0.00 C ATOM 22 CD2 PHE A 2 -5.320 10.670 5.891 1.00 0.00 C ATOM 23 CE1 PHE A 2 -7.780 10.693 7.140 1.00 0.00 C ATOM 24 CE2 PHE A 2 -5.754 9.555 6.579 1.00 0.00 C ATOM 25 CZ PHE A 2 -6.985 9.565 7.204 1.00 0.00 C ATOM 0 H PHE A 2 -8.228 12.711 3.817 1.00 0.00 H new ATOM 0 HA PHE A 2 -5.652 13.948 3.093 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -4.530 12.981 4.992 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -5.878 13.916 5.607 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -7.967 12.689 6.401 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -4.356 10.654 5.404 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -8.743 10.704 7.629 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -5.131 8.675 6.628 1.00 0.00 H new ATOM 0 HZ PHE A 2 -7.326 8.693 7.742 1.00 0.00 H new ATOM 35 N CYS A 3 -6.941 10.944 2.901 1.00 0.00 N ATOM 36 CA CYS A 3 -6.884 9.635 2.236 1.00 0.00 C ATOM 37 C CYS A 3 -7.165 9.719 0.729 1.00 0.00 C ATOM 38 O CYS A 3 -6.800 8.808 -0.018 1.00 0.00 O ATOM 39 CB CYS A 3 -7.888 8.691 2.895 1.00 0.00 C ATOM 40 SG CYS A 3 -7.823 6.972 2.291 1.00 0.00 S ATOM 0 H CYS A 3 -7.802 11.100 3.426 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.868 9.256 2.349 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -7.714 8.691 3.971 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -8.893 9.081 2.734 1.00 0.00 H new ATOM 45 N LEU A 4 -7.814 10.806 0.290 1.00 0.00 N ATOM 46 CA LEU A 4 -8.141 10.999 -1.127 1.00 0.00 C ATOM 47 C LEU A 4 -6.997 11.699 -1.891 1.00 0.00 C ATOM 48 O LEU A 4 -7.218 12.321 -2.939 1.00 0.00 O ATOM 49 CB LEU A 4 -9.479 11.765 -1.266 1.00 0.00 C ATOM 50 CG LEU A 4 -9.660 13.053 -0.431 1.00 0.00 C ATOM 51 CD1 LEU A 4 -8.873 14.225 -1.008 1.00 0.00 C ATOM 52 CD2 LEU A 4 -11.136 13.406 -0.339 1.00 0.00 C ATOM 0 H LEU A 4 -8.123 11.565 0.897 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.261 10.017 -1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.609 12.025 -2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.286 11.080 -1.005 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.267 12.858 0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.030 15.108 -0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.812 13.978 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.214 14.428 -2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.257 14.315 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.535 13.568 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.676 12.589 0.139 1.00 0.00 H new ATOM 64 N GLU A 5 -5.774 11.577 -1.357 1.00 0.00 N ATOM 65 CA GLU A 5 -4.583 12.174 -1.967 1.00 0.00 C ATOM 66 C GLU A 5 -3.844 11.147 -2.839 1.00 0.00 C ATOM 67 O GLU A 5 -3.981 9.941 -2.613 1.00 0.00 O ATOM 68 CB GLU A 5 -3.636 12.717 -0.882 1.00 0.00 C ATOM 69 CG GLU A 5 -4.185 13.912 -0.094 1.00 0.00 C ATOM 70 CD GLU A 5 -4.279 15.210 -0.898 1.00 0.00 C ATOM 71 OE1 GLU A 5 -3.917 15.215 -2.097 1.00 0.00 O ATOM 72 OE2 GLU A 5 -4.719 16.227 -0.320 1.00 0.00 O ATOM 0 H GLU A 5 -5.585 11.065 -0.495 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.907 13.000 -2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.407 11.913 -0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.697 13.009 -1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.176 13.659 0.282 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.549 14.082 0.774 1.00 0.00 H new ATOM 79 N PRO A 6 -3.048 11.596 -3.864 1.00 0.00 N ATOM 80 CA PRO A 6 -2.306 10.680 -4.760 1.00 0.00 C ATOM 81 C PRO A 6 -1.240 9.835 -4.029 1.00 0.00 C ATOM 82 O PRO A 6 -0.573 10.340 -3.121 1.00 0.00 O ATOM 83 CB PRO A 6 -1.636 11.620 -5.773 1.00 0.00 C ATOM 84 CG PRO A 6 -1.605 12.957 -5.116 1.00 0.00 C ATOM 85 CD PRO A 6 -2.820 13.015 -4.237 1.00 0.00 C ATOM 0 HA PRO A 6 -2.976 9.947 -5.209 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.630 11.280 -6.018 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -2.197 11.655 -6.707 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.694 13.083 -4.531 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -1.621 13.756 -5.857 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -2.650 13.638 -3.359 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -3.677 13.434 -4.764 1.00 0.00 H new ATOM 93 N PRO A 7 -1.068 8.529 -4.411 1.00 0.00 N ATOM 94 CA PRO A 7 -0.086 7.606 -3.790 1.00 0.00 C ATOM 95 C PRO A 7 1.357 8.134 -3.792 1.00 0.00 C ATOM 96 O PRO A 7 1.843 8.639 -4.809 1.00 0.00 O ATOM 97 CB PRO A 7 -0.209 6.348 -4.670 1.00 0.00 C ATOM 98 CG PRO A 7 -0.802 6.833 -5.935 1.00 0.00 C ATOM 99 CD PRO A 7 -1.813 7.817 -5.471 1.00 0.00 C ATOM 0 HA PRO A 7 -0.297 7.447 -2.732 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.764 5.887 -4.840 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -0.841 5.595 -4.199 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.055 7.295 -6.580 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.258 6.023 -6.504 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.130 8.487 -6.270 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.711 7.332 -5.087 1.00 0.00 H new ATOM 107 N TYR A 8 2.021 8.010 -2.634 1.00 0.00 N ATOM 108 CA TYR A 8 3.401 8.466 -2.461 1.00 0.00 C ATOM 109 C TYR A 8 4.228 7.412 -1.711 1.00 0.00 C ATOM 110 O TYR A 8 4.115 7.279 -0.486 1.00 0.00 O ATOM 111 CB TYR A 8 3.413 9.814 -1.698 1.00 0.00 C ATOM 112 CG TYR A 8 4.790 10.429 -1.489 1.00 0.00 C ATOM 113 CD1 TYR A 8 5.484 11.020 -2.541 1.00 0.00 C ATOM 114 CD2 TYR A 8 5.386 10.425 -0.231 1.00 0.00 C ATOM 115 CE1 TYR A 8 6.730 11.584 -2.346 1.00 0.00 C ATOM 116 CE2 TYR A 8 6.632 10.989 -0.031 1.00 0.00 C ATOM 117 CZ TYR A 8 7.300 11.566 -1.091 1.00 0.00 C ATOM 118 OH TYR A 8 8.540 12.127 -0.894 1.00 0.00 O ATOM 0 H TYR A 8 1.616 7.592 -1.796 1.00 0.00 H new ATOM 0 HA TYR A 8 3.852 8.611 -3.443 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.793 10.527 -2.242 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.947 9.666 -0.724 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.041 11.038 -3.526 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.867 9.974 0.602 1.00 0.00 H new ATOM 0 HE1 TYR A 8 7.255 12.037 -3.174 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.081 10.978 0.951 1.00 0.00 H new ATOM 0 HH TYR A 8 8.603 12.468 0.023 1.00 0.00 H new ATOM 128 N THR A 9 5.067 6.672 -2.449 1.00 0.00 N ATOM 129 CA THR A 9 5.926 5.646 -1.856 1.00 0.00 C ATOM 130 C THR A 9 7.329 6.224 -1.597 1.00 0.00 C ATOM 131 O THR A 9 7.669 6.550 -0.455 1.00 0.00 O ATOM 132 CB THR A 9 5.981 4.403 -2.776 1.00 0.00 C ATOM 133 OG1 THR A 9 4.673 3.964 -3.097 1.00 0.00 O ATOM 134 CG2 THR A 9 6.719 3.214 -2.178 1.00 0.00 C ATOM 0 H THR A 9 5.167 6.768 -3.460 1.00 0.00 H new ATOM 0 HA THR A 9 5.511 5.331 -0.898 1.00 0.00 H new ATOM 0 HB THR A 9 6.530 4.736 -3.657 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.339 3.381 -2.383 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.711 2.386 -2.887 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.749 3.496 -1.962 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.226 2.906 -1.256 1.00 0.00 H new ATOM 142 N GLY A 10 8.134 6.327 -2.666 1.00 0.00 N ATOM 143 CA GLY A 10 9.489 6.841 -2.558 1.00 0.00 C ATOM 144 C GLY A 10 10.524 5.768 -2.875 1.00 0.00 C ATOM 145 O GLY A 10 10.281 4.594 -2.582 1.00 0.00 O ATOM 0 H GLY A 10 7.861 6.058 -3.611 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.615 7.682 -3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.655 7.221 -1.550 1.00 0.00 H new ATOM 149 N PRO A 11 11.700 6.123 -3.483 1.00 0.00 N ATOM 150 CA PRO A 11 12.750 5.146 -3.828 1.00 0.00 C ATOM 151 C PRO A 11 13.495 4.628 -2.585 1.00 0.00 C ATOM 152 O PRO A 11 14.676 4.932 -2.367 1.00 0.00 O ATOM 153 CB PRO A 11 13.697 5.930 -4.763 1.00 0.00 C ATOM 154 CG PRO A 11 13.000 7.217 -5.060 1.00 0.00 C ATOM 155 CD PRO A 11 12.101 7.482 -3.890 1.00 0.00 C ATOM 0 HA PRO A 11 12.337 4.252 -4.296 1.00 0.00 H new ATOM 0 HB2 PRO A 11 14.660 6.108 -4.285 1.00 0.00 H new ATOM 0 HB3 PRO A 11 13.894 5.372 -5.678 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.717 8.027 -5.192 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.426 7.145 -5.984 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.621 8.009 -3.090 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.242 8.093 -4.168 1.00 0.00 H new ATOM 163 N CYS A 12 12.776 3.849 -1.771 1.00 0.00 N ATOM 164 CA CYS A 12 13.328 3.284 -0.541 1.00 0.00 C ATOM 165 C CYS A 12 13.170 1.752 -0.523 1.00 0.00 C ATOM 166 O CYS A 12 13.118 1.123 -1.584 1.00 0.00 O ATOM 167 CB CYS A 12 12.644 3.939 0.670 1.00 0.00 C ATOM 168 SG CYS A 12 12.836 5.751 0.734 1.00 0.00 S ATOM 0 H CYS A 12 11.804 3.595 -1.946 1.00 0.00 H new ATOM 0 HA CYS A 12 14.396 3.494 -0.492 1.00 0.00 H new ATOM 0 HB2 CYS A 12 11.582 3.696 0.650 1.00 0.00 H new ATOM 0 HB3 CYS A 12 13.053 3.507 1.584 1.00 0.00 H new ATOM 173 N LYS A 13 13.092 1.164 0.684 1.00 0.00 N ATOM 174 CA LYS A 13 12.939 -0.285 0.852 1.00 0.00 C ATOM 175 C LYS A 13 11.454 -0.667 0.824 1.00 0.00 C ATOM 176 O LYS A 13 10.914 -1.260 1.768 1.00 0.00 O ATOM 177 CB LYS A 13 13.609 -0.757 2.161 1.00 0.00 C ATOM 178 CG LYS A 13 15.138 -0.697 2.159 1.00 0.00 C ATOM 179 CD LYS A 13 15.667 0.713 2.424 1.00 0.00 C ATOM 180 CE LYS A 13 17.191 0.761 2.417 1.00 0.00 C ATOM 181 NZ LYS A 13 17.760 0.504 1.063 1.00 0.00 N ATOM 0 H LYS A 13 13.133 1.680 1.563 1.00 0.00 H new ATOM 0 HA LYS A 13 13.438 -0.787 0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.237 -0.146 2.983 1.00 0.00 H new ATOM 0 HB3 LYS A 13 13.300 -1.783 2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 13 15.526 -1.376 2.918 1.00 0.00 H new ATOM 0 HG3 LYS A 13 15.511 -1.047 1.197 1.00 0.00 H new ATOM 0 HD2 LYS A 13 15.279 1.394 1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.297 1.064 3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 13 17.523 1.738 2.768 1.00 0.00 H new ATOM 0 HE3 LYS A 13 17.579 0.022 3.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 18.788 0.663 1.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 17.567 -0.480 0.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 17.323 1.149 0.374 1.00 0.00 H new ATOM 195 N ALA A 14 10.807 -0.305 -0.286 1.00 0.00 N ATOM 196 CA ALA A 14 9.382 -0.574 -0.500 1.00 0.00 C ATOM 197 C ALA A 14 9.150 -1.976 -1.073 1.00 0.00 C ATOM 198 O ALA A 14 9.587 -2.287 -2.187 1.00 0.00 O ATOM 199 CB ALA A 14 8.784 0.486 -1.415 1.00 0.00 C ATOM 0 H ALA A 14 11.255 0.183 -1.062 1.00 0.00 H new ATOM 0 HA ALA A 14 8.882 -0.533 0.468 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.725 0.279 -1.569 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.899 1.469 -0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.300 0.471 -2.375 1.00 0.00 H new ATOM 205 N ARG A 15 8.461 -2.814 -0.287 1.00 0.00 N ATOM 206 CA ARG A 15 8.149 -4.200 -0.680 1.00 0.00 C ATOM 207 C ARG A 15 6.744 -4.603 -0.211 1.00 0.00 C ATOM 208 O ARG A 15 6.430 -5.791 -0.059 1.00 0.00 O ATOM 209 CB ARG A 15 9.232 -5.171 -0.129 1.00 0.00 C ATOM 210 CG ARG A 15 9.405 -5.147 1.397 1.00 0.00 C ATOM 211 CD ARG A 15 8.553 -6.208 2.082 1.00 0.00 C ATOM 212 NE ARG A 15 8.347 -5.910 3.504 1.00 0.00 N ATOM 213 CZ ARG A 15 7.750 -6.734 4.377 1.00 0.00 C ATOM 214 NH1 ARG A 15 7.307 -7.933 4.003 1.00 0.00 N ATOM 215 NH2 ARG A 15 7.598 -6.352 5.638 1.00 0.00 N ATOM 0 H ARG A 15 8.105 -2.556 0.633 1.00 0.00 H new ATOM 0 HA ARG A 15 8.158 -4.263 -1.768 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.979 -6.186 -0.436 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.188 -4.927 -0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.454 -5.307 1.646 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.134 -4.162 1.778 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.587 -6.277 1.582 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.034 -7.181 1.981 1.00 0.00 H new ATOM 0 HE ARG A 15 8.682 -5.012 3.853 1.00 0.00 H new ATOM 0 HH11 ARG A 15 7.419 -8.240 3.037 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.856 -8.545 4.683 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.934 -5.437 5.938 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.145 -6.973 6.308 1.00 0.00 H new ATOM 229 N ILE A 16 5.920 -3.592 0.026 1.00 0.00 N ATOM 230 CA ILE A 16 4.548 -3.783 0.501 1.00 0.00 C ATOM 231 C ILE A 16 3.575 -2.942 -0.336 1.00 0.00 C ATOM 232 O ILE A 16 3.631 -1.715 -0.313 1.00 0.00 O ATOM 233 CB ILE A 16 4.430 -3.418 2.022 1.00 0.00 C ATOM 234 CG1 ILE A 16 5.405 -4.276 2.862 1.00 0.00 C ATOM 235 CG2 ILE A 16 2.989 -3.597 2.527 1.00 0.00 C ATOM 236 CD1 ILE A 16 5.727 -3.706 4.235 1.00 0.00 C ATOM 0 H ILE A 16 6.180 -2.614 -0.104 1.00 0.00 H new ATOM 0 HA ILE A 16 4.285 -4.835 0.386 1.00 0.00 H new ATOM 0 HB ILE A 16 4.699 -2.368 2.136 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.978 -5.271 2.987 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.335 -4.396 2.306 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.939 -3.336 3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.322 -2.947 1.961 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.683 -4.635 2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.417 -4.372 4.753 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.187 -2.724 4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.809 -3.613 4.815 1.00 0.00 H new ATOM 248 N ILE A 17 2.676 -3.627 -1.054 1.00 0.00 N ATOM 249 CA ILE A 17 1.665 -2.966 -1.897 1.00 0.00 C ATOM 250 C ILE A 17 0.383 -2.775 -1.093 1.00 0.00 C ATOM 251 O ILE A 17 -0.363 -3.717 -0.808 1.00 0.00 O ATOM 252 CB ILE A 17 1.376 -3.765 -3.220 1.00 0.00 C ATOM 253 CG1 ILE A 17 2.666 -4.035 -4.018 1.00 0.00 C ATOM 254 CG2 ILE A 17 0.378 -3.033 -4.116 1.00 0.00 C ATOM 255 CD1 ILE A 17 3.428 -5.271 -3.578 1.00 0.00 C ATOM 0 H ILE A 17 2.626 -4.646 -1.069 1.00 0.00 H new ATOM 0 HA ILE A 17 2.059 -1.995 -2.198 1.00 0.00 H new ATOM 0 HB ILE A 17 0.945 -4.717 -2.912 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.412 -4.136 -5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.321 -3.168 -3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.204 -3.617 -5.020 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.563 -2.903 -3.582 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.780 -2.057 -4.386 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.321 -5.385 -4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.717 -5.167 -2.532 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.794 -6.150 -3.693 1.00 0.00 H new ATOM 267 N ARG A 18 0.183 -1.523 -0.741 1.00 0.00 N ATOM 268 CA ARG A 18 -0.944 -1.055 0.035 1.00 0.00 C ATOM 269 C ARG A 18 -2.032 -0.467 -0.876 1.00 0.00 C ATOM 270 O ARG A 18 -1.835 -0.353 -2.086 1.00 0.00 O ATOM 271 CB ARG A 18 -0.395 -0.005 0.981 1.00 0.00 C ATOM 272 CG ARG A 18 -0.095 -0.532 2.375 1.00 0.00 C ATOM 273 CD ARG A 18 0.442 0.562 3.283 1.00 0.00 C ATOM 274 NE ARG A 18 0.732 0.065 4.632 1.00 0.00 N ATOM 275 CZ ARG A 18 1.213 0.815 5.635 1.00 0.00 C ATOM 276 NH1 ARG A 18 1.470 2.111 5.466 1.00 0.00 N ATOM 277 NH2 ARG A 18 1.439 0.259 6.818 1.00 0.00 N ATOM 0 H ARG A 18 0.827 -0.775 -0.998 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.414 -1.871 0.584 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.518 0.412 0.556 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.112 0.812 1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.002 -0.953 2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.632 -1.341 2.310 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.350 0.981 2.848 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.285 1.372 3.344 1.00 0.00 H new ATOM 0 HE ARG A 18 0.555 -0.922 4.821 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.301 2.551 4.561 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.835 2.664 6.241 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.247 -0.733 6.960 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.805 0.823 7.585 1.00 0.00 H new ATOM 291 N TYR A 19 -3.177 -0.100 -0.289 1.00 0.00 N ATOM 292 CA TYR A 19 -4.290 0.470 -1.052 1.00 0.00 C ATOM 293 C TYR A 19 -4.485 1.946 -0.719 1.00 0.00 C ATOM 294 O TYR A 19 -4.186 2.385 0.399 1.00 0.00 O ATOM 295 CB TYR A 19 -5.597 -0.296 -0.768 1.00 0.00 C ATOM 296 CG TYR A 19 -5.661 -1.723 -1.302 1.00 0.00 C ATOM 297 CD1 TYR A 19 -4.583 -2.602 -1.199 1.00 0.00 C ATOM 298 CD2 TYR A 19 -6.823 -2.192 -1.902 1.00 0.00 C ATOM 299 CE1 TYR A 19 -4.662 -3.895 -1.680 1.00 0.00 C ATOM 300 CE2 TYR A 19 -6.911 -3.485 -2.382 1.00 0.00 C ATOM 301 CZ TYR A 19 -5.830 -4.332 -2.268 1.00 0.00 C ATOM 302 OH TYR A 19 -5.915 -5.620 -2.746 1.00 0.00 O ATOM 0 H TYR A 19 -3.356 -0.188 0.711 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.043 0.377 -2.109 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.752 -0.325 0.311 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.426 0.269 -1.194 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.668 -2.265 -0.734 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.674 -1.533 -1.995 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.814 -4.559 -1.596 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.824 -3.830 -2.845 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.805 -5.769 -3.129 1.00 0.00 H new ATOM 312 N PHE A 20 -5.019 2.694 -1.693 1.00 0.00 N ATOM 313 CA PHE A 20 -5.305 4.122 -1.531 1.00 0.00 C ATOM 314 C PHE A 20 -6.646 4.435 -2.204 1.00 0.00 C ATOM 315 O PHE A 20 -7.077 3.695 -3.097 1.00 0.00 O ATOM 316 CB PHE A 20 -4.159 4.993 -2.119 1.00 0.00 C ATOM 317 CG PHE A 20 -4.323 5.395 -3.569 1.00 0.00 C ATOM 318 CD1 PHE A 20 -3.900 4.564 -4.591 1.00 0.00 C ATOM 319 CD2 PHE A 20 -4.910 6.610 -3.898 1.00 0.00 C ATOM 320 CE1 PHE A 20 -4.065 4.934 -5.914 1.00 0.00 C ATOM 321 CE2 PHE A 20 -5.073 6.984 -5.217 1.00 0.00 C ATOM 322 CZ PHE A 20 -4.652 6.144 -6.226 1.00 0.00 C ATOM 0 H PHE A 20 -5.264 2.326 -2.612 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.371 4.362 -0.470 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.069 5.898 -1.518 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.222 4.447 -2.016 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.437 3.618 -4.354 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.243 7.271 -3.112 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.734 4.275 -6.704 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.529 7.933 -5.458 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.781 6.432 -7.259 1.00 0.00 H new ATOM 332 N TYR A 21 -7.296 5.525 -1.789 1.00 0.00 N ATOM 333 CA TYR A 21 -8.580 5.914 -2.371 1.00 0.00 C ATOM 334 C TYR A 21 -8.390 6.854 -3.561 1.00 0.00 C ATOM 335 O TYR A 21 -7.695 7.871 -3.458 1.00 0.00 O ATOM 336 CB TYR A 21 -9.469 6.603 -1.321 1.00 0.00 C ATOM 337 CG TYR A 21 -10.859 6.959 -1.830 1.00 0.00 C ATOM 338 CD1 TYR A 21 -11.829 5.982 -2.016 1.00 0.00 C ATOM 339 CD2 TYR A 21 -11.186 8.275 -2.133 1.00 0.00 C ATOM 340 CE1 TYR A 21 -13.086 6.308 -2.486 1.00 0.00 C ATOM 341 CE2 TYR A 21 -12.440 8.609 -2.606 1.00 0.00 C ATOM 342 CZ TYR A 21 -13.387 7.622 -2.781 1.00 0.00 C ATOM 343 OH TYR A 21 -14.639 7.950 -3.248 1.00 0.00 O ATOM 0 H TYR A 21 -6.956 6.149 -1.057 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.066 5.002 -2.716 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.566 5.948 -0.455 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.974 7.512 -0.979 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.597 4.952 -1.790 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.447 9.050 -1.996 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -13.831 5.538 -2.622 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -12.677 9.637 -2.837 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.687 8.916 -3.406 1.00 0.00 H new ATOM 353 N ASN A 22 -9.046 6.516 -4.676 1.00 0.00 N ATOM 354 CA ASN A 22 -9.004 7.324 -5.879 1.00 0.00 C ATOM 355 C ASN A 22 -10.242 8.218 -5.897 1.00 0.00 C ATOM 356 O ASN A 22 -11.372 7.726 -5.752 1.00 0.00 O ATOM 357 CB ASN A 22 -8.968 6.436 -7.123 1.00 0.00 C ATOM 358 CG ASN A 22 -7.840 5.410 -7.112 1.00 0.00 C ATOM 359 OD1 ASN A 22 -7.718 4.614 -6.181 1.00 0.00 O ATOM 360 ND2 ASN A 22 -7.018 5.416 -8.156 1.00 0.00 N ATOM 0 H ASN A 22 -9.617 5.675 -4.761 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.102 7.935 -5.884 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.921 5.914 -7.214 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.865 7.067 -8.006 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.252 4.744 -8.206 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.153 6.092 -8.908 1.00 0.00 H new ATOM 367 N ALA A 23 -10.026 9.521 -6.072 1.00 0.00 N ATOM 368 CA ALA A 23 -11.120 10.493 -6.095 1.00 0.00 C ATOM 369 C ALA A 23 -11.665 10.711 -7.513 1.00 0.00 C ATOM 370 O ALA A 23 -12.451 11.640 -7.746 1.00 0.00 O ATOM 371 CB ALA A 23 -10.649 11.810 -5.486 1.00 0.00 C ATOM 0 H ALA A 23 -9.100 9.930 -6.200 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.941 10.094 -5.499 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.465 12.532 -5.504 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.336 11.643 -4.456 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.809 12.198 -6.062 1.00 0.00 H new ATOM 377 N LYS A 24 -11.263 9.843 -8.453 1.00 0.00 N ATOM 378 CA LYS A 24 -11.725 9.937 -9.838 1.00 0.00 C ATOM 379 C LYS A 24 -12.888 8.986 -10.089 1.00 0.00 C ATOM 380 O LYS A 24 -13.689 9.199 -11.004 1.00 0.00 O ATOM 381 CB LYS A 24 -10.582 9.629 -10.815 1.00 0.00 C ATOM 382 CG LYS A 24 -9.468 10.678 -10.823 1.00 0.00 C ATOM 383 CD LYS A 24 -8.347 10.333 -11.806 1.00 0.00 C ATOM 384 CE LYS A 24 -8.654 10.778 -13.239 1.00 0.00 C ATOM 385 NZ LYS A 24 -9.768 9.997 -13.853 1.00 0.00 N ATOM 0 H LYS A 24 -10.620 9.071 -8.276 1.00 0.00 H new ATOM 0 HA LYS A 24 -12.066 10.959 -10.005 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.152 8.660 -10.561 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.992 9.542 -11.821 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.889 11.649 -11.083 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.052 10.770 -9.820 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.422 10.805 -11.475 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.178 9.256 -11.793 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.913 11.837 -13.240 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.758 10.669 -13.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.608 9.911 -14.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.803 9.049 -13.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.670 10.487 -13.684 1.00 0.00 H new ATOM 399 N ALA A 25 -12.952 7.919 -9.279 1.00 0.00 N ATOM 400 CA ALA A 25 -13.990 6.899 -9.407 1.00 0.00 C ATOM 401 C ALA A 25 -14.539 6.441 -8.054 1.00 0.00 C ATOM 402 O ALA A 25 -15.690 6.000 -7.977 1.00 0.00 O ATOM 403 CB ALA A 25 -13.429 5.710 -10.167 1.00 0.00 C ATOM 0 H ALA A 25 -12.289 7.744 -8.524 1.00 0.00 H new ATOM 0 HA ALA A 25 -14.823 7.343 -9.952 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.199 4.945 -10.266 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.107 6.031 -11.158 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.578 5.300 -9.624 1.00 0.00 H new ATOM 409 N GLY A 26 -13.719 6.534 -6.993 1.00 0.00 N ATOM 410 CA GLY A 26 -14.159 6.106 -5.669 1.00 0.00 C ATOM 411 C GLY A 26 -13.666 4.711 -5.301 1.00 0.00 C ATOM 412 O GLY A 26 -14.090 4.147 -4.288 1.00 0.00 O ATOM 0 H GLY A 26 -12.766 6.896 -7.031 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.803 6.819 -4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.248 6.123 -5.631 1.00 0.00 H new ATOM 416 N LEU A 27 -12.776 4.162 -6.133 1.00 0.00 N ATOM 417 CA LEU A 27 -12.221 2.825 -5.911 1.00 0.00 C ATOM 418 C LEU A 27 -10.864 2.895 -5.203 1.00 0.00 C ATOM 419 O LEU A 27 -10.119 3.868 -5.366 1.00 0.00 O ATOM 420 CB LEU A 27 -12.134 2.031 -7.254 1.00 0.00 C ATOM 421 CG LEU A 27 -11.063 2.421 -8.326 1.00 0.00 C ATOM 422 CD1 LEU A 27 -10.951 3.926 -8.546 1.00 0.00 C ATOM 423 CD2 LEU A 27 -9.700 1.822 -7.992 1.00 0.00 C ATOM 0 H LEU A 27 -12.424 4.626 -6.970 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.898 2.283 -5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.973 0.983 -7.001 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.111 2.097 -7.733 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.412 1.994 -9.266 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.191 4.128 -9.301 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.911 4.317 -8.884 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.671 4.411 -7.611 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.978 2.112 -8.756 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.369 2.191 -7.021 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.778 0.735 -7.960 1.00 0.00 H new ATOM 435 N CYS A 28 -10.552 1.841 -4.438 1.00 0.00 N ATOM 436 CA CYS A 28 -9.282 1.741 -3.717 1.00 0.00 C ATOM 437 C CYS A 28 -8.271 0.976 -4.574 1.00 0.00 C ATOM 438 O CYS A 28 -8.430 -0.224 -4.824 1.00 0.00 O ATOM 439 CB CYS A 28 -9.494 1.066 -2.353 1.00 0.00 C ATOM 440 SG CYS A 28 -10.484 2.060 -1.193 1.00 0.00 S ATOM 0 H CYS A 28 -11.170 1.040 -4.304 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.887 2.739 -3.528 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -9.985 0.105 -2.505 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -8.522 0.860 -1.904 1.00 0.00 H new ATOM 445 N GLN A 29 -7.262 1.706 -5.062 1.00 0.00 N ATOM 446 CA GLN A 29 -6.234 1.144 -5.945 1.00 0.00 C ATOM 447 C GLN A 29 -5.062 0.544 -5.156 1.00 0.00 C ATOM 448 O GLN A 29 -4.845 0.880 -3.987 1.00 0.00 O ATOM 449 CB GLN A 29 -5.741 2.238 -6.906 1.00 0.00 C ATOM 450 CG GLN A 29 -5.106 1.716 -8.189 1.00 0.00 C ATOM 451 CD GLN A 29 -4.554 2.827 -9.064 1.00 0.00 C ATOM 452 OE1 GLN A 29 -3.650 3.562 -8.663 1.00 0.00 O ATOM 453 NE2 GLN A 29 -5.097 2.956 -10.270 1.00 0.00 N ATOM 0 H GLN A 29 -7.135 2.697 -4.858 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.679 0.328 -6.514 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.582 2.880 -7.168 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.015 2.861 -6.384 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.302 1.025 -7.936 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.848 1.150 -8.752 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.844 2.326 -10.563 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.767 3.685 -10.903 1.00 0.00 H new ATOM 462 N THR A 30 -4.323 -0.350 -5.829 1.00 0.00 N ATOM 463 CA THR A 30 -3.165 -1.032 -5.240 1.00 0.00 C ATOM 464 C THR A 30 -1.857 -0.329 -5.605 1.00 0.00 C ATOM 465 O THR A 30 -1.590 -0.066 -6.781 1.00 0.00 O ATOM 466 CB THR A 30 -3.111 -2.498 -5.697 1.00 0.00 C ATOM 467 OG1 THR A 30 -3.178 -2.590 -7.109 1.00 0.00 O ATOM 468 CG2 THR A 30 -4.221 -3.358 -5.125 1.00 0.00 C ATOM 0 H THR A 30 -4.512 -0.619 -6.795 1.00 0.00 H new ATOM 0 HA THR A 30 -3.282 -0.998 -4.157 1.00 0.00 H new ATOM 0 HB THR A 30 -2.160 -2.874 -5.321 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.775 -1.791 -7.508 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.116 -4.379 -5.493 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.159 -3.356 -4.037 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.187 -2.958 -5.434 1.00 0.00 H new ATOM 476 N PHE A 31 -1.048 -0.037 -4.575 1.00 0.00 N ATOM 477 CA PHE A 31 0.250 0.632 -4.739 1.00 0.00 C ATOM 478 C PHE A 31 1.195 0.218 -3.593 1.00 0.00 C ATOM 479 O PHE A 31 0.733 -0.137 -2.516 1.00 0.00 O ATOM 480 CB PHE A 31 0.057 2.164 -4.787 1.00 0.00 C ATOM 481 CG PHE A 31 -0.022 2.832 -3.441 1.00 0.00 C ATOM 482 CD1 PHE A 31 -1.177 2.789 -2.673 1.00 0.00 C ATOM 483 CD2 PHE A 31 1.082 3.495 -2.949 1.00 0.00 C ATOM 484 CE1 PHE A 31 -1.218 3.401 -1.435 1.00 0.00 C ATOM 485 CE2 PHE A 31 1.051 4.105 -1.720 1.00 0.00 C ATOM 486 CZ PHE A 31 -0.100 4.060 -0.956 1.00 0.00 C ATOM 0 H PHE A 31 -1.276 -0.258 -3.606 1.00 0.00 H new ATOM 0 HA PHE A 31 0.703 0.325 -5.682 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.883 2.603 -5.347 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.856 2.384 -5.340 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.050 2.274 -3.046 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.985 3.535 -3.540 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.120 3.365 -0.843 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.925 4.620 -1.350 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.126 4.538 0.012 1.00 0.00 H new ATOM 496 N VAL A 32 2.505 0.238 -3.850 1.00 0.00 N ATOM 497 CA VAL A 32 3.532 -0.174 -2.875 1.00 0.00 C ATOM 498 C VAL A 32 3.802 0.926 -1.817 1.00 0.00 C ATOM 499 O VAL A 32 3.271 2.032 -1.902 1.00 0.00 O ATOM 500 CB VAL A 32 4.866 -0.553 -3.612 1.00 0.00 C ATOM 501 CG1 VAL A 32 5.772 -1.422 -2.740 1.00 0.00 C ATOM 502 CG2 VAL A 32 4.596 -1.266 -4.936 1.00 0.00 C ATOM 0 H VAL A 32 2.891 0.541 -4.744 1.00 0.00 H new ATOM 0 HA VAL A 32 3.149 -1.049 -2.351 1.00 0.00 H new ATOM 0 HB VAL A 32 5.379 0.387 -3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.683 -1.661 -3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.028 -0.881 -1.829 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.252 -2.344 -2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.543 -1.512 -5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.035 -2.182 -4.748 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.017 -0.613 -5.589 1.00 0.00 H new ATOM 512 N TYR A 33 4.638 0.580 -0.824 1.00 0.00 N ATOM 513 CA TYR A 33 5.013 1.480 0.271 1.00 0.00 C ATOM 514 C TYR A 33 6.357 1.061 0.867 1.00 0.00 C ATOM 515 O TYR A 33 6.623 -0.132 1.041 1.00 0.00 O ATOM 516 CB TYR A 33 3.918 1.483 1.362 1.00 0.00 C ATOM 517 CG TYR A 33 4.154 2.442 2.519 1.00 0.00 C ATOM 518 CD1 TYR A 33 4.266 3.818 2.320 1.00 0.00 C ATOM 519 CD2 TYR A 33 4.264 1.958 3.814 1.00 0.00 C ATOM 520 CE1 TYR A 33 4.479 4.676 3.380 1.00 0.00 C ATOM 521 CE2 TYR A 33 4.477 2.813 4.879 1.00 0.00 C ATOM 522 CZ TYR A 33 4.584 4.168 4.656 1.00 0.00 C ATOM 523 OH TYR A 33 4.795 5.018 5.715 1.00 0.00 O ATOM 0 H TYR A 33 5.074 -0.340 -0.761 1.00 0.00 H new ATOM 0 HA TYR A 33 5.110 2.490 -0.127 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.965 1.731 0.895 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.824 0.473 1.762 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.185 4.219 1.320 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.182 0.896 3.993 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.563 5.739 3.210 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.559 2.420 5.882 1.00 0.00 H new ATOM 0 HH TYR A 33 4.844 4.500 6.545 1.00 0.00 H new ATOM 533 N GLY A 34 7.190 2.060 1.182 1.00 0.00 N ATOM 534 CA GLY A 34 8.498 1.804 1.764 1.00 0.00 C ATOM 535 C GLY A 34 8.521 2.064 3.256 1.00 0.00 C ATOM 536 O GLY A 34 8.885 1.180 4.039 1.00 0.00 O ATOM 0 H GLY A 34 6.976 3.047 1.041 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.783 0.769 1.573 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.241 2.435 1.276 1.00 0.00 H new ATOM 540 N GLY A 35 8.122 3.279 3.644 1.00 0.00 N ATOM 541 CA GLY A 35 8.089 3.657 5.051 1.00 0.00 C ATOM 542 C GLY A 35 9.308 4.454 5.489 1.00 0.00 C ATOM 543 O GLY A 35 9.681 4.416 6.666 1.00 0.00 O ATOM 0 H GLY A 35 7.819 4.012 3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.191 4.246 5.241 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.014 2.756 5.660 1.00 0.00 H new ATOM 547 N CYS A 36 9.924 5.176 4.544 1.00 0.00 N ATOM 548 CA CYS A 36 11.108 5.990 4.829 1.00 0.00 C ATOM 549 C CYS A 36 10.734 7.451 5.103 1.00 0.00 C ATOM 550 O CYS A 36 11.265 8.064 6.034 1.00 0.00 O ATOM 551 CB CYS A 36 12.106 5.903 3.672 1.00 0.00 C ATOM 552 SG CYS A 36 11.409 6.350 2.049 1.00 0.00 S ATOM 0 H CYS A 36 9.618 5.211 3.571 1.00 0.00 H new ATOM 0 HA CYS A 36 11.575 5.592 5.730 1.00 0.00 H new ATOM 0 HB2 CYS A 36 12.950 6.559 3.885 1.00 0.00 H new ATOM 0 HB3 CYS A 36 12.497 4.887 3.620 1.00 0.00 H new ATOM 557 N ARG A 37 9.818 7.995 4.290 1.00 0.00 N ATOM 558 CA ARG A 37 9.366 9.385 4.441 1.00 0.00 C ATOM 559 C ARG A 37 7.872 9.460 4.801 1.00 0.00 C ATOM 560 O ARG A 37 7.296 10.550 4.825 1.00 0.00 O ATOM 561 CB ARG A 37 9.648 10.184 3.159 1.00 0.00 C ATOM 562 CG ARG A 37 11.130 10.449 2.910 1.00 0.00 C ATOM 563 CD ARG A 37 11.356 11.330 1.681 1.00 0.00 C ATOM 564 NE ARG A 37 10.983 10.674 0.412 1.00 0.00 N ATOM 565 CZ ARG A 37 11.662 9.668 -0.171 1.00 0.00 C ATOM 566 NH1 ARG A 37 12.767 9.172 0.382 1.00 0.00 N ATOM 567 NH2 ARG A 37 11.226 9.161 -1.315 1.00 0.00 N ATOM 0 H ARG A 37 9.375 7.493 3.520 1.00 0.00 H new ATOM 0 HA ARG A 37 9.928 9.827 5.264 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.238 9.642 2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.122 11.137 3.214 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.564 10.931 3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.650 9.501 2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.779 12.248 1.790 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.406 11.618 1.638 1.00 0.00 H new ATOM 0 HE ARG A 37 10.144 11.010 -0.061 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.113 9.554 1.262 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.268 8.410 -0.075 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.381 9.533 -1.748 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.735 8.399 -1.762 1.00 0.00 H new ATOM 581 N ALA A 38 7.279 8.281 5.100 1.00 0.00 N ATOM 582 CA ALA A 38 5.854 8.095 5.497 1.00 0.00 C ATOM 583 C ALA A 38 4.937 9.313 5.285 1.00 0.00 C ATOM 584 O ALA A 38 5.134 10.371 5.893 1.00 0.00 O ATOM 585 CB ALA A 38 5.792 7.652 6.952 1.00 0.00 C ATOM 0 H ALA A 38 7.792 7.400 5.072 1.00 0.00 H new ATOM 0 HA ALA A 38 5.464 7.332 4.823 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.752 7.515 7.247 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.329 6.711 7.069 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.251 8.413 7.584 1.00 0.00 H new ATOM 591 N LYS A 39 3.922 9.133 4.431 1.00 0.00 N ATOM 592 CA LYS A 39 2.952 10.188 4.135 1.00 0.00 C ATOM 593 C LYS A 39 1.733 10.058 5.082 1.00 0.00 C ATOM 594 O LYS A 39 1.916 10.048 6.303 1.00 0.00 O ATOM 595 CB LYS A 39 2.568 10.121 2.637 1.00 0.00 C ATOM 596 CG LYS A 39 2.289 11.478 1.985 1.00 0.00 C ATOM 597 CD LYS A 39 0.905 12.029 2.323 1.00 0.00 C ATOM 598 CE LYS A 39 0.655 13.384 1.672 1.00 0.00 C ATOM 599 NZ LYS A 39 0.560 13.290 0.185 1.00 0.00 N ATOM 0 H LYS A 39 3.753 8.260 3.931 1.00 0.00 H new ATOM 0 HA LYS A 39 3.384 11.173 4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.374 9.630 2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.683 9.494 2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.047 12.192 2.307 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.381 11.381 0.903 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.143 11.322 1.993 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.806 12.123 3.404 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.268 13.809 2.067 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.461 14.067 1.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.289 14.215 -0.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.482 13.006 -0.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.157 12.583 -0.073 1.00 0.00 H new ATOM 613 N ARG A 40 0.508 9.957 4.536 1.00 0.00 N ATOM 614 CA ARG A 40 -0.709 9.826 5.351 1.00 0.00 C ATOM 615 C ARG A 40 -1.696 8.839 4.728 1.00 0.00 C ATOM 616 O ARG A 40 -2.410 8.134 5.447 1.00 0.00 O ATOM 617 CB ARG A 40 -1.399 11.184 5.529 1.00 0.00 C ATOM 618 CG ARG A 40 -0.620 12.173 6.390 1.00 0.00 C ATOM 619 CD ARG A 40 -1.373 13.485 6.575 1.00 0.00 C ATOM 620 NE ARG A 40 -1.471 14.258 5.328 1.00 0.00 N ATOM 621 CZ ARG A 40 -2.079 15.447 5.213 1.00 0.00 C ATOM 622 NH1 ARG A 40 -2.656 16.031 6.261 1.00 0.00 N ATOM 623 NH2 ARG A 40 -2.106 16.057 4.036 1.00 0.00 N ATOM 0 H ARG A 40 0.336 9.964 3.531 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.400 9.447 6.325 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.564 11.626 4.547 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.380 11.025 5.976 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.422 11.728 7.365 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.347 12.372 5.929 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.375 13.275 6.949 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.869 14.086 7.333 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.046 13.861 4.490 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.640 15.573 7.172 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.114 16.936 6.153 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.666 15.621 3.226 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.567 16.962 3.941 1.00 0.00 H new ATOM 637 N ASN A 41 -1.742 8.811 3.388 1.00 0.00 N ATOM 638 CA ASN A 41 -2.653 7.931 2.650 1.00 0.00 C ATOM 639 C ASN A 41 -2.071 6.518 2.483 1.00 0.00 C ATOM 640 O ASN A 41 -1.304 6.251 1.550 1.00 0.00 O ATOM 641 CB ASN A 41 -2.991 8.559 1.275 1.00 0.00 C ATOM 642 CG ASN A 41 -4.010 7.776 0.430 1.00 0.00 C ATOM 643 OD1 ASN A 41 -4.392 8.225 -0.650 1.00 0.00 O ATOM 644 ND2 ASN A 41 -4.437 6.598 0.896 1.00 0.00 N ATOM 0 H ASN A 41 -1.153 9.393 2.792 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.571 7.829 3.229 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.376 9.566 1.438 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -2.069 8.659 0.703 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.098 6.044 0.352 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.101 6.253 1.795 1.00 0.00 H new ATOM 651 N ASN A 42 -2.487 5.616 3.380 1.00 0.00 N ATOM 652 CA ASN A 42 -2.070 4.211 3.341 1.00 0.00 C ATOM 653 C ASN A 42 -3.091 3.314 4.020 1.00 0.00 C ATOM 654 O ASN A 42 -3.364 3.455 5.219 1.00 0.00 O ATOM 655 CB ASN A 42 -0.721 3.964 4.003 1.00 0.00 C ATOM 656 CG ASN A 42 0.456 4.495 3.208 1.00 0.00 C ATOM 657 OD1 ASN A 42 0.684 5.703 3.140 1.00 0.00 O ATOM 658 ND2 ASN A 42 1.205 3.591 2.592 1.00 0.00 N ATOM 0 H ASN A 42 -3.119 5.839 4.149 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.988 3.971 2.281 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.720 4.428 4.989 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.592 2.892 4.154 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.006 3.887 2.035 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.980 2.600 2.675 1.00 0.00 H new ATOM 665 N PHE A 43 -3.653 2.396 3.240 1.00 0.00 N ATOM 666 CA PHE A 43 -4.654 1.456 3.734 1.00 0.00 C ATOM 667 C PHE A 43 -4.400 0.052 3.178 1.00 0.00 C ATOM 668 O PHE A 43 -4.652 -0.208 2.002 1.00 0.00 O ATOM 669 CB PHE A 43 -6.049 1.931 3.326 1.00 0.00 C ATOM 670 CG PHE A 43 -6.646 3.004 4.203 1.00 0.00 C ATOM 671 CD1 PHE A 43 -6.202 4.318 4.137 1.00 0.00 C ATOM 672 CD2 PHE A 43 -7.664 2.692 5.089 1.00 0.00 C ATOM 673 CE1 PHE A 43 -6.762 5.295 4.940 1.00 0.00 C ATOM 674 CE2 PHE A 43 -8.227 3.664 5.892 1.00 0.00 C ATOM 675 CZ PHE A 43 -7.775 4.967 5.817 1.00 0.00 C ATOM 0 H PHE A 43 -3.429 2.283 2.251 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.586 1.413 4.821 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -6.003 2.305 2.303 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.721 1.072 3.322 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.410 4.580 3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.022 1.675 5.153 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.407 6.313 4.880 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.020 3.406 6.578 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.214 5.728 6.444 1.00 0.00 H new ATOM 685 N LYS A 44 -3.887 -0.851 4.026 1.00 0.00 N ATOM 686 CA LYS A 44 -3.587 -2.233 3.612 1.00 0.00 C ATOM 687 C LYS A 44 -4.868 -3.096 3.502 1.00 0.00 C ATOM 688 O LYS A 44 -4.793 -4.292 3.200 1.00 0.00 O ATOM 689 CB LYS A 44 -2.589 -2.859 4.615 1.00 0.00 C ATOM 690 CG LYS A 44 -1.898 -4.145 4.140 1.00 0.00 C ATOM 691 CD LYS A 44 -0.825 -3.875 3.087 1.00 0.00 C ATOM 692 CE LYS A 44 -0.149 -5.159 2.620 1.00 0.00 C ATOM 693 NZ LYS A 44 0.673 -5.790 3.694 1.00 0.00 N ATOM 0 H LYS A 44 -3.671 -0.651 5.003 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.140 -2.205 2.618 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.823 -2.120 4.848 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.119 -3.073 5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.446 -4.648 4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.644 -4.824 3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.275 -3.370 2.232 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.075 -3.199 3.498 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.908 -5.865 2.285 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.485 -4.941 1.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.206 -6.591 3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.337 -5.089 4.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.050 -6.131 4.454 1.00 0.00 H new ATOM 707 N SER A 45 -6.034 -2.474 3.739 1.00 0.00 N ATOM 708 CA SER A 45 -7.320 -3.169 3.664 1.00 0.00 C ATOM 709 C SER A 45 -8.357 -2.333 2.920 1.00 0.00 C ATOM 710 O SER A 45 -8.531 -1.141 3.207 1.00 0.00 O ATOM 711 CB SER A 45 -7.833 -3.499 5.069 1.00 0.00 C ATOM 712 OG SER A 45 -6.921 -4.335 5.762 1.00 0.00 O ATOM 0 H SER A 45 -6.108 -1.487 3.985 1.00 0.00 H new ATOM 0 HA SER A 45 -7.164 -4.096 3.112 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.984 -2.577 5.630 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.802 -3.992 4.999 1.00 0.00 H new ATOM 0 HG SER A 45 -7.271 -4.530 6.657 1.00 0.00 H new ATOM 718 N ALA A 46 -9.056 -2.977 1.969 1.00 0.00 N ATOM 719 CA ALA A 46 -10.099 -2.319 1.167 1.00 0.00 C ATOM 720 C ALA A 46 -11.270 -1.859 2.042 1.00 0.00 C ATOM 721 O ALA A 46 -11.752 -0.732 1.896 1.00 0.00 O ATOM 722 CB ALA A 46 -10.587 -3.255 0.068 1.00 0.00 C ATOM 0 H ALA A 46 -8.915 -3.960 1.737 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.662 -1.433 0.707 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.359 -2.756 -0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.753 -3.520 -0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.999 -4.159 0.516 1.00 0.00 H new ATOM 728 N GLU A 47 -11.718 -2.755 2.949 1.00 0.00 N ATOM 729 CA GLU A 47 -12.838 -2.486 3.874 1.00 0.00 C ATOM 730 C GLU A 47 -12.675 -1.129 4.577 1.00 0.00 C ATOM 731 O GLU A 47 -13.565 -0.275 4.495 1.00 0.00 O ATOM 732 CB GLU A 47 -12.968 -3.612 4.914 1.00 0.00 C ATOM 733 CG GLU A 47 -13.396 -4.955 4.327 1.00 0.00 C ATOM 734 CD GLU A 47 -13.523 -6.068 5.362 1.00 0.00 C ATOM 735 OE1 GLU A 47 -13.278 -5.817 6.564 1.00 0.00 O ATOM 736 OE2 GLU A 47 -13.870 -7.201 4.965 1.00 0.00 O ATOM 0 H GLU A 47 -11.313 -3.684 3.059 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.751 -2.450 3.280 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.011 -3.737 5.420 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.692 -3.311 5.671 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.354 -4.831 3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.672 -5.257 3.570 1.00 0.00 H new ATOM 743 N ASP A 48 -11.524 -0.929 5.248 1.00 0.00 N ATOM 744 CA ASP A 48 -11.226 0.332 5.947 1.00 0.00 C ATOM 745 C ASP A 48 -11.075 1.485 4.947 1.00 0.00 C ATOM 746 O ASP A 48 -11.626 2.570 5.164 1.00 0.00 O ATOM 747 CB ASP A 48 -9.953 0.197 6.794 1.00 0.00 C ATOM 748 CG ASP A 48 -10.110 -0.788 7.941 1.00 0.00 C ATOM 749 OD1 ASP A 48 -10.976 -0.556 8.811 1.00 0.00 O ATOM 750 OD2 ASP A 48 -9.365 -1.790 7.967 1.00 0.00 O ATOM 0 H ASP A 48 -10.785 -1.628 5.319 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.062 0.554 6.610 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.130 -0.124 6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.683 1.174 7.195 1.00 0.00 H new ATOM 755 N CYS A 49 -10.318 1.230 3.854 1.00 0.00 N ATOM 756 CA CYS A 49 -10.073 2.231 2.793 1.00 0.00 C ATOM 757 C CYS A 49 -11.379 2.925 2.363 1.00 0.00 C ATOM 758 O CYS A 49 -11.447 4.155 2.322 1.00 0.00 O ATOM 759 CB CYS A 49 -9.381 1.578 1.581 1.00 0.00 C ATOM 760 SG CYS A 49 -9.119 2.700 0.168 1.00 0.00 S ATOM 0 H CYS A 49 -9.864 0.332 3.685 1.00 0.00 H new ATOM 0 HA CYS A 49 -9.410 2.994 3.202 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.416 1.182 1.899 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -9.980 0.730 1.250 1.00 0.00 H new ATOM 765 N MET A 50 -12.410 2.126 2.058 1.00 0.00 N ATOM 766 CA MET A 50 -13.712 2.643 1.646 1.00 0.00 C ATOM 767 C MET A 50 -14.529 3.161 2.840 1.00 0.00 C ATOM 768 O MET A 50 -15.253 4.152 2.717 1.00 0.00 O ATOM 769 CB MET A 50 -14.487 1.541 0.925 1.00 0.00 C ATOM 770 CG MET A 50 -13.974 1.238 -0.480 1.00 0.00 C ATOM 771 SD MET A 50 -14.907 -0.067 -1.314 1.00 0.00 S ATOM 772 CE MET A 50 -16.449 0.768 -1.697 1.00 0.00 C ATOM 0 H MET A 50 -12.361 1.108 2.091 1.00 0.00 H new ATOM 0 HA MET A 50 -13.544 3.486 0.975 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.442 0.630 1.521 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.536 1.830 0.863 1.00 0.00 H new ATOM 0 HG2 MET A 50 -14.018 2.147 -1.080 1.00 0.00 H new ATOM 0 HG3 MET A 50 -12.926 0.945 -0.422 1.00 0.00 H new ATOM 0 HE1 MET A 50 -17.068 0.122 -2.320 1.00 0.00 H new ATOM 0 HE2 MET A 50 -16.979 0.996 -0.772 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.238 1.694 -2.232 1.00 0.00 H new ATOM 782 N ARG A 51 -14.401 2.487 3.996 1.00 0.00 N ATOM 783 CA ARG A 51 -15.127 2.869 5.221 1.00 0.00 C ATOM 784 C ARG A 51 -14.737 4.277 5.718 1.00 0.00 C ATOM 785 O ARG A 51 -15.548 4.953 6.356 1.00 0.00 O ATOM 786 CB ARG A 51 -14.867 1.823 6.319 1.00 0.00 C ATOM 787 CG ARG A 51 -15.871 1.849 7.468 1.00 0.00 C ATOM 788 CD ARG A 51 -15.549 0.793 8.513 1.00 0.00 C ATOM 789 NE ARG A 51 -16.505 0.812 9.626 1.00 0.00 N ATOM 790 CZ ARG A 51 -16.460 -0.010 10.685 1.00 0.00 C ATOM 791 NH1 ARG A 51 -15.507 -0.933 10.802 1.00 0.00 N ATOM 792 NH2 ARG A 51 -17.379 0.096 11.635 1.00 0.00 N ATOM 0 H ARG A 51 -13.799 1.671 4.108 1.00 0.00 H new ATOM 0 HA ARG A 51 -16.190 2.900 4.983 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -14.876 0.831 5.868 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -13.867 1.980 6.723 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.868 2.835 7.933 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -16.875 1.683 7.079 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -15.555 -0.192 8.047 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.542 0.958 8.897 1.00 0.00 H new ATOM 0 HE ARG A 51 -17.258 1.500 9.592 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.794 -1.024 10.078 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -15.490 -1.549 11.615 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -18.114 0.799 11.558 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -17.351 -0.526 12.443 1.00 0.00 H new ATOM 806 N THR A 52 -13.498 4.698 5.428 1.00 0.00 N ATOM 807 CA THR A 52 -13.009 6.010 5.852 1.00 0.00 C ATOM 808 C THR A 52 -12.985 6.996 4.671 1.00 0.00 C ATOM 809 O THR A 52 -13.508 8.109 4.784 1.00 0.00 O ATOM 810 CB THR A 52 -11.606 5.875 6.485 1.00 0.00 C ATOM 811 OG1 THR A 52 -11.581 4.801 7.412 1.00 0.00 O ATOM 812 CG2 THR A 52 -11.140 7.113 7.236 1.00 0.00 C ATOM 0 H THR A 52 -12.820 4.147 4.902 1.00 0.00 H new ATOM 0 HA THR A 52 -13.692 6.408 6.603 1.00 0.00 H new ATOM 0 HB THR A 52 -10.937 5.710 5.640 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.575 3.950 6.926 1.00 0.00 H new ATOM 0 HG21 THR A 52 -10.147 6.936 7.649 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.102 7.961 6.552 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.836 7.331 8.046 1.00 0.00 H new ATOM 820 N CYS A 53 -12.349 6.593 3.563 1.00 0.00 N ATOM 821 CA CYS A 53 -12.222 7.446 2.385 1.00 0.00 C ATOM 822 C CYS A 53 -13.245 7.125 1.283 1.00 0.00 C ATOM 823 O CYS A 53 -13.052 7.530 0.136 1.00 0.00 O ATOM 824 CB CYS A 53 -10.797 7.337 1.819 1.00 0.00 C ATOM 825 SG CYS A 53 -9.663 6.237 2.735 1.00 0.00 S ATOM 0 H CYS A 53 -11.914 5.676 3.463 1.00 0.00 H new ATOM 0 HA CYS A 53 -12.428 8.465 2.713 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.861 6.986 0.789 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.360 8.335 1.789 1.00 0.00 H new ATOM 830 N GLY A 54 -14.349 6.443 1.624 1.00 0.00 N ATOM 831 CA GLY A 54 -15.369 6.134 0.630 1.00 0.00 C ATOM 832 C GLY A 54 -16.774 6.231 1.193 1.00 0.00 C ATOM 833 O GLY A 54 -17.409 5.207 1.463 1.00 0.00 O ATOM 0 H GLY A 54 -14.550 6.103 2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -15.270 6.818 -0.213 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.204 5.128 0.245 1.00 0.00 H new