USER MOD reduce.3.24.130724 H: found=0, std=0, add=370, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 368 hydrogens (4 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: B 1 PCA H1 : B 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: B 1 PCA H3 : B 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: B 33 HIS : no HD1:sc= -0.631 X(o=0.3,f=-0.18) USER MOD Set 1.2: B 35 SER OG : rot -9:sc= 0.932 USER MOD Set 2.1: B 10 THR OG1 : rot -78:sc= 1.97 USER MOD Set 2.2: B 24 GLN : amide:sc= -0.31 K(o=1.7,f=1.2) USER MOD Single : B 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ -171:sc= -0.0188 (180deg=-0.154) USER MOD Single : B 8 SER OG : rot -88:sc= 0.963 USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 18 ASN : amide:sc= -0.432 K(o=-0.43,f=-3.1) USER MOD Single : B 23 ASN : amide:sc= -0.218 K(o=-0.22,f=-1.6!) USER MOD Single : B 30 LYS NZ :NH3+ 168:sc=-0.00465 (180deg=-0.196) USER MOD Single : B 37 ASN : amide:sc= -3.36! K(o=-3.4!,f=-0.92) USER MOD Single : B 38 TYR OH : rot -154:sc= 0.0869 USER MOD Single : B 43 HIS : no HE2:sc= 1.05 K(o=1,f=-4.9!) USER MOD Single : B 44 LYS NZ :NH3+ 167:sc= -0.0335 (180deg=-0.264) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N PCA B 1 6.981 -18.202 -2.079 1.00 0.00 N HETATM 2 CA PCA B 1 7.272 -17.115 -1.127 1.00 0.00 C HETATM 3 CB PCA B 1 8.716 -17.260 -0.635 1.00 0.00 C HETATM 4 CG PCA B 1 9.257 -18.421 -1.407 1.00 0.00 C HETATM 5 CD PCA B 1 8.075 -18.918 -2.214 1.00 0.00 C HETATM 6 OE PCA B 1 8.237 -19.716 -3.139 1.00 0.00 O HETATM 7 C PCA B 1 7.079 -15.751 -1.778 1.00 0.00 C HETATM 8 O PCA B 1 8.040 -15.120 -2.225 1.00 0.00 O HETATM 0 H2 PCA B 1 7.120 -19.120 -1.611 1.00 0.00 H new HETATM 0 HA PCA B 1 6.581 -17.186 -0.287 1.00 0.00 H new HETATM 0 HB2 PCA B 1 9.293 -16.354 -0.823 1.00 0.00 H new HETATM 0 HB3 PCA B 1 8.753 -17.445 0.439 1.00 0.00 H new HETATM 0 HG2 PCA B 1 10.081 -18.119 -2.053 1.00 0.00 H new HETATM 0 HG3 PCA B 1 9.640 -19.196 -0.743 1.00 0.00 H new ATOM 13 N ARG B 2 5.839 -15.295 -1.832 1.00 0.00 N ATOM 14 CA ARG B 2 5.540 -13.992 -2.395 1.00 0.00 C ATOM 15 C ARG B 2 5.355 -12.968 -1.289 1.00 0.00 C ATOM 16 O ARG B 2 5.782 -13.179 -0.153 1.00 0.00 O ATOM 17 CB ARG B 2 4.295 -14.048 -3.286 1.00 0.00 C ATOM 18 CG ARG B 2 3.013 -14.405 -2.552 1.00 0.00 C ATOM 19 CD ARG B 2 1.799 -14.149 -3.427 1.00 0.00 C ATOM 20 NE ARG B 2 1.854 -14.903 -4.679 1.00 0.00 N ATOM 21 CZ ARG B 2 1.145 -14.598 -5.765 1.00 0.00 C ATOM 22 NH1 ARG B 2 0.319 -13.558 -5.756 1.00 0.00 N ATOM 23 NH2 ARG B 2 1.265 -15.335 -6.861 1.00 0.00 N ATOM 0 H ARG B 2 5.025 -15.808 -1.493 1.00 0.00 H new ATOM 0 HA ARG B 2 6.384 -13.690 -3.015 1.00 0.00 H new ATOM 0 HB2 ARG B 2 4.165 -13.080 -3.769 1.00 0.00 H new ATOM 0 HB3 ARG B 2 4.462 -14.779 -4.077 1.00 0.00 H new ATOM 0 HG2 ARG B 2 3.038 -15.454 -2.256 1.00 0.00 H new ATOM 0 HG3 ARG B 2 2.937 -13.817 -1.637 1.00 0.00 H new ATOM 0 HD2 ARG B 2 0.895 -14.420 -2.881 1.00 0.00 H new ATOM 0 HD3 ARG B 2 1.730 -13.084 -3.649 1.00 0.00 H new ATOM 0 HE ARG B 2 2.473 -15.712 -4.723 1.00 0.00 H new ATOM 0 HH11 ARG B 2 0.225 -12.988 -4.915 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -0.222 -13.329 -6.590 1.00 0.00 H new ATOM 0 HH21 ARG B 2 1.899 -16.134 -6.872 1.00 0.00 H new ATOM 0 HH22 ARG B 2 0.723 -15.103 -7.693 1.00 0.00 H new ATOM 37 N LEU B 3 4.751 -11.854 -1.640 1.00 0.00 N ATOM 38 CA LEU B 3 4.499 -10.770 -0.703 1.00 0.00 C ATOM 39 C LEU B 3 3.398 -11.125 0.297 1.00 0.00 C ATOM 40 O LEU B 3 2.653 -12.088 0.108 1.00 0.00 O ATOM 41 CB LEU B 3 4.090 -9.526 -1.482 1.00 0.00 C ATOM 42 CG LEU B 3 5.158 -8.970 -2.428 1.00 0.00 C ATOM 43 CD1 LEU B 3 4.527 -8.061 -3.468 1.00 0.00 C ATOM 44 CD2 LEU B 3 6.223 -8.217 -1.647 1.00 0.00 C ATOM 0 H LEU B 3 4.418 -11.669 -2.586 1.00 0.00 H new ATOM 0 HA LEU B 3 5.415 -10.589 -0.140 1.00 0.00 H new ATOM 0 HB2 LEU B 3 3.197 -9.758 -2.063 1.00 0.00 H new ATOM 0 HB3 LEU B 3 3.815 -8.746 -0.772 1.00 0.00 H new ATOM 0 HG LEU B 3 5.631 -9.808 -2.940 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.301 -7.675 -4.132 1.00 0.00 H new ATOM 0 HD12 LEU B 3 3.798 -8.625 -4.050 1.00 0.00 H new ATOM 0 HD13 LEU B 3 4.028 -7.229 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU B 3 6.973 -7.829 -2.336 1.00 0.00 H new ATOM 0 HD22 LEU B 3 5.762 -7.389 -1.109 1.00 0.00 H new ATOM 0 HD23 LEU B 3 6.698 -8.892 -0.936 1.00 0.00 H new ATOM 56 N CYS B 4 3.323 -10.344 1.364 1.00 0.00 N ATOM 57 CA CYS B 4 2.244 -10.447 2.336 1.00 0.00 C ATOM 58 C CYS B 4 1.509 -9.118 2.403 1.00 0.00 C ATOM 59 O CYS B 4 2.127 -8.068 2.599 1.00 0.00 O ATOM 60 CB CYS B 4 2.782 -10.819 3.723 1.00 0.00 C ATOM 61 SG CYS B 4 3.211 -12.580 3.922 1.00 0.00 S ATOM 0 H CYS B 4 4.009 -9.621 1.581 1.00 0.00 H new ATOM 0 HA CYS B 4 1.561 -11.236 2.021 1.00 0.00 H new ATOM 0 HB2 CYS B 4 3.667 -10.217 3.928 1.00 0.00 H new ATOM 0 HB3 CYS B 4 2.035 -10.553 4.471 1.00 0.00 H new ATOM 66 N GLU B 5 0.202 -9.155 2.214 1.00 0.00 N ATOM 67 CA GLU B 5 -0.585 -7.938 2.167 1.00 0.00 C ATOM 68 C GLU B 5 -0.817 -7.369 3.562 1.00 0.00 C ATOM 69 O GLU B 5 -1.071 -8.102 4.521 1.00 0.00 O ATOM 70 CB GLU B 5 -1.928 -8.165 1.481 1.00 0.00 C ATOM 71 CG GLU B 5 -1.864 -9.001 0.217 1.00 0.00 C ATOM 72 CD GLU B 5 -2.012 -10.486 0.483 1.00 0.00 C ATOM 73 OE1 GLU B 5 -1.029 -11.124 0.916 1.00 0.00 O ATOM 74 OE2 GLU B 5 -3.114 -11.023 0.257 1.00 0.00 O ATOM 0 H GLU B 5 -0.335 -10.013 2.091 1.00 0.00 H new ATOM 0 HA GLU B 5 -0.011 -7.218 1.584 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -2.603 -8.650 2.186 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -2.364 -7.196 1.237 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -2.651 -8.679 -0.465 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -0.913 -8.820 -0.284 1.00 0.00 H new ATOM 81 N LYS B 6 -0.718 -6.058 3.650 1.00 0.00 N ATOM 82 CA LYS B 6 -0.915 -5.318 4.883 1.00 0.00 C ATOM 83 C LYS B 6 -1.842 -4.138 4.617 1.00 0.00 C ATOM 84 O LYS B 6 -1.760 -3.513 3.562 1.00 0.00 O ATOM 85 CB LYS B 6 0.432 -4.809 5.403 1.00 0.00 C ATOM 86 CG LYS B 6 1.136 -5.751 6.373 1.00 0.00 C ATOM 87 CD LYS B 6 1.705 -6.977 5.679 1.00 0.00 C ATOM 88 CE LYS B 6 2.301 -7.959 6.676 1.00 0.00 C ATOM 89 NZ LYS B 6 3.403 -7.350 7.467 1.00 0.00 N ATOM 0 H LYS B 6 -0.494 -5.464 2.851 1.00 0.00 H new ATOM 0 HA LYS B 6 -1.361 -5.972 5.633 1.00 0.00 H new ATOM 0 HB2 LYS B 6 1.089 -4.627 4.553 1.00 0.00 H new ATOM 0 HB3 LYS B 6 0.277 -3.850 5.897 1.00 0.00 H new ATOM 0 HG2 LYS B 6 1.941 -5.215 6.876 1.00 0.00 H new ATOM 0 HG3 LYS B 6 0.433 -6.067 7.144 1.00 0.00 H new ATOM 0 HD2 LYS B 6 0.919 -7.470 5.108 1.00 0.00 H new ATOM 0 HD3 LYS B 6 2.471 -6.670 4.967 1.00 0.00 H new ATOM 0 HE2 LYS B 6 1.520 -8.309 7.351 1.00 0.00 H new ATOM 0 HE3 LYS B 6 2.677 -8.833 6.144 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 3.881 -8.088 8.022 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 4.087 -6.904 6.823 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 3.013 -6.631 8.110 1.00 0.00 H new ATOM 103 N PRO B 7 -2.743 -3.823 5.554 1.00 0.00 N ATOM 104 CA PRO B 7 -3.676 -2.706 5.391 1.00 0.00 C ATOM 105 C PRO B 7 -2.950 -1.367 5.326 1.00 0.00 C ATOM 106 O PRO B 7 -1.998 -1.128 6.074 1.00 0.00 O ATOM 107 CB PRO B 7 -4.557 -2.783 6.641 1.00 0.00 C ATOM 108 CG PRO B 7 -3.751 -3.544 7.636 1.00 0.00 C ATOM 109 CD PRO B 7 -2.926 -4.515 6.841 1.00 0.00 C ATOM 0 HA PRO B 7 -4.241 -2.775 4.461 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -4.804 -1.788 7.011 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -5.500 -3.287 6.429 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -3.116 -2.876 8.217 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -4.395 -4.066 8.343 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -1.972 -4.724 7.325 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -3.437 -5.470 6.716 1.00 0.00 H new ATOM 117 N SER B 8 -3.401 -0.504 4.422 1.00 0.00 N ATOM 118 CA SER B 8 -2.785 0.800 4.229 1.00 0.00 C ATOM 119 C SER B 8 -2.832 1.631 5.506 1.00 0.00 C ATOM 120 O SER B 8 -3.876 1.748 6.157 1.00 0.00 O ATOM 121 CB SER B 8 -3.478 1.542 3.084 1.00 0.00 C ATOM 122 OG SER B 8 -4.889 1.480 3.218 1.00 0.00 O ATOM 0 H SER B 8 -4.196 -0.687 3.809 1.00 0.00 H new ATOM 0 HA SER B 8 -1.737 0.645 3.972 1.00 0.00 H new ATOM 0 HB2 SER B 8 -3.156 2.583 3.073 1.00 0.00 H new ATOM 0 HB3 SER B 8 -3.180 1.106 2.130 1.00 0.00 H new ATOM 0 HG SER B 8 -5.224 0.672 2.776 1.00 0.00 H new ATOM 128 N GLY B 9 -1.695 2.204 5.860 1.00 0.00 N ATOM 129 CA GLY B 9 -1.614 3.030 7.040 1.00 0.00 C ATOM 130 C GLY B 9 -1.449 4.489 6.684 1.00 0.00 C ATOM 131 O GLY B 9 -1.080 5.308 7.527 1.00 0.00 O ATOM 0 H GLY B 9 -0.820 2.110 5.345 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -2.515 2.900 7.639 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.774 2.707 7.655 1.00 0.00 H new ATOM 135 N THR B 10 -1.704 4.813 5.424 1.00 0.00 N ATOM 136 CA THR B 10 -1.581 6.181 4.945 1.00 0.00 C ATOM 137 C THR B 10 -2.811 6.604 4.146 1.00 0.00 C ATOM 138 O THR B 10 -2.973 7.778 3.805 1.00 0.00 O ATOM 139 CB THR B 10 -0.334 6.339 4.055 1.00 0.00 C ATOM 140 OG1 THR B 10 -0.331 5.324 3.039 1.00 0.00 O ATOM 141 CG2 THR B 10 0.943 6.250 4.876 1.00 0.00 C ATOM 0 H THR B 10 -1.998 4.143 4.713 1.00 0.00 H new ATOM 0 HA THR B 10 -1.489 6.819 5.824 1.00 0.00 H new ATOM 0 HB THR B 10 -0.370 7.324 3.589 1.00 0.00 H new ATOM 0 HG1 THR B 10 -0.030 4.475 3.426 1.00 0.00 H new ATOM 0 HG21 THR B 10 1.806 6.365 4.220 1.00 0.00 H new ATOM 0 HG22 THR B 10 0.949 7.041 5.626 1.00 0.00 H new ATOM 0 HG23 THR B 10 0.990 5.280 5.371 1.00 0.00 H new ATOM 149 N TRP B 11 -3.678 5.646 3.849 1.00 0.00 N ATOM 150 CA TRP B 11 -4.826 5.903 2.996 1.00 0.00 C ATOM 151 C TRP B 11 -6.100 5.982 3.830 1.00 0.00 C ATOM 152 O TRP B 11 -6.090 5.744 5.038 1.00 0.00 O ATOM 153 CB TRP B 11 -4.949 4.795 1.935 1.00 0.00 C ATOM 154 CG TRP B 11 -5.791 5.153 0.735 1.00 0.00 C ATOM 155 CD1 TRP B 11 -7.151 5.064 0.624 1.00 0.00 C ATOM 156 CD2 TRP B 11 -5.321 5.625 -0.534 1.00 0.00 C ATOM 157 NE1 TRP B 11 -7.555 5.494 -0.612 1.00 0.00 N ATOM 158 CE2 TRP B 11 -6.452 5.831 -1.346 1.00 0.00 C ATOM 159 CE3 TRP B 11 -4.060 5.907 -1.060 1.00 0.00 C ATOM 160 CZ2 TRP B 11 -6.357 6.302 -2.651 1.00 0.00 C ATOM 161 CZ3 TRP B 11 -3.965 6.371 -2.358 1.00 0.00 C ATOM 162 CH2 TRP B 11 -5.109 6.566 -3.141 1.00 0.00 C ATOM 0 H TRP B 11 -3.607 4.686 4.186 1.00 0.00 H new ATOM 0 HA TRP B 11 -4.684 6.859 2.493 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -3.949 4.528 1.592 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -5.372 3.907 2.405 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -7.812 4.706 1.400 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -8.521 5.553 -0.933 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -3.172 5.765 -0.462 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -7.239 6.454 -3.256 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -2.992 6.587 -2.775 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -5.003 6.932 -4.152 1.00 0.00 H new ATOM 173 N SER B 12 -7.176 6.337 3.169 1.00 0.00 N ATOM 174 CA SER B 12 -8.499 6.355 3.762 1.00 0.00 C ATOM 175 C SER B 12 -9.167 4.997 3.574 1.00 0.00 C ATOM 176 O SER B 12 -8.487 3.978 3.443 1.00 0.00 O ATOM 177 CB SER B 12 -9.327 7.460 3.105 1.00 0.00 C ATOM 178 OG SER B 12 -8.671 8.715 3.207 1.00 0.00 O ATOM 0 H SER B 12 -7.161 6.626 2.191 1.00 0.00 H new ATOM 0 HA SER B 12 -8.424 6.555 4.831 1.00 0.00 H new ATOM 0 HB2 SER B 12 -9.496 7.218 2.056 1.00 0.00 H new ATOM 0 HB3 SER B 12 -10.306 7.517 3.581 1.00 0.00 H new ATOM 0 HG SER B 12 -9.218 9.406 2.779 1.00 0.00 H new ATOM 184 N GLY B 13 -10.489 4.988 3.601 1.00 0.00 N ATOM 185 CA GLY B 13 -11.244 3.775 3.338 1.00 0.00 C ATOM 186 C GLY B 13 -11.091 3.272 1.918 1.00 0.00 C ATOM 187 O GLY B 13 -10.007 2.866 1.494 1.00 0.00 O ATOM 0 H GLY B 13 -11.062 5.808 3.803 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -10.920 2.997 4.029 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -12.299 3.961 3.539 1.00 0.00 H new ATOM 191 N VAL B 14 -12.193 3.272 1.202 1.00 0.00 N ATOM 192 CA VAL B 14 -12.226 2.850 -0.186 1.00 0.00 C ATOM 193 C VAL B 14 -11.277 3.693 -1.049 1.00 0.00 C ATOM 194 O VAL B 14 -11.050 4.877 -0.777 1.00 0.00 O ATOM 195 CB VAL B 14 -13.665 2.943 -0.726 1.00 0.00 C ATOM 196 CG1 VAL B 14 -14.134 4.388 -0.755 1.00 0.00 C ATOM 197 CG2 VAL B 14 -13.776 2.305 -2.093 1.00 0.00 C ATOM 0 H VAL B 14 -13.099 3.566 1.566 1.00 0.00 H new ATOM 0 HA VAL B 14 -11.889 1.815 -0.236 1.00 0.00 H new ATOM 0 HB VAL B 14 -14.317 2.390 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL B 14 -15.153 4.432 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -14.109 4.799 0.254 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -13.477 4.971 -1.400 1.00 0.00 H new ATOM 0 HG21 VAL B 14 -14.803 2.385 -2.450 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -13.109 2.816 -2.788 1.00 0.00 H new ATOM 0 HG23 VAL B 14 -13.496 1.254 -2.028 1.00 0.00 H new ATOM 207 N CYS B 15 -10.713 3.075 -2.075 1.00 0.00 N ATOM 208 CA CYS B 15 -9.776 3.755 -2.957 1.00 0.00 C ATOM 209 C CYS B 15 -10.150 3.538 -4.422 1.00 0.00 C ATOM 210 O CYS B 15 -10.699 2.497 -4.795 1.00 0.00 O ATOM 211 CB CYS B 15 -8.356 3.260 -2.683 1.00 0.00 C ATOM 212 SG CYS B 15 -8.195 1.452 -2.622 1.00 0.00 S ATOM 0 H CYS B 15 -10.888 2.100 -2.318 1.00 0.00 H new ATOM 0 HA CYS B 15 -9.822 4.826 -2.758 1.00 0.00 H new ATOM 0 HB2 CYS B 15 -7.693 3.646 -3.457 1.00 0.00 H new ATOM 0 HB3 CYS B 15 -8.015 3.676 -1.735 1.00 0.00 H new ATOM 217 N GLY B 16 -9.857 4.545 -5.239 1.00 0.00 N ATOM 218 CA GLY B 16 -10.233 4.519 -6.639 1.00 0.00 C ATOM 219 C GLY B 16 -9.252 3.769 -7.505 1.00 0.00 C ATOM 220 O GLY B 16 -9.644 2.966 -8.347 1.00 0.00 O ATOM 0 H GLY B 16 -9.360 5.388 -4.951 1.00 0.00 H new ATOM 0 HA2 GLY B 16 -11.217 4.060 -6.736 1.00 0.00 H new ATOM 0 HA3 GLY B 16 -10.321 5.542 -7.004 1.00 0.00 H new ATOM 224 N ASN B 17 -7.975 4.033 -7.300 1.00 0.00 N ATOM 225 CA ASN B 17 -6.936 3.490 -8.160 1.00 0.00 C ATOM 226 C ASN B 17 -6.019 2.563 -7.379 1.00 0.00 C ATOM 227 O ASN B 17 -5.467 2.946 -6.345 1.00 0.00 O ATOM 228 CB ASN B 17 -6.119 4.632 -8.761 1.00 0.00 C ATOM 229 CG ASN B 17 -6.932 5.544 -9.655 1.00 0.00 C ATOM 230 OD1 ASN B 17 -7.049 5.320 -10.862 1.00 0.00 O ATOM 231 ND2 ASN B 17 -7.502 6.583 -9.066 1.00 0.00 N ATOM 0 H ASN B 17 -7.630 4.622 -6.543 1.00 0.00 H new ATOM 0 HA ASN B 17 -7.410 2.918 -8.957 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -5.682 5.221 -7.954 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -5.292 4.215 -9.335 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -8.063 7.235 -9.614 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -7.380 6.732 -8.064 1.00 0.00 H new ATOM 238 N ASN B 18 -5.846 1.348 -7.888 1.00 0.00 N ATOM 239 CA ASN B 18 -5.009 0.354 -7.228 1.00 0.00 C ATOM 240 C ASN B 18 -3.543 0.745 -7.327 1.00 0.00 C ATOM 241 O ASN B 18 -2.740 0.403 -6.464 1.00 0.00 O ATOM 242 CB ASN B 18 -5.238 -1.047 -7.825 1.00 0.00 C ATOM 243 CG ASN B 18 -4.607 -1.257 -9.196 1.00 0.00 C ATOM 244 OD1 ASN B 18 -4.496 -0.333 -10.000 1.00 0.00 O ATOM 245 ND2 ASN B 18 -4.195 -2.484 -9.472 1.00 0.00 N ATOM 0 H ASN B 18 -6.275 1.028 -8.756 1.00 0.00 H new ATOM 0 HA ASN B 18 -5.289 0.320 -6.175 1.00 0.00 H new ATOM 0 HB2 ASN B 18 -4.839 -1.792 -7.137 1.00 0.00 H new ATOM 0 HB3 ASN B 18 -6.311 -1.226 -7.901 1.00 0.00 H new ATOM 0 HD21 ASN B 18 -3.769 -2.688 -10.376 1.00 0.00 H new ATOM 0 HD22 ASN B 18 -4.303 -3.226 -8.780 1.00 0.00 H new ATOM 252 N GLY B 19 -3.211 1.476 -8.381 1.00 0.00 N ATOM 253 CA GLY B 19 -1.852 1.937 -8.573 1.00 0.00 C ATOM 254 C GLY B 19 -1.538 3.181 -7.773 1.00 0.00 C ATOM 255 O GLY B 19 -0.413 3.355 -7.321 1.00 0.00 O ATOM 0 H GLY B 19 -3.864 1.760 -9.111 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -1.160 1.144 -8.289 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -1.688 2.140 -9.631 1.00 0.00 H new ATOM 259 N ALA B 20 -2.522 4.057 -7.609 1.00 0.00 N ATOM 260 CA ALA B 20 -2.367 5.213 -6.732 1.00 0.00 C ATOM 261 C ALA B 20 -2.203 4.731 -5.298 1.00 0.00 C ATOM 262 O ALA B 20 -1.421 5.285 -4.524 1.00 0.00 O ATOM 263 CB ALA B 20 -3.567 6.144 -6.848 1.00 0.00 C ATOM 0 H ALA B 20 -3.430 3.991 -8.068 1.00 0.00 H new ATOM 0 HA ALA B 20 -1.481 5.774 -7.031 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.430 6.999 -6.186 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -3.659 6.493 -7.877 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -4.473 5.607 -6.565 1.00 0.00 H new ATOM 269 N CYS B 21 -2.958 3.687 -4.963 1.00 0.00 N ATOM 270 CA CYS B 21 -2.793 2.979 -3.701 1.00 0.00 C ATOM 271 C CYS B 21 -1.395 2.377 -3.626 1.00 0.00 C ATOM 272 O CYS B 21 -0.677 2.571 -2.644 1.00 0.00 O ATOM 273 CB CYS B 21 -3.853 1.878 -3.579 1.00 0.00 C ATOM 274 SG CYS B 21 -3.587 0.719 -2.199 1.00 0.00 S ATOM 0 H CYS B 21 -3.697 3.311 -5.557 1.00 0.00 H new ATOM 0 HA CYS B 21 -2.919 3.680 -2.876 1.00 0.00 H new ATOM 0 HB2 CYS B 21 -4.831 2.345 -3.461 1.00 0.00 H new ATOM 0 HB3 CYS B 21 -3.880 1.313 -4.511 1.00 0.00 H new ATOM 279 N ARG B 22 -1.008 1.678 -4.696 1.00 0.00 N ATOM 280 CA ARG B 22 0.316 1.076 -4.803 1.00 0.00 C ATOM 281 C ARG B 22 1.389 2.119 -4.534 1.00 0.00 C ATOM 282 O ARG B 22 2.218 1.965 -3.642 1.00 0.00 O ATOM 283 CB ARG B 22 0.491 0.513 -6.215 1.00 0.00 C ATOM 284 CG ARG B 22 1.859 -0.078 -6.504 1.00 0.00 C ATOM 285 CD ARG B 22 1.996 -0.416 -7.981 1.00 0.00 C ATOM 286 NE ARG B 22 1.864 0.774 -8.823 1.00 0.00 N ATOM 287 CZ ARG B 22 1.332 0.775 -10.046 1.00 0.00 C ATOM 288 NH1 ARG B 22 0.896 -0.356 -10.587 1.00 0.00 N ATOM 289 NH2 ARG B 22 1.236 1.910 -10.728 1.00 0.00 N ATOM 0 H ARG B 22 -1.604 1.516 -5.508 1.00 0.00 H new ATOM 0 HA ARG B 22 0.412 0.277 -4.068 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.263 -0.257 -6.379 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.296 1.309 -6.934 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.635 0.630 -6.214 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.007 -0.976 -5.905 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.965 -0.882 -8.159 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.235 -1.145 -8.260 1.00 0.00 H new ATOM 0 HE ARG B 22 2.201 1.661 -8.450 1.00 0.00 H new ATOM 0 HH11 ARG B 22 0.967 -1.231 -10.067 1.00 0.00 H new ATOM 0 HH12 ARG B 22 0.490 -0.350 -11.523 1.00 0.00 H new ATOM 0 HH21 ARG B 22 1.569 2.782 -10.317 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.829 1.910 -11.663 1.00 0.00 H new ATOM 303 N ASN B 23 1.310 3.190 -5.305 1.00 0.00 N ATOM 304 CA ASN B 23 2.270 4.286 -5.285 1.00 0.00 C ATOM 305 C ASN B 23 2.492 4.822 -3.875 1.00 0.00 C ATOM 306 O ASN B 23 3.630 4.990 -3.432 1.00 0.00 O ATOM 307 CB ASN B 23 1.725 5.403 -6.179 1.00 0.00 C ATOM 308 CG ASN B 23 2.717 6.504 -6.486 1.00 0.00 C ATOM 309 OD1 ASN B 23 3.674 6.742 -5.750 1.00 0.00 O ATOM 310 ND2 ASN B 23 2.470 7.200 -7.579 1.00 0.00 N ATOM 0 H ASN B 23 0.558 3.327 -5.980 1.00 0.00 H new ATOM 0 HA ASN B 23 3.232 3.922 -5.647 1.00 0.00 H new ATOM 0 HB2 ASN B 23 1.385 4.966 -7.118 1.00 0.00 H new ATOM 0 HB3 ASN B 23 0.852 5.843 -5.697 1.00 0.00 H new ATOM 0 HD21 ASN B 23 3.084 7.970 -7.843 1.00 0.00 H new ATOM 0 HD22 ASN B 23 1.665 6.968 -8.160 1.00 0.00 H new ATOM 317 N GLN B 24 1.401 5.083 -3.175 1.00 0.00 N ATOM 318 CA GLN B 24 1.474 5.655 -1.839 1.00 0.00 C ATOM 319 C GLN B 24 2.164 4.689 -0.894 1.00 0.00 C ATOM 320 O GLN B 24 3.033 5.080 -0.110 1.00 0.00 O ATOM 321 CB GLN B 24 0.079 5.983 -1.329 1.00 0.00 C ATOM 322 CG GLN B 24 0.079 6.978 -0.185 1.00 0.00 C ATOM 323 CD GLN B 24 -1.314 7.406 0.207 1.00 0.00 C ATOM 324 OE1 GLN B 24 -1.856 8.381 -0.324 1.00 0.00 O ATOM 325 NE2 GLN B 24 -1.901 6.691 1.146 1.00 0.00 N ATOM 0 H GLN B 24 0.453 4.908 -3.509 1.00 0.00 H new ATOM 0 HA GLN B 24 2.054 6.577 -1.884 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -0.516 6.383 -2.150 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -0.407 5.064 -1.002 1.00 0.00 H new ATOM 0 HG2 GLN B 24 0.576 6.535 0.678 1.00 0.00 H new ATOM 0 HG3 GLN B 24 0.659 7.856 -0.471 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -1.416 5.893 1.557 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -2.840 6.935 1.461 1.00 0.00 H new ATOM 334 N CYS B 25 1.776 3.427 -0.988 1.00 0.00 N ATOM 335 CA CYS B 25 2.425 2.363 -0.233 1.00 0.00 C ATOM 336 C CYS B 25 3.928 2.347 -0.516 1.00 0.00 C ATOM 337 O CYS B 25 4.728 2.178 0.401 1.00 0.00 O ATOM 338 CB CYS B 25 1.815 1.003 -0.588 1.00 0.00 C ATOM 339 SG CYS B 25 0.054 0.818 -0.157 1.00 0.00 S ATOM 0 H CYS B 25 1.010 3.112 -1.583 1.00 0.00 H new ATOM 0 HA CYS B 25 2.267 2.554 0.829 1.00 0.00 H new ATOM 0 HB2 CYS B 25 1.932 0.837 -1.659 1.00 0.00 H new ATOM 0 HB3 CYS B 25 2.382 0.223 -0.081 1.00 0.00 H new ATOM 344 N ILE B 26 4.305 2.542 -1.782 1.00 0.00 N ATOM 345 CA ILE B 26 5.713 2.542 -2.187 1.00 0.00 C ATOM 346 C ILE B 26 6.506 3.580 -1.409 1.00 0.00 C ATOM 347 O ILE B 26 7.467 3.263 -0.712 1.00 0.00 O ATOM 348 CB ILE B 26 5.903 2.877 -3.688 1.00 0.00 C ATOM 349 CG1 ILE B 26 4.952 2.085 -4.581 1.00 0.00 C ATOM 350 CG2 ILE B 26 7.343 2.620 -4.106 1.00 0.00 C ATOM 351 CD1 ILE B 26 5.003 0.598 -4.366 1.00 0.00 C ATOM 0 H ILE B 26 3.651 2.703 -2.548 1.00 0.00 H new ATOM 0 HA ILE B 26 6.069 1.532 -1.984 1.00 0.00 H new ATOM 0 HB ILE B 26 5.668 3.934 -3.815 1.00 0.00 H new ATOM 0 HG12 ILE B 26 3.933 2.432 -4.406 1.00 0.00 H new ATOM 0 HG13 ILE B 26 5.187 2.299 -5.624 1.00 0.00 H new ATOM 0 HG21 ILE B 26 7.463 2.859 -5.163 1.00 0.00 H new ATOM 0 HG22 ILE B 26 8.011 3.246 -3.514 1.00 0.00 H new ATOM 0 HG23 ILE B 26 7.588 1.571 -3.941 1.00 0.00 H new ATOM 0 HD11 ILE B 26 4.298 0.109 -5.038 1.00 0.00 H new ATOM 0 HD12 ILE B 26 6.010 0.235 -4.570 1.00 0.00 H new ATOM 0 HD13 ILE B 26 4.737 0.370 -3.334 1.00 0.00 H new ATOM 363 N ARG B 27 6.083 4.822 -1.541 1.00 0.00 N ATOM 364 CA ARG B 27 6.860 5.955 -1.051 1.00 0.00 C ATOM 365 C ARG B 27 6.685 6.173 0.447 1.00 0.00 C ATOM 366 O ARG B 27 7.664 6.278 1.184 1.00 0.00 O ATOM 367 CB ARG B 27 6.469 7.222 -1.811 1.00 0.00 C ATOM 368 CG ARG B 27 6.414 7.020 -3.314 1.00 0.00 C ATOM 369 CD ARG B 27 6.243 8.332 -4.062 1.00 0.00 C ATOM 370 NE ARG B 27 5.019 9.035 -3.691 1.00 0.00 N ATOM 371 CZ ARG B 27 4.506 10.050 -4.386 1.00 0.00 C ATOM 372 NH1 ARG B 27 5.094 10.459 -5.504 1.00 0.00 N ATOM 373 NH2 ARG B 27 3.405 10.653 -3.964 1.00 0.00 N ATOM 0 H ARG B 27 5.201 5.078 -1.985 1.00 0.00 H new ATOM 0 HA ARG B 27 7.912 5.728 -1.225 1.00 0.00 H new ATOM 0 HB2 ARG B 27 5.495 7.563 -1.460 1.00 0.00 H new ATOM 0 HB3 ARG B 27 7.185 8.012 -1.582 1.00 0.00 H new ATOM 0 HG2 ARG B 27 7.329 6.530 -3.647 1.00 0.00 H new ATOM 0 HG3 ARG B 27 5.588 6.353 -3.560 1.00 0.00 H new ATOM 0 HD2 ARG B 27 7.101 8.974 -3.862 1.00 0.00 H new ATOM 0 HD3 ARG B 27 6.234 8.136 -5.134 1.00 0.00 H new ATOM 0 HE ARG B 27 4.527 8.732 -2.850 1.00 0.00 H new ATOM 0 HH11 ARG B 27 5.941 9.996 -5.834 1.00 0.00 H new ATOM 0 HH12 ARG B 27 4.699 11.236 -6.033 1.00 0.00 H new ATOM 0 HH21 ARG B 27 2.949 10.341 -3.107 1.00 0.00 H new ATOM 0 HH22 ARG B 27 3.013 11.430 -4.496 1.00 0.00 H new ATOM 387 N LEU B 28 5.444 6.236 0.898 1.00 0.00 N ATOM 388 CA LEU B 28 5.167 6.572 2.293 1.00 0.00 C ATOM 389 C LEU B 28 5.368 5.379 3.218 1.00 0.00 C ATOM 390 O LEU B 28 5.946 5.514 4.298 1.00 0.00 O ATOM 391 CB LEU B 28 3.746 7.115 2.454 1.00 0.00 C ATOM 392 CG LEU B 28 3.470 8.450 1.760 1.00 0.00 C ATOM 393 CD1 LEU B 28 2.035 8.889 1.997 1.00 0.00 C ATOM 394 CD2 LEU B 28 4.439 9.519 2.245 1.00 0.00 C ATOM 0 H LEU B 28 4.616 6.062 0.329 1.00 0.00 H new ATOM 0 HA LEU B 28 5.881 7.345 2.577 1.00 0.00 H new ATOM 0 HB2 LEU B 28 3.046 6.373 2.069 1.00 0.00 H new ATOM 0 HB3 LEU B 28 3.537 7.228 3.518 1.00 0.00 H new ATOM 0 HG LEU B 28 3.617 8.313 0.689 1.00 0.00 H new ATOM 0 HD11 LEU B 28 1.858 9.840 1.496 1.00 0.00 H new ATOM 0 HD12 LEU B 28 1.354 8.137 1.599 1.00 0.00 H new ATOM 0 HD13 LEU B 28 1.862 9.005 3.067 1.00 0.00 H new ATOM 0 HD21 LEU B 28 4.225 10.460 1.739 1.00 0.00 H new ATOM 0 HD22 LEU B 28 4.326 9.652 3.321 1.00 0.00 H new ATOM 0 HD23 LEU B 28 5.461 9.212 2.023 1.00 0.00 H new ATOM 406 N GLU B 29 4.901 4.214 2.802 1.00 0.00 N ATOM 407 CA GLU B 29 4.946 3.038 3.662 1.00 0.00 C ATOM 408 C GLU B 29 6.091 2.108 3.279 1.00 0.00 C ATOM 409 O GLU B 29 6.289 1.057 3.886 1.00 0.00 O ATOM 410 CB GLU B 29 3.598 2.315 3.633 1.00 0.00 C ATOM 411 CG GLU B 29 2.467 3.189 4.148 1.00 0.00 C ATOM 412 CD GLU B 29 1.181 2.434 4.410 1.00 0.00 C ATOM 413 OE1 GLU B 29 1.216 1.428 5.151 1.00 0.00 O ATOM 414 OE2 GLU B 29 0.123 2.867 3.910 1.00 0.00 O ATOM 0 H GLU B 29 4.489 4.055 1.882 1.00 0.00 H new ATOM 0 HA GLU B 29 5.137 3.366 4.684 1.00 0.00 H new ATOM 0 HB2 GLU B 29 3.377 2.002 2.612 1.00 0.00 H new ATOM 0 HB3 GLU B 29 3.660 1.410 4.238 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.787 3.674 5.070 1.00 0.00 H new ATOM 0 HG3 GLU B 29 2.272 3.979 3.423 1.00 0.00 H new ATOM 421 N LYS B 30 6.852 2.529 2.275 1.00 0.00 N ATOM 422 CA LYS B 30 8.034 1.801 1.805 1.00 0.00 C ATOM 423 C LYS B 30 7.690 0.374 1.371 1.00 0.00 C ATOM 424 O LYS B 30 8.523 -0.530 1.448 1.00 0.00 O ATOM 425 CB LYS B 30 9.122 1.787 2.885 1.00 0.00 C ATOM 426 CG LYS B 30 9.587 3.174 3.304 1.00 0.00 C ATOM 427 CD LYS B 30 10.199 3.941 2.142 1.00 0.00 C ATOM 428 CE LYS B 30 10.646 5.331 2.565 1.00 0.00 C ATOM 429 NZ LYS B 30 11.686 5.284 3.625 1.00 0.00 N ATOM 0 H LYS B 30 6.669 3.389 1.759 1.00 0.00 H new ATOM 0 HA LYS B 30 8.414 2.326 0.929 1.00 0.00 H new ATOM 0 HB2 LYS B 30 8.745 1.260 3.761 1.00 0.00 H new ATOM 0 HB3 LYS B 30 9.979 1.222 2.518 1.00 0.00 H new ATOM 0 HG2 LYS B 30 8.742 3.735 3.705 1.00 0.00 H new ATOM 0 HG3 LYS B 30 10.320 3.085 4.106 1.00 0.00 H new ATOM 0 HD2 LYS B 30 11.052 3.388 1.748 1.00 0.00 H new ATOM 0 HD3 LYS B 30 9.471 4.022 1.335 1.00 0.00 H new ATOM 0 HE2 LYS B 30 11.036 5.866 1.699 1.00 0.00 H new ATOM 0 HE3 LYS B 30 9.785 5.894 2.926 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 12.107 6.228 3.741 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 11.254 4.985 4.522 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 12.427 4.606 3.355 1.00 0.00 H new ATOM 443 N ALA B 31 6.465 0.184 0.904 1.00 0.00 N ATOM 444 CA ALA B 31 6.015 -1.109 0.415 1.00 0.00 C ATOM 445 C ALA B 31 6.554 -1.351 -0.987 1.00 0.00 C ATOM 446 O ALA B 31 6.817 -0.408 -1.731 1.00 0.00 O ATOM 447 CB ALA B 31 4.495 -1.171 0.418 1.00 0.00 C ATOM 0 H ALA B 31 5.759 0.918 0.854 1.00 0.00 H new ATOM 0 HA ALA B 31 6.394 -1.889 1.075 1.00 0.00 H new ATOM 0 HB1 ALA B 31 4.170 -2.144 0.050 1.00 0.00 H new ATOM 0 HB2 ALA B 31 4.127 -1.026 1.434 1.00 0.00 H new ATOM 0 HB3 ALA B 31 4.098 -0.388 -0.227 1.00 0.00 H new ATOM 453 N ARG B 32 6.750 -2.614 -1.335 1.00 0.00 N ATOM 454 CA ARG B 32 7.262 -2.972 -2.647 1.00 0.00 C ATOM 455 C ARG B 32 6.144 -3.009 -3.675 1.00 0.00 C ATOM 456 O ARG B 32 6.376 -2.841 -4.873 1.00 0.00 O ATOM 457 CB ARG B 32 7.961 -4.323 -2.576 1.00 0.00 C ATOM 458 CG ARG B 32 9.118 -4.372 -1.581 1.00 0.00 C ATOM 459 CD ARG B 32 10.224 -3.369 -1.909 1.00 0.00 C ATOM 460 NE ARG B 32 9.783 -1.983 -1.740 1.00 0.00 N ATOM 461 CZ ARG B 32 10.435 -0.921 -2.210 1.00 0.00 C ATOM 462 NH1 ARG B 32 11.632 -1.061 -2.768 1.00 0.00 N ATOM 463 NH2 ARG B 32 9.897 0.287 -2.097 1.00 0.00 N ATOM 0 H ARG B 32 6.561 -3.409 -0.725 1.00 0.00 H new ATOM 0 HA ARG B 32 7.980 -2.213 -2.958 1.00 0.00 H new ATOM 0 HB2 ARG B 32 7.230 -5.085 -2.305 1.00 0.00 H new ATOM 0 HB3 ARG B 32 8.336 -4.579 -3.567 1.00 0.00 H new ATOM 0 HG2 ARG B 32 8.738 -4.172 -0.579 1.00 0.00 H new ATOM 0 HG3 ARG B 32 9.538 -5.378 -1.568 1.00 0.00 H new ATOM 0 HD2 ARG B 32 11.084 -3.556 -1.266 1.00 0.00 H new ATOM 0 HD3 ARG B 32 10.556 -3.520 -2.936 1.00 0.00 H new ATOM 0 HE ARG B 32 8.917 -1.820 -1.227 1.00 0.00 H new ATOM 0 HH11 ARG B 32 12.057 -1.986 -2.838 1.00 0.00 H new ATOM 0 HH12 ARG B 32 12.126 -0.244 -3.126 1.00 0.00 H new ATOM 0 HH21 ARG B 32 8.987 0.400 -1.651 1.00 0.00 H new ATOM 0 HH22 ARG B 32 10.394 1.102 -2.456 1.00 0.00 H new ATOM 477 N HIS B 33 4.934 -3.233 -3.198 1.00 0.00 N ATOM 478 CA HIS B 33 3.762 -3.261 -4.056 1.00 0.00 C ATOM 479 C HIS B 33 2.527 -2.884 -3.243 1.00 0.00 C ATOM 480 O HIS B 33 2.590 -2.812 -2.020 1.00 0.00 O ATOM 481 CB HIS B 33 3.610 -4.656 -4.689 1.00 0.00 C ATOM 482 CG HIS B 33 2.476 -4.779 -5.667 1.00 0.00 C ATOM 483 ND1 HIS B 33 2.482 -4.180 -6.906 1.00 0.00 N ATOM 484 CD2 HIS B 33 1.289 -5.426 -5.570 1.00 0.00 C ATOM 485 CE1 HIS B 33 1.348 -4.449 -7.529 1.00 0.00 C ATOM 486 NE2 HIS B 33 0.608 -5.206 -6.740 1.00 0.00 N ATOM 0 H HIS B 33 4.735 -3.400 -2.212 1.00 0.00 H new ATOM 0 HA HIS B 33 3.877 -2.537 -4.862 1.00 0.00 H new ATOM 0 HB2 HIS B 33 4.540 -4.913 -5.197 1.00 0.00 H new ATOM 0 HB3 HIS B 33 3.468 -5.388 -3.894 1.00 0.00 H new ATOM 0 HD2 HIS B 33 0.944 -6.007 -4.728 1.00 0.00 H new ATOM 0 HE1 HIS B 33 1.073 -4.108 -8.516 1.00 0.00 H new ATOM 0 HE2 HIS B 33 -0.319 -5.568 -6.964 1.00 0.00 H new ATOM 495 N GLY B 34 1.430 -2.606 -3.924 1.00 0.00 N ATOM 496 CA GLY B 34 0.172 -2.349 -3.257 1.00 0.00 C ATOM 497 C GLY B 34 -0.961 -2.342 -4.249 1.00 0.00 C ATOM 498 O GLY B 34 -0.725 -2.167 -5.443 1.00 0.00 O ATOM 0 H GLY B 34 1.388 -2.553 -4.942 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -0.006 -3.111 -2.498 1.00 0.00 H new ATOM 0 HA3 GLY B 34 0.217 -1.390 -2.741 1.00 0.00 H new ATOM 502 N SER B 35 -2.175 -2.554 -3.776 1.00 0.00 N ATOM 503 CA SER B 35 -3.340 -2.598 -4.646 1.00 0.00 C ATOM 504 C SER B 35 -4.614 -2.416 -3.840 1.00 0.00 C ATOM 505 O SER B 35 -4.662 -2.746 -2.656 1.00 0.00 O ATOM 506 CB SER B 35 -3.398 -3.935 -5.394 1.00 0.00 C ATOM 507 OG SER B 35 -2.288 -4.089 -6.265 1.00 0.00 O ATOM 0 H SER B 35 -2.383 -2.700 -2.788 1.00 0.00 H new ATOM 0 HA SER B 35 -3.255 -1.785 -5.367 1.00 0.00 H new ATOM 0 HB2 SER B 35 -3.416 -4.755 -4.676 1.00 0.00 H new ATOM 0 HB3 SER B 35 -4.323 -3.993 -5.967 1.00 0.00 H new ATOM 0 HG SER B 35 -1.791 -3.246 -6.313 1.00 0.00 H new ATOM 513 N CYS B 36 -5.640 -1.875 -4.478 1.00 0.00 N ATOM 514 CA CYS B 36 -6.938 -1.767 -3.870 1.00 0.00 C ATOM 515 C CYS B 36 -7.630 -3.120 -3.879 1.00 0.00 C ATOM 516 O CYS B 36 -8.456 -3.409 -4.747 1.00 0.00 O ATOM 517 CB CYS B 36 -7.772 -0.741 -4.614 1.00 0.00 C ATOM 518 SG CYS B 36 -7.251 0.977 -4.350 1.00 0.00 S ATOM 0 H CYS B 36 -5.588 -1.503 -5.426 1.00 0.00 H new ATOM 0 HA CYS B 36 -6.823 -1.442 -2.836 1.00 0.00 H new ATOM 0 HB2 CYS B 36 -7.731 -0.961 -5.681 1.00 0.00 H new ATOM 0 HB3 CYS B 36 -8.813 -0.844 -4.307 1.00 0.00 H new ATOM 523 N ASN B 37 -7.280 -3.939 -2.907 1.00 0.00 N ATOM 524 CA ASN B 37 -7.781 -5.295 -2.823 1.00 0.00 C ATOM 525 C ASN B 37 -9.194 -5.305 -2.274 1.00 0.00 C ATOM 526 O ASN B 37 -9.620 -4.371 -1.590 1.00 0.00 O ATOM 527 CB ASN B 37 -6.835 -6.143 -1.969 1.00 0.00 C ATOM 528 CG ASN B 37 -7.528 -7.082 -1.016 1.00 0.00 C ATOM 529 OD1 ASN B 37 -7.779 -8.243 -1.333 1.00 0.00 O ATOM 530 ND2 ASN B 37 -7.868 -6.571 0.147 1.00 0.00 N ATOM 0 H ASN B 37 -6.641 -3.683 -2.154 1.00 0.00 H new ATOM 0 HA ASN B 37 -7.818 -5.730 -3.822 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -6.192 -6.725 -2.630 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -6.187 -5.478 -1.398 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -8.362 -7.144 0.831 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -7.638 -5.602 0.365 1.00 0.00 H new ATOM 537 N TYR B 38 -9.917 -6.358 -2.576 1.00 0.00 N ATOM 538 CA TYR B 38 -11.324 -6.416 -2.236 1.00 0.00 C ATOM 539 C TYR B 38 -11.544 -6.929 -0.816 1.00 0.00 C ATOM 540 O TYR B 38 -11.782 -8.117 -0.598 1.00 0.00 O ATOM 541 CB TYR B 38 -12.091 -7.278 -3.236 1.00 0.00 C ATOM 542 CG TYR B 38 -13.588 -7.191 -3.058 1.00 0.00 C ATOM 543 CD1 TYR B 38 -14.259 -6.000 -3.292 1.00 0.00 C ATOM 544 CD2 TYR B 38 -14.326 -8.291 -2.651 1.00 0.00 C ATOM 545 CE1 TYR B 38 -15.626 -5.907 -3.127 1.00 0.00 C ATOM 546 CE2 TYR B 38 -15.694 -8.208 -2.483 1.00 0.00 C ATOM 547 CZ TYR B 38 -16.340 -7.012 -2.724 1.00 0.00 C ATOM 548 OH TYR B 38 -17.701 -6.922 -2.554 1.00 0.00 O ATOM 0 H TYR B 38 -9.558 -7.184 -3.055 1.00 0.00 H new ATOM 0 HA TYR B 38 -11.708 -5.397 -2.285 1.00 0.00 H new ATOM 0 HB2 TYR B 38 -11.832 -6.969 -4.249 1.00 0.00 H new ATOM 0 HB3 TYR B 38 -11.777 -8.316 -3.129 1.00 0.00 H new ATOM 0 HD1 TYR B 38 -13.702 -5.130 -3.609 1.00 0.00 H new ATOM 0 HD2 TYR B 38 -13.823 -9.228 -2.462 1.00 0.00 H new ATOM 0 HE1 TYR B 38 -16.133 -4.972 -3.313 1.00 0.00 H new ATOM 0 HE2 TYR B 38 -16.256 -9.074 -2.165 1.00 0.00 H new ATOM 0 HH TYR B 38 -17.995 -7.596 -1.906 1.00 0.00 H new ATOM 558 N VAL B 39 -11.434 -6.025 0.145 1.00 0.00 N ATOM 559 CA VAL B 39 -11.873 -6.304 1.502 1.00 0.00 C ATOM 560 C VAL B 39 -13.383 -6.108 1.578 1.00 0.00 C ATOM 561 O VAL B 39 -13.863 -4.983 1.742 1.00 0.00 O ATOM 562 CB VAL B 39 -11.185 -5.392 2.544 1.00 0.00 C ATOM 563 CG1 VAL B 39 -11.676 -5.708 3.950 1.00 0.00 C ATOM 564 CG2 VAL B 39 -9.674 -5.531 2.468 1.00 0.00 C ATOM 0 H VAL B 39 -11.044 -5.092 0.010 1.00 0.00 H new ATOM 0 HA VAL B 39 -11.598 -7.332 1.739 1.00 0.00 H new ATOM 0 HB VAL B 39 -11.449 -4.360 2.312 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -11.178 -5.054 4.665 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.753 -5.550 4.003 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -11.449 -6.747 4.190 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -9.211 -4.880 3.210 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -9.393 -6.565 2.667 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -9.332 -5.247 1.473 1.00 0.00 H new ATOM 574 N PHE B 40 -14.114 -7.211 1.436 1.00 0.00 N ATOM 575 CA PHE B 40 -15.573 -7.195 1.351 1.00 0.00 C ATOM 576 C PHE B 40 -16.189 -6.262 2.397 1.00 0.00 C ATOM 577 O PHE B 40 -15.797 -6.282 3.565 1.00 0.00 O ATOM 578 CB PHE B 40 -16.110 -8.621 1.526 1.00 0.00 C ATOM 579 CG PHE B 40 -17.601 -8.756 1.386 1.00 0.00 C ATOM 580 CD1 PHE B 40 -18.192 -8.799 0.135 1.00 0.00 C ATOM 581 CD2 PHE B 40 -18.409 -8.848 2.507 1.00 0.00 C ATOM 582 CE1 PHE B 40 -19.560 -8.927 0.003 1.00 0.00 C ATOM 583 CE2 PHE B 40 -19.778 -8.977 2.383 1.00 0.00 C ATOM 584 CZ PHE B 40 -20.354 -9.016 1.128 1.00 0.00 C ATOM 0 H PHE B 40 -13.710 -8.145 1.376 1.00 0.00 H new ATOM 0 HA PHE B 40 -15.855 -6.815 0.369 1.00 0.00 H new ATOM 0 HB2 PHE B 40 -15.630 -9.267 0.791 1.00 0.00 H new ATOM 0 HB3 PHE B 40 -15.817 -8.986 2.511 1.00 0.00 H new ATOM 0 HD1 PHE B 40 -17.575 -8.732 -0.749 1.00 0.00 H new ATOM 0 HD2 PHE B 40 -17.963 -8.818 3.490 1.00 0.00 H new ATOM 0 HE1 PHE B 40 -20.008 -8.957 -0.979 1.00 0.00 H new ATOM 0 HE2 PHE B 40 -20.397 -9.047 3.265 1.00 0.00 H new ATOM 0 HZ PHE B 40 -21.425 -9.116 1.027 1.00 0.00 H new ATOM 594 N PRO B 41 -17.170 -5.439 1.994 1.00 0.00 N ATOM 595 CA PRO B 41 -17.704 -5.414 0.637 1.00 0.00 C ATOM 596 C PRO B 41 -17.144 -4.275 -0.229 1.00 0.00 C ATOM 597 O PRO B 41 -17.829 -3.780 -1.130 1.00 0.00 O ATOM 598 CB PRO B 41 -19.180 -5.168 0.923 1.00 0.00 C ATOM 599 CG PRO B 41 -19.172 -4.227 2.090 1.00 0.00 C ATOM 600 CD PRO B 41 -17.886 -4.481 2.849 1.00 0.00 C ATOM 0 HA PRO B 41 -17.462 -6.315 0.073 1.00 0.00 H new ATOM 0 HB2 PRO B 41 -19.686 -4.731 0.062 1.00 0.00 H new ATOM 0 HB3 PRO B 41 -19.700 -6.096 1.162 1.00 0.00 H new ATOM 0 HG2 PRO B 41 -19.223 -3.192 1.752 1.00 0.00 H new ATOM 0 HG3 PRO B 41 -20.038 -4.397 2.729 1.00 0.00 H new ATOM 0 HD2 PRO B 41 -17.315 -3.563 2.990 1.00 0.00 H new ATOM 0 HD3 PRO B 41 -18.079 -4.892 3.840 1.00 0.00 H new ATOM 608 N ALA B 42 -15.912 -3.856 0.031 1.00 0.00 N ATOM 609 CA ALA B 42 -15.345 -2.712 -0.673 1.00 0.00 C ATOM 610 C ALA B 42 -13.906 -2.964 -1.109 1.00 0.00 C ATOM 611 O ALA B 42 -13.275 -3.932 -0.697 1.00 0.00 O ATOM 612 CB ALA B 42 -15.416 -1.479 0.212 1.00 0.00 C ATOM 0 H ALA B 42 -15.291 -4.286 0.717 1.00 0.00 H new ATOM 0 HA ALA B 42 -15.934 -2.552 -1.576 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -14.991 -0.626 -0.318 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -16.456 -1.270 0.462 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -14.851 -1.655 1.128 1.00 0.00 H new ATOM 618 N HIS B 43 -13.401 -2.093 -1.970 1.00 0.00 N ATOM 619 CA HIS B 43 -12.003 -2.134 -2.370 1.00 0.00 C ATOM 620 C HIS B 43 -11.180 -1.250 -1.454 1.00 0.00 C ATOM 621 O HIS B 43 -11.301 -0.024 -1.477 1.00 0.00 O ATOM 622 CB HIS B 43 -11.823 -1.696 -3.826 1.00 0.00 C ATOM 623 CG HIS B 43 -12.077 -2.787 -4.818 1.00 0.00 C ATOM 624 ND1 HIS B 43 -11.067 -3.549 -5.371 1.00 0.00 N ATOM 625 CD2 HIS B 43 -13.229 -3.247 -5.358 1.00 0.00 C ATOM 626 CE1 HIS B 43 -11.588 -4.428 -6.204 1.00 0.00 C ATOM 627 NE2 HIS B 43 -12.896 -4.267 -6.214 1.00 0.00 N ATOM 0 H HIS B 43 -13.942 -1.346 -2.407 1.00 0.00 H new ATOM 0 HA HIS B 43 -11.658 -3.165 -2.288 1.00 0.00 H new ATOM 0 HB2 HIS B 43 -12.498 -0.865 -4.032 1.00 0.00 H new ATOM 0 HB3 HIS B 43 -10.808 -1.323 -3.961 1.00 0.00 H new ATOM 0 HD1 HIS B 43 -10.073 -3.448 -5.167 1.00 0.00 H new ATOM 0 HD2 HIS B 43 -14.224 -2.880 -5.154 1.00 0.00 H new ATOM 0 HE1 HIS B 43 -11.037 -5.156 -6.780 1.00 0.00 H new ATOM 636 N LYS B 44 -10.348 -1.881 -0.648 1.00 0.00 N ATOM 637 CA LYS B 44 -9.530 -1.176 0.319 1.00 0.00 C ATOM 638 C LYS B 44 -8.097 -1.141 -0.155 1.00 0.00 C ATOM 639 O LYS B 44 -7.629 -2.069 -0.814 1.00 0.00 O ATOM 640 CB LYS B 44 -9.611 -1.854 1.684 1.00 0.00 C ATOM 641 CG LYS B 44 -10.932 -1.628 2.394 1.00 0.00 C ATOM 642 CD LYS B 44 -11.017 -0.235 2.995 1.00 0.00 C ATOM 643 CE LYS B 44 -12.338 -0.019 3.718 1.00 0.00 C ATOM 644 NZ LYS B 44 -12.525 -0.973 4.843 1.00 0.00 N ATOM 0 H LYS B 44 -10.220 -2.893 -0.645 1.00 0.00 H new ATOM 0 HA LYS B 44 -9.903 -0.156 0.416 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -9.453 -2.925 1.559 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -8.801 -1.484 2.313 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -11.752 -1.771 1.691 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -11.054 -2.372 3.181 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -10.192 -0.087 3.691 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -10.906 0.510 2.207 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -12.379 1.002 4.099 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -13.160 -0.129 3.010 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -13.317 -0.657 5.438 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -12.732 -1.919 4.465 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -11.657 -1.011 5.414 1.00 0.00 H new ATOM 658 N CYS B 45 -7.408 -0.075 0.178 1.00 0.00 N ATOM 659 CA CYS B 45 -6.028 0.079 -0.230 1.00 0.00 C ATOM 660 C CYS B 45 -5.162 -0.857 0.601 1.00 0.00 C ATOM 661 O CYS B 45 -5.086 -0.725 1.823 1.00 0.00 O ATOM 662 CB CYS B 45 -5.582 1.534 -0.060 1.00 0.00 C ATOM 663 SG CYS B 45 -3.855 1.861 -0.544 1.00 0.00 S ATOM 0 H CYS B 45 -7.778 0.699 0.730 1.00 0.00 H new ATOM 0 HA CYS B 45 -5.923 -0.178 -1.284 1.00 0.00 H new ATOM 0 HB2 CYS B 45 -6.238 2.173 -0.651 1.00 0.00 H new ATOM 0 HB3 CYS B 45 -5.713 1.821 0.983 1.00 0.00 H new ATOM 668 N ILE B 46 -4.551 -1.829 -0.048 1.00 0.00 N ATOM 669 CA ILE B 46 -3.755 -2.817 0.649 1.00 0.00 C ATOM 670 C ILE B 46 -2.315 -2.812 0.142 1.00 0.00 C ATOM 671 O ILE B 46 -2.054 -3.061 -1.036 1.00 0.00 O ATOM 672 CB ILE B 46 -4.377 -4.233 0.519 1.00 0.00 C ATOM 673 CG1 ILE B 46 -5.712 -4.310 1.263 1.00 0.00 C ATOM 674 CG2 ILE B 46 -3.430 -5.293 1.045 1.00 0.00 C ATOM 675 CD1 ILE B 46 -5.619 -3.958 2.730 1.00 0.00 C ATOM 0 H ILE B 46 -4.592 -1.955 -1.059 1.00 0.00 H new ATOM 0 HA ILE B 46 -3.746 -2.550 1.706 1.00 0.00 H new ATOM 0 HB ILE B 46 -4.554 -4.421 -0.540 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -6.423 -3.638 0.783 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -6.112 -5.319 1.167 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -3.890 -6.276 0.942 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -2.501 -5.266 0.475 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -3.216 -5.101 2.096 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -6.606 -4.036 3.186 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -4.934 -4.645 3.226 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -5.250 -2.938 2.837 1.00 0.00 H new ATOM 687 N CYS B 47 -1.390 -2.512 1.043 1.00 0.00 N ATOM 688 CA CYS B 47 0.028 -2.474 0.720 1.00 0.00 C ATOM 689 C CYS B 47 0.619 -3.874 0.824 1.00 0.00 C ATOM 690 O CYS B 47 0.165 -4.686 1.621 1.00 0.00 O ATOM 691 CB CYS B 47 0.770 -1.529 1.671 1.00 0.00 C ATOM 692 SG CYS B 47 0.070 0.155 1.765 1.00 0.00 S ATOM 0 H CYS B 47 -1.601 -2.289 2.016 1.00 0.00 H new ATOM 0 HA CYS B 47 0.143 -2.106 -0.300 1.00 0.00 H new ATOM 0 HB2 CYS B 47 0.769 -1.965 2.670 1.00 0.00 H new ATOM 0 HB3 CYS B 47 1.811 -1.459 1.354 1.00 0.00 H new ATOM 697 N TYR B 48 1.613 -4.163 0.010 1.00 0.00 N ATOM 698 CA TYR B 48 2.267 -5.460 0.043 1.00 0.00 C ATOM 699 C TYR B 48 3.682 -5.339 0.571 1.00 0.00 C ATOM 700 O TYR B 48 4.509 -4.610 0.011 1.00 0.00 O ATOM 701 CB TYR B 48 2.303 -6.082 -1.348 1.00 0.00 C ATOM 702 CG TYR B 48 0.968 -6.579 -1.851 1.00 0.00 C ATOM 703 CD1 TYR B 48 -0.148 -5.756 -1.873 1.00 0.00 C ATOM 704 CD2 TYR B 48 0.839 -7.869 -2.334 1.00 0.00 C ATOM 705 CE1 TYR B 48 -1.354 -6.202 -2.361 1.00 0.00 C ATOM 706 CE2 TYR B 48 -0.364 -8.330 -2.818 1.00 0.00 C ATOM 707 CZ TYR B 48 -1.462 -7.494 -2.833 1.00 0.00 C ATOM 708 OH TYR B 48 -2.666 -7.949 -3.322 1.00 0.00 O ATOM 0 H TYR B 48 1.988 -3.518 -0.685 1.00 0.00 H new ATOM 0 HA TYR B 48 1.691 -6.101 0.710 1.00 0.00 H new ATOM 0 HB2 TYR B 48 2.689 -5.344 -2.051 1.00 0.00 H new ATOM 0 HB3 TYR B 48 3.006 -6.915 -1.341 1.00 0.00 H new ATOM 0 HD1 TYR B 48 -0.069 -4.746 -1.500 1.00 0.00 H new ATOM 0 HD2 TYR B 48 1.697 -8.525 -2.331 1.00 0.00 H new ATOM 0 HE1 TYR B 48 -2.211 -5.545 -2.375 1.00 0.00 H new ATOM 0 HE2 TYR B 48 -0.449 -9.342 -3.185 1.00 0.00 H new ATOM 0 HH TYR B 48 -2.570 -8.879 -3.615 1.00 0.00 H new ATOM 718 N PHE B 49 3.954 -6.053 1.646 1.00 0.00 N ATOM 719 CA PHE B 49 5.281 -6.088 2.226 1.00 0.00 C ATOM 720 C PHE B 49 5.817 -7.509 2.171 1.00 0.00 C ATOM 721 O PHE B 49 5.073 -8.464 2.397 1.00 0.00 O ATOM 722 CB PHE B 49 5.247 -5.593 3.674 1.00 0.00 C ATOM 723 CG PHE B 49 4.799 -4.166 3.815 1.00 0.00 C ATOM 724 CD1 PHE B 49 5.711 -3.131 3.732 1.00 0.00 C ATOM 725 CD2 PHE B 49 3.465 -3.860 4.022 1.00 0.00 C ATOM 726 CE1 PHE B 49 5.301 -1.819 3.858 1.00 0.00 C ATOM 727 CE2 PHE B 49 3.049 -2.553 4.145 1.00 0.00 C ATOM 728 CZ PHE B 49 3.968 -1.530 4.063 1.00 0.00 C ATOM 0 H PHE B 49 3.266 -6.622 2.139 1.00 0.00 H new ATOM 0 HA PHE B 49 5.937 -5.430 1.656 1.00 0.00 H new ATOM 0 HB2 PHE B 49 4.580 -6.233 4.252 1.00 0.00 H new ATOM 0 HB3 PHE B 49 6.242 -5.697 4.107 1.00 0.00 H new ATOM 0 HD1 PHE B 49 6.755 -3.351 3.567 1.00 0.00 H new ATOM 0 HD2 PHE B 49 2.740 -4.658 4.088 1.00 0.00 H new ATOM 0 HE1 PHE B 49 6.024 -1.019 3.796 1.00 0.00 H new ATOM 0 HE2 PHE B 49 2.004 -2.330 4.305 1.00 0.00 H new ATOM 0 HZ PHE B 49 3.645 -0.504 4.159 1.00 0.00 H new ATOM 738 N PRO B 50 7.103 -7.674 1.831 1.00 0.00 N ATOM 739 CA PRO B 50 7.738 -8.989 1.762 1.00 0.00 C ATOM 740 C PRO B 50 7.633 -9.741 3.078 1.00 0.00 C ATOM 741 O PRO B 50 8.039 -9.234 4.124 1.00 0.00 O ATOM 742 CB PRO B 50 9.201 -8.676 1.448 1.00 0.00 C ATOM 743 CG PRO B 50 9.184 -7.319 0.841 1.00 0.00 C ATOM 744 CD PRO B 50 8.036 -6.592 1.485 1.00 0.00 C ATOM 0 HA PRO B 50 7.262 -9.629 1.019 1.00 0.00 H new ATOM 0 HB2 PRO B 50 9.811 -8.697 2.351 1.00 0.00 H new ATOM 0 HB3 PRO B 50 9.623 -9.410 0.761 1.00 0.00 H new ATOM 0 HG2 PRO B 50 10.125 -6.799 1.021 1.00 0.00 H new ATOM 0 HG3 PRO B 50 9.053 -7.376 -0.240 1.00 0.00 H new ATOM 0 HD2 PRO B 50 8.355 -6.038 2.368 1.00 0.00 H new ATOM 0 HD3 PRO B 50 7.583 -5.872 0.804 1.00 0.00 H new ATOM 752 N CYS B 51 7.053 -10.930 3.018 1.00 0.00 N ATOM 753 CA CYS B 51 6.915 -11.788 4.192 1.00 0.00 C ATOM 754 C CYS B 51 8.282 -12.113 4.792 1.00 0.00 C ATOM 755 O CYS B 51 8.602 -11.589 5.881 1.00 0.00 O ATOM 756 CB CYS B 51 6.204 -13.084 3.818 1.00 0.00 C ATOM 757 SG CYS B 51 4.795 -12.857 2.691 1.00 0.00 S ATOM 758 OXT CYS B 51 9.043 -12.877 4.162 1.00 0.00 O ATOM 0 H CYS B 51 6.666 -11.328 2.162 1.00 0.00 H new ATOM 0 HA CYS B 51 6.324 -11.251 4.934 1.00 0.00 H new ATOM 0 HB2 CYS B 51 6.922 -13.759 3.353 1.00 0.00 H new ATOM 0 HB3 CYS B 51 5.853 -13.570 4.729 1.00 0.00 H new TER 763 CYS B 51