USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 419 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 ASN : amide:sc= -2.42! C(o=-2.4!,f=-2.3!) USER MOD Set 1.2: A 51 MET CE :methyl 170:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -123:sc= 0.102 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0432 X(o=-0.043,f=-0.19) USER MOD Single : A 6 LYS NZ :NH3+ -157:sc= -0.378 (180deg=-1.33) USER MOD Single : A 10 SER OG : rot 180:sc= 0.028 USER MOD Single : A 11 THR OG1 : rot -147:sc= 0.968 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -143:sc= -0.119 (180deg=-0.543) USER MOD Single : A 27 ASN : amide:sc= -0.54 X(o=-0.54,f=-0.083) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -18:sc= 0.71 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= -0.302 USER MOD Single : A 57 GLN : amide:sc= 0.0216 K(o=0.022,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 17.654 11.567 -17.187 1.00 0.00 N ATOM 2 CA ALA A 1 18.145 10.311 -17.819 1.00 0.00 C ATOM 3 C ALA A 1 19.051 9.566 -16.835 1.00 0.00 C ATOM 4 O ALA A 1 19.137 9.910 -15.673 1.00 0.00 O ATOM 5 CB ALA A 1 18.936 10.650 -19.084 1.00 0.00 C ATOM 0 H1 ALA A 1 16.614 11.573 -17.188 1.00 0.00 H new ATOM 0 H2 ALA A 1 17.999 11.621 -16.208 1.00 0.00 H new ATOM 0 H3 ALA A 1 18.005 12.386 -17.723 1.00 0.00 H new ATOM 0 HA ALA A 1 17.295 9.680 -18.081 1.00 0.00 H new ATOM 0 HB1 ALA A 1 19.295 9.730 -19.546 1.00 0.00 H new ATOM 0 HB2 ALA A 1 18.292 11.181 -19.785 1.00 0.00 H new ATOM 0 HB3 ALA A 1 19.786 11.281 -18.824 1.00 0.00 H new ATOM 13 N GLN A 2 19.729 8.550 -17.294 1.00 0.00 N ATOM 14 CA GLN A 2 20.631 7.785 -16.387 1.00 0.00 C ATOM 15 C GLN A 2 19.820 7.191 -15.233 1.00 0.00 C ATOM 16 O GLN A 2 19.341 6.078 -15.307 1.00 0.00 O ATOM 17 CB GLN A 2 21.703 8.722 -15.825 1.00 0.00 C ATOM 18 CG GLN A 2 22.810 8.909 -16.863 1.00 0.00 C ATOM 19 CD GLN A 2 23.132 10.399 -17.001 1.00 0.00 C ATOM 20 OE1 GLN A 2 22.248 11.206 -17.210 1.00 0.00 O ATOM 21 NE2 GLN A 2 24.369 10.798 -16.894 1.00 0.00 N ATOM 0 H GLN A 2 19.697 8.217 -18.257 1.00 0.00 H new ATOM 0 HA GLN A 2 21.106 6.980 -16.947 1.00 0.00 H new ATOM 0 HB2 GLN A 2 21.262 9.686 -15.570 1.00 0.00 H new ATOM 0 HB3 GLN A 2 22.118 8.308 -14.906 1.00 0.00 H new ATOM 0 HG2 GLN A 2 23.702 8.359 -16.562 1.00 0.00 H new ATOM 0 HG3 GLN A 2 22.494 8.503 -17.824 1.00 0.00 H new ATOM 0 HE21 GLN A 2 25.110 10.120 -16.719 1.00 0.00 H new ATOM 0 HE22 GLN A 2 24.595 11.788 -16.986 1.00 0.00 H new ATOM 30 N GLU A 3 19.667 7.925 -14.165 1.00 0.00 N ATOM 31 CA GLU A 3 18.891 7.400 -13.006 1.00 0.00 C ATOM 32 C GLU A 3 17.543 6.861 -13.494 1.00 0.00 C ATOM 33 O GLU A 3 16.946 7.419 -14.395 1.00 0.00 O ATOM 34 CB GLU A 3 18.652 8.528 -12.000 1.00 0.00 C ATOM 35 CG GLU A 3 19.565 8.335 -10.787 1.00 0.00 C ATOM 36 CD GLU A 3 21.016 8.596 -11.194 1.00 0.00 C ATOM 37 OE1 GLU A 3 21.235 8.954 -12.339 1.00 0.00 O ATOM 38 OE2 GLU A 3 21.883 8.432 -10.352 1.00 0.00 O ATOM 0 H GLU A 3 20.045 8.865 -14.045 1.00 0.00 H new ATOM 0 HA GLU A 3 19.452 6.597 -12.528 1.00 0.00 H new ATOM 0 HB2 GLU A 3 18.849 9.493 -12.467 1.00 0.00 H new ATOM 0 HB3 GLU A 3 17.608 8.533 -11.685 1.00 0.00 H new ATOM 0 HG2 GLU A 3 19.273 9.015 -9.987 1.00 0.00 H new ATOM 0 HG3 GLU A 3 19.462 7.322 -10.398 1.00 0.00 H new ATOM 45 N PRO A 4 17.099 5.793 -12.881 1.00 0.00 N ATOM 46 CA PRO A 4 15.817 5.156 -13.227 1.00 0.00 C ATOM 47 C PRO A 4 14.658 5.946 -12.618 1.00 0.00 C ATOM 48 O PRO A 4 13.812 6.468 -13.318 1.00 0.00 O ATOM 49 CB PRO A 4 15.923 3.766 -12.595 1.00 0.00 C ATOM 50 CG PRO A 4 16.977 3.879 -11.468 1.00 0.00 C ATOM 51 CD PRO A 4 17.831 5.121 -11.788 1.00 0.00 C ATOM 0 HA PRO A 4 15.631 5.114 -14.300 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.960 3.446 -12.196 1.00 0.00 H new ATOM 0 HB3 PRO A 4 16.224 3.024 -13.335 1.00 0.00 H new ATOM 0 HG2 PRO A 4 16.495 3.980 -10.495 1.00 0.00 H new ATOM 0 HG3 PRO A 4 17.596 2.983 -11.425 1.00 0.00 H new ATOM 0 HD2 PRO A 4 17.931 5.770 -10.918 1.00 0.00 H new ATOM 0 HD3 PRO A 4 18.839 4.843 -12.096 1.00 0.00 H new ATOM 59 N VAL A 5 14.622 6.035 -11.319 1.00 0.00 N ATOM 60 CA VAL A 5 13.529 6.791 -10.641 1.00 0.00 C ATOM 61 C VAL A 5 12.196 6.519 -11.343 1.00 0.00 C ATOM 62 O VAL A 5 11.383 7.405 -11.517 1.00 0.00 O ATOM 63 CB VAL A 5 13.838 8.287 -10.692 1.00 0.00 C ATOM 64 CG1 VAL A 5 13.870 8.756 -12.148 1.00 0.00 C ATOM 65 CG2 VAL A 5 12.750 9.055 -9.937 1.00 0.00 C ATOM 0 H VAL A 5 15.307 5.614 -10.692 1.00 0.00 H new ATOM 0 HA VAL A 5 13.459 6.468 -9.602 1.00 0.00 H new ATOM 0 HB VAL A 5 14.808 8.472 -10.230 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.090 9.823 -12.182 1.00 0.00 H new ATOM 0 HG12 VAL A 5 14.641 8.209 -12.690 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.901 8.571 -12.611 1.00 0.00 H new ATOM 0 HG21 VAL A 5 12.968 10.122 -9.972 1.00 0.00 H new ATOM 0 HG22 VAL A 5 11.782 8.867 -10.402 1.00 0.00 H new ATOM 0 HG23 VAL A 5 12.724 8.723 -8.899 1.00 0.00 H new ATOM 75 N LYS A 6 11.964 5.299 -11.746 1.00 0.00 N ATOM 76 CA LYS A 6 10.682 4.973 -12.433 1.00 0.00 C ATOM 77 C LYS A 6 9.658 4.503 -11.398 1.00 0.00 C ATOM 78 O LYS A 6 9.804 3.459 -10.796 1.00 0.00 O ATOM 79 CB LYS A 6 10.922 3.860 -13.456 1.00 0.00 C ATOM 80 CG LYS A 6 10.169 4.181 -14.749 1.00 0.00 C ATOM 81 CD LYS A 6 9.497 2.913 -15.279 1.00 0.00 C ATOM 82 CE LYS A 6 8.648 3.261 -16.503 1.00 0.00 C ATOM 83 NZ LYS A 6 7.795 4.441 -16.192 1.00 0.00 N ATOM 0 H LYS A 6 12.606 4.515 -11.629 1.00 0.00 H new ATOM 0 HA LYS A 6 10.304 5.859 -12.943 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.988 3.762 -13.659 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.585 2.904 -13.055 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.420 4.951 -14.564 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.858 4.578 -15.494 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.251 2.172 -15.545 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.873 2.468 -14.504 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.291 3.478 -17.356 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.025 2.411 -16.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.970 4.450 -16.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.473 4.386 -15.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.345 5.313 -16.329 1.00 0.00 H new ATOM 97 N GLY A 7 8.621 5.266 -11.184 1.00 0.00 N ATOM 98 CA GLY A 7 7.594 4.859 -10.183 1.00 0.00 C ATOM 99 C GLY A 7 6.195 4.994 -10.792 1.00 0.00 C ATOM 100 O GLY A 7 5.437 5.864 -10.410 1.00 0.00 O ATOM 0 H GLY A 7 8.441 6.151 -11.657 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.766 3.829 -9.869 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.675 5.481 -9.292 1.00 0.00 H new ATOM 104 N PRO A 8 5.895 4.123 -11.721 1.00 0.00 N ATOM 105 CA PRO A 8 4.590 4.110 -12.405 1.00 0.00 C ATOM 106 C PRO A 8 3.524 3.473 -11.507 1.00 0.00 C ATOM 107 O PRO A 8 3.671 3.414 -10.303 1.00 0.00 O ATOM 108 CB PRO A 8 4.847 3.252 -13.648 1.00 0.00 C ATOM 109 CG PRO A 8 6.079 2.372 -13.324 1.00 0.00 C ATOM 110 CD PRO A 8 6.829 3.070 -12.175 1.00 0.00 C ATOM 0 HA PRO A 8 4.221 5.106 -12.651 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.979 2.635 -13.880 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.035 3.878 -14.520 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.772 1.368 -13.032 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.721 2.267 -14.199 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.065 2.373 -11.371 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.773 3.495 -12.515 1.00 0.00 H new ATOM 118 N VAL A 9 2.452 2.997 -12.081 1.00 0.00 N ATOM 119 CA VAL A 9 1.384 2.368 -11.261 1.00 0.00 C ATOM 120 C VAL A 9 2.005 1.350 -10.302 1.00 0.00 C ATOM 121 O VAL A 9 1.433 1.010 -9.286 1.00 0.00 O ATOM 122 CB VAL A 9 0.397 1.660 -12.188 1.00 0.00 C ATOM 123 CG1 VAL A 9 -0.325 2.694 -13.056 1.00 0.00 C ATOM 124 CG2 VAL A 9 1.157 0.684 -13.092 1.00 0.00 C ATOM 0 H VAL A 9 2.272 3.018 -13.085 1.00 0.00 H new ATOM 0 HA VAL A 9 0.865 3.133 -10.684 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.332 1.114 -11.589 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.028 2.187 -13.716 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.866 3.392 -12.417 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.405 3.240 -13.654 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.454 0.178 -13.754 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.886 1.233 -13.688 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.673 -0.054 -12.478 1.00 0.00 H new ATOM 134 N SER A 10 3.170 0.857 -10.621 1.00 0.00 N ATOM 135 CA SER A 10 3.829 -0.142 -9.733 1.00 0.00 C ATOM 136 C SER A 10 4.221 0.519 -8.410 1.00 0.00 C ATOM 137 O SER A 10 5.084 1.372 -8.361 1.00 0.00 O ATOM 138 CB SER A 10 5.081 -0.684 -10.422 1.00 0.00 C ATOM 139 OG SER A 10 4.858 -0.743 -11.825 1.00 0.00 O ATOM 0 H SER A 10 3.695 1.103 -11.460 1.00 0.00 H new ATOM 0 HA SER A 10 3.136 -0.960 -9.534 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.936 -0.043 -10.205 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.321 -1.676 -10.038 1.00 0.00 H new ATOM 0 HG SER A 10 5.660 -1.089 -12.269 1.00 0.00 H new ATOM 145 N THR A 11 3.598 0.125 -7.332 1.00 0.00 N ATOM 146 CA THR A 11 3.937 0.724 -6.009 1.00 0.00 C ATOM 147 C THR A 11 5.076 -0.081 -5.375 1.00 0.00 C ATOM 148 O THR A 11 4.922 -0.671 -4.324 1.00 0.00 O ATOM 149 CB THR A 11 2.707 0.673 -5.101 1.00 0.00 C ATOM 150 OG1 THR A 11 1.736 1.600 -5.569 1.00 0.00 O ATOM 151 CG2 THR A 11 3.108 1.031 -3.669 1.00 0.00 C ATOM 0 H THR A 11 2.868 -0.587 -7.311 1.00 0.00 H new ATOM 0 HA THR A 11 4.248 1.761 -6.139 1.00 0.00 H new ATOM 0 HB THR A 11 2.288 -0.333 -5.116 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.239 1.966 -4.808 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.229 0.994 -3.025 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.851 0.319 -3.310 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.530 2.036 -3.650 1.00 0.00 H new ATOM 159 N LYS A 12 6.208 -0.134 -6.022 1.00 0.00 N ATOM 160 CA LYS A 12 7.346 -0.927 -5.472 1.00 0.00 C ATOM 161 C LYS A 12 8.318 -0.045 -4.669 1.00 0.00 C ATOM 162 O LYS A 12 8.695 -0.406 -3.573 1.00 0.00 O ATOM 163 CB LYS A 12 8.106 -1.603 -6.620 1.00 0.00 C ATOM 164 CG LYS A 12 7.166 -1.824 -7.808 1.00 0.00 C ATOM 165 CD LYS A 12 7.861 -2.700 -8.852 1.00 0.00 C ATOM 166 CE LYS A 12 6.810 -3.443 -9.679 1.00 0.00 C ATOM 167 NZ LYS A 12 7.289 -4.825 -9.961 1.00 0.00 N ATOM 0 H LYS A 12 6.395 0.337 -6.907 1.00 0.00 H new ATOM 0 HA LYS A 12 6.934 -1.678 -4.799 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.950 -0.984 -6.923 1.00 0.00 H new ATOM 0 HB3 LYS A 12 8.514 -2.557 -6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.245 -2.301 -7.473 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.888 -0.867 -8.248 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.482 -2.085 -9.503 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.523 -3.413 -8.361 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.864 -3.477 -9.139 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.625 -2.913 -10.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.576 -5.332 -10.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.182 -4.781 -10.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.444 -5.328 -9.064 1.00 0.00 H new ATOM 181 N PRO A 13 8.726 1.066 -5.237 1.00 0.00 N ATOM 182 CA PRO A 13 9.685 1.973 -4.580 1.00 0.00 C ATOM 183 C PRO A 13 8.983 2.836 -3.516 1.00 0.00 C ATOM 184 O PRO A 13 8.665 2.351 -2.449 1.00 0.00 O ATOM 185 CB PRO A 13 10.233 2.810 -5.743 1.00 0.00 C ATOM 186 CG PRO A 13 9.168 2.748 -6.865 1.00 0.00 C ATOM 187 CD PRO A 13 8.277 1.525 -6.568 1.00 0.00 C ATOM 0 HA PRO A 13 10.476 1.454 -4.039 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.410 3.839 -5.431 1.00 0.00 H new ATOM 0 HB3 PRO A 13 11.187 2.414 -6.091 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.575 3.662 -6.886 1.00 0.00 H new ATOM 0 HG3 PRO A 13 9.641 2.653 -7.842 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.221 1.794 -6.561 1.00 0.00 H new ATOM 0 HD3 PRO A 13 8.403 0.747 -7.321 1.00 0.00 H new ATOM 195 N GLY A 14 8.741 4.102 -3.792 1.00 0.00 N ATOM 196 CA GLY A 14 8.066 4.993 -2.793 1.00 0.00 C ATOM 197 C GLY A 14 8.449 4.584 -1.370 1.00 0.00 C ATOM 198 O GLY A 14 9.573 4.208 -1.103 1.00 0.00 O ATOM 0 H GLY A 14 8.985 4.555 -4.673 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.352 6.030 -2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.985 4.935 -2.916 1.00 0.00 H new ATOM 202 N SER A 15 7.522 4.650 -0.452 1.00 0.00 N ATOM 203 CA SER A 15 7.843 4.258 0.950 1.00 0.00 C ATOM 204 C SER A 15 6.643 3.545 1.583 1.00 0.00 C ATOM 205 O SER A 15 6.017 4.057 2.489 1.00 0.00 O ATOM 206 CB SER A 15 8.177 5.509 1.762 1.00 0.00 C ATOM 207 OG SER A 15 8.518 5.130 3.089 1.00 0.00 O ATOM 0 H SER A 15 6.562 4.956 -0.611 1.00 0.00 H new ATOM 0 HA SER A 15 8.698 3.582 0.946 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.006 6.046 1.300 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.324 6.188 1.773 1.00 0.00 H new ATOM 0 HG SER A 15 8.734 5.930 3.612 1.00 0.00 H new ATOM 213 N CYS A 16 6.322 2.363 1.125 1.00 0.00 N ATOM 214 CA CYS A 16 5.175 1.623 1.716 1.00 0.00 C ATOM 215 C CYS A 16 5.497 1.295 3.178 1.00 0.00 C ATOM 216 O CYS A 16 6.651 1.210 3.550 1.00 0.00 O ATOM 217 CB CYS A 16 4.956 0.320 0.945 1.00 0.00 C ATOM 218 SG CYS A 16 4.385 0.675 -0.739 1.00 0.00 S ATOM 0 H CYS A 16 6.806 1.881 0.368 1.00 0.00 H new ATOM 0 HA CYS A 16 4.274 2.234 1.659 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.884 -0.250 0.909 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.222 -0.298 1.463 1.00 0.00 H new ATOM 223 N PRO A 17 4.467 1.118 3.965 1.00 0.00 N ATOM 224 CA PRO A 17 4.611 0.794 5.395 1.00 0.00 C ATOM 225 C PRO A 17 4.953 -0.686 5.574 1.00 0.00 C ATOM 226 O PRO A 17 5.128 -1.413 4.617 1.00 0.00 O ATOM 227 CB PRO A 17 3.228 1.102 5.973 1.00 0.00 C ATOM 228 CG PRO A 17 2.237 1.029 4.788 1.00 0.00 C ATOM 229 CD PRO A 17 3.068 1.223 3.505 1.00 0.00 C ATOM 0 HA PRO A 17 5.409 1.354 5.883 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.961 0.383 6.748 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.210 2.089 6.434 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.721 0.069 4.774 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.472 1.801 4.875 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.835 0.462 2.760 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.871 2.191 3.045 1.00 0.00 H new ATOM 237 N ILE A 18 5.044 -1.140 6.794 1.00 0.00 N ATOM 238 CA ILE A 18 5.368 -2.571 7.034 1.00 0.00 C ATOM 239 C ILE A 18 4.113 -3.290 7.542 1.00 0.00 C ATOM 240 O ILE A 18 3.626 -3.024 8.622 1.00 0.00 O ATOM 241 CB ILE A 18 6.497 -2.670 8.066 1.00 0.00 C ATOM 242 CG1 ILE A 18 6.983 -4.126 8.159 1.00 0.00 C ATOM 243 CG2 ILE A 18 6.006 -2.178 9.433 1.00 0.00 C ATOM 244 CD1 ILE A 18 6.107 -4.925 9.127 1.00 0.00 C ATOM 0 H ILE A 18 4.907 -0.579 7.635 1.00 0.00 H new ATOM 0 HA ILE A 18 5.698 -3.042 6.108 1.00 0.00 H new ATOM 0 HB ILE A 18 7.329 -2.039 7.753 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.958 -4.587 7.172 1.00 0.00 H new ATOM 0 HG13 ILE A 18 8.020 -4.148 8.495 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.816 -2.253 10.159 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.686 -1.139 9.352 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.167 -2.792 9.761 1.00 0.00 H new ATOM 0 HD11 ILE A 18 6.466 -5.953 9.179 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.154 -4.473 10.118 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.076 -4.919 8.774 1.00 0.00 H new ATOM 256 N ILE A 19 3.582 -4.190 6.761 1.00 0.00 N ATOM 257 CA ILE A 19 2.355 -4.920 7.190 1.00 0.00 C ATOM 258 C ILE A 19 2.762 -6.190 7.940 1.00 0.00 C ATOM 259 O ILE A 19 3.901 -6.355 8.323 1.00 0.00 O ATOM 260 CB ILE A 19 1.518 -5.282 5.956 1.00 0.00 C ATOM 261 CG1 ILE A 19 1.675 -4.194 4.896 1.00 0.00 C ATOM 262 CG2 ILE A 19 0.042 -5.370 6.343 1.00 0.00 C ATOM 263 CD1 ILE A 19 1.256 -2.859 5.500 1.00 0.00 C ATOM 0 H ILE A 19 3.944 -4.452 5.844 1.00 0.00 H new ATOM 0 HA ILE A 19 1.759 -4.289 7.849 1.00 0.00 H new ATOM 0 HB ILE A 19 1.860 -6.240 5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.709 -4.146 4.554 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.061 -4.424 4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.550 -5.627 5.465 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.089 -6.137 7.106 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.289 -4.408 6.735 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.363 -2.072 4.753 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.216 -2.915 5.821 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.889 -2.633 6.358 1.00 0.00 H new ATOM 275 N LEU A 20 1.846 -7.091 8.153 1.00 0.00 N ATOM 276 CA LEU A 20 2.199 -8.347 8.879 1.00 0.00 C ATOM 277 C LEU A 20 1.984 -9.549 7.957 1.00 0.00 C ATOM 278 O LEU A 20 2.872 -10.350 7.742 1.00 0.00 O ATOM 279 CB LEU A 20 1.340 -8.490 10.153 1.00 0.00 C ATOM 280 CG LEU A 20 -0.161 -8.405 9.827 1.00 0.00 C ATOM 281 CD1 LEU A 20 -0.715 -9.806 9.559 1.00 0.00 C ATOM 282 CD2 LEU A 20 -0.906 -7.799 11.016 1.00 0.00 C ATOM 0 H LEU A 20 0.872 -7.016 7.859 1.00 0.00 H new ATOM 0 HA LEU A 20 3.247 -8.305 9.175 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.556 -9.443 10.635 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.605 -7.707 10.863 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.298 -7.782 8.943 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.778 -9.739 9.329 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.188 -10.250 8.714 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.574 -10.428 10.443 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.970 -7.738 10.786 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.760 -8.427 11.895 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.520 -6.799 11.216 1.00 0.00 H new ATOM 294 N ILE A 21 0.815 -9.669 7.402 1.00 0.00 N ATOM 295 CA ILE A 21 0.521 -10.794 6.481 1.00 0.00 C ATOM 296 C ILE A 21 -0.734 -10.417 5.694 1.00 0.00 C ATOM 297 O ILE A 21 -1.320 -9.378 5.921 1.00 0.00 O ATOM 298 CB ILE A 21 0.318 -12.092 7.300 1.00 0.00 C ATOM 299 CG1 ILE A 21 1.332 -13.140 6.834 1.00 0.00 C ATOM 300 CG2 ILE A 21 -1.099 -12.656 7.126 1.00 0.00 C ATOM 301 CD1 ILE A 21 2.597 -13.041 7.687 1.00 0.00 C ATOM 0 H ILE A 21 0.039 -9.024 7.551 1.00 0.00 H new ATOM 0 HA ILE A 21 1.343 -10.976 5.789 1.00 0.00 H new ATOM 0 HB ILE A 21 0.462 -11.854 8.354 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.903 -14.138 6.916 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.576 -12.983 5.783 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.203 -13.567 7.716 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.828 -11.919 7.464 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.274 -12.883 6.074 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.319 -13.787 7.355 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.029 -12.046 7.582 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.346 -13.219 8.733 1.00 0.00 H new ATOM 313 N ARG A 22 -1.166 -11.240 4.788 1.00 0.00 N ATOM 314 CA ARG A 22 -2.395 -10.892 4.029 1.00 0.00 C ATOM 315 C ARG A 22 -3.598 -11.556 4.706 1.00 0.00 C ATOM 316 O ARG A 22 -3.887 -12.710 4.466 1.00 0.00 O ATOM 317 CB ARG A 22 -2.266 -11.369 2.586 1.00 0.00 C ATOM 318 CG ARG A 22 -2.082 -10.162 1.661 1.00 0.00 C ATOM 319 CD ARG A 22 -0.761 -10.297 0.899 1.00 0.00 C ATOM 320 NE ARG A 22 -0.864 -11.417 -0.079 1.00 0.00 N ATOM 321 CZ ARG A 22 -0.310 -11.309 -1.255 1.00 0.00 C ATOM 322 NH1 ARG A 22 -0.493 -10.230 -1.966 1.00 0.00 N ATOM 323 NH2 ARG A 22 0.429 -12.279 -1.722 1.00 0.00 N ATOM 0 H ARG A 22 -0.729 -12.128 4.541 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.534 -9.811 4.022 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.417 -12.046 2.491 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.155 -11.930 2.297 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.914 -10.098 0.959 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.085 -9.241 2.243 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.532 -9.367 0.380 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.056 -10.483 1.596 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.368 -12.268 0.171 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.069 -9.471 -1.602 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.060 -10.146 -2.886 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.574 -13.123 -1.167 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.862 -12.193 -2.642 1.00 0.00 H new ATOM 337 N CYS A 23 -4.262 -10.821 5.573 1.00 0.00 N ATOM 338 CA CYS A 23 -5.445 -11.342 6.340 1.00 0.00 C ATOM 339 C CYS A 23 -5.973 -12.686 5.800 1.00 0.00 C ATOM 340 O CYS A 23 -6.089 -13.635 6.549 1.00 0.00 O ATOM 341 CB CYS A 23 -6.552 -10.271 6.366 1.00 0.00 C ATOM 342 SG CYS A 23 -7.686 -10.420 4.961 1.00 0.00 S ATOM 0 H CYS A 23 -4.025 -9.852 5.786 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.114 -11.547 7.358 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -7.115 -10.356 7.295 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.097 -9.281 6.359 1.00 0.00 H new ATOM 347 N ALA A 24 -6.273 -12.796 4.523 1.00 0.00 N ATOM 348 CA ALA A 24 -6.782 -14.093 3.978 1.00 0.00 C ATOM 349 C ALA A 24 -8.277 -14.270 4.308 1.00 0.00 C ATOM 350 O ALA A 24 -9.058 -14.656 3.463 1.00 0.00 O ATOM 351 CB ALA A 24 -5.986 -15.251 4.585 1.00 0.00 C ATOM 0 H ALA A 24 -6.186 -12.044 3.840 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.660 -14.088 2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.357 -16.196 4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.932 -15.140 4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.101 -15.243 5.669 1.00 0.00 H new ATOM 357 N MET A 25 -8.668 -14.006 5.532 1.00 0.00 N ATOM 358 CA MET A 25 -10.093 -14.162 5.948 1.00 0.00 C ATOM 359 C MET A 25 -11.057 -13.853 4.794 1.00 0.00 C ATOM 360 O MET A 25 -11.450 -14.732 4.053 1.00 0.00 O ATOM 361 CB MET A 25 -10.364 -13.204 7.108 1.00 0.00 C ATOM 362 CG MET A 25 -10.039 -13.899 8.431 1.00 0.00 C ATOM 363 SD MET A 25 -11.572 -14.468 9.207 1.00 0.00 S ATOM 364 CE MET A 25 -12.176 -12.844 9.728 1.00 0.00 C ATOM 0 H MET A 25 -8.045 -13.683 6.272 1.00 0.00 H new ATOM 0 HA MET A 25 -10.259 -15.196 6.249 1.00 0.00 H new ATOM 0 HB2 MET A 25 -9.758 -12.304 6.999 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.407 -12.889 7.097 1.00 0.00 H new ATOM 0 HG2 MET A 25 -9.372 -14.743 8.256 1.00 0.00 H new ATOM 0 HG3 MET A 25 -9.516 -13.212 9.096 1.00 0.00 H new ATOM 0 HE1 MET A 25 -12.667 -12.932 10.697 1.00 0.00 H new ATOM 0 HE2 MET A 25 -11.337 -12.152 9.808 1.00 0.00 H new ATOM 0 HE3 MET A 25 -12.888 -12.468 8.993 1.00 0.00 H new ATOM 374 N LEU A 26 -11.463 -12.619 4.651 1.00 0.00 N ATOM 375 CA LEU A 26 -12.427 -12.272 3.564 1.00 0.00 C ATOM 376 C LEU A 26 -11.687 -11.994 2.255 1.00 0.00 C ATOM 377 O LEU A 26 -10.480 -12.103 2.171 1.00 0.00 O ATOM 378 CB LEU A 26 -13.227 -11.029 3.972 1.00 0.00 C ATOM 379 CG LEU A 26 -14.722 -11.362 4.023 1.00 0.00 C ATOM 380 CD1 LEU A 26 -15.237 -11.189 5.454 1.00 0.00 C ATOM 381 CD2 LEU A 26 -15.485 -10.416 3.092 1.00 0.00 C ATOM 0 H LEU A 26 -11.170 -11.838 5.238 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.101 -13.115 3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.892 -10.674 4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.050 -10.222 3.261 1.00 0.00 H new ATOM 0 HG LEU A 26 -14.875 -12.393 3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -16.300 -11.426 5.489 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -14.694 -11.859 6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -15.084 -10.158 5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -16.549 -10.651 3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -15.330 -9.386 3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -15.120 -10.536 2.072 1.00 0.00 H new ATOM 393 N ASN A 27 -12.413 -11.644 1.226 1.00 0.00 N ATOM 394 CA ASN A 27 -11.770 -11.364 -0.088 1.00 0.00 C ATOM 395 C ASN A 27 -11.934 -9.880 -0.437 1.00 0.00 C ATOM 396 O ASN A 27 -12.860 -9.507 -1.129 1.00 0.00 O ATOM 397 CB ASN A 27 -12.434 -12.216 -1.171 1.00 0.00 C ATOM 398 CG ASN A 27 -12.518 -13.669 -0.699 1.00 0.00 C ATOM 399 OD1 ASN A 27 -11.716 -14.494 -1.091 1.00 0.00 O ATOM 400 ND2 ASN A 27 -13.462 -14.018 0.131 1.00 0.00 N ATOM 0 H ASN A 27 -13.428 -11.540 1.241 1.00 0.00 H new ATOM 0 HA ASN A 27 -10.709 -11.607 -0.030 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -13.432 -11.835 -1.387 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -11.862 -12.156 -2.097 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -13.528 -14.984 0.452 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -14.134 -13.325 0.459 1.00 0.00 H new ATOM 407 N PRO A 28 -11.022 -9.079 0.053 1.00 0.00 N ATOM 408 CA PRO A 28 -11.026 -7.623 -0.191 1.00 0.00 C ATOM 409 C PRO A 28 -10.532 -7.320 -1.613 1.00 0.00 C ATOM 410 O PRO A 28 -9.583 -7.923 -2.073 1.00 0.00 O ATOM 411 CB PRO A 28 -10.041 -7.086 0.853 1.00 0.00 C ATOM 412 CG PRO A 28 -9.125 -8.272 1.233 1.00 0.00 C ATOM 413 CD PRO A 28 -9.905 -9.554 0.893 1.00 0.00 C ATOM 0 HA PRO A 28 -12.016 -7.174 -0.110 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.458 -6.258 0.449 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.569 -6.707 1.728 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.187 -8.230 0.679 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.871 -8.242 2.293 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.281 -10.271 0.360 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.266 -10.052 1.793 1.00 0.00 H new ATOM 421 N PRO A 29 -11.191 -6.396 -2.269 1.00 0.00 N ATOM 422 CA PRO A 29 -10.836 -6.001 -3.642 1.00 0.00 C ATOM 423 C PRO A 29 -9.632 -5.044 -3.629 1.00 0.00 C ATOM 424 O PRO A 29 -8.505 -5.464 -3.458 1.00 0.00 O ATOM 425 CB PRO A 29 -12.105 -5.310 -4.153 1.00 0.00 C ATOM 426 CG PRO A 29 -12.878 -4.837 -2.897 1.00 0.00 C ATOM 427 CD PRO A 29 -12.347 -5.667 -1.711 1.00 0.00 C ATOM 0 HA PRO A 29 -10.538 -6.838 -4.274 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.856 -4.466 -4.797 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.709 -5.996 -4.746 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -12.722 -3.772 -2.725 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -13.950 -4.985 -3.024 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -12.051 -5.028 -0.879 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.106 -6.352 -1.333 1.00 0.00 H new ATOM 435 N ASN A 30 -9.851 -3.764 -3.805 1.00 0.00 N ATOM 436 CA ASN A 30 -8.708 -2.813 -3.795 1.00 0.00 C ATOM 437 C ASN A 30 -9.226 -1.391 -3.559 1.00 0.00 C ATOM 438 O ASN A 30 -10.361 -1.076 -3.863 1.00 0.00 O ATOM 439 CB ASN A 30 -7.978 -2.874 -5.138 1.00 0.00 C ATOM 440 CG ASN A 30 -6.961 -4.016 -5.116 1.00 0.00 C ATOM 441 OD1 ASN A 30 -5.896 -3.888 -4.547 1.00 0.00 O ATOM 442 ND2 ASN A 30 -7.248 -5.139 -5.717 1.00 0.00 N ATOM 0 H ASN A 30 -10.768 -3.343 -3.954 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.019 -3.085 -2.996 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.694 -3.026 -5.946 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.474 -1.928 -5.333 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -6.578 -5.908 -5.708 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.142 -5.247 -6.195 1.00 0.00 H new ATOM 449 N ARG A 31 -8.403 -0.527 -3.030 1.00 0.00 N ATOM 450 CA ARG A 31 -8.848 0.875 -2.788 1.00 0.00 C ATOM 451 C ARG A 31 -8.234 1.782 -3.856 1.00 0.00 C ATOM 452 O ARG A 31 -8.825 2.755 -4.281 1.00 0.00 O ATOM 453 CB ARG A 31 -8.380 1.324 -1.405 1.00 0.00 C ATOM 454 CG ARG A 31 -9.336 0.781 -0.343 1.00 0.00 C ATOM 455 CD ARG A 31 -9.015 -0.689 -0.069 1.00 0.00 C ATOM 456 NE ARG A 31 -9.163 -0.966 1.387 1.00 0.00 N ATOM 457 CZ ARG A 31 -10.350 -0.989 1.932 1.00 0.00 C ATOM 458 NH1 ARG A 31 -11.416 -0.935 1.181 1.00 0.00 N ATOM 459 NH2 ARG A 31 -10.471 -1.067 3.230 1.00 0.00 N ATOM 0 H ARG A 31 -7.442 -0.731 -2.755 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.935 0.933 -2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.368 0.964 -1.217 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.346 2.412 -1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.244 1.361 0.575 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.367 0.882 -0.681 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.684 -1.331 -0.642 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.999 -0.917 -0.392 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.336 -1.138 1.959 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.323 -0.875 0.167 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.342 -0.953 1.608 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.639 -1.110 3.818 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.398 -1.085 3.656 1.00 0.00 H new ATOM 473 N CYS A 32 -7.056 1.451 -4.304 1.00 0.00 N ATOM 474 CA CYS A 32 -6.389 2.262 -5.359 1.00 0.00 C ATOM 475 C CYS A 32 -5.224 1.456 -5.910 1.00 0.00 C ATOM 476 O CYS A 32 -4.729 0.545 -5.280 1.00 0.00 O ATOM 477 CB CYS A 32 -5.891 3.597 -4.791 1.00 0.00 C ATOM 478 SG CYS A 32 -5.428 3.409 -3.053 1.00 0.00 S ATOM 0 H CYS A 32 -6.521 0.645 -3.981 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.101 2.489 -6.153 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.034 3.947 -5.366 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.670 4.353 -4.887 1.00 0.00 H new ATOM 483 N LEU A 33 -4.811 1.739 -7.105 1.00 0.00 N ATOM 484 CA LEU A 33 -3.706 0.938 -7.688 1.00 0.00 C ATOM 485 C LEU A 33 -2.863 1.782 -8.651 1.00 0.00 C ATOM 486 O LEU A 33 -2.029 1.267 -9.370 1.00 0.00 O ATOM 487 CB LEU A 33 -4.288 -0.275 -8.427 1.00 0.00 C ATOM 488 CG LEU A 33 -5.761 -0.047 -8.815 1.00 0.00 C ATOM 489 CD1 LEU A 33 -6.661 -0.122 -7.583 1.00 0.00 C ATOM 490 CD2 LEU A 33 -5.924 1.313 -9.498 1.00 0.00 C ATOM 0 H LEU A 33 -5.183 2.480 -7.699 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.058 0.599 -6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.701 -0.472 -9.324 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.210 -1.159 -7.795 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.057 -0.832 -9.510 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.697 0.042 -7.879 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.566 -1.105 -7.122 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.363 0.644 -6.867 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.970 1.462 -9.767 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.609 2.103 -8.816 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.310 1.344 -10.398 1.00 0.00 H new ATOM 502 N LYS A 34 -3.055 3.071 -8.664 1.00 0.00 N ATOM 503 CA LYS A 34 -2.245 3.932 -9.570 1.00 0.00 C ATOM 504 C LYS A 34 -2.621 5.401 -9.358 1.00 0.00 C ATOM 505 O LYS A 34 -1.767 6.258 -9.246 1.00 0.00 O ATOM 506 CB LYS A 34 -2.501 3.538 -11.029 1.00 0.00 C ATOM 507 CG LYS A 34 -3.998 3.618 -11.336 1.00 0.00 C ATOM 508 CD LYS A 34 -4.357 2.572 -12.392 1.00 0.00 C ATOM 509 CE LYS A 34 -5.276 3.199 -13.441 1.00 0.00 C ATOM 510 NZ LYS A 34 -5.184 2.422 -14.710 1.00 0.00 N ATOM 0 H LYS A 34 -3.736 3.565 -8.088 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.188 3.795 -9.343 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.948 4.200 -11.696 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.137 2.527 -11.211 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.576 3.447 -10.428 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.254 4.615 -11.694 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.452 2.193 -12.866 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.851 1.721 -11.923 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.305 3.207 -13.081 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.991 4.237 -13.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.809 2.848 -15.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.203 2.436 -15.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.476 1.439 -14.537 1.00 0.00 H new ATOM 524 N ASP A 35 -3.890 5.701 -9.294 1.00 0.00 N ATOM 525 CA ASP A 35 -4.310 7.116 -9.085 1.00 0.00 C ATOM 526 C ASP A 35 -5.752 7.149 -8.577 1.00 0.00 C ATOM 527 O ASP A 35 -6.682 7.332 -9.336 1.00 0.00 O ATOM 528 CB ASP A 35 -4.218 7.877 -10.410 1.00 0.00 C ATOM 529 CG ASP A 35 -3.122 8.942 -10.322 1.00 0.00 C ATOM 530 OD1 ASP A 35 -2.634 9.175 -9.229 1.00 0.00 O ATOM 531 OD2 ASP A 35 -2.790 9.507 -11.351 1.00 0.00 O ATOM 0 H ASP A 35 -4.653 5.029 -9.377 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.655 7.585 -8.351 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.000 7.185 -11.223 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.175 8.345 -10.638 1.00 0.00 H new ATOM 536 N THR A 36 -5.949 6.974 -7.300 1.00 0.00 N ATOM 537 CA THR A 36 -7.334 6.995 -6.754 1.00 0.00 C ATOM 538 C THR A 36 -7.289 7.287 -5.252 1.00 0.00 C ATOM 539 O THR A 36 -6.645 6.590 -4.493 1.00 0.00 O ATOM 540 CB THR A 36 -7.996 5.636 -6.995 1.00 0.00 C ATOM 541 OG1 THR A 36 -8.037 5.373 -8.391 1.00 0.00 O ATOM 542 CG2 THR A 36 -9.417 5.651 -6.435 1.00 0.00 C ATOM 0 H THR A 36 -5.212 6.818 -6.612 1.00 0.00 H new ATOM 0 HA THR A 36 -7.911 7.773 -7.254 1.00 0.00 H new ATOM 0 HB THR A 36 -7.420 4.857 -6.494 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.901 6.208 -8.885 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.886 4.683 -6.608 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.384 5.852 -5.364 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.996 6.429 -6.933 1.00 0.00 H new ATOM 550 N ASP A 37 -7.971 8.311 -4.816 1.00 0.00 N ATOM 551 CA ASP A 37 -7.969 8.647 -3.364 1.00 0.00 C ATOM 552 C ASP A 37 -6.532 8.887 -2.895 1.00 0.00 C ATOM 553 O ASP A 37 -5.661 9.218 -3.675 1.00 0.00 O ATOM 554 CB ASP A 37 -8.578 7.489 -2.572 1.00 0.00 C ATOM 555 CG ASP A 37 -9.577 8.037 -1.552 1.00 0.00 C ATOM 556 OD1 ASP A 37 -9.353 9.132 -1.062 1.00 0.00 O ATOM 557 OD2 ASP A 37 -10.549 7.354 -1.276 1.00 0.00 O ATOM 0 H ASP A 37 -8.530 8.930 -5.403 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.558 9.549 -3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.077 6.795 -3.248 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.793 6.930 -2.063 1.00 0.00 H new ATOM 562 N CYS A 38 -6.278 8.721 -1.626 1.00 0.00 N ATOM 563 CA CYS A 38 -4.896 8.938 -1.106 1.00 0.00 C ATOM 564 C CYS A 38 -4.424 10.343 -1.500 1.00 0.00 C ATOM 565 O CYS A 38 -3.488 10.489 -2.259 1.00 0.00 O ATOM 566 CB CYS A 38 -3.927 7.902 -1.699 1.00 0.00 C ATOM 567 SG CYS A 38 -4.828 6.476 -2.369 1.00 0.00 S ATOM 0 H CYS A 38 -6.967 8.445 -0.926 1.00 0.00 H new ATOM 0 HA CYS A 38 -4.909 8.832 -0.021 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.333 8.364 -2.487 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.231 7.568 -0.930 1.00 0.00 H new ATOM 572 N PRO A 39 -5.095 11.336 -0.972 1.00 0.00 N ATOM 573 CA PRO A 39 -4.780 12.749 -1.250 1.00 0.00 C ATOM 574 C PRO A 39 -3.567 13.212 -0.432 1.00 0.00 C ATOM 575 O PRO A 39 -3.522 13.055 0.772 1.00 0.00 O ATOM 576 CB PRO A 39 -6.047 13.488 -0.810 1.00 0.00 C ATOM 577 CG PRO A 39 -6.769 12.561 0.197 1.00 0.00 C ATOM 578 CD PRO A 39 -6.233 11.139 -0.051 1.00 0.00 C ATOM 0 HA PRO A 39 -4.521 12.929 -2.293 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.798 14.443 -0.348 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.687 13.704 -1.666 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.573 12.875 1.222 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.849 12.599 0.053 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -5.916 10.665 0.878 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -6.996 10.497 -0.492 1.00 0.00 H new ATOM 586 N GLY A 40 -2.589 13.791 -1.079 1.00 0.00 N ATOM 587 CA GLY A 40 -1.385 14.276 -0.340 1.00 0.00 C ATOM 588 C GLY A 40 -0.255 13.248 -0.447 1.00 0.00 C ATOM 589 O GLY A 40 -0.199 12.463 -1.372 1.00 0.00 O ATOM 0 H GLY A 40 -2.572 13.949 -2.087 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.058 15.232 -0.749 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.635 14.446 0.707 1.00 0.00 H new ATOM 593 N ILE A 41 0.645 13.252 0.501 1.00 0.00 N ATOM 594 CA ILE A 41 1.780 12.281 0.473 1.00 0.00 C ATOM 595 C ILE A 41 1.240 10.851 0.512 1.00 0.00 C ATOM 596 O ILE A 41 1.962 9.901 0.283 1.00 0.00 O ATOM 597 CB ILE A 41 2.675 12.523 1.691 1.00 0.00 C ATOM 598 CG1 ILE A 41 3.994 11.770 1.511 1.00 0.00 C ATOM 599 CG2 ILE A 41 1.972 12.023 2.956 1.00 0.00 C ATOM 600 CD1 ILE A 41 5.085 12.457 2.333 1.00 0.00 C ATOM 0 H ILE A 41 0.643 13.889 1.298 1.00 0.00 H new ATOM 0 HA ILE A 41 2.356 12.420 -0.442 1.00 0.00 H new ATOM 0 HB ILE A 41 2.873 13.591 1.786 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.881 10.734 1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.274 11.751 0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.612 12.197 3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.032 12.560 3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.770 10.956 2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.027 11.923 2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.203 13.486 1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.804 12.453 3.386 1.00 0.00 H new ATOM 612 N LYS A 42 -0.019 10.687 0.808 1.00 0.00 N ATOM 613 CA LYS A 42 -0.592 9.316 0.869 1.00 0.00 C ATOM 614 C LYS A 42 -0.894 8.805 -0.543 1.00 0.00 C ATOM 615 O LYS A 42 -1.327 9.539 -1.408 1.00 0.00 O ATOM 616 CB LYS A 42 -1.881 9.338 1.688 1.00 0.00 C ATOM 617 CG LYS A 42 -1.540 9.358 3.178 1.00 0.00 C ATOM 618 CD LYS A 42 -2.552 8.505 3.945 1.00 0.00 C ATOM 619 CE LYS A 42 -3.343 9.392 4.907 1.00 0.00 C ATOM 620 NZ LYS A 42 -4.662 9.735 4.301 1.00 0.00 N ATOM 0 H LYS A 42 -0.674 11.442 1.010 1.00 0.00 H new ATOM 0 HA LYS A 42 0.132 8.651 1.340 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.474 10.215 1.428 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.487 8.463 1.455 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.532 8.975 3.336 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.554 10.382 3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.230 8.012 3.248 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.036 7.720 4.498 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.490 8.876 5.856 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.783 10.302 5.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.199 10.338 4.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.511 10.244 3.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.197 8.862 4.117 1.00 0.00 H new ATOM 634 N LYS A 43 -0.680 7.539 -0.759 1.00 0.00 N ATOM 635 CA LYS A 43 -0.950 6.914 -2.085 1.00 0.00 C ATOM 636 C LYS A 43 -1.225 5.436 -1.845 1.00 0.00 C ATOM 637 O LYS A 43 -1.209 4.985 -0.721 1.00 0.00 O ATOM 638 CB LYS A 43 0.267 7.060 -3.000 1.00 0.00 C ATOM 639 CG LYS A 43 0.207 8.401 -3.732 1.00 0.00 C ATOM 640 CD LYS A 43 1.601 8.770 -4.239 1.00 0.00 C ATOM 641 CE LYS A 43 1.519 10.057 -5.061 1.00 0.00 C ATOM 642 NZ LYS A 43 1.483 11.232 -4.143 1.00 0.00 N ATOM 0 H LYS A 43 -0.320 6.894 -0.055 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.800 7.401 -2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.184 6.996 -2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.292 6.243 -3.721 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.491 8.340 -4.567 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.165 9.176 -3.062 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.282 8.905 -3.398 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.004 7.961 -4.849 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.377 10.130 -5.729 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.628 10.044 -5.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.427 12.107 -4.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.651 11.163 -3.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.346 11.246 -3.563 1.00 0.00 H new ATOM 656 N CYS A 44 -1.478 4.668 -2.863 1.00 0.00 N ATOM 657 CA CYS A 44 -1.753 3.228 -2.614 1.00 0.00 C ATOM 658 C CYS A 44 -0.462 2.431 -2.423 1.00 0.00 C ATOM 659 O CYS A 44 0.460 2.501 -3.213 1.00 0.00 O ATOM 660 CB CYS A 44 -2.573 2.628 -3.753 1.00 0.00 C ATOM 661 SG CYS A 44 -4.082 1.908 -3.055 1.00 0.00 S ATOM 0 H CYS A 44 -1.507 4.965 -3.838 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.329 3.165 -1.691 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.823 3.396 -4.485 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.995 1.865 -4.275 1.00 0.00 H new ATOM 666 N CYS A 45 -0.418 1.655 -1.374 1.00 0.00 N ATOM 667 CA CYS A 45 0.767 0.811 -1.083 1.00 0.00 C ATOM 668 C CYS A 45 0.257 -0.584 -0.709 1.00 0.00 C ATOM 669 O CYS A 45 -0.899 -0.899 -0.921 1.00 0.00 O ATOM 670 CB CYS A 45 1.552 1.415 0.079 1.00 0.00 C ATOM 671 SG CYS A 45 3.070 2.194 -0.533 1.00 0.00 S ATOM 0 H CYS A 45 -1.173 1.572 -0.694 1.00 0.00 H new ATOM 0 HA CYS A 45 1.427 0.754 -1.948 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.939 2.152 0.598 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.799 0.639 0.804 1.00 0.00 H new ATOM 676 N GLU A 46 1.090 -1.420 -0.156 1.00 0.00 N ATOM 677 CA GLU A 46 0.619 -2.786 0.211 1.00 0.00 C ATOM 678 C GLU A 46 0.263 -2.841 1.697 1.00 0.00 C ATOM 679 O GLU A 46 0.961 -2.306 2.536 1.00 0.00 O ATOM 680 CB GLU A 46 1.719 -3.802 -0.083 1.00 0.00 C ATOM 681 CG GLU A 46 1.559 -4.330 -1.511 1.00 0.00 C ATOM 682 CD GLU A 46 2.675 -5.332 -1.812 1.00 0.00 C ATOM 683 OE1 GLU A 46 2.483 -6.504 -1.531 1.00 0.00 O ATOM 684 OE2 GLU A 46 3.702 -4.911 -2.318 1.00 0.00 O ATOM 0 H GLU A 46 2.067 -1.221 0.057 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.268 -3.023 -0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.698 -3.338 0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.667 -4.626 0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.586 -4.807 -1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.595 -3.504 -2.222 1.00 0.00 H new ATOM 691 N GLY A 47 -0.816 -3.496 2.026 1.00 0.00 N ATOM 692 CA GLY A 47 -1.222 -3.602 3.455 1.00 0.00 C ATOM 693 C GLY A 47 -1.307 -5.071 3.850 1.00 0.00 C ATOM 694 O GLY A 47 -0.483 -5.879 3.466 1.00 0.00 O ATOM 0 H GLY A 47 -1.436 -3.964 1.364 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.501 -3.085 4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.186 -3.117 3.607 1.00 0.00 H new ATOM 698 N SER A 48 -2.300 -5.427 4.612 1.00 0.00 N ATOM 699 CA SER A 48 -2.440 -6.845 5.030 1.00 0.00 C ATOM 700 C SER A 48 -3.702 -7.434 4.406 1.00 0.00 C ATOM 701 O SER A 48 -3.643 -8.222 3.486 1.00 0.00 O ATOM 702 CB SER A 48 -2.545 -6.922 6.554 1.00 0.00 C ATOM 703 OG SER A 48 -2.760 -5.617 7.075 1.00 0.00 O ATOM 0 H SER A 48 -3.021 -4.796 4.963 1.00 0.00 H new ATOM 0 HA SER A 48 -1.569 -7.409 4.697 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.365 -7.581 6.841 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.633 -7.348 6.972 1.00 0.00 H new ATOM 0 HG SER A 48 -2.830 -5.662 8.051 1.00 0.00 H new ATOM 709 N CYS A 49 -4.849 -7.061 4.896 1.00 0.00 N ATOM 710 CA CYS A 49 -6.098 -7.621 4.322 1.00 0.00 C ATOM 711 C CYS A 49 -6.438 -6.916 3.013 1.00 0.00 C ATOM 712 O CYS A 49 -6.817 -7.546 2.049 1.00 0.00 O ATOM 713 CB CYS A 49 -7.248 -7.460 5.318 1.00 0.00 C ATOM 714 SG CYS A 49 -8.576 -8.608 4.878 1.00 0.00 S ATOM 0 H CYS A 49 -4.974 -6.399 5.662 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.949 -8.682 4.120 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -6.899 -7.659 6.331 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.617 -6.435 5.304 1.00 0.00 H new ATOM 719 N GLY A 50 -6.305 -5.625 2.955 1.00 0.00 N ATOM 720 CA GLY A 50 -6.632 -4.920 1.685 1.00 0.00 C ATOM 721 C GLY A 50 -5.695 -3.729 1.481 1.00 0.00 C ATOM 722 O GLY A 50 -5.726 -2.771 2.227 1.00 0.00 O ATOM 0 H GLY A 50 -5.988 -5.030 3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.543 -5.609 0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.667 -4.577 1.708 1.00 0.00 H new ATOM 726 N MET A 51 -4.875 -3.770 0.463 1.00 0.00 N ATOM 727 CA MET A 51 -3.963 -2.623 0.205 1.00 0.00 C ATOM 728 C MET A 51 -4.798 -1.343 0.252 1.00 0.00 C ATOM 729 O MET A 51 -6.005 -1.395 0.376 1.00 0.00 O ATOM 730 CB MET A 51 -3.332 -2.771 -1.182 1.00 0.00 C ATOM 731 CG MET A 51 -2.565 -4.091 -1.258 1.00 0.00 C ATOM 732 SD MET A 51 -1.749 -4.223 -2.868 1.00 0.00 S ATOM 733 CE MET A 51 -2.881 -5.434 -3.592 1.00 0.00 C ATOM 0 H MET A 51 -4.799 -4.545 -0.196 1.00 0.00 H new ATOM 0 HA MET A 51 -3.169 -2.591 0.951 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.106 -2.744 -1.949 1.00 0.00 H new ATOM 0 HB3 MET A 51 -2.659 -1.936 -1.378 1.00 0.00 H new ATOM 0 HG2 MET A 51 -1.826 -4.141 -0.459 1.00 0.00 H new ATOM 0 HG3 MET A 51 -3.247 -4.929 -1.114 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.672 -5.536 -4.657 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.745 -6.398 -3.102 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.909 -5.099 -3.454 1.00 0.00 H new ATOM 743 N ALA A 52 -4.191 -0.195 0.146 1.00 0.00 N ATOM 744 CA ALA A 52 -5.009 1.052 0.184 1.00 0.00 C ATOM 745 C ALA A 52 -4.109 2.282 0.245 1.00 0.00 C ATOM 746 O ALA A 52 -2.945 2.214 -0.058 1.00 0.00 O ATOM 747 CB ALA A 52 -5.928 1.021 1.397 1.00 0.00 C ATOM 0 H ALA A 52 -3.185 -0.064 0.037 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.608 1.108 -0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.525 1.932 1.424 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.588 0.156 1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.329 0.952 2.305 1.00 0.00 H new ATOM 753 N CYS A 53 -4.645 3.419 0.603 1.00 0.00 N ATOM 754 CA CYS A 53 -3.818 4.654 0.626 1.00 0.00 C ATOM 755 C CYS A 53 -2.918 4.738 1.863 1.00 0.00 C ATOM 756 O CYS A 53 -3.281 5.307 2.873 1.00 0.00 O ATOM 757 CB CYS A 53 -4.747 5.868 0.602 1.00 0.00 C ATOM 758 SG CYS A 53 -5.880 5.744 -0.804 1.00 0.00 S ATOM 0 H CYS A 53 -5.619 3.543 0.880 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.168 4.634 -0.249 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.312 5.924 1.532 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.161 6.784 0.529 1.00 0.00 H new ATOM 763 N PHE A 54 -1.723 4.218 1.766 1.00 0.00 N ATOM 764 CA PHE A 54 -0.764 4.311 2.902 1.00 0.00 C ATOM 765 C PHE A 54 0.150 5.526 2.644 1.00 0.00 C ATOM 766 O PHE A 54 -0.316 6.628 2.440 1.00 0.00 O ATOM 767 CB PHE A 54 0.094 3.046 2.960 1.00 0.00 C ATOM 768 CG PHE A 54 -0.757 1.806 3.089 1.00 0.00 C ATOM 769 CD1 PHE A 54 -1.278 1.458 4.335 1.00 0.00 C ATOM 770 CD2 PHE A 54 -0.992 0.985 1.975 1.00 0.00 C ATOM 771 CE1 PHE A 54 -2.034 0.290 4.480 1.00 0.00 C ATOM 772 CE2 PHE A 54 -1.756 -0.180 2.118 1.00 0.00 C ATOM 773 CZ PHE A 54 -2.274 -0.528 3.372 1.00 0.00 C ATOM 0 H PHE A 54 -1.369 3.730 0.943 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.302 4.418 3.844 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.704 2.978 2.060 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.779 3.108 3.806 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.097 2.092 5.190 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.585 1.251 1.011 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.432 0.020 5.447 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.946 -0.810 1.262 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.859 -1.429 3.483 1.00 0.00 H new ATOM 783 N VAL A 55 1.450 5.325 2.614 1.00 0.00 N ATOM 784 CA VAL A 55 2.389 6.450 2.325 1.00 0.00 C ATOM 785 C VAL A 55 2.432 6.586 0.782 1.00 0.00 C ATOM 786 O VAL A 55 1.494 6.154 0.148 1.00 0.00 O ATOM 787 CB VAL A 55 3.761 6.109 2.937 1.00 0.00 C ATOM 788 CG1 VAL A 55 4.391 7.373 3.534 1.00 0.00 C ATOM 789 CG2 VAL A 55 3.593 5.085 4.066 1.00 0.00 C ATOM 0 H VAL A 55 1.898 4.424 2.779 1.00 0.00 H new ATOM 0 HA VAL A 55 2.079 7.400 2.759 1.00 0.00 H new ATOM 0 HB VAL A 55 4.397 5.701 2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.361 7.127 3.966 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.521 8.119 2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.739 7.772 4.311 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.568 4.850 4.492 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.949 5.500 4.841 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.142 4.176 3.668 1.00 0.00 H new ATOM 799 N PRO A 56 3.461 7.159 0.173 1.00 0.00 N ATOM 800 CA PRO A 56 3.461 7.285 -1.296 1.00 0.00 C ATOM 801 C PRO A 56 3.518 5.906 -1.969 1.00 0.00 C ATOM 802 O PRO A 56 2.504 5.253 -2.116 1.00 0.00 O ATOM 803 CB PRO A 56 4.674 8.168 -1.601 1.00 0.00 C ATOM 804 CG PRO A 56 5.590 8.084 -0.369 1.00 0.00 C ATOM 805 CD PRO A 56 4.686 7.697 0.816 1.00 0.00 C ATOM 0 HA PRO A 56 2.549 7.732 -1.691 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.192 7.821 -2.495 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.368 9.197 -1.789 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.375 7.342 -0.518 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.084 9.038 -0.186 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.162 6.952 1.454 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.461 8.559 1.445 1.00 0.00 H new ATOM 813 N GLN A 57 4.663 5.445 -2.386 1.00 0.00 N ATOM 814 CA GLN A 57 4.703 4.105 -3.045 1.00 0.00 C ATOM 815 C GLN A 57 5.637 3.170 -2.275 1.00 0.00 C ATOM 816 O GLN A 57 6.391 2.460 -2.919 1.00 0.00 O ATOM 817 CB GLN A 57 5.191 4.254 -4.489 1.00 0.00 C ATOM 818 CG GLN A 57 4.477 5.434 -5.149 1.00 0.00 C ATOM 819 CD GLN A 57 4.663 5.362 -6.664 1.00 0.00 C ATOM 820 OE1 GLN A 57 5.180 4.390 -7.178 1.00 0.00 O ATOM 821 NE2 GLN A 57 4.261 6.355 -7.409 1.00 0.00 N ATOM 822 OXT GLN A 57 5.580 3.176 -1.057 1.00 0.00 O ATOM 0 H GLN A 57 5.559 5.925 -2.303 1.00 0.00 H new ATOM 0 HA GLN A 57 3.700 3.679 -3.047 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.269 4.412 -4.505 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.995 3.338 -5.047 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.416 5.415 -4.901 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.876 6.374 -4.767 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.827 7.172 -6.979 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.381 6.314 -8.421 1.00 0.00 H new TER 831 GLN A 57