USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 404 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 42 HIS HE2 : A 42 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 10 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 12 THR OG1 : rot 180:sc= -0.0257 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 47:sc= 0.488 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.107) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.98 K(o=-0.98,f=-4.8!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.992 34.688 31.304 1.00 0.00 N ATOM 2 CA GLY A 1 18.643 33.395 31.401 1.00 0.00 C ATOM 3 C GLY A 1 17.653 32.257 31.549 1.00 0.00 C ATOM 4 O GLY A 1 17.797 31.411 32.432 1.00 0.00 O ATOM 0 H1 GLY A 1 18.711 35.432 31.204 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.365 34.699 30.475 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.432 34.860 32.164 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.251 33.230 30.511 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.321 33.396 32.255 1.00 0.00 H new ATOM 8 N SER A 2 16.644 32.237 30.684 1.00 0.00 N ATOM 9 CA SER A 2 15.622 31.197 30.727 1.00 0.00 C ATOM 10 C SER A 2 15.822 30.193 29.596 1.00 0.00 C ATOM 11 O SER A 2 16.477 30.488 28.596 1.00 0.00 O ATOM 12 CB SER A 2 14.227 31.819 30.631 1.00 0.00 C ATOM 13 OG SER A 2 14.111 32.637 29.480 1.00 0.00 O ATOM 0 H SER A 2 16.512 32.928 29.946 1.00 0.00 H new ATOM 0 HA SER A 2 15.713 30.671 31.677 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.475 31.030 30.598 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.028 32.412 31.524 1.00 0.00 H new ATOM 0 HG SER A 2 13.210 33.021 29.441 1.00 0.00 H new ATOM 19 N SER A 3 15.252 29.003 29.762 1.00 0.00 N ATOM 20 CA SER A 3 15.370 27.952 28.758 1.00 0.00 C ATOM 21 C SER A 3 14.009 27.330 28.460 1.00 0.00 C ATOM 22 O SER A 3 13.020 27.621 29.132 1.00 0.00 O ATOM 23 CB SER A 3 16.345 26.872 29.231 1.00 0.00 C ATOM 24 OG SER A 3 15.795 26.122 30.300 1.00 0.00 O ATOM 0 H SER A 3 14.704 28.743 30.582 1.00 0.00 H new ATOM 0 HA SER A 3 15.753 28.401 27.842 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.586 26.207 28.402 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.279 27.335 29.550 1.00 0.00 H new ATOM 0 HG SER A 3 16.436 25.437 30.583 1.00 0.00 H new ATOM 30 N GLY A 4 13.967 26.471 27.446 1.00 0.00 N ATOM 31 CA GLY A 4 12.724 25.820 27.076 1.00 0.00 C ATOM 32 C GLY A 4 12.918 24.361 26.715 1.00 0.00 C ATOM 33 O GLY A 4 14.043 23.863 26.698 1.00 0.00 O ATOM 0 H GLY A 4 14.772 26.214 26.874 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.018 25.896 27.903 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.281 26.345 26.230 1.00 0.00 H new ATOM 37 N SER A 5 11.818 23.673 26.427 1.00 0.00 N ATOM 38 CA SER A 5 11.871 22.260 26.070 1.00 0.00 C ATOM 39 C SER A 5 11.556 22.061 24.591 1.00 0.00 C ATOM 40 O SER A 5 11.061 22.969 23.923 1.00 0.00 O ATOM 41 CB SER A 5 10.888 21.458 26.925 1.00 0.00 C ATOM 42 OG SER A 5 9.560 21.616 26.459 1.00 0.00 O ATOM 0 H SER A 5 10.879 24.071 26.434 1.00 0.00 H new ATOM 0 HA SER A 5 12.883 21.901 26.260 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.161 20.403 26.905 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.954 21.784 27.963 1.00 0.00 H new ATOM 0 HG SER A 5 8.952 21.092 27.021 1.00 0.00 H new ATOM 48 N SER A 6 11.846 20.866 24.085 1.00 0.00 N ATOM 49 CA SER A 6 11.597 20.548 22.684 1.00 0.00 C ATOM 50 C SER A 6 11.106 19.112 22.532 1.00 0.00 C ATOM 51 O SER A 6 11.402 18.252 23.361 1.00 0.00 O ATOM 52 CB SER A 6 12.869 20.754 21.859 1.00 0.00 C ATOM 53 OG SER A 6 13.958 20.038 22.413 1.00 0.00 O ATOM 0 H SER A 6 12.254 20.102 24.625 1.00 0.00 H new ATOM 0 HA SER A 6 10.821 21.220 22.317 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.698 20.426 20.834 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.111 21.816 21.818 1.00 0.00 H new ATOM 0 HG SER A 6 14.758 20.185 21.866 1.00 0.00 H new ATOM 59 N GLY A 7 10.352 18.860 21.466 1.00 0.00 N ATOM 60 CA GLY A 7 9.831 17.528 21.224 1.00 0.00 C ATOM 61 C GLY A 7 9.213 17.388 19.847 1.00 0.00 C ATOM 62 O GLY A 7 8.129 16.822 19.699 1.00 0.00 O ATOM 0 H GLY A 7 10.093 19.555 20.766 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.636 16.801 21.333 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.083 17.291 21.980 1.00 0.00 H new ATOM 66 N LEU A 8 9.902 17.907 18.836 1.00 0.00 N ATOM 67 CA LEU A 8 9.413 17.839 17.463 1.00 0.00 C ATOM 68 C LEU A 8 9.452 16.406 16.941 1.00 0.00 C ATOM 69 O LEU A 8 10.513 15.784 16.882 1.00 0.00 O ATOM 70 CB LEU A 8 10.249 18.747 16.559 1.00 0.00 C ATOM 71 CG LEU A 8 9.920 20.239 16.617 1.00 0.00 C ATOM 72 CD1 LEU A 8 8.541 20.504 16.031 1.00 0.00 C ATOM 73 CD2 LEU A 8 10.001 20.747 18.048 1.00 0.00 C ATOM 0 H LEU A 8 10.800 18.379 18.941 1.00 0.00 H new ATOM 0 HA LEU A 8 8.378 18.180 17.454 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.300 18.617 16.819 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.131 18.409 15.529 1.00 0.00 H new ATOM 0 HG LEU A 8 10.655 20.778 16.020 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.324 21.571 16.081 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.518 20.177 14.991 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.792 19.954 16.601 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.764 21.811 18.070 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.288 20.203 18.668 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.009 20.592 18.433 1.00 0.00 H new ATOM 85 N LYS A 9 8.289 15.888 16.562 1.00 0.00 N ATOM 86 CA LYS A 9 8.189 14.530 16.041 1.00 0.00 C ATOM 87 C LYS A 9 7.450 14.512 14.708 1.00 0.00 C ATOM 88 O LYS A 9 6.925 15.534 14.264 1.00 0.00 O ATOM 89 CB LYS A 9 7.471 13.628 17.047 1.00 0.00 C ATOM 90 CG LYS A 9 6.010 13.989 17.253 1.00 0.00 C ATOM 91 CD LYS A 9 5.310 12.986 18.154 1.00 0.00 C ATOM 92 CE LYS A 9 5.665 13.207 19.617 1.00 0.00 C ATOM 93 NZ LYS A 9 4.921 12.281 20.515 1.00 0.00 N ATOM 0 H LYS A 9 7.401 16.389 16.606 1.00 0.00 H new ATOM 0 HA LYS A 9 9.199 14.153 15.881 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.537 12.594 16.707 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.988 13.682 18.005 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.938 14.985 17.691 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.504 14.028 16.288 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.231 13.070 18.024 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.589 11.974 17.860 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.737 13.065 19.756 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.442 14.238 19.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.191 12.464 21.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.899 12.434 20.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.153 11.298 20.269 1.00 0.00 H new ATOM 107 N CYS A 10 7.411 13.345 14.074 1.00 0.00 N ATOM 108 CA CYS A 10 6.734 13.194 12.791 1.00 0.00 C ATOM 109 C CYS A 10 6.025 11.847 12.705 1.00 0.00 C ATOM 110 O CYS A 10 6.567 10.821 13.116 1.00 0.00 O ATOM 111 CB CYS A 10 7.736 13.330 11.643 1.00 0.00 C ATOM 112 SG CYS A 10 6.988 13.772 10.058 1.00 0.00 S ATOM 0 H CYS A 10 7.840 12.490 14.428 1.00 0.00 H new ATOM 0 HA CYS A 10 5.987 13.983 12.708 1.00 0.00 H new ATOM 0 HB2 CYS A 10 8.475 14.087 11.908 1.00 0.00 H new ATOM 0 HB3 CYS A 10 8.272 12.388 11.529 1.00 0.00 H new ATOM 0 HG CYS A 10 7.915 13.866 9.152 1.00 0.00 H new ATOM 118 N SER A 11 4.808 11.857 12.170 1.00 0.00 N ATOM 119 CA SER A 11 4.021 10.637 12.036 1.00 0.00 C ATOM 120 C SER A 11 3.768 10.312 10.567 1.00 0.00 C ATOM 121 O SER A 11 2.985 10.985 9.895 1.00 0.00 O ATOM 122 CB SER A 11 2.689 10.779 12.775 1.00 0.00 C ATOM 123 OG SER A 11 1.979 11.923 12.331 1.00 0.00 O ATOM 0 H SER A 11 4.346 12.697 11.822 1.00 0.00 H new ATOM 0 HA SER A 11 4.588 9.819 12.479 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.084 9.887 12.615 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.870 10.853 13.847 1.00 0.00 H new ATOM 0 HG SER A 11 1.976 11.946 11.351 1.00 0.00 H new ATOM 129 N THR A 12 4.438 9.275 10.073 1.00 0.00 N ATOM 130 CA THR A 12 4.288 8.861 8.684 1.00 0.00 C ATOM 131 C THR A 12 4.477 7.355 8.536 1.00 0.00 C ATOM 132 O THR A 12 5.372 6.769 9.144 1.00 0.00 O ATOM 133 CB THR A 12 5.294 9.585 7.770 1.00 0.00 C ATOM 134 OG1 THR A 12 5.220 10.999 7.982 1.00 0.00 O ATOM 135 CG2 THR A 12 5.019 9.272 6.307 1.00 0.00 C ATOM 0 H THR A 12 5.089 8.707 10.615 1.00 0.00 H new ATOM 0 HA THR A 12 3.276 9.129 8.382 1.00 0.00 H new ATOM 0 HB THR A 12 6.295 9.233 8.019 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.864 11.451 7.398 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.742 9.795 5.681 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.105 8.198 6.142 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.012 9.599 6.048 1.00 0.00 H new ATOM 143 N VAL A 13 3.628 6.734 7.723 1.00 0.00 N ATOM 144 CA VAL A 13 3.702 5.296 7.494 1.00 0.00 C ATOM 145 C VAL A 13 4.663 4.970 6.356 1.00 0.00 C ATOM 146 O VAL A 13 5.042 5.846 5.578 1.00 0.00 O ATOM 147 CB VAL A 13 2.317 4.707 7.166 1.00 0.00 C ATOM 148 CG1 VAL A 13 1.903 5.075 5.749 1.00 0.00 C ATOM 149 CG2 VAL A 13 2.322 3.198 7.355 1.00 0.00 C ATOM 0 H VAL A 13 2.881 7.204 7.212 1.00 0.00 H new ATOM 0 HA VAL A 13 4.070 4.847 8.417 1.00 0.00 H new ATOM 0 HB VAL A 13 1.587 5.133 7.854 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.922 4.650 5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.858 6.160 5.653 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.632 4.679 5.042 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.336 2.798 7.119 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.063 2.751 6.692 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.571 2.962 8.390 1.00 0.00 H new ATOM 159 N VAL A 14 5.054 3.703 6.264 1.00 0.00 N ATOM 160 CA VAL A 14 5.970 3.260 5.219 1.00 0.00 C ATOM 161 C VAL A 14 5.511 1.941 4.609 1.00 0.00 C ATOM 162 O VAL A 14 4.685 1.232 5.184 1.00 0.00 O ATOM 163 CB VAL A 14 7.402 3.091 5.763 1.00 0.00 C ATOM 164 CG1 VAL A 14 7.953 4.426 6.239 1.00 0.00 C ATOM 165 CG2 VAL A 14 7.427 2.063 6.884 1.00 0.00 C ATOM 0 H VAL A 14 4.751 2.965 6.900 1.00 0.00 H new ATOM 0 HA VAL A 14 5.970 4.032 4.450 1.00 0.00 H new ATOM 0 HB VAL A 14 8.039 2.730 4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.965 4.287 6.620 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.972 5.129 5.407 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.318 4.820 7.032 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.446 1.956 7.257 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.777 2.393 7.694 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.076 1.103 6.505 1.00 0.00 H new ATOM 175 N CYS A 15 6.052 1.616 3.439 1.00 0.00 N ATOM 176 CA CYS A 15 5.699 0.382 2.749 1.00 0.00 C ATOM 177 C CYS A 15 5.590 -0.780 3.733 1.00 0.00 C ATOM 178 O CYS A 15 6.536 -1.083 4.459 1.00 0.00 O ATOM 179 CB CYS A 15 6.738 0.058 1.674 1.00 0.00 C ATOM 180 SG CYS A 15 6.199 -1.201 0.473 1.00 0.00 S ATOM 0 H CYS A 15 6.737 2.191 2.949 1.00 0.00 H new ATOM 0 HA CYS A 15 4.728 0.526 2.275 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.987 0.973 1.137 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.652 -0.286 2.159 1.00 0.00 H new ATOM 185 N VAL A 16 4.428 -1.426 3.751 1.00 0.00 N ATOM 186 CA VAL A 16 4.195 -2.555 4.644 1.00 0.00 C ATOM 187 C VAL A 16 4.884 -3.814 4.129 1.00 0.00 C ATOM 188 O VAL A 16 4.626 -4.916 4.614 1.00 0.00 O ATOM 189 CB VAL A 16 2.690 -2.837 4.810 1.00 0.00 C ATOM 190 CG1 VAL A 16 2.004 -1.679 5.517 1.00 0.00 C ATOM 191 CG2 VAL A 16 2.046 -3.104 3.458 1.00 0.00 C ATOM 0 H VAL A 16 3.634 -1.187 3.157 1.00 0.00 H new ATOM 0 HA VAL A 16 4.615 -2.285 5.613 1.00 0.00 H new ATOM 0 HB VAL A 16 2.571 -3.728 5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.941 -1.897 5.625 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.448 -1.540 6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.130 -0.769 4.931 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.983 -3.301 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.174 -2.233 2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.519 -3.970 2.994 1.00 0.00 H new ATOM 201 N ILE A 17 5.760 -3.642 3.145 1.00 0.00 N ATOM 202 CA ILE A 17 6.487 -4.765 2.566 1.00 0.00 C ATOM 203 C ILE A 17 7.991 -4.603 2.758 1.00 0.00 C ATOM 204 O ILE A 17 8.659 -5.488 3.294 1.00 0.00 O ATOM 205 CB ILE A 17 6.186 -4.916 1.064 1.00 0.00 C ATOM 206 CG1 ILE A 17 4.676 -4.895 0.819 1.00 0.00 C ATOM 207 CG2 ILE A 17 6.797 -6.202 0.527 1.00 0.00 C ATOM 208 CD1 ILE A 17 3.972 -6.154 1.275 1.00 0.00 C ATOM 0 H ILE A 17 5.983 -2.736 2.732 1.00 0.00 H new ATOM 0 HA ILE A 17 6.151 -5.661 3.087 1.00 0.00 H new ATOM 0 HB ILE A 17 6.633 -4.075 0.533 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.244 -4.039 1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.491 -4.750 -0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.575 -6.294 -0.536 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.877 -6.180 0.672 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.377 -7.055 1.060 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.905 -6.069 1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.377 -7.012 0.738 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.126 -6.290 2.345 1.00 0.00 H new ATOM 220 N CYS A 18 8.520 -3.466 2.318 1.00 0.00 N ATOM 221 CA CYS A 18 9.945 -3.186 2.442 1.00 0.00 C ATOM 222 C CYS A 18 10.192 -2.045 3.424 1.00 0.00 C ATOM 223 O CYS A 18 11.324 -1.811 3.850 1.00 0.00 O ATOM 224 CB CYS A 18 10.537 -2.834 1.076 1.00 0.00 C ATOM 225 SG CYS A 18 9.958 -1.245 0.401 1.00 0.00 S ATOM 0 H CYS A 18 7.982 -2.723 1.872 1.00 0.00 H new ATOM 0 HA CYS A 18 10.434 -4.082 2.823 1.00 0.00 H new ATOM 0 HB2 CYS A 18 11.623 -2.807 1.159 1.00 0.00 H new ATOM 0 HB3 CYS A 18 10.291 -3.627 0.370 1.00 0.00 H new ATOM 230 N LEU A 19 9.125 -1.338 3.781 1.00 0.00 N ATOM 231 CA LEU A 19 9.225 -0.221 4.715 1.00 0.00 C ATOM 232 C LEU A 19 10.101 0.889 4.143 1.00 0.00 C ATOM 233 O LEU A 19 11.070 1.313 4.771 1.00 0.00 O ATOM 234 CB LEU A 19 9.794 -0.698 6.052 1.00 0.00 C ATOM 235 CG LEU A 19 8.938 -1.699 6.828 1.00 0.00 C ATOM 236 CD1 LEU A 19 9.136 -3.105 6.284 1.00 0.00 C ATOM 237 CD2 LEU A 19 9.269 -1.647 8.312 1.00 0.00 C ATOM 0 H LEU A 19 8.181 -1.518 3.438 1.00 0.00 H new ATOM 0 HA LEU A 19 8.223 0.178 4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.769 -1.150 5.868 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.961 0.174 6.685 1.00 0.00 H new ATOM 0 HG LEU A 19 7.890 -1.427 6.701 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.519 -3.804 6.849 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.847 -3.133 5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.184 -3.388 6.380 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.650 -2.366 8.848 1.00 0.00 H new ATOM 0 HD22 LEU A 19 10.321 -1.893 8.459 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.074 -0.645 8.693 1.00 0.00 H new ATOM 249 N GLU A 20 9.750 1.357 2.949 1.00 0.00 N ATOM 250 CA GLU A 20 10.504 2.420 2.294 1.00 0.00 C ATOM 251 C GLU A 20 9.569 3.506 1.770 1.00 0.00 C ATOM 252 O GLU A 20 8.377 3.272 1.568 1.00 0.00 O ATOM 253 CB GLU A 20 11.338 1.850 1.144 1.00 0.00 C ATOM 254 CG GLU A 20 12.391 0.852 1.593 1.00 0.00 C ATOM 255 CD GLU A 20 13.580 0.796 0.654 1.00 0.00 C ATOM 256 OE1 GLU A 20 13.382 0.470 -0.535 1.00 0.00 O ATOM 257 OE2 GLU A 20 14.709 1.079 1.107 1.00 0.00 O ATOM 0 H GLU A 20 8.949 1.017 2.416 1.00 0.00 H new ATOM 0 HA GLU A 20 11.172 2.865 3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.673 1.366 0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.827 2.671 0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.735 1.117 2.593 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.941 -0.138 1.663 1.00 0.00 H new ATOM 264 N LYS A 21 10.119 4.696 1.551 1.00 0.00 N ATOM 265 CA LYS A 21 9.337 5.820 1.049 1.00 0.00 C ATOM 266 C LYS A 21 8.335 5.358 -0.005 1.00 0.00 C ATOM 267 O LYS A 21 8.675 5.152 -1.170 1.00 0.00 O ATOM 268 CB LYS A 21 10.261 6.887 0.458 1.00 0.00 C ATOM 269 CG LYS A 21 9.526 7.963 -0.323 1.00 0.00 C ATOM 270 CD LYS A 21 10.488 8.982 -0.910 1.00 0.00 C ATOM 271 CE LYS A 21 9.746 10.143 -1.553 1.00 0.00 C ATOM 272 NZ LYS A 21 10.671 11.061 -2.275 1.00 0.00 N ATOM 0 H LYS A 21 11.104 4.907 1.713 1.00 0.00 H new ATOM 0 HA LYS A 21 8.785 6.249 1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.824 7.356 1.265 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.986 6.405 -0.198 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.949 7.502 -1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.815 8.467 0.332 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.144 9.358 -0.125 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.123 8.499 -1.652 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.001 9.757 -2.249 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.208 10.699 -0.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.127 11.839 -2.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.367 11.449 -1.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.166 10.536 -3.024 1.00 0.00 H new ATOM 286 N PRO A 22 7.071 5.193 0.411 1.00 0.00 N ATOM 287 CA PRO A 22 5.994 4.757 -0.483 1.00 0.00 C ATOM 288 C PRO A 22 5.622 5.824 -1.506 1.00 0.00 C ATOM 289 O PRO A 22 5.086 6.875 -1.155 1.00 0.00 O ATOM 290 CB PRO A 22 4.825 4.498 0.470 1.00 0.00 C ATOM 291 CG PRO A 22 5.098 5.367 1.650 1.00 0.00 C ATOM 292 CD PRO A 22 6.595 5.421 1.786 1.00 0.00 C ATOM 0 HA PRO A 22 6.281 3.887 -1.073 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.872 4.750 0.005 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.772 3.447 0.756 1.00 0.00 H new ATOM 0 HG2 PRO A 22 4.683 6.364 1.505 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.639 4.959 2.550 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.929 6.384 2.172 1.00 0.00 H new ATOM 0 HD3 PRO A 22 6.964 4.658 2.471 1.00 0.00 H new ATOM 300 N LYS A 23 5.908 5.547 -2.774 1.00 0.00 N ATOM 301 CA LYS A 23 5.602 6.483 -3.850 1.00 0.00 C ATOM 302 C LYS A 23 4.102 6.523 -4.125 1.00 0.00 C ATOM 303 O LYS A 23 3.542 7.582 -4.409 1.00 0.00 O ATOM 304 CB LYS A 23 6.355 6.091 -5.123 1.00 0.00 C ATOM 305 CG LYS A 23 7.863 6.229 -5.006 1.00 0.00 C ATOM 306 CD LYS A 23 8.553 5.950 -6.330 1.00 0.00 C ATOM 307 CE LYS A 23 10.065 5.901 -6.171 1.00 0.00 C ATOM 308 NZ LYS A 23 10.737 5.404 -7.404 1.00 0.00 N ATOM 0 H LYS A 23 6.351 4.682 -3.082 1.00 0.00 H new ATOM 0 HA LYS A 23 5.923 7.477 -3.537 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.112 5.059 -5.375 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.005 6.712 -5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.112 7.236 -4.670 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.235 5.539 -4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.198 5.002 -6.734 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.287 6.723 -7.050 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.437 6.897 -5.931 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.321 5.254 -5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.766 5.385 -7.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.401 4.444 -7.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.514 6.035 -8.200 1.00 0.00 H new ATOM 322 N TYR A 24 3.458 5.365 -4.037 1.00 0.00 N ATOM 323 CA TYR A 24 2.023 5.269 -4.278 1.00 0.00 C ATOM 324 C TYR A 24 1.360 4.348 -3.257 1.00 0.00 C ATOM 325 O TYR A 24 2.034 3.724 -2.437 1.00 0.00 O ATOM 326 CB TYR A 24 1.755 4.756 -5.694 1.00 0.00 C ATOM 327 CG TYR A 24 2.810 5.167 -6.696 1.00 0.00 C ATOM 328 CD1 TYR A 24 4.003 4.463 -6.806 1.00 0.00 C ATOM 329 CD2 TYR A 24 2.614 6.259 -7.532 1.00 0.00 C ATOM 330 CE1 TYR A 24 4.970 4.836 -7.720 1.00 0.00 C ATOM 331 CE2 TYR A 24 3.575 6.638 -8.450 1.00 0.00 C ATOM 332 CZ TYR A 24 4.751 5.923 -8.540 1.00 0.00 C ATOM 333 OH TYR A 24 5.711 6.298 -9.452 1.00 0.00 O ATOM 0 H TYR A 24 3.906 4.480 -3.801 1.00 0.00 H new ATOM 0 HA TYR A 24 1.595 6.266 -4.173 1.00 0.00 H new ATOM 0 HB2 TYR A 24 1.691 3.668 -5.671 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.785 5.125 -6.028 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.177 3.610 -6.167 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.695 6.822 -7.463 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.893 4.279 -7.792 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.406 7.489 -9.093 1.00 0.00 H new ATOM 0 HH TYR A 24 5.399 7.082 -9.951 1.00 0.00 H new ATOM 343 N ARG A 25 0.035 4.268 -3.315 1.00 0.00 N ATOM 344 CA ARG A 25 -0.721 3.425 -2.397 1.00 0.00 C ATOM 345 C ARG A 25 -1.724 2.559 -3.154 1.00 0.00 C ATOM 346 O ARG A 25 -2.041 2.827 -4.314 1.00 0.00 O ATOM 347 CB ARG A 25 -1.450 4.285 -1.364 1.00 0.00 C ATOM 348 CG ARG A 25 -0.589 4.666 -0.171 1.00 0.00 C ATOM 349 CD ARG A 25 -1.362 5.517 0.825 1.00 0.00 C ATOM 350 NE ARG A 25 -1.591 6.870 0.326 1.00 0.00 N ATOM 351 CZ ARG A 25 -2.752 7.284 -0.170 1.00 0.00 C ATOM 352 NH1 ARG A 25 -3.783 6.453 -0.233 1.00 0.00 N ATOM 353 NH2 ARG A 25 -2.883 8.531 -0.604 1.00 0.00 N ATOM 0 H ARG A 25 -0.537 4.777 -3.988 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.018 2.770 -1.883 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.808 5.194 -1.848 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.328 3.746 -1.010 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.229 3.763 0.322 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.289 5.213 -0.514 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.320 5.043 1.040 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.812 5.565 1.765 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.817 7.534 0.360 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.686 5.494 0.100 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.673 6.773 -0.614 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.092 9.173 -0.557 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.775 8.848 -0.985 1.00 0.00 H new ATOM 367 N CYS A 26 -2.219 1.520 -2.491 1.00 0.00 N ATOM 368 CA CYS A 26 -3.186 0.614 -3.100 1.00 0.00 C ATOM 369 C CYS A 26 -4.536 1.300 -3.282 1.00 0.00 C ATOM 370 O CYS A 26 -5.137 1.804 -2.332 1.00 0.00 O ATOM 371 CB CYS A 26 -3.350 -0.642 -2.242 1.00 0.00 C ATOM 372 SG CYS A 26 -4.404 -1.924 -2.994 1.00 0.00 S ATOM 0 H CYS A 26 -1.967 1.284 -1.531 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.810 0.328 -4.082 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.365 -1.066 -2.045 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.773 -0.358 -1.278 1.00 0.00 H new ATOM 377 N PRO A 27 -5.026 1.322 -4.530 1.00 0.00 N ATOM 378 CA PRO A 27 -6.311 1.942 -4.865 1.00 0.00 C ATOM 379 C PRO A 27 -7.496 1.160 -4.309 1.00 0.00 C ATOM 380 O PRO A 27 -8.647 1.436 -4.646 1.00 0.00 O ATOM 381 CB PRO A 27 -6.327 1.920 -6.396 1.00 0.00 C ATOM 382 CG PRO A 27 -5.432 0.788 -6.767 1.00 0.00 C ATOM 383 CD PRO A 27 -4.364 0.740 -5.710 1.00 0.00 C ATOM 0 HA PRO A 27 -6.405 2.940 -4.438 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.336 1.769 -6.779 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -5.966 2.862 -6.809 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.985 -0.150 -6.805 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.997 0.942 -7.754 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.031 -0.281 -5.521 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.484 1.314 -6.001 1.00 0.00 H new ATOM 391 N ALA A 28 -7.206 0.184 -3.455 1.00 0.00 N ATOM 392 CA ALA A 28 -8.248 -0.636 -2.849 1.00 0.00 C ATOM 393 C ALA A 28 -8.283 -0.450 -1.336 1.00 0.00 C ATOM 394 O ALA A 28 -9.252 0.076 -0.787 1.00 0.00 O ATOM 395 CB ALA A 28 -8.035 -2.101 -3.198 1.00 0.00 C ATOM 0 H ALA A 28 -6.258 -0.058 -3.167 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.209 -0.314 -3.250 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.820 -2.702 -2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.068 -2.226 -4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.064 -2.426 -2.825 1.00 0.00 H new ATOM 401 N CYS A 29 -7.221 -0.885 -0.666 1.00 0.00 N ATOM 402 CA CYS A 29 -7.130 -0.767 0.784 1.00 0.00 C ATOM 403 C CYS A 29 -6.402 0.513 1.182 1.00 0.00 C ATOM 404 O CYS A 29 -6.474 0.949 2.331 1.00 0.00 O ATOM 405 CB CYS A 29 -6.408 -1.982 1.371 1.00 0.00 C ATOM 406 SG CYS A 29 -4.862 -2.415 0.509 1.00 0.00 S ATOM 0 H CYS A 29 -6.411 -1.323 -1.105 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.143 -0.726 1.184 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.184 -1.787 2.420 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -7.080 -2.840 1.342 1.00 0.00 H new ATOM 411 N ARG A 30 -5.700 1.110 0.224 1.00 0.00 N ATOM 412 CA ARG A 30 -4.958 2.339 0.474 1.00 0.00 C ATOM 413 C ARG A 30 -3.761 2.076 1.383 1.00 0.00 C ATOM 414 O ARG A 30 -3.609 2.711 2.427 1.00 0.00 O ATOM 415 CB ARG A 30 -5.870 3.392 1.106 1.00 0.00 C ATOM 416 CG ARG A 30 -7.156 3.629 0.330 1.00 0.00 C ATOM 417 CD ARG A 30 -8.212 2.589 0.672 1.00 0.00 C ATOM 418 NE ARG A 30 -9.566 3.092 0.454 1.00 0.00 N ATOM 419 CZ ARG A 30 -10.117 3.222 -0.747 1.00 0.00 C ATOM 420 NH1 ARG A 30 -9.434 2.887 -1.833 1.00 0.00 N ATOM 421 NH2 ARG A 30 -11.354 3.687 -0.864 1.00 0.00 N ATOM 0 H ARG A 30 -5.630 0.762 -0.732 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.592 2.713 -0.482 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.120 3.082 2.121 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.325 4.332 1.185 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.539 4.625 0.553 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.948 3.600 -0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.054 1.698 0.064 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.100 2.288 1.714 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.118 3.358 1.269 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.483 2.528 -1.747 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.860 2.988 -2.754 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.883 3.945 -0.031 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.776 3.786 -1.787 1.00 0.00 H new ATOM 435 N VAL A 31 -2.913 1.135 0.979 1.00 0.00 N ATOM 436 CA VAL A 31 -1.729 0.788 1.756 1.00 0.00 C ATOM 437 C VAL A 31 -0.464 1.333 1.103 1.00 0.00 C ATOM 438 O VAL A 31 -0.403 1.547 -0.108 1.00 0.00 O ATOM 439 CB VAL A 31 -1.593 -0.737 1.921 1.00 0.00 C ATOM 440 CG1 VAL A 31 -2.644 -1.266 2.885 1.00 0.00 C ATOM 441 CG2 VAL A 31 -1.700 -1.430 0.571 1.00 0.00 C ATOM 0 H VAL A 31 -3.024 0.599 0.118 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.851 1.242 2.739 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.610 -0.953 2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.532 -2.345 2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.516 -0.793 3.858 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.638 -1.040 2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.602 -2.507 0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.669 -1.207 0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.906 -1.073 -0.085 1.00 0.00 H new ATOM 451 N PRO A 32 0.573 1.563 1.923 1.00 0.00 N ATOM 452 CA PRO A 32 1.858 2.084 1.447 1.00 0.00 C ATOM 453 C PRO A 32 2.621 1.067 0.606 1.00 0.00 C ATOM 454 O PRO A 32 2.870 -0.055 1.048 1.00 0.00 O ATOM 455 CB PRO A 32 2.618 2.388 2.740 1.00 0.00 C ATOM 456 CG PRO A 32 2.019 1.476 3.755 1.00 0.00 C ATOM 457 CD PRO A 32 0.571 1.330 3.377 1.00 0.00 C ATOM 0 HA PRO A 32 1.731 2.950 0.797 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.686 2.204 2.624 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.504 3.433 3.030 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.522 0.509 3.756 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.121 1.889 4.759 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.189 0.340 3.625 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.056 2.053 3.899 1.00 0.00 H new ATOM 465 N TYR A 33 2.990 1.465 -0.606 1.00 0.00 N ATOM 466 CA TYR A 33 3.724 0.587 -1.509 1.00 0.00 C ATOM 467 C TYR A 33 4.585 1.395 -2.475 1.00 0.00 C ATOM 468 O TYR A 33 4.086 2.263 -3.192 1.00 0.00 O ATOM 469 CB TYR A 33 2.754 -0.300 -2.292 1.00 0.00 C ATOM 470 CG TYR A 33 2.360 0.272 -3.635 1.00 0.00 C ATOM 471 CD1 TYR A 33 3.278 0.351 -4.675 1.00 0.00 C ATOM 472 CD2 TYR A 33 1.069 0.733 -3.863 1.00 0.00 C ATOM 473 CE1 TYR A 33 2.922 0.874 -5.903 1.00 0.00 C ATOM 474 CE2 TYR A 33 0.704 1.256 -5.089 1.00 0.00 C ATOM 475 CZ TYR A 33 1.634 1.325 -6.105 1.00 0.00 C ATOM 476 OH TYR A 33 1.276 1.845 -7.328 1.00 0.00 O ATOM 0 H TYR A 33 2.793 2.391 -0.986 1.00 0.00 H new ATOM 0 HA TYR A 33 4.379 -0.044 -0.908 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.211 -1.278 -2.443 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.855 -0.456 -1.695 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.287 -0.002 -4.521 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.339 0.682 -3.069 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.648 0.930 -6.701 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.304 1.609 -5.251 1.00 0.00 H new ATOM 0 HH TYR A 33 0.335 2.116 -7.305 1.00 0.00 H new ATOM 486 N CYS A 34 5.881 1.102 -2.489 1.00 0.00 N ATOM 487 CA CYS A 34 6.814 1.800 -3.366 1.00 0.00 C ATOM 488 C CYS A 34 6.497 1.517 -4.832 1.00 0.00 C ATOM 489 O CYS A 34 6.040 2.398 -5.560 1.00 0.00 O ATOM 490 CB CYS A 34 8.251 1.380 -3.053 1.00 0.00 C ATOM 491 SG CYS A 34 8.447 -0.396 -2.698 1.00 0.00 S ATOM 0 H CYS A 34 6.309 0.386 -1.903 1.00 0.00 H new ATOM 0 HA CYS A 34 6.709 2.871 -3.190 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.887 1.643 -3.898 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.607 1.952 -2.196 1.00 0.00 H new ATOM 496 N SER A 35 6.742 0.282 -5.257 1.00 0.00 N ATOM 497 CA SER A 35 6.487 -0.117 -6.636 1.00 0.00 C ATOM 498 C SER A 35 5.428 -1.214 -6.697 1.00 0.00 C ATOM 499 O SER A 35 4.996 -1.733 -5.669 1.00 0.00 O ATOM 500 CB SER A 35 7.779 -0.601 -7.297 1.00 0.00 C ATOM 501 OG SER A 35 8.475 0.473 -7.904 1.00 0.00 O ATOM 0 H SER A 35 7.117 -0.460 -4.666 1.00 0.00 H new ATOM 0 HA SER A 35 6.115 0.753 -7.177 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.416 -1.076 -6.552 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.546 -1.357 -8.047 1.00 0.00 H new ATOM 0 HG SER A 35 9.298 0.138 -8.318 1.00 0.00 H new ATOM 507 N VAL A 36 5.015 -1.561 -7.912 1.00 0.00 N ATOM 508 CA VAL A 36 4.008 -2.597 -8.109 1.00 0.00 C ATOM 509 C VAL A 36 4.407 -3.892 -7.411 1.00 0.00 C ATOM 510 O VAL A 36 3.577 -4.558 -6.793 1.00 0.00 O ATOM 511 CB VAL A 36 3.782 -2.882 -9.606 1.00 0.00 C ATOM 512 CG1 VAL A 36 4.907 -3.743 -10.161 1.00 0.00 C ATOM 513 CG2 VAL A 36 2.432 -3.549 -9.823 1.00 0.00 C ATOM 0 H VAL A 36 5.362 -1.140 -8.774 1.00 0.00 H new ATOM 0 HA VAL A 36 3.081 -2.224 -7.673 1.00 0.00 H new ATOM 0 HB VAL A 36 3.783 -1.934 -10.143 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.731 -3.934 -11.220 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.857 -3.223 -10.040 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.940 -4.690 -9.622 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.289 -3.743 -10.886 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.399 -4.490 -9.274 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.640 -2.892 -9.464 1.00 0.00 H new ATOM 523 N VAL A 37 5.685 -4.244 -7.514 1.00 0.00 N ATOM 524 CA VAL A 37 6.196 -5.459 -6.891 1.00 0.00 C ATOM 525 C VAL A 37 5.626 -5.639 -5.488 1.00 0.00 C ATOM 526 O VAL A 37 4.822 -6.538 -5.244 1.00 0.00 O ATOM 527 CB VAL A 37 7.734 -5.444 -6.810 1.00 0.00 C ATOM 528 CG1 VAL A 37 8.245 -6.702 -6.125 1.00 0.00 C ATOM 529 CG2 VAL A 37 8.339 -5.301 -8.199 1.00 0.00 C ATOM 0 H VAL A 37 6.385 -3.705 -8.023 1.00 0.00 H new ATOM 0 HA VAL A 37 5.881 -6.293 -7.518 1.00 0.00 H new ATOM 0 HB VAL A 37 8.041 -4.584 -6.214 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.334 -6.674 -6.077 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.839 -6.757 -5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.930 -7.578 -6.691 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.426 -5.292 -8.123 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.025 -6.140 -8.821 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.999 -4.368 -8.650 1.00 0.00 H new ATOM 539 N CYS A 38 6.048 -4.777 -4.569 1.00 0.00 N ATOM 540 CA CYS A 38 5.581 -4.839 -3.190 1.00 0.00 C ATOM 541 C CYS A 38 4.060 -4.956 -3.135 1.00 0.00 C ATOM 542 O CYS A 38 3.506 -5.572 -2.225 1.00 0.00 O ATOM 543 CB CYS A 38 6.036 -3.599 -2.418 1.00 0.00 C ATOM 544 SG CYS A 38 7.727 -3.717 -1.751 1.00 0.00 S ATOM 0 H CYS A 38 6.713 -4.027 -4.755 1.00 0.00 H new ATOM 0 HA CYS A 38 6.013 -5.726 -2.727 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.976 -2.732 -3.076 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.344 -3.422 -1.595 1.00 0.00 H new ATOM 549 N PHE A 39 3.391 -4.360 -4.117 1.00 0.00 N ATOM 550 CA PHE A 39 1.935 -4.396 -4.181 1.00 0.00 C ATOM 551 C PHE A 39 1.446 -5.748 -4.693 1.00 0.00 C ATOM 552 O PHE A 39 0.339 -6.180 -4.375 1.00 0.00 O ATOM 553 CB PHE A 39 1.416 -3.277 -5.087 1.00 0.00 C ATOM 554 CG PHE A 39 -0.033 -3.428 -5.455 1.00 0.00 C ATOM 555 CD1 PHE A 39 -0.995 -3.611 -4.475 1.00 0.00 C ATOM 556 CD2 PHE A 39 -0.432 -3.386 -6.781 1.00 0.00 C ATOM 557 CE1 PHE A 39 -2.329 -3.749 -4.810 1.00 0.00 C ATOM 558 CE2 PHE A 39 -1.764 -3.524 -7.122 1.00 0.00 C ATOM 559 CZ PHE A 39 -2.714 -3.707 -6.136 1.00 0.00 C ATOM 0 H PHE A 39 3.834 -3.847 -4.879 1.00 0.00 H new ATOM 0 HA PHE A 39 1.548 -4.248 -3.173 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.558 -2.319 -4.586 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.013 -3.251 -5.998 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.699 -3.646 -3.437 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.306 -3.244 -7.557 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.069 -3.889 -4.036 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.062 -3.489 -8.159 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.755 -3.817 -6.401 1.00 0.00 H new ATOM 569 N ARG A 40 2.281 -6.409 -5.488 1.00 0.00 N ATOM 570 CA ARG A 40 1.934 -7.711 -6.046 1.00 0.00 C ATOM 571 C ARG A 40 1.698 -8.732 -4.937 1.00 0.00 C ATOM 572 O ARG A 40 0.593 -9.253 -4.781 1.00 0.00 O ATOM 573 CB ARG A 40 3.043 -8.202 -6.978 1.00 0.00 C ATOM 574 CG ARG A 40 3.189 -7.370 -8.242 1.00 0.00 C ATOM 575 CD ARG A 40 4.018 -8.093 -9.292 1.00 0.00 C ATOM 576 NE ARG A 40 3.309 -9.239 -9.856 1.00 0.00 N ATOM 577 CZ ARG A 40 3.883 -10.145 -10.639 1.00 0.00 C ATOM 578 NH1 ARG A 40 5.168 -10.039 -10.950 1.00 0.00 N ATOM 579 NH2 ARG A 40 3.172 -11.160 -11.114 1.00 0.00 N ATOM 0 H ARG A 40 3.202 -6.065 -5.760 1.00 0.00 H new ATOM 0 HA ARG A 40 1.012 -7.600 -6.617 1.00 0.00 H new ATOM 0 HB2 ARG A 40 3.990 -8.196 -6.438 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.841 -9.237 -7.255 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.202 -7.145 -8.647 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.658 -6.417 -7.999 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.277 -7.398 -10.091 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.954 -8.429 -8.846 1.00 0.00 H new ATOM 0 HE ARG A 40 2.319 -9.349 -9.636 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.718 -9.260 -10.588 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.606 -10.736 -11.552 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.183 -11.245 -10.878 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.614 -11.855 -11.715 1.00 0.00 H new ATOM 593 N LYS A 41 2.744 -9.015 -4.168 1.00 0.00 N ATOM 594 CA LYS A 41 2.652 -9.973 -3.072 1.00 0.00 C ATOM 595 C LYS A 41 1.457 -9.663 -2.177 1.00 0.00 C ATOM 596 O LYS A 41 0.793 -10.570 -1.675 1.00 0.00 O ATOM 597 CB LYS A 41 3.940 -9.958 -2.245 1.00 0.00 C ATOM 598 CG LYS A 41 5.196 -10.178 -3.070 1.00 0.00 C ATOM 599 CD LYS A 41 6.397 -9.479 -2.456 1.00 0.00 C ATOM 600 CE LYS A 41 7.040 -10.329 -1.370 1.00 0.00 C ATOM 601 NZ LYS A 41 6.404 -10.106 -0.042 1.00 0.00 N ATOM 0 H LYS A 41 3.666 -8.594 -4.284 1.00 0.00 H new ATOM 0 HA LYS A 41 2.514 -10.966 -3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.018 -9.002 -1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.879 -10.731 -1.479 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.397 -11.246 -3.150 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.037 -9.807 -4.083 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.130 -9.263 -3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.087 -8.522 -2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.960 -11.382 -1.639 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.103 -10.095 -1.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.111 -10.239 0.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.028 -9.137 0.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.628 -10.785 0.090 1.00 0.00 H new ATOM 615 N HIS A 42 1.187 -8.376 -1.982 1.00 0.00 N ATOM 616 CA HIS A 42 0.069 -7.947 -1.149 1.00 0.00 C ATOM 617 C HIS A 42 -1.262 -8.220 -1.843 1.00 0.00 C ATOM 618 O HIS A 42 -2.209 -8.705 -1.223 1.00 0.00 O ATOM 619 CB HIS A 42 0.191 -6.458 -0.823 1.00 0.00 C ATOM 620 CG HIS A 42 -1.129 -5.759 -0.710 1.00 0.00 C ATOM 621 ND1 HIS A 42 -1.773 -5.556 0.492 1.00 0.00 N ATOM 622 CD2 HIS A 42 -1.925 -5.214 -1.659 1.00 0.00 C ATOM 623 CE1 HIS A 42 -2.909 -4.917 0.278 1.00 0.00 C ATOM 624 NE2 HIS A 42 -3.025 -4.697 -1.019 1.00 0.00 N ATOM 0 H HIS A 42 1.727 -7.612 -2.389 1.00 0.00 H new ATOM 0 HA HIS A 42 0.099 -8.519 -0.221 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.735 -6.343 0.115 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.785 -5.972 -1.597 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -1.426 -5.853 1.404 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.732 -5.190 -2.721 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.622 -4.624 1.035 1.00 0.00 H new ATOM 632 N LYS A 43 -1.327 -7.905 -3.132 1.00 0.00 N ATOM 633 CA LYS A 43 -2.542 -8.116 -3.911 1.00 0.00 C ATOM 634 C LYS A 43 -3.158 -9.476 -3.599 1.00 0.00 C ATOM 635 O LYS A 43 -4.368 -9.589 -3.404 1.00 0.00 O ATOM 636 CB LYS A 43 -2.236 -8.014 -5.407 1.00 0.00 C ATOM 637 CG LYS A 43 -3.463 -8.169 -6.290 1.00 0.00 C ATOM 638 CD LYS A 43 -4.255 -6.875 -6.374 1.00 0.00 C ATOM 639 CE LYS A 43 -5.739 -7.143 -6.576 1.00 0.00 C ATOM 640 NZ LYS A 43 -6.458 -7.284 -5.279 1.00 0.00 N ATOM 0 H LYS A 43 -0.552 -7.503 -3.660 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.259 -7.341 -3.639 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.772 -7.049 -5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.508 -8.780 -5.674 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.157 -8.475 -7.290 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.099 -8.961 -5.895 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.109 -6.298 -5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.878 -6.269 -7.198 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.181 -6.328 -7.150 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.867 -8.052 -7.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.466 -7.466 -5.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.053 -8.078 -4.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.357 -6.407 -4.729 1.00 0.00 H new ATOM 654 N GLU A 44 -2.318 -10.505 -3.552 1.00 0.00 N ATOM 655 CA GLU A 44 -2.782 -11.857 -3.262 1.00 0.00 C ATOM 656 C GLU A 44 -3.600 -11.887 -1.974 1.00 0.00 C ATOM 657 O GLU A 44 -4.566 -12.641 -1.859 1.00 0.00 O ATOM 658 CB GLU A 44 -1.594 -12.815 -3.148 1.00 0.00 C ATOM 659 CG GLU A 44 -1.110 -13.015 -1.722 1.00 0.00 C ATOM 660 CD GLU A 44 0.014 -14.029 -1.625 1.00 0.00 C ATOM 661 OE1 GLU A 44 1.021 -13.868 -2.345 1.00 0.00 O ATOM 662 OE2 GLU A 44 -0.114 -14.983 -0.829 1.00 0.00 O ATOM 0 H GLU A 44 -1.313 -10.429 -3.711 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.420 -12.179 -4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.876 -13.781 -3.566 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.771 -12.434 -3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.769 -12.061 -1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.944 -13.342 -1.101 1.00 0.00 H new ATOM 669 N GLN A 45 -3.204 -11.063 -1.010 1.00 0.00 N ATOM 670 CA GLN A 45 -3.900 -10.996 0.270 1.00 0.00 C ATOM 671 C GLN A 45 -4.433 -9.591 0.528 1.00 0.00 C ATOM 672 O GLN A 45 -4.609 -9.183 1.676 1.00 0.00 O ATOM 673 CB GLN A 45 -2.964 -11.416 1.405 1.00 0.00 C ATOM 674 CG GLN A 45 -2.803 -12.921 1.536 1.00 0.00 C ATOM 675 CD GLN A 45 -2.535 -13.358 2.963 1.00 0.00 C ATOM 676 OE1 GLN A 45 -1.643 -12.831 3.629 1.00 0.00 O ATOM 677 NE2 GLN A 45 -3.308 -14.326 3.441 1.00 0.00 N ATOM 0 H GLN A 45 -2.406 -10.433 -1.090 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.745 -11.683 0.232 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.984 -10.967 1.241 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.345 -11.017 2.345 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.706 -13.412 1.173 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.983 -13.252 0.899 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.035 -14.734 2.854 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.174 -14.661 4.395 1.00 0.00 H new ATOM 686 N CYS A 46 -4.687 -8.854 -0.548 1.00 0.00 N ATOM 687 CA CYS A 46 -5.200 -7.493 -0.440 1.00 0.00 C ATOM 688 C CYS A 46 -6.629 -7.491 0.095 1.00 0.00 C ATOM 689 O CYS A 46 -7.577 -7.770 -0.638 1.00 0.00 O ATOM 690 CB CYS A 46 -5.152 -6.798 -1.802 1.00 0.00 C ATOM 691 SG CYS A 46 -6.164 -5.287 -1.901 1.00 0.00 S ATOM 0 H CYS A 46 -4.546 -9.176 -1.505 1.00 0.00 H new ATOM 0 HA CYS A 46 -4.568 -6.948 0.261 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.117 -6.545 -2.033 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.487 -7.498 -2.567 1.00 0.00 H new ATOM 696 N ASN A 47 -6.775 -7.174 1.377 1.00 0.00 N ATOM 697 CA ASN A 47 -8.088 -7.136 2.011 1.00 0.00 C ATOM 698 C ASN A 47 -8.425 -5.723 2.477 1.00 0.00 C ATOM 699 O ASN A 47 -7.928 -5.244 3.496 1.00 0.00 O ATOM 700 CB ASN A 47 -8.133 -8.101 3.196 1.00 0.00 C ATOM 701 CG ASN A 47 -9.520 -8.671 3.425 1.00 0.00 C ATOM 702 OD1 ASN A 47 -10.520 -7.958 3.328 1.00 0.00 O ATOM 703 ND2 ASN A 47 -9.587 -9.961 3.732 1.00 0.00 N ATOM 0 H ASN A 47 -6.000 -6.940 1.998 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.830 -7.443 1.274 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -7.432 -8.917 3.023 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -7.803 -7.582 4.096 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.493 -10.399 3.898 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.733 -10.514 3.802 1.00 0.00 H new ATOM 710 N PRO A 48 -9.293 -5.040 1.716 1.00 0.00 N ATOM 711 CA PRO A 48 -9.718 -3.673 2.032 1.00 0.00 C ATOM 712 C PRO A 48 -10.607 -3.614 3.269 1.00 0.00 C ATOM 713 O PRO A 48 -11.126 -2.555 3.621 1.00 0.00 O ATOM 714 CB PRO A 48 -10.503 -3.249 0.788 1.00 0.00 C ATOM 715 CG PRO A 48 -10.987 -4.526 0.192 1.00 0.00 C ATOM 716 CD PRO A 48 -9.925 -5.549 0.487 1.00 0.00 C ATOM 0 HA PRO A 48 -8.871 -3.025 2.260 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.334 -2.594 1.049 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.871 -2.700 0.089 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.943 -4.821 0.624 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -11.141 -4.422 -0.882 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.353 -6.541 0.636 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.208 -5.631 -0.330 1.00 0.00 H new ATOM 724 N GLU A 49 -10.777 -4.757 3.925 1.00 0.00 N ATOM 725 CA GLU A 49 -11.605 -4.834 5.123 1.00 0.00 C ATOM 726 C GLU A 49 -10.811 -4.422 6.360 1.00 0.00 C ATOM 727 O GLU A 49 -11.133 -3.432 7.018 1.00 0.00 O ATOM 728 CB GLU A 49 -12.150 -6.252 5.303 1.00 0.00 C ATOM 729 CG GLU A 49 -13.293 -6.589 4.360 1.00 0.00 C ATOM 730 CD GLU A 49 -14.645 -6.187 4.915 1.00 0.00 C ATOM 731 OE1 GLU A 49 -14.713 -5.169 5.635 1.00 0.00 O ATOM 732 OE2 GLU A 49 -15.637 -6.890 4.628 1.00 0.00 O ATOM 0 H GLU A 49 -10.353 -5.642 3.648 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.440 -4.144 5.001 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.341 -6.966 5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.491 -6.374 6.331 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.132 -6.087 3.406 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.290 -7.661 4.160 1.00 0.00 H new ATOM 739 N THR A 50 -9.770 -5.189 6.671 1.00 0.00 N ATOM 740 CA THR A 50 -8.931 -4.906 7.828 1.00 0.00 C ATOM 741 C THR A 50 -7.468 -4.763 7.425 1.00 0.00 C ATOM 742 O THR A 50 -6.717 -5.739 7.421 1.00 0.00 O ATOM 743 CB THR A 50 -9.053 -6.012 8.894 1.00 0.00 C ATOM 744 OG1 THR A 50 -10.419 -6.154 9.299 1.00 0.00 O ATOM 745 CG2 THR A 50 -8.190 -5.692 10.106 1.00 0.00 C ATOM 0 H THR A 50 -9.488 -6.011 6.137 1.00 0.00 H new ATOM 0 HA THR A 50 -9.282 -3.964 8.250 1.00 0.00 H new ATOM 0 HB THR A 50 -8.705 -6.948 8.457 1.00 0.00 H new ATOM 0 HG1 THR A 50 -10.488 -6.860 9.975 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.292 -6.486 10.845 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.147 -5.613 9.799 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.512 -4.747 10.543 1.00 0.00 H new ATOM 753 N SER A 51 -7.069 -3.542 7.086 1.00 0.00 N ATOM 754 CA SER A 51 -5.695 -3.272 6.678 1.00 0.00 C ATOM 755 C SER A 51 -5.431 -1.771 6.618 1.00 0.00 C ATOM 756 O SER A 51 -6.118 -1.036 5.910 1.00 0.00 O ATOM 757 CB SER A 51 -5.412 -3.906 5.315 1.00 0.00 C ATOM 758 OG SER A 51 -4.214 -3.398 4.755 1.00 0.00 O ATOM 0 H SER A 51 -7.678 -2.723 7.086 1.00 0.00 H new ATOM 0 HA SER A 51 -5.029 -3.711 7.421 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.337 -4.988 5.422 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.245 -3.710 4.639 1.00 0.00 H new ATOM 0 HG SER A 51 -4.055 -3.820 3.885 1.00 0.00 H new ATOM 764 N GLY A 52 -4.428 -1.322 7.367 1.00 0.00 N ATOM 765 CA GLY A 52 -4.090 0.089 7.386 1.00 0.00 C ATOM 766 C GLY A 52 -5.186 0.940 7.994 1.00 0.00 C ATOM 767 O GLY A 52 -6.370 0.611 7.920 1.00 0.00 O ATOM 0 H GLY A 52 -3.844 -1.911 7.961 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.169 0.231 7.951 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.895 0.426 6.368 1.00 0.00 H new ATOM 771 N PRO A 53 -4.794 2.064 8.613 1.00 0.00 N ATOM 772 CA PRO A 53 -5.738 2.987 9.250 1.00 0.00 C ATOM 773 C PRO A 53 -6.597 3.731 8.233 1.00 0.00 C ATOM 774 O PRO A 53 -6.092 4.536 7.450 1.00 0.00 O ATOM 775 CB PRO A 53 -4.828 3.964 9.998 1.00 0.00 C ATOM 776 CG PRO A 53 -3.537 3.925 9.255 1.00 0.00 C ATOM 777 CD PRO A 53 -3.400 2.519 8.739 1.00 0.00 C ATOM 0 HA PRO A 53 -6.447 2.466 9.893 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.249 4.969 10.007 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.695 3.665 11.038 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.536 4.644 8.435 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.703 4.185 9.907 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.880 2.491 7.781 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -2.833 1.892 9.427 1.00 0.00 H new ATOM 785 N SER A 54 -7.897 3.457 8.250 1.00 0.00 N ATOM 786 CA SER A 54 -8.826 4.098 7.326 1.00 0.00 C ATOM 787 C SER A 54 -9.720 5.094 8.059 1.00 0.00 C ATOM 788 O SER A 54 -10.520 4.715 8.914 1.00 0.00 O ATOM 789 CB SER A 54 -9.685 3.047 6.622 1.00 0.00 C ATOM 790 OG SER A 54 -8.911 2.279 5.716 1.00 0.00 O ATOM 0 H SER A 54 -8.331 2.795 8.893 1.00 0.00 H new ATOM 0 HA SER A 54 -8.243 4.639 6.580 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.141 2.390 7.363 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.498 3.537 6.086 1.00 0.00 H new ATOM 0 HG SER A 54 -9.483 1.613 5.280 1.00 0.00 H new ATOM 796 N SER A 55 -9.577 6.371 7.717 1.00 0.00 N ATOM 797 CA SER A 55 -10.368 7.423 8.344 1.00 0.00 C ATOM 798 C SER A 55 -11.682 7.632 7.598 1.00 0.00 C ATOM 799 O SER A 55 -12.725 7.865 8.209 1.00 0.00 O ATOM 800 CB SER A 55 -9.576 8.732 8.381 1.00 0.00 C ATOM 801 OG SER A 55 -9.297 9.196 7.071 1.00 0.00 O ATOM 0 H SER A 55 -8.921 6.701 7.009 1.00 0.00 H new ATOM 0 HA SER A 55 -10.595 7.114 9.365 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.142 9.488 8.925 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.643 8.581 8.923 1.00 0.00 H new ATOM 0 HG SER A 55 -8.792 10.034 7.122 1.00 0.00 H new ATOM 807 N GLY A 56 -11.624 7.545 6.273 1.00 0.00 N ATOM 808 CA GLY A 56 -12.816 7.727 5.465 1.00 0.00 C ATOM 809 C GLY A 56 -13.085 9.185 5.149 1.00 0.00 C ATOM 810 O GLY A 56 -12.314 10.043 5.575 1.00 0.00 O ATOM 0 H GLY A 56 -10.773 7.352 5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.709 7.170 4.534 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.674 7.308 5.990 1.00 0.00 H new TER 814 GLY A 56 HETATM 815 ZN ZN A 201 7.972 -1.470 -0.911 1.00 0.00 ZN HETATM 816 ZN ZN A 401 -4.793 -3.593 -1.321 1.00 0.00 ZN