USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 484 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 28 HIS HD1 : A 28 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HD1 : A 56 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 40 MET CE :methyl -133:sc= -1.37 (180deg=-5.82!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 10:sc= 0.13 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 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 34:sc= 0.411 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.716 X(o=-0.72,f=-0.47) USER MOD Single : A 27 TYR OH : rot 180:sc=-0.00492 USER MOD Single : A 39 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.27) USER MOD Single : A 47 MET CE :methyl 141:sc= -0.961 (180deg=-2.99!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.346 K(o=-0.35,f=-3.7!) USER MOD Single : A 65 THR OG1 : rot 27:sc= 0.708 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0188 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.191 11.557 14.418 1.00 0.00 N ATOM 2 CA GLY A 1 14.104 12.569 14.916 1.00 0.00 C ATOM 3 C GLY A 1 15.475 12.478 14.277 1.00 0.00 C ATOM 4 O GLY A 1 16.479 12.305 14.968 1.00 0.00 O ATOM 0 H1 GLY A 1 12.268 11.662 14.886 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.074 11.671 13.391 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.576 10.612 14.620 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.684 13.557 14.728 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.203 12.465 15.997 1.00 0.00 H new ATOM 8 N SER A 2 15.518 12.594 12.954 1.00 0.00 N ATOM 9 CA SER A 2 16.777 12.518 12.220 1.00 0.00 C ATOM 10 C SER A 2 16.753 13.439 11.004 1.00 0.00 C ATOM 11 O SER A 2 17.555 14.366 10.899 1.00 0.00 O ATOM 12 CB SER A 2 17.048 11.079 11.779 1.00 0.00 C ATOM 13 OG SER A 2 17.537 10.298 12.856 1.00 0.00 O ATOM 0 H SER A 2 14.696 12.741 12.368 1.00 0.00 H new ATOM 0 HA SER A 2 17.577 12.843 12.885 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.131 10.635 11.391 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.773 11.075 10.965 1.00 0.00 H new ATOM 0 HG SER A 2 17.452 10.803 13.692 1.00 0.00 H new ATOM 19 N SER A 3 15.827 13.176 10.088 1.00 0.00 N ATOM 20 CA SER A 3 15.700 13.978 8.877 1.00 0.00 C ATOM 21 C SER A 3 14.413 13.636 8.132 1.00 0.00 C ATOM 22 O SER A 3 13.855 12.552 8.297 1.00 0.00 O ATOM 23 CB SER A 3 16.906 13.754 7.963 1.00 0.00 C ATOM 24 OG SER A 3 16.882 14.644 6.861 1.00 0.00 O ATOM 0 H SER A 3 15.153 12.414 10.161 1.00 0.00 H new ATOM 0 HA SER A 3 15.663 15.028 9.168 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.827 13.896 8.529 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.908 12.725 7.604 1.00 0.00 H new ATOM 0 HG SER A 3 17.664 14.482 6.293 1.00 0.00 H new ATOM 30 N GLY A 4 13.946 14.571 7.310 1.00 0.00 N ATOM 31 CA GLY A 4 12.729 14.352 6.551 1.00 0.00 C ATOM 32 C GLY A 4 11.625 15.317 6.934 1.00 0.00 C ATOM 33 O GLY A 4 11.179 15.337 8.082 1.00 0.00 O ATOM 0 H GLY A 4 14.389 15.477 7.156 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.944 14.455 5.487 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.385 13.330 6.709 1.00 0.00 H new ATOM 37 N SER A 5 11.184 16.121 5.973 1.00 0.00 N ATOM 38 CA SER A 5 10.128 17.098 6.217 1.00 0.00 C ATOM 39 C SER A 5 8.790 16.597 5.681 1.00 0.00 C ATOM 40 O SER A 5 8.321 17.046 4.635 1.00 0.00 O ATOM 41 CB SER A 5 10.483 18.436 5.566 1.00 0.00 C ATOM 42 OG SER A 5 9.556 19.443 5.934 1.00 0.00 O ATOM 0 H SER A 5 11.541 16.116 5.018 1.00 0.00 H new ATOM 0 HA SER A 5 10.038 17.239 7.294 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.488 18.735 5.866 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.493 18.325 4.482 1.00 0.00 H new ATOM 0 HG SER A 5 9.805 20.289 5.507 1.00 0.00 H new ATOM 48 N SER A 6 8.181 15.665 6.406 1.00 0.00 N ATOM 49 CA SER A 6 6.899 15.099 6.003 1.00 0.00 C ATOM 50 C SER A 6 7.017 14.390 4.657 1.00 0.00 C ATOM 51 O SER A 6 6.752 14.976 3.608 1.00 0.00 O ATOM 52 CB SER A 6 5.836 16.197 5.922 1.00 0.00 C ATOM 53 OG SER A 6 4.602 15.679 5.458 1.00 0.00 O ATOM 0 H SER A 6 8.555 15.285 7.276 1.00 0.00 H new ATOM 0 HA SER A 6 6.600 14.368 6.754 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.698 16.647 6.905 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.176 16.988 5.254 1.00 0.00 H new ATOM 0 HG SER A 6 3.939 16.400 5.417 1.00 0.00 H new ATOM 59 N GLY A 7 7.418 13.123 4.696 1.00 0.00 N ATOM 60 CA GLY A 7 7.565 12.353 3.475 1.00 0.00 C ATOM 61 C GLY A 7 6.983 10.959 3.595 1.00 0.00 C ATOM 62 O GLY A 7 5.878 10.780 4.108 1.00 0.00 O ATOM 0 H GLY A 7 7.644 12.616 5.552 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.074 12.879 2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.622 12.281 3.219 1.00 0.00 H new ATOM 66 N CYS A 8 7.727 9.966 3.118 1.00 0.00 N ATOM 67 CA CYS A 8 7.279 8.580 3.172 1.00 0.00 C ATOM 68 C CYS A 8 6.697 8.249 4.543 1.00 0.00 C ATOM 69 O CYS A 8 7.060 8.862 5.547 1.00 0.00 O ATOM 70 CB CYS A 8 8.440 7.634 2.856 1.00 0.00 C ATOM 71 SG CYS A 8 7.928 6.050 2.115 1.00 0.00 S ATOM 0 H CYS A 8 8.643 10.096 2.690 1.00 0.00 H new ATOM 0 HA CYS A 8 6.497 8.448 2.424 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.128 8.135 2.176 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.990 7.432 3.775 1.00 0.00 H new ATOM 76 N ASP A 9 5.794 7.276 4.577 1.00 0.00 N ATOM 77 CA ASP A 9 5.162 6.862 5.824 1.00 0.00 C ATOM 78 C ASP A 9 5.617 5.462 6.226 1.00 0.00 C ATOM 79 O ASP A 9 5.552 5.089 7.397 1.00 0.00 O ATOM 80 CB ASP A 9 3.639 6.896 5.686 1.00 0.00 C ATOM 81 CG ASP A 9 2.943 6.060 6.742 1.00 0.00 C ATOM 82 OD1 ASP A 9 3.038 6.414 7.936 1.00 0.00 O ATOM 83 OD2 ASP A 9 2.304 5.052 6.375 1.00 0.00 O ATOM 0 H ASP A 9 5.483 6.759 3.755 1.00 0.00 H new ATOM 0 HA ASP A 9 5.464 7.561 6.604 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.294 7.927 5.757 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.359 6.534 4.697 1.00 0.00 H new ATOM 88 N SER A 10 6.078 4.691 5.246 1.00 0.00 N ATOM 89 CA SER A 10 6.540 3.331 5.496 1.00 0.00 C ATOM 90 C SER A 10 7.946 3.335 6.088 1.00 0.00 C ATOM 91 O SER A 10 8.228 2.622 7.051 1.00 0.00 O ATOM 92 CB SER A 10 6.521 2.517 4.200 1.00 0.00 C ATOM 93 OG SER A 10 6.534 1.127 4.471 1.00 0.00 O ATOM 0 H SER A 10 6.141 4.985 4.271 1.00 0.00 H new ATOM 0 HA SER A 10 5.864 2.870 6.216 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.633 2.770 3.621 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.385 2.780 3.589 1.00 0.00 H new ATOM 0 HG SER A 10 6.520 0.629 3.627 1.00 0.00 H new ATOM 99 N CYS A 11 8.825 4.142 5.503 1.00 0.00 N ATOM 100 CA CYS A 11 10.202 4.240 5.970 1.00 0.00 C ATOM 101 C CYS A 11 10.437 5.560 6.699 1.00 0.00 C ATOM 102 O CYS A 11 11.414 5.710 7.431 1.00 0.00 O ATOM 103 CB CYS A 11 11.172 4.114 4.794 1.00 0.00 C ATOM 104 SG CYS A 11 11.096 5.502 3.616 1.00 0.00 S ATOM 0 H CYS A 11 8.607 4.738 4.704 1.00 0.00 H new ATOM 0 HA CYS A 11 10.381 3.423 6.669 1.00 0.00 H new ATOM 0 HB2 CYS A 11 12.188 4.035 5.181 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.962 3.187 4.261 1.00 0.00 H new ATOM 109 N GLU A 12 9.533 6.513 6.491 1.00 0.00 N ATOM 110 CA GLU A 12 9.643 7.820 7.128 1.00 0.00 C ATOM 111 C GLU A 12 10.863 8.577 6.611 1.00 0.00 C ATOM 112 O GLU A 12 11.581 9.219 7.377 1.00 0.00 O ATOM 113 CB GLU A 12 9.731 7.666 8.648 1.00 0.00 C ATOM 114 CG GLU A 12 8.573 6.887 9.249 1.00 0.00 C ATOM 115 CD GLU A 12 8.912 6.289 10.601 1.00 0.00 C ATOM 116 OE1 GLU A 12 9.459 5.167 10.632 1.00 0.00 O ATOM 117 OE2 GLU A 12 8.630 6.943 11.627 1.00 0.00 O ATOM 0 H GLU A 12 8.718 6.404 5.887 1.00 0.00 H new ATOM 0 HA GLU A 12 8.750 8.393 6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.665 7.164 8.900 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.767 8.656 9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.711 7.547 9.353 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.283 6.089 8.565 1.00 0.00 H new ATOM 124 N LYS A 13 11.093 8.495 5.305 1.00 0.00 N ATOM 125 CA LYS A 13 12.225 9.171 4.682 1.00 0.00 C ATOM 126 C LYS A 13 11.756 10.112 3.578 1.00 0.00 C ATOM 127 O LYS A 13 10.947 9.735 2.729 1.00 0.00 O ATOM 128 CB LYS A 13 13.206 8.145 4.111 1.00 0.00 C ATOM 129 CG LYS A 13 13.821 7.239 5.163 1.00 0.00 C ATOM 130 CD LYS A 13 15.317 7.075 4.953 1.00 0.00 C ATOM 131 CE LYS A 13 15.621 6.364 3.644 1.00 0.00 C ATOM 132 NZ LYS A 13 17.080 6.356 3.343 1.00 0.00 N ATOM 0 H LYS A 13 10.510 7.966 4.657 1.00 0.00 H new ATOM 0 HA LYS A 13 12.730 9.761 5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.688 7.532 3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.003 8.671 3.586 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.635 7.653 6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.339 6.262 5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 13 15.795 8.054 4.956 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.742 6.510 5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.255 5.339 3.694 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.085 6.854 2.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 17.246 5.862 2.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 17.425 7.334 3.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 17.589 5.866 4.106 1.00 0.00 H new ATOM 146 N TYR A 14 12.269 11.337 3.593 1.00 0.00 N ATOM 147 CA TYR A 14 11.902 12.333 2.593 1.00 0.00 C ATOM 148 C TYR A 14 11.828 11.707 1.203 1.00 0.00 C ATOM 149 O TYR A 14 12.655 10.869 0.843 1.00 0.00 O ATOM 150 CB TYR A 14 12.910 13.483 2.594 1.00 0.00 C ATOM 151 CG TYR A 14 12.415 14.722 1.881 1.00 0.00 C ATOM 152 CD1 TYR A 14 11.395 15.496 2.420 1.00 0.00 C ATOM 153 CD2 TYR A 14 12.967 15.117 0.669 1.00 0.00 C ATOM 154 CE1 TYR A 14 10.940 16.629 1.772 1.00 0.00 C ATOM 155 CE2 TYR A 14 12.519 16.248 0.015 1.00 0.00 C ATOM 156 CZ TYR A 14 11.506 17.000 0.571 1.00 0.00 C ATOM 157 OH TYR A 14 11.056 18.127 -0.078 1.00 0.00 O ATOM 0 H TYR A 14 12.941 11.665 4.287 1.00 0.00 H new ATOM 0 HA TYR A 14 10.917 12.723 2.849 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.154 13.740 3.625 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.833 13.147 2.122 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.950 15.208 3.361 1.00 0.00 H new ATOM 0 HD2 TYR A 14 13.760 14.530 0.231 1.00 0.00 H new ATOM 0 HE1 TYR A 14 10.146 17.220 2.204 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.960 16.542 -0.926 1.00 0.00 H new ATOM 0 HH TYR A 14 11.560 18.249 -0.910 1.00 0.00 H new ATOM 167 N ILE A 15 10.832 12.121 0.428 1.00 0.00 N ATOM 168 CA ILE A 15 10.650 11.604 -0.923 1.00 0.00 C ATOM 169 C ILE A 15 11.067 12.634 -1.967 1.00 0.00 C ATOM 170 O ILE A 15 10.692 13.804 -1.885 1.00 0.00 O ATOM 171 CB ILE A 15 9.187 11.194 -1.177 1.00 0.00 C ATOM 172 CG1 ILE A 15 8.611 10.490 0.053 1.00 0.00 C ATOM 173 CG2 ILE A 15 9.094 10.296 -2.401 1.00 0.00 C ATOM 174 CD1 ILE A 15 7.100 10.520 0.114 1.00 0.00 C ATOM 0 H ILE A 15 10.138 12.813 0.712 1.00 0.00 H new ATOM 0 HA ILE A 15 11.286 10.723 -1.012 1.00 0.00 H new ATOM 0 HB ILE A 15 8.600 12.093 -1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.946 9.453 0.058 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.012 10.959 0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.054 10.015 -2.568 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.470 10.830 -3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.691 9.399 -2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.762 10.003 1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.757 11.554 0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.690 10.025 -0.766 1.00 0.00 H new ATOM 186 N THR A 16 11.844 12.191 -2.951 1.00 0.00 N ATOM 187 CA THR A 16 12.311 13.074 -4.012 1.00 0.00 C ATOM 188 C THR A 16 11.613 12.764 -5.331 1.00 0.00 C ATOM 189 O THR A 16 11.647 11.632 -5.813 1.00 0.00 O ATOM 190 CB THR A 16 13.834 12.957 -4.210 1.00 0.00 C ATOM 191 OG1 THR A 16 14.180 11.613 -4.566 1.00 0.00 O ATOM 192 CG2 THR A 16 14.577 13.359 -2.945 1.00 0.00 C ATOM 0 H THR A 16 12.163 11.226 -3.035 1.00 0.00 H new ATOM 0 HA THR A 16 12.069 14.092 -3.706 1.00 0.00 H new ATOM 0 HB THR A 16 14.126 13.632 -5.014 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.463 11.224 -5.110 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.651 13.268 -3.109 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.334 14.391 -2.693 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.279 12.706 -2.125 1.00 0.00 H new ATOM 200 N GLY A 17 10.980 13.779 -5.913 1.00 0.00 N ATOM 201 CA GLY A 17 10.283 13.594 -7.173 1.00 0.00 C ATOM 202 C GLY A 17 8.831 13.205 -6.980 1.00 0.00 C ATOM 203 O GLY A 17 8.166 13.695 -6.068 1.00 0.00 O ATOM 0 H GLY A 17 10.938 14.725 -5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.335 14.516 -7.752 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.788 12.823 -7.755 1.00 0.00 H new ATOM 207 N ARG A 18 8.337 12.323 -7.843 1.00 0.00 N ATOM 208 CA ARG A 18 6.953 11.870 -7.765 1.00 0.00 C ATOM 209 C ARG A 18 6.751 10.942 -6.571 1.00 0.00 C ATOM 210 O ARG A 18 7.633 10.156 -6.226 1.00 0.00 O ATOM 211 CB ARG A 18 6.556 11.152 -9.056 1.00 0.00 C ATOM 212 CG ARG A 18 6.531 12.060 -10.275 1.00 0.00 C ATOM 213 CD ARG A 18 6.839 11.289 -11.550 1.00 0.00 C ATOM 214 NE ARG A 18 7.678 12.059 -12.465 1.00 0.00 N ATOM 215 CZ ARG A 18 9.002 12.113 -12.379 1.00 0.00 C ATOM 216 NH1 ARG A 18 9.636 11.445 -11.425 1.00 0.00 N ATOM 217 NH2 ARG A 18 9.696 12.835 -13.250 1.00 0.00 N ATOM 0 H ARG A 18 8.874 11.908 -8.604 1.00 0.00 H new ATOM 0 HA ARG A 18 6.317 12.746 -7.634 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.254 10.335 -9.237 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.570 10.706 -8.925 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.551 12.530 -10.360 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.259 12.861 -10.148 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.341 10.355 -11.297 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.906 11.025 -12.048 1.00 0.00 H new ATOM 0 HE ARG A 18 7.222 12.584 -13.211 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.107 10.888 -10.755 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.653 11.488 -11.362 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.212 13.349 -13.986 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.713 12.876 -13.183 1.00 0.00 H new ATOM 231 N VAL A 19 5.583 11.040 -5.944 1.00 0.00 N ATOM 232 CA VAL A 19 5.264 10.209 -4.789 1.00 0.00 C ATOM 233 C VAL A 19 3.958 9.451 -5.001 1.00 0.00 C ATOM 234 O VAL A 19 3.067 9.914 -5.714 1.00 0.00 O ATOM 235 CB VAL A 19 5.152 11.052 -3.505 1.00 0.00 C ATOM 236 CG1 VAL A 19 6.345 11.986 -3.374 1.00 0.00 C ATOM 237 CG2 VAL A 19 3.848 11.835 -3.494 1.00 0.00 C ATOM 0 H VAL A 19 4.842 11.686 -6.216 1.00 0.00 H new ATOM 0 HA VAL A 19 6.081 9.496 -4.677 1.00 0.00 H new ATOM 0 HB VAL A 19 5.152 10.379 -2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.249 12.574 -2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.263 11.400 -3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.380 12.655 -4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.786 12.425 -2.580 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.815 12.499 -4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.007 11.142 -3.537 1.00 0.00 H new ATOM 247 N LEU A 20 3.852 8.282 -4.378 1.00 0.00 N ATOM 248 CA LEU A 20 2.654 7.458 -4.498 1.00 0.00 C ATOM 249 C LEU A 20 1.579 7.914 -3.516 1.00 0.00 C ATOM 250 O LEU A 20 1.740 7.785 -2.302 1.00 0.00 O ATOM 251 CB LEU A 20 2.996 5.988 -4.252 1.00 0.00 C ATOM 252 CG LEU A 20 3.616 5.237 -5.430 1.00 0.00 C ATOM 253 CD1 LEU A 20 4.362 4.004 -4.944 1.00 0.00 C ATOM 254 CD2 LEU A 20 2.545 4.851 -6.440 1.00 0.00 C ATOM 0 H LEU A 20 4.580 7.884 -3.785 1.00 0.00 H new ATOM 0 HA LEU A 20 2.266 7.569 -5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.684 5.932 -3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.085 5.469 -3.955 1.00 0.00 H new ATOM 0 HG LEU A 20 4.330 5.898 -5.922 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.797 3.482 -5.797 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.155 4.305 -4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.669 3.340 -4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.005 4.317 -7.272 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.807 4.208 -5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.055 5.751 -6.813 1.00 0.00 H new ATOM 266 N GLU A 21 0.483 8.444 -4.049 1.00 0.00 N ATOM 267 CA GLU A 21 -0.618 8.917 -3.218 1.00 0.00 C ATOM 268 C GLU A 21 -1.781 7.930 -3.244 1.00 0.00 C ATOM 269 O GLU A 21 -2.359 7.663 -4.298 1.00 0.00 O ATOM 270 CB GLU A 21 -1.091 10.292 -3.694 1.00 0.00 C ATOM 271 CG GLU A 21 -1.635 10.292 -5.112 1.00 0.00 C ATOM 272 CD GLU A 21 -3.119 9.986 -5.167 1.00 0.00 C ATOM 273 OE1 GLU A 21 -3.884 10.620 -4.410 1.00 0.00 O ATOM 274 OE2 GLU A 21 -3.516 9.113 -5.967 1.00 0.00 O ATOM 0 H GLU A 21 0.334 8.557 -5.052 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.257 9.000 -2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.865 10.655 -3.017 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.259 10.994 -3.633 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.451 11.265 -5.568 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.094 9.555 -5.705 1.00 0.00 H new ATOM 281 N ALA A 22 -2.119 7.392 -2.077 1.00 0.00 N ATOM 282 CA ALA A 22 -3.214 6.436 -1.965 1.00 0.00 C ATOM 283 C ALA A 22 -4.134 6.789 -0.802 1.00 0.00 C ATOM 284 O ALA A 22 -3.879 6.411 0.341 1.00 0.00 O ATOM 285 CB ALA A 22 -2.668 5.025 -1.799 1.00 0.00 C ATOM 0 H ALA A 22 -1.650 7.602 -1.196 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.799 6.482 -2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.497 4.322 -1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.058 4.767 -2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.058 4.975 -0.897 1.00 0.00 H new ATOM 291 N GLY A 23 -5.206 7.517 -1.100 1.00 0.00 N ATOM 292 CA GLY A 23 -6.147 7.910 -0.068 1.00 0.00 C ATOM 293 C GLY A 23 -5.812 9.257 0.540 1.00 0.00 C ATOM 294 O GLY A 23 -6.542 10.229 0.351 1.00 0.00 O ATOM 0 H GLY A 23 -5.439 7.842 -2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.151 7.945 -0.491 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.158 7.153 0.717 1.00 0.00 H new ATOM 298 N GLU A 24 -4.705 9.315 1.274 1.00 0.00 N ATOM 299 CA GLU A 24 -4.276 10.553 1.914 1.00 0.00 C ATOM 300 C GLU A 24 -2.876 10.405 2.503 1.00 0.00 C ATOM 301 O GLU A 24 -2.545 11.029 3.511 1.00 0.00 O ATOM 302 CB GLU A 24 -5.264 10.953 3.013 1.00 0.00 C ATOM 303 CG GLU A 24 -5.327 9.964 4.164 1.00 0.00 C ATOM 304 CD GLU A 24 -6.615 9.164 4.177 1.00 0.00 C ATOM 305 OE1 GLU A 24 -7.695 9.783 4.277 1.00 0.00 O ATOM 306 OE2 GLU A 24 -6.543 7.921 4.088 1.00 0.00 O ATOM 0 H GLU A 24 -4.089 8.519 1.440 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.251 11.335 1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.985 11.932 3.402 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.258 11.054 2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.480 9.281 4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.229 10.503 5.107 1.00 0.00 H new ATOM 313 N LYS A 25 -2.058 9.574 1.866 1.00 0.00 N ATOM 314 CA LYS A 25 -0.693 9.343 2.324 1.00 0.00 C ATOM 315 C LYS A 25 0.290 9.405 1.159 1.00 0.00 C ATOM 316 O LYS A 25 -0.106 9.603 0.010 1.00 0.00 O ATOM 317 CB LYS A 25 -0.590 7.984 3.020 1.00 0.00 C ATOM 318 CG LYS A 25 -1.276 7.941 4.374 1.00 0.00 C ATOM 319 CD LYS A 25 -0.272 7.772 5.503 1.00 0.00 C ATOM 320 CE LYS A 25 0.461 9.073 5.795 1.00 0.00 C ATOM 321 NZ LYS A 25 -0.200 9.850 6.879 1.00 0.00 N ATOM 0 H LYS A 25 -2.317 9.049 1.031 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.437 10.129 3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.028 7.221 2.376 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.462 7.729 3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.843 8.859 4.525 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.990 7.118 4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.787 7.433 6.402 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.449 6.998 5.238 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.490 8.854 6.081 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.503 9.677 4.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.329 10.729 7.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.174 10.081 6.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.218 9.283 7.751 1.00 0.00 H new ATOM 335 N HIS A 26 1.572 9.234 1.463 1.00 0.00 N ATOM 336 CA HIS A 26 2.611 9.269 0.440 1.00 0.00 C ATOM 337 C HIS A 26 3.726 8.278 0.763 1.00 0.00 C ATOM 338 O HIS A 26 4.163 8.173 1.910 1.00 0.00 O ATOM 339 CB HIS A 26 3.188 10.679 0.316 1.00 0.00 C ATOM 340 CG HIS A 26 2.144 11.753 0.299 1.00 0.00 C ATOM 341 ND1 HIS A 26 1.910 12.593 1.368 1.00 0.00 N ATOM 342 CD2 HIS A 26 1.270 12.124 -0.666 1.00 0.00 C ATOM 343 CE1 HIS A 26 0.937 13.432 1.061 1.00 0.00 C ATOM 344 NE2 HIS A 26 0.532 13.168 -0.168 1.00 0.00 N ATOM 0 H HIS A 26 1.917 9.070 2.409 1.00 0.00 H new ATOM 0 HA HIS A 26 2.159 8.984 -0.510 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.869 10.859 1.148 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.778 10.742 -0.598 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.172 11.681 -1.646 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.540 14.203 1.705 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.209 13.660 -0.666 1.00 0.00 H new ATOM 352 N TYR A 27 4.180 7.554 -0.253 1.00 0.00 N ATOM 353 CA TYR A 27 5.241 6.569 -0.076 1.00 0.00 C ATOM 354 C TYR A 27 6.215 6.601 -1.249 1.00 0.00 C ATOM 355 O TYR A 27 5.947 7.223 -2.278 1.00 0.00 O ATOM 356 CB TYR A 27 4.646 5.167 0.069 1.00 0.00 C ATOM 357 CG TYR A 27 3.414 5.120 0.945 1.00 0.00 C ATOM 358 CD1 TYR A 27 3.523 4.959 2.321 1.00 0.00 C ATOM 359 CD2 TYR A 27 2.143 5.235 0.397 1.00 0.00 C ATOM 360 CE1 TYR A 27 2.401 4.915 3.126 1.00 0.00 C ATOM 361 CE2 TYR A 27 1.015 5.193 1.195 1.00 0.00 C ATOM 362 CZ TYR A 27 1.149 5.033 2.558 1.00 0.00 C ATOM 363 OH TYR A 27 0.028 4.989 3.355 1.00 0.00 O ATOM 0 H TYR A 27 3.830 7.630 -1.208 1.00 0.00 H new ATOM 0 HA TYR A 27 5.787 6.820 0.833 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.393 4.785 -0.920 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.403 4.501 0.484 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.501 4.867 2.769 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.034 5.359 -0.670 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.503 4.789 4.194 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.034 5.285 0.753 1.00 0.00 H new ATOM 0 HH TYR A 27 -0.773 5.088 2.799 1.00 0.00 H new ATOM 373 N HIS A 28 7.349 5.925 -1.088 1.00 0.00 N ATOM 374 CA HIS A 28 8.364 5.874 -2.134 1.00 0.00 C ATOM 375 C HIS A 28 7.870 5.069 -3.332 1.00 0.00 C ATOM 376 O HIS A 28 6.910 4.304 -3.243 1.00 0.00 O ATOM 377 CB HIS A 28 9.656 5.262 -1.590 1.00 0.00 C ATOM 378 CG HIS A 28 10.598 6.270 -1.008 1.00 0.00 C ATOM 379 ND1 HIS A 28 11.071 6.198 0.285 1.00 0.00 N ATOM 380 CD2 HIS A 28 11.156 7.377 -1.551 1.00 0.00 C ATOM 381 CE1 HIS A 28 11.879 7.219 0.513 1.00 0.00 C ATOM 382 NE2 HIS A 28 11.948 7.949 -0.586 1.00 0.00 N ATOM 0 H HIS A 28 7.588 5.405 -0.243 1.00 0.00 H new ATOM 0 HA HIS A 28 8.564 6.894 -2.462 1.00 0.00 H new ATOM 0 HB2 HIS A 28 9.406 4.527 -0.825 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.161 4.727 -2.394 1.00 0.00 H new ATOM 0 HD2 HIS A 28 11.006 7.742 -2.556 1.00 0.00 H new ATOM 0 HE1 HIS A 28 12.395 7.422 1.440 1.00 0.00 H new ATOM 0 HE2 HIS A 28 12.500 8.799 -0.699 1.00 0.00 H new ATOM 390 N PRO A 29 8.540 5.245 -4.480 1.00 0.00 N ATOM 391 CA PRO A 29 8.186 4.544 -5.718 1.00 0.00 C ATOM 392 C PRO A 29 8.500 3.053 -5.650 1.00 0.00 C ATOM 393 O PRO A 29 8.323 2.326 -6.627 1.00 0.00 O ATOM 394 CB PRO A 29 9.060 5.226 -6.774 1.00 0.00 C ATOM 395 CG PRO A 29 10.224 5.762 -6.014 1.00 0.00 C ATOM 396 CD PRO A 29 9.694 6.142 -4.659 1.00 0.00 C ATOM 0 HA PRO A 29 7.118 4.601 -5.927 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.379 4.519 -7.540 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.518 6.024 -7.282 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.012 5.014 -5.929 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.657 6.625 -6.520 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.442 5.995 -3.880 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.397 7.190 -4.623 1.00 0.00 H new ATOM 404 N SER A 30 8.966 2.604 -4.489 1.00 0.00 N ATOM 405 CA SER A 30 9.308 1.200 -4.294 1.00 0.00 C ATOM 406 C SER A 30 8.753 0.684 -2.970 1.00 0.00 C ATOM 407 O SER A 30 8.342 -0.472 -2.863 1.00 0.00 O ATOM 408 CB SER A 30 10.826 1.012 -4.332 1.00 0.00 C ATOM 409 OG SER A 30 11.265 0.668 -5.634 1.00 0.00 O ATOM 0 H SER A 30 9.115 3.192 -3.669 1.00 0.00 H new ATOM 0 HA SER A 30 8.858 0.627 -5.105 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.317 1.930 -4.010 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.117 0.231 -3.629 1.00 0.00 H new ATOM 0 HG SER A 30 12.238 0.555 -5.632 1.00 0.00 H new ATOM 415 N CYS A 31 8.743 1.550 -1.962 1.00 0.00 N ATOM 416 CA CYS A 31 8.239 1.185 -0.644 1.00 0.00 C ATOM 417 C CYS A 31 6.829 0.611 -0.740 1.00 0.00 C ATOM 418 O CYS A 31 6.528 -0.425 -0.148 1.00 0.00 O ATOM 419 CB CYS A 31 8.244 2.403 0.282 1.00 0.00 C ATOM 420 SG CYS A 31 9.872 2.781 1.006 1.00 0.00 S ATOM 0 H CYS A 31 9.079 2.511 -2.033 1.00 0.00 H new ATOM 0 HA CYS A 31 8.896 0.420 -0.231 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.896 3.272 -0.277 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.530 2.236 1.088 1.00 0.00 H new ATOM 425 N ALA A 32 5.969 1.291 -1.491 1.00 0.00 N ATOM 426 CA ALA A 32 4.592 0.848 -1.667 1.00 0.00 C ATOM 427 C ALA A 32 4.470 -0.113 -2.845 1.00 0.00 C ATOM 428 O ALA A 32 4.760 0.248 -3.986 1.00 0.00 O ATOM 429 CB ALA A 32 3.673 2.045 -1.864 1.00 0.00 C ATOM 0 H ALA A 32 6.202 2.151 -1.987 1.00 0.00 H new ATOM 0 HA ALA A 32 4.290 0.316 -0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.648 1.699 -1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.729 2.694 -0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.984 2.600 -2.749 1.00 0.00 H new ATOM 435 N LEU A 33 4.042 -1.338 -2.561 1.00 0.00 N ATOM 436 CA LEU A 33 3.883 -2.352 -3.597 1.00 0.00 C ATOM 437 C LEU A 33 2.581 -3.124 -3.409 1.00 0.00 C ATOM 438 O LEU A 33 2.297 -3.628 -2.321 1.00 0.00 O ATOM 439 CB LEU A 33 5.069 -3.318 -3.579 1.00 0.00 C ATOM 440 CG LEU A 33 6.457 -2.677 -3.618 1.00 0.00 C ATOM 441 CD1 LEU A 33 7.539 -3.739 -3.490 1.00 0.00 C ATOM 442 CD2 LEU A 33 6.640 -1.879 -4.901 1.00 0.00 C ATOM 0 H LEU A 33 3.799 -1.653 -1.622 1.00 0.00 H new ATOM 0 HA LEU A 33 3.848 -1.847 -4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.999 -3.931 -2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.977 -3.991 -4.432 1.00 0.00 H new ATOM 0 HG LEU A 33 6.545 -1.994 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.520 -3.265 -3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.420 -4.267 -2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.453 -4.447 -4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.633 -1.430 -4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.532 -2.541 -5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.886 -1.093 -4.952 1.00 0.00 H new ATOM 454 N CYS A 34 1.793 -3.215 -4.475 1.00 0.00 N ATOM 455 CA CYS A 34 0.522 -3.927 -4.428 1.00 0.00 C ATOM 456 C CYS A 34 0.648 -5.213 -3.616 1.00 0.00 C ATOM 457 O CYS A 34 1.140 -6.227 -4.112 1.00 0.00 O ATOM 458 CB CYS A 34 0.042 -4.250 -5.845 1.00 0.00 C ATOM 459 SG CYS A 34 -1.431 -5.319 -5.905 1.00 0.00 S ATOM 0 H CYS A 34 2.013 -2.804 -5.382 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.210 -3.282 -3.942 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.178 -3.317 -6.364 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.852 -4.735 -6.390 1.00 0.00 H new ATOM 464 N VAL A 35 0.199 -5.163 -2.366 1.00 0.00 N ATOM 465 CA VAL A 35 0.260 -6.324 -1.485 1.00 0.00 C ATOM 466 C VAL A 35 -0.065 -7.606 -2.243 1.00 0.00 C ATOM 467 O VAL A 35 0.567 -8.641 -2.032 1.00 0.00 O ATOM 468 CB VAL A 35 -0.712 -6.180 -0.300 1.00 0.00 C ATOM 469 CG1 VAL A 35 -0.495 -4.853 0.412 1.00 0.00 C ATOM 470 CG2 VAL A 35 -2.152 -6.310 -0.774 1.00 0.00 C ATOM 0 H VAL A 35 -0.211 -4.332 -1.940 1.00 0.00 H new ATOM 0 HA VAL A 35 1.280 -6.380 -1.104 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.512 -6.983 0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.191 -4.770 1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.528 -4.804 0.786 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.666 -4.033 -0.286 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.826 -6.206 0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.366 -5.530 -1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.297 -7.288 -1.234 1.00 0.00 H new ATOM 480 N ARG A 36 -1.055 -7.530 -3.126 1.00 0.00 N ATOM 481 CA ARG A 36 -1.465 -8.686 -3.915 1.00 0.00 C ATOM 482 C ARG A 36 -0.298 -9.225 -4.737 1.00 0.00 C ATOM 483 O ARG A 36 0.266 -10.273 -4.421 1.00 0.00 O ATOM 484 CB ARG A 36 -2.624 -8.312 -4.841 1.00 0.00 C ATOM 485 CG ARG A 36 -3.366 -9.514 -5.403 1.00 0.00 C ATOM 486 CD ARG A 36 -4.812 -9.547 -4.931 1.00 0.00 C ATOM 487 NE ARG A 36 -5.261 -10.905 -4.638 1.00 0.00 N ATOM 488 CZ ARG A 36 -5.454 -11.832 -5.569 1.00 0.00 C ATOM 489 NH1 ARG A 36 -5.238 -11.549 -6.846 1.00 0.00 N ATOM 490 NH2 ARG A 36 -5.864 -13.046 -5.224 1.00 0.00 N ATOM 0 H ARG A 36 -1.588 -6.681 -3.313 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.794 -9.465 -3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.327 -7.685 -4.294 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.240 -7.714 -5.667 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.338 -9.483 -6.492 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.861 -10.430 -5.097 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.916 -8.930 -4.038 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.453 -9.110 -5.697 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.436 -11.155 -3.665 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.923 -10.617 -7.116 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.387 -12.263 -7.559 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.031 -13.268 -4.243 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.012 -13.757 -5.940 1.00 0.00 H new ATOM 504 N CYS A 37 0.060 -8.501 -5.792 1.00 0.00 N ATOM 505 CA CYS A 37 1.159 -8.906 -6.661 1.00 0.00 C ATOM 506 C CYS A 37 2.468 -8.254 -6.222 1.00 0.00 C ATOM 507 O CYS A 37 3.493 -8.922 -6.091 1.00 0.00 O ATOM 508 CB CYS A 37 0.853 -8.535 -8.113 1.00 0.00 C ATOM 509 SG CYS A 37 0.663 -6.745 -8.398 1.00 0.00 S ATOM 0 H CYS A 37 -0.395 -7.630 -6.066 1.00 0.00 H new ATOM 0 HA CYS A 37 1.269 -9.988 -6.586 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.654 -8.911 -8.750 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.062 -9.040 -8.421 1.00 0.00 H new ATOM 514 N GLY A 38 2.423 -6.945 -5.996 1.00 0.00 N ATOM 515 CA GLY A 38 3.610 -6.224 -5.575 1.00 0.00 C ATOM 516 C GLY A 38 4.294 -5.511 -6.724 1.00 0.00 C ATOM 517 O GLY A 38 5.519 -5.389 -6.746 1.00 0.00 O ATOM 0 H GLY A 38 1.586 -6.371 -6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.337 -5.496 -4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.311 -6.921 -5.115 1.00 0.00 H new ATOM 521 N GLN A 39 3.502 -5.040 -7.682 1.00 0.00 N ATOM 522 CA GLN A 39 4.039 -4.337 -8.841 1.00 0.00 C ATOM 523 C GLN A 39 3.917 -2.827 -8.666 1.00 0.00 C ATOM 524 O GLN A 39 2.847 -2.315 -8.340 1.00 0.00 O ATOM 525 CB GLN A 39 3.312 -4.776 -10.112 1.00 0.00 C ATOM 526 CG GLN A 39 3.560 -6.229 -10.485 1.00 0.00 C ATOM 527 CD GLN A 39 5.033 -6.546 -10.648 1.00 0.00 C ATOM 528 OE1 GLN A 39 5.545 -7.496 -10.054 1.00 0.00 O ATOM 529 NE2 GLN A 39 5.725 -5.750 -11.455 1.00 0.00 N ATOM 0 H GLN A 39 2.486 -5.133 -7.678 1.00 0.00 H new ATOM 0 HA GLN A 39 5.096 -4.590 -8.930 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.241 -4.621 -9.980 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.626 -4.139 -10.939 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.136 -6.875 -9.716 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.038 -6.456 -11.415 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.261 -4.974 -11.927 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.721 -5.914 -11.603 1.00 0.00 H new ATOM 538 N MET A 40 5.020 -2.120 -8.886 1.00 0.00 N ATOM 539 CA MET A 40 5.036 -0.667 -8.754 1.00 0.00 C ATOM 540 C MET A 40 3.903 -0.036 -9.557 1.00 0.00 C ATOM 541 O MET A 40 3.261 -0.700 -10.371 1.00 0.00 O ATOM 542 CB MET A 40 6.381 -0.106 -9.219 1.00 0.00 C ATOM 543 CG MET A 40 7.500 -0.294 -8.209 1.00 0.00 C ATOM 544 SD MET A 40 8.442 -1.806 -8.489 1.00 0.00 S ATOM 545 CE MET A 40 9.247 -2.003 -6.901 1.00 0.00 C ATOM 0 H MET A 40 5.914 -2.529 -9.156 1.00 0.00 H new ATOM 0 HA MET A 40 4.893 -0.421 -7.702 1.00 0.00 H new ATOM 0 HB2 MET A 40 6.663 -0.589 -10.155 1.00 0.00 H new ATOM 0 HB3 MET A 40 6.268 0.957 -9.430 1.00 0.00 H new ATOM 0 HG2 MET A 40 8.173 0.562 -8.255 1.00 0.00 H new ATOM 0 HG3 MET A 40 7.078 -0.314 -7.204 1.00 0.00 H new ATOM 0 HE1 MET A 40 10.305 -2.219 -7.053 1.00 0.00 H new ATOM 0 HE2 MET A 40 9.144 -1.084 -6.324 1.00 0.00 H new ATOM 0 HE3 MET A 40 8.783 -2.826 -6.358 1.00 0.00 H new ATOM 555 N PHE A 41 3.662 1.249 -9.322 1.00 0.00 N ATOM 556 CA PHE A 41 2.605 1.969 -10.023 1.00 0.00 C ATOM 557 C PHE A 41 3.160 3.209 -10.718 1.00 0.00 C ATOM 558 O PHE A 41 4.371 3.428 -10.746 1.00 0.00 O ATOM 559 CB PHE A 41 1.498 2.371 -9.046 1.00 0.00 C ATOM 560 CG PHE A 41 1.125 1.282 -8.082 1.00 0.00 C ATOM 561 CD1 PHE A 41 2.029 0.842 -7.129 1.00 0.00 C ATOM 562 CD2 PHE A 41 -0.131 0.697 -8.128 1.00 0.00 C ATOM 563 CE1 PHE A 41 1.689 -0.160 -6.240 1.00 0.00 C ATOM 564 CE2 PHE A 41 -0.477 -0.305 -7.242 1.00 0.00 C ATOM 565 CZ PHE A 41 0.435 -0.735 -6.297 1.00 0.00 C ATOM 0 H PHE A 41 4.184 1.813 -8.652 1.00 0.00 H new ATOM 0 HA PHE A 41 2.188 1.305 -10.781 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.821 3.248 -8.484 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.613 2.663 -9.612 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.012 1.288 -7.080 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.847 1.028 -8.865 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.403 -0.493 -5.502 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.459 -0.752 -7.288 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.167 -1.519 -5.604 1.00 0.00 H new ATOM 575 N ALA A 42 2.265 4.016 -11.278 1.00 0.00 N ATOM 576 CA ALA A 42 2.664 5.235 -11.972 1.00 0.00 C ATOM 577 C ALA A 42 2.635 6.436 -11.033 1.00 0.00 C ATOM 578 O ALA A 42 2.503 6.283 -9.819 1.00 0.00 O ATOM 579 CB ALA A 42 1.761 5.478 -13.172 1.00 0.00 C ATOM 0 H ALA A 42 1.259 3.848 -11.265 1.00 0.00 H new ATOM 0 HA ALA A 42 3.688 5.106 -12.322 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.070 6.391 -13.681 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.836 4.636 -13.860 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.729 5.581 -12.836 1.00 0.00 H new ATOM 585 N GLU A 43 2.761 7.630 -11.603 1.00 0.00 N ATOM 586 CA GLU A 43 2.751 8.857 -10.815 1.00 0.00 C ATOM 587 C GLU A 43 1.371 9.508 -10.840 1.00 0.00 C ATOM 588 O GLU A 43 1.250 10.730 -10.919 1.00 0.00 O ATOM 589 CB GLU A 43 3.799 9.838 -11.344 1.00 0.00 C ATOM 590 CG GLU A 43 3.422 10.475 -12.671 1.00 0.00 C ATOM 591 CD GLU A 43 3.831 11.933 -12.755 1.00 0.00 C ATOM 592 OE1 GLU A 43 3.572 12.678 -11.786 1.00 0.00 O ATOM 593 OE2 GLU A 43 4.410 12.329 -13.788 1.00 0.00 O ATOM 0 H GLU A 43 2.871 7.774 -12.607 1.00 0.00 H new ATOM 0 HA GLU A 43 2.994 8.598 -9.784 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.955 10.624 -10.605 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.749 9.315 -11.458 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.894 9.922 -13.483 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.345 10.395 -12.815 1.00 0.00 H new ATOM 600 N GLY A 44 0.331 8.681 -10.774 1.00 0.00 N ATOM 601 CA GLY A 44 -1.026 9.194 -10.791 1.00 0.00 C ATOM 602 C GLY A 44 -2.039 8.140 -11.194 1.00 0.00 C ATOM 603 O GLY A 44 -2.945 8.410 -11.981 1.00 0.00 O ATOM 0 H GLY A 44 0.405 7.666 -10.709 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.279 9.577 -9.802 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.085 10.034 -11.483 1.00 0.00 H new ATOM 607 N GLU A 45 -1.884 6.935 -10.654 1.00 0.00 N ATOM 608 CA GLU A 45 -2.791 5.837 -10.964 1.00 0.00 C ATOM 609 C GLU A 45 -3.978 5.825 -10.005 1.00 0.00 C ATOM 610 O GLU A 45 -3.871 6.270 -8.863 1.00 0.00 O ATOM 611 CB GLU A 45 -2.051 4.500 -10.894 1.00 0.00 C ATOM 612 CG GLU A 45 -1.024 4.314 -11.998 1.00 0.00 C ATOM 613 CD GLU A 45 -1.653 4.253 -13.376 1.00 0.00 C ATOM 614 OE1 GLU A 45 -1.910 5.327 -13.959 1.00 0.00 O ATOM 615 OE2 GLU A 45 -1.888 3.131 -13.872 1.00 0.00 O ATOM 0 H GLU A 45 -1.139 6.695 -10.000 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.166 5.984 -11.977 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.552 4.421 -9.928 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.778 3.689 -10.945 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.308 5.136 -11.965 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.464 3.396 -11.817 1.00 0.00 H new ATOM 622 N GLU A 46 -5.109 5.311 -10.480 1.00 0.00 N ATOM 623 CA GLU A 46 -6.317 5.242 -9.665 1.00 0.00 C ATOM 624 C GLU A 46 -6.677 3.794 -9.348 1.00 0.00 C ATOM 625 O GLU A 46 -6.954 3.001 -10.248 1.00 0.00 O ATOM 626 CB GLU A 46 -7.483 5.924 -10.384 1.00 0.00 C ATOM 627 CG GLU A 46 -7.396 7.441 -10.382 1.00 0.00 C ATOM 628 CD GLU A 46 -8.633 8.097 -10.963 1.00 0.00 C ATOM 629 OE1 GLU A 46 -9.648 8.196 -10.241 1.00 0.00 O ATOM 630 OE2 GLU A 46 -8.586 8.513 -12.140 1.00 0.00 O ATOM 0 H GLU A 46 -5.214 4.937 -11.423 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.123 5.763 -8.728 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.519 5.572 -11.415 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.417 5.621 -9.911 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.249 7.791 -9.360 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.522 7.752 -10.954 1.00 0.00 H new ATOM 637 N MET A 47 -6.670 3.456 -8.063 1.00 0.00 N ATOM 638 CA MET A 47 -6.997 2.104 -7.627 1.00 0.00 C ATOM 639 C MET A 47 -7.766 2.128 -6.309 1.00 0.00 C ATOM 640 O MET A 47 -7.907 3.178 -5.681 1.00 0.00 O ATOM 641 CB MET A 47 -5.722 1.273 -7.471 1.00 0.00 C ATOM 642 CG MET A 47 -4.677 1.925 -6.580 1.00 0.00 C ATOM 643 SD MET A 47 -3.017 1.284 -6.872 1.00 0.00 S ATOM 644 CE MET A 47 -2.046 2.782 -6.730 1.00 0.00 C ATOM 0 H MET A 47 -6.441 4.100 -7.306 1.00 0.00 H new ATOM 0 HA MET A 47 -7.629 1.647 -8.388 1.00 0.00 H new ATOM 0 HB2 MET A 47 -5.982 0.298 -7.059 1.00 0.00 H new ATOM 0 HB3 MET A 47 -5.289 1.098 -8.456 1.00 0.00 H new ATOM 0 HG2 MET A 47 -4.681 3.002 -6.750 1.00 0.00 H new ATOM 0 HG3 MET A 47 -4.945 1.766 -5.536 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.113 2.563 -6.211 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.826 3.169 -7.725 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.608 3.528 -6.167 1.00 0.00 H new ATOM 654 N TYR A 48 -8.262 0.967 -5.898 1.00 0.00 N ATOM 655 CA TYR A 48 -9.019 0.856 -4.656 1.00 0.00 C ATOM 656 C TYR A 48 -8.089 0.870 -3.448 1.00 0.00 C ATOM 657 O TYR A 48 -7.016 0.265 -3.467 1.00 0.00 O ATOM 658 CB TYR A 48 -9.854 -0.426 -4.657 1.00 0.00 C ATOM 659 CG TYR A 48 -10.706 -0.593 -5.894 1.00 0.00 C ATOM 660 CD1 TYR A 48 -10.211 -1.239 -7.020 1.00 0.00 C ATOM 661 CD2 TYR A 48 -12.006 -0.105 -5.938 1.00 0.00 C ATOM 662 CE1 TYR A 48 -10.985 -1.394 -8.154 1.00 0.00 C ATOM 663 CE2 TYR A 48 -12.789 -0.257 -7.066 1.00 0.00 C ATOM 664 CZ TYR A 48 -12.274 -0.902 -8.171 1.00 0.00 C ATOM 665 OH TYR A 48 -13.049 -1.053 -9.298 1.00 0.00 O ATOM 0 H TYR A 48 -8.154 0.089 -6.406 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.685 1.716 -4.588 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.187 -1.284 -4.567 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.499 -0.430 -3.778 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.203 -1.627 -7.009 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.412 0.402 -5.075 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.584 -1.897 -9.021 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.798 0.127 -7.082 1.00 0.00 H new ATOM 0 HH TYR A 48 -13.930 -0.652 -9.145 1.00 0.00 H new ATOM 675 N LEU A 49 -8.507 1.565 -2.396 1.00 0.00 N ATOM 676 CA LEU A 49 -7.713 1.659 -1.176 1.00 0.00 C ATOM 677 C LEU A 49 -8.481 1.101 0.018 1.00 0.00 C ATOM 678 O LEU A 49 -9.677 1.348 0.169 1.00 0.00 O ATOM 679 CB LEU A 49 -7.321 3.114 -0.909 1.00 0.00 C ATOM 680 CG LEU A 49 -5.944 3.542 -1.418 1.00 0.00 C ATOM 681 CD1 LEU A 49 -4.846 2.783 -0.689 1.00 0.00 C ATOM 682 CD2 LEU A 49 -5.839 3.323 -2.920 1.00 0.00 C ATOM 0 H LEU A 49 -9.392 2.072 -2.363 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.810 1.065 -1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.071 3.761 -1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.359 3.288 0.166 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.818 4.606 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.873 3.101 -1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.908 2.990 0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.969 1.713 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.853 3.633 -3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.987 2.267 -3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.603 3.912 -3.428 1.00 0.00 H new ATOM 694 N GLN A 50 -7.784 0.349 0.864 1.00 0.00 N ATOM 695 CA GLN A 50 -8.401 -0.243 2.046 1.00 0.00 C ATOM 696 C GLN A 50 -7.509 -0.068 3.271 1.00 0.00 C ATOM 697 O GLN A 50 -6.330 -0.419 3.248 1.00 0.00 O ATOM 698 CB GLN A 50 -8.680 -1.728 1.811 1.00 0.00 C ATOM 699 CG GLN A 50 -10.122 -2.126 2.080 1.00 0.00 C ATOM 700 CD GLN A 50 -10.247 -3.160 3.181 1.00 0.00 C ATOM 701 OE1 GLN A 50 -9.715 -4.266 3.074 1.00 0.00 O ATOM 702 NE2 GLN A 50 -10.951 -2.806 4.249 1.00 0.00 N ATOM 0 H GLN A 50 -6.793 0.135 0.753 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.344 0.272 2.230 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.429 -1.978 0.780 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.024 -2.318 2.450 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.695 -1.240 2.353 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.563 -2.521 1.165 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.375 -1.879 4.296 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -11.068 -3.461 5.022 1.00 0.00 H new ATOM 711 N GLY A 51 -8.081 0.478 4.340 1.00 0.00 N ATOM 712 CA GLY A 51 -7.323 0.691 5.559 1.00 0.00 C ATOM 713 C GLY A 51 -6.038 1.457 5.317 1.00 0.00 C ATOM 714 O GLY A 51 -6.018 2.686 5.386 1.00 0.00 O ATOM 0 H GLY A 51 -9.055 0.776 4.383 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.938 1.236 6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.088 -0.273 6.010 1.00 0.00 H new ATOM 718 N SER A 52 -4.962 0.731 5.033 1.00 0.00 N ATOM 719 CA SER A 52 -3.665 1.350 4.786 1.00 0.00 C ATOM 720 C SER A 52 -2.846 0.522 3.801 1.00 0.00 C ATOM 721 O SER A 52 -1.618 0.484 3.875 1.00 0.00 O ATOM 722 CB SER A 52 -2.894 1.512 6.097 1.00 0.00 C ATOM 723 OG SER A 52 -2.556 0.251 6.649 1.00 0.00 O ATOM 0 H SER A 52 -4.962 -0.287 4.968 1.00 0.00 H new ATOM 0 HA SER A 52 -3.838 2.334 4.351 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.987 2.090 5.920 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.497 2.075 6.810 1.00 0.00 H new ATOM 0 HG SER A 52 -2.062 0.382 7.485 1.00 0.00 H new ATOM 729 N SER A 53 -3.536 -0.141 2.878 1.00 0.00 N ATOM 730 CA SER A 53 -2.875 -0.973 1.880 1.00 0.00 C ATOM 731 C SER A 53 -3.338 -0.606 0.473 1.00 0.00 C ATOM 732 O SER A 53 -4.463 -0.145 0.279 1.00 0.00 O ATOM 733 CB SER A 53 -3.155 -2.453 2.151 1.00 0.00 C ATOM 734 OG SER A 53 -3.106 -2.735 3.539 1.00 0.00 O ATOM 0 H SER A 53 -4.553 -0.118 2.801 1.00 0.00 H new ATOM 0 HA SER A 53 -1.802 -0.795 1.949 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.136 -2.719 1.757 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.423 -3.067 1.626 1.00 0.00 H new ATOM 0 HG SER A 53 -3.290 -3.686 3.686 1.00 0.00 H new ATOM 740 N ILE A 54 -2.462 -0.813 -0.504 1.00 0.00 N ATOM 741 CA ILE A 54 -2.780 -0.504 -1.893 1.00 0.00 C ATOM 742 C ILE A 54 -3.205 -1.758 -2.650 1.00 0.00 C ATOM 743 O ILE A 54 -2.497 -2.764 -2.652 1.00 0.00 O ATOM 744 CB ILE A 54 -1.582 0.138 -2.616 1.00 0.00 C ATOM 745 CG1 ILE A 54 -1.215 1.470 -1.959 1.00 0.00 C ATOM 746 CG2 ILE A 54 -1.898 0.338 -4.091 1.00 0.00 C ATOM 747 CD1 ILE A 54 0.272 1.653 -1.753 1.00 0.00 C ATOM 0 H ILE A 54 -1.527 -1.193 -0.360 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.606 0.207 -1.878 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.727 -0.533 -2.535 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.591 2.286 -2.576 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.719 1.541 -0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.041 0.793 -4.588 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.115 -0.626 -4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.765 0.991 -4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.458 2.619 -1.283 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.651 0.858 -1.111 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.780 1.614 -2.716 1.00 0.00 H new ATOM 759 N TRP A 55 -4.364 -1.688 -3.294 1.00 0.00 N ATOM 760 CA TRP A 55 -4.883 -2.817 -4.058 1.00 0.00 C ATOM 761 C TRP A 55 -5.151 -2.418 -5.505 1.00 0.00 C ATOM 762 O TRP A 55 -5.886 -1.466 -5.771 1.00 0.00 O ATOM 763 CB TRP A 55 -6.167 -3.347 -3.416 1.00 0.00 C ATOM 764 CG TRP A 55 -5.987 -3.768 -1.990 1.00 0.00 C ATOM 765 CD1 TRP A 55 -6.221 -3.013 -0.876 1.00 0.00 C ATOM 766 CD2 TRP A 55 -5.533 -5.044 -1.523 1.00 0.00 C ATOM 767 NE1 TRP A 55 -5.940 -3.742 0.254 1.00 0.00 N ATOM 768 CE2 TRP A 55 -5.517 -4.992 -0.116 1.00 0.00 C ATOM 769 CE3 TRP A 55 -5.141 -6.226 -2.158 1.00 0.00 C ATOM 770 CZ2 TRP A 55 -5.124 -6.075 0.665 1.00 0.00 C ATOM 771 CZ3 TRP A 55 -4.751 -7.300 -1.382 1.00 0.00 C ATOM 772 CH2 TRP A 55 -4.745 -7.220 0.017 1.00 0.00 C ATOM 0 H TRP A 55 -4.962 -0.862 -3.303 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.130 -3.605 -4.051 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.935 -2.575 -3.465 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.531 -4.196 -3.995 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.575 -1.993 -0.883 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.031 -3.407 1.213 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -5.143 -6.298 -3.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.118 -6.014 1.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.445 -8.218 -1.862 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.435 -8.078 0.595 1.00 0.00 H new ATOM 783 N HIS A 56 -4.551 -3.152 -6.438 1.00 0.00 N ATOM 784 CA HIS A 56 -4.726 -2.874 -7.859 1.00 0.00 C ATOM 785 C HIS A 56 -6.196 -2.979 -8.256 1.00 0.00 C ATOM 786 O HIS A 56 -7.022 -3.530 -7.529 1.00 0.00 O ATOM 787 CB HIS A 56 -3.889 -3.841 -8.696 1.00 0.00 C ATOM 788 CG HIS A 56 -2.558 -3.287 -9.099 1.00 0.00 C ATOM 789 ND1 HIS A 56 -1.383 -4.001 -8.996 1.00 0.00 N ATOM 790 CD2 HIS A 56 -2.219 -2.080 -9.609 1.00 0.00 C ATOM 791 CE1 HIS A 56 -0.378 -3.257 -9.424 1.00 0.00 C ATOM 792 NE2 HIS A 56 -0.859 -2.086 -9.802 1.00 0.00 N ATOM 0 H HIS A 56 -3.940 -3.943 -6.235 1.00 0.00 H new ATOM 0 HA HIS A 56 -4.388 -1.855 -8.049 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.735 -4.759 -8.129 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.448 -4.110 -9.592 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -2.893 -1.264 -9.824 1.00 0.00 H new ATOM 0 HE1 HIS A 56 0.659 -3.555 -9.459 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.310 -1.312 -10.176 1.00 0.00 H new ATOM 800 N PRO A 57 -6.531 -2.438 -9.437 1.00 0.00 N ATOM 801 CA PRO A 57 -7.901 -2.459 -9.957 1.00 0.00 C ATOM 802 C PRO A 57 -8.347 -3.860 -10.361 1.00 0.00 C ATOM 803 O PRO A 57 -9.515 -4.217 -10.213 1.00 0.00 O ATOM 804 CB PRO A 57 -7.829 -1.545 -11.183 1.00 0.00 C ATOM 805 CG PRO A 57 -6.404 -1.602 -11.614 1.00 0.00 C ATOM 806 CD PRO A 57 -5.597 -1.766 -10.355 1.00 0.00 C ATOM 0 HA PRO A 57 -8.626 -2.136 -9.210 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -8.496 -1.889 -11.973 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.127 -0.526 -10.936 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.236 -2.435 -12.297 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.120 -0.693 -12.144 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.702 -2.364 -10.526 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.268 -0.805 -9.961 1.00 0.00 H new ATOM 814 N ALA A 58 -7.408 -4.649 -10.873 1.00 0.00 N ATOM 815 CA ALA A 58 -7.704 -6.012 -11.296 1.00 0.00 C ATOM 816 C ALA A 58 -7.439 -7.007 -10.171 1.00 0.00 C ATOM 817 O ALA A 58 -8.200 -7.954 -9.974 1.00 0.00 O ATOM 818 CB ALA A 58 -6.885 -6.373 -12.527 1.00 0.00 C ATOM 0 H ALA A 58 -6.436 -4.368 -11.005 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.763 -6.065 -11.550 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.116 -7.394 -12.832 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.128 -5.688 -13.339 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.823 -6.296 -12.293 1.00 0.00 H new ATOM 824 N CYS A 59 -6.354 -6.786 -9.437 1.00 0.00 N ATOM 825 CA CYS A 59 -5.986 -7.663 -8.332 1.00 0.00 C ATOM 826 C CYS A 59 -7.093 -7.709 -7.282 1.00 0.00 C ATOM 827 O CYS A 59 -7.701 -8.754 -7.052 1.00 0.00 O ATOM 828 CB CYS A 59 -4.680 -7.191 -7.691 1.00 0.00 C ATOM 829 SG CYS A 59 -3.251 -7.201 -8.821 1.00 0.00 S ATOM 0 H CYS A 59 -5.714 -6.006 -9.588 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.845 -8.668 -8.730 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.820 -6.180 -7.309 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.457 -7.828 -6.835 1.00 0.00 H new ATOM 834 N ARG A 60 -7.349 -6.568 -6.650 1.00 0.00 N ATOM 835 CA ARG A 60 -8.381 -6.478 -5.625 1.00 0.00 C ATOM 836 C ARG A 60 -9.590 -7.333 -5.993 1.00 0.00 C ATOM 837 O ARG A 60 -10.015 -8.189 -5.218 1.00 0.00 O ATOM 838 CB ARG A 60 -8.812 -5.023 -5.432 1.00 0.00 C ATOM 839 CG ARG A 60 -9.517 -4.766 -4.110 1.00 0.00 C ATOM 840 CD ARG A 60 -11.013 -5.021 -4.218 1.00 0.00 C ATOM 841 NE ARG A 60 -11.781 -4.144 -3.338 1.00 0.00 N ATOM 842 CZ ARG A 60 -11.971 -4.384 -2.045 1.00 0.00 C ATOM 843 NH1 ARG A 60 -11.451 -5.467 -1.485 1.00 0.00 N ATOM 844 NH2 ARG A 60 -12.683 -3.540 -1.310 1.00 0.00 N ATOM 0 H ARG A 60 -6.856 -5.694 -6.830 1.00 0.00 H new ATOM 0 HA ARG A 60 -7.963 -6.854 -4.691 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.933 -4.381 -5.496 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.475 -4.738 -6.249 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.092 -5.408 -3.339 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.344 -3.736 -3.798 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.333 -4.871 -5.249 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.223 -6.061 -3.967 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.194 -3.301 -3.738 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.903 -6.119 -2.047 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.598 -5.649 -0.492 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.085 -2.706 -1.737 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.828 -3.725 -0.318 1.00 0.00 H new ATOM 858 N GLN A 61 -10.138 -7.094 -7.180 1.00 0.00 N ATOM 859 CA GLN A 61 -11.298 -7.841 -7.650 1.00 0.00 C ATOM 860 C GLN A 61 -11.187 -9.314 -7.270 1.00 0.00 C ATOM 861 O GLN A 61 -12.161 -9.928 -6.836 1.00 0.00 O ATOM 862 CB GLN A 61 -11.440 -7.703 -9.167 1.00 0.00 C ATOM 863 CG GLN A 61 -11.960 -6.344 -9.607 1.00 0.00 C ATOM 864 CD GLN A 61 -13.461 -6.210 -9.438 1.00 0.00 C ATOM 865 OE1 GLN A 61 -14.038 -6.728 -8.482 1.00 0.00 O ATOM 866 NE2 GLN A 61 -14.101 -5.512 -10.368 1.00 0.00 N ATOM 0 H GLN A 61 -9.797 -6.389 -7.834 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.184 -7.426 -7.170 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -10.470 -7.880 -9.632 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -12.115 -8.477 -9.533 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -11.462 -5.565 -9.030 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -11.700 -6.181 -10.653 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -13.582 -5.100 -11.144 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -15.112 -5.388 -10.307 1.00 0.00 H new ATOM 875 N ALA A 62 -9.993 -9.874 -7.437 1.00 0.00 N ATOM 876 CA ALA A 62 -9.755 -11.275 -7.110 1.00 0.00 C ATOM 877 C ALA A 62 -9.535 -11.459 -5.612 1.00 0.00 C ATOM 878 O ALA A 62 -10.116 -12.351 -4.995 1.00 0.00 O ATOM 879 CB ALA A 62 -8.560 -11.803 -7.890 1.00 0.00 C ATOM 0 H ALA A 62 -9.176 -9.380 -7.796 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.640 -11.845 -7.393 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.394 -12.850 -7.636 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.756 -11.715 -8.959 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.674 -11.222 -7.635 1.00 0.00 H new ATOM 885 N ALA A 63 -8.691 -10.610 -5.034 1.00 0.00 N ATOM 886 CA ALA A 63 -8.396 -10.679 -3.608 1.00 0.00 C ATOM 887 C ALA A 63 -9.677 -10.756 -2.785 1.00 0.00 C ATOM 888 O ALA A 63 -9.753 -11.497 -1.805 1.00 0.00 O ATOM 889 CB ALA A 63 -7.565 -9.478 -3.183 1.00 0.00 C ATOM 0 H ALA A 63 -8.200 -9.867 -5.531 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.823 -11.588 -3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.352 -9.542 -2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.628 -9.468 -3.740 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.119 -8.562 -3.388 1.00 0.00 H new ATOM 895 N ARG A 64 -10.682 -9.986 -3.189 1.00 0.00 N ATOM 896 CA ARG A 64 -11.960 -9.966 -2.487 1.00 0.00 C ATOM 897 C ARG A 64 -12.296 -11.347 -1.931 1.00 0.00 C ATOM 898 O ARG A 64 -12.515 -11.509 -0.730 1.00 0.00 O ATOM 899 CB ARG A 64 -13.074 -9.497 -3.425 1.00 0.00 C ATOM 900 CG ARG A 64 -13.037 -8.005 -3.716 1.00 0.00 C ATOM 901 CD ARG A 64 -14.434 -7.407 -3.733 1.00 0.00 C ATOM 902 NE ARG A 64 -14.621 -6.485 -4.851 1.00 0.00 N ATOM 903 CZ ARG A 64 -15.809 -6.179 -5.361 1.00 0.00 C ATOM 904 NH1 ARG A 64 -16.909 -6.719 -4.856 1.00 0.00 N ATOM 905 NH2 ARG A 64 -15.897 -5.332 -6.378 1.00 0.00 N ATOM 0 H ARG A 64 -10.636 -9.368 -3.999 1.00 0.00 H new ATOM 0 HA ARG A 64 -11.878 -9.268 -1.654 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -13.000 -10.044 -4.365 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -14.039 -9.749 -2.984 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -12.433 -7.501 -2.961 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -12.554 -7.833 -4.678 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -15.171 -8.208 -3.797 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -14.615 -6.881 -2.795 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.794 -6.053 -5.263 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -16.845 -7.371 -4.074 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -17.820 -6.483 -5.249 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -15.052 -4.915 -6.769 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -16.809 -5.098 -6.769 1.00 0.00 H new ATOM 919 N THR A 65 -12.336 -12.341 -2.814 1.00 0.00 N ATOM 920 CA THR A 65 -12.648 -13.707 -2.412 1.00 0.00 C ATOM 921 C THR A 65 -11.386 -14.559 -2.339 1.00 0.00 C ATOM 922 O THR A 65 -10.741 -14.817 -3.355 1.00 0.00 O ATOM 923 CB THR A 65 -13.643 -14.365 -3.386 1.00 0.00 C ATOM 924 OG1 THR A 65 -13.072 -14.436 -4.697 1.00 0.00 O ATOM 925 CG2 THR A 65 -14.947 -13.584 -3.437 1.00 0.00 C ATOM 0 H THR A 65 -12.156 -12.225 -3.811 1.00 0.00 H new ATOM 0 HA THR A 65 -13.103 -13.651 -1.423 1.00 0.00 H new ATOM 0 HB THR A 65 -13.855 -15.372 -3.028 1.00 0.00 H new ATOM 0 HG1 THR A 65 -12.095 -14.473 -4.627 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.634 -14.068 -4.131 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.394 -13.558 -2.443 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.749 -12.566 -3.773 1.00 0.00 H new ATOM 933 N GLU A 66 -11.041 -14.995 -1.132 1.00 0.00 N ATOM 934 CA GLU A 66 -9.855 -15.819 -0.928 1.00 0.00 C ATOM 935 C GLU A 66 -9.715 -16.218 0.538 1.00 0.00 C ATOM 936 O GLU A 66 -9.498 -15.371 1.405 1.00 0.00 O ATOM 937 CB GLU A 66 -8.602 -15.071 -1.387 1.00 0.00 C ATOM 938 CG GLU A 66 -7.902 -15.723 -2.567 1.00 0.00 C ATOM 939 CD GLU A 66 -7.381 -17.110 -2.244 1.00 0.00 C ATOM 940 OE1 GLU A 66 -8.206 -17.999 -1.947 1.00 0.00 O ATOM 941 OE2 GLU A 66 -6.149 -17.306 -2.289 1.00 0.00 O ATOM 0 H GLU A 66 -11.565 -14.792 -0.281 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.967 -16.725 -1.524 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.876 -14.051 -1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.903 -15.004 -0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.595 -15.786 -3.406 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.072 -15.092 -2.886 1.00 0.00 H new ATOM 948 N ASP A 67 -9.842 -17.513 0.808 1.00 0.00 N ATOM 949 CA ASP A 67 -9.729 -18.025 2.168 1.00 0.00 C ATOM 950 C ASP A 67 -8.266 -18.156 2.580 1.00 0.00 C ATOM 951 O ASP A 67 -7.872 -17.708 3.657 1.00 0.00 O ATOM 952 CB ASP A 67 -10.427 -19.381 2.285 1.00 0.00 C ATOM 953 CG ASP A 67 -10.878 -19.680 3.701 1.00 0.00 C ATOM 954 OD1 ASP A 67 -11.506 -18.797 4.322 1.00 0.00 O ATOM 955 OD2 ASP A 67 -10.602 -20.796 4.189 1.00 0.00 O ATOM 0 H ASP A 67 -10.023 -18.227 0.102 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.215 -17.315 2.838 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -11.291 -19.400 1.620 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.749 -20.166 1.950 1.00 0.00 H new ATOM 960 N SER A 68 -7.466 -18.772 1.716 1.00 0.00 N ATOM 961 CA SER A 68 -6.047 -18.966 1.992 1.00 0.00 C ATOM 962 C SER A 68 -5.203 -17.935 1.249 1.00 0.00 C ATOM 963 O SER A 68 -5.228 -17.865 0.021 1.00 0.00 O ATOM 964 CB SER A 68 -5.616 -20.378 1.592 1.00 0.00 C ATOM 965 OG SER A 68 -4.868 -20.995 2.626 1.00 0.00 O ATOM 0 H SER A 68 -7.776 -19.145 0.819 1.00 0.00 H new ATOM 0 HA SER A 68 -5.890 -18.835 3.063 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.496 -20.980 1.367 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.018 -20.335 0.682 1.00 0.00 H new ATOM 0 HG SER A 68 -4.606 -21.897 2.347 1.00 0.00 H new ATOM 971 N GLY A 69 -4.456 -17.135 2.005 1.00 0.00 N ATOM 972 CA GLY A 69 -3.615 -16.118 1.401 1.00 0.00 C ATOM 973 C GLY A 69 -2.778 -15.376 2.425 1.00 0.00 C ATOM 974 O GLY A 69 -3.287 -14.873 3.427 1.00 0.00 O ATOM 0 H GLY A 69 -4.419 -17.173 3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.957 -16.583 0.667 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.241 -15.406 0.863 1.00 0.00 H new ATOM 978 N PRO A 70 -1.462 -15.302 2.177 1.00 0.00 N ATOM 979 CA PRO A 70 -0.525 -14.618 3.074 1.00 0.00 C ATOM 980 C PRO A 70 -0.712 -13.105 3.064 1.00 0.00 C ATOM 981 O PRO A 70 -0.250 -12.419 2.153 1.00 0.00 O ATOM 982 CB PRO A 70 0.846 -14.992 2.506 1.00 0.00 C ATOM 983 CG PRO A 70 0.593 -15.285 1.068 1.00 0.00 C ATOM 984 CD PRO A 70 -0.787 -15.878 1.003 1.00 0.00 C ATOM 0 HA PRO A 70 -0.666 -14.914 4.114 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.559 -14.176 2.624 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.264 -15.858 3.019 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.656 -14.377 0.468 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.335 -15.980 0.675 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.295 -15.612 0.076 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.759 -16.967 1.050 1.00 0.00 H new ATOM 992 N SER A 71 -1.392 -12.591 4.084 1.00 0.00 N ATOM 993 CA SER A 71 -1.643 -11.158 4.190 1.00 0.00 C ATOM 994 C SER A 71 -0.532 -10.469 4.976 1.00 0.00 C ATOM 995 O SER A 71 0.086 -11.069 5.855 1.00 0.00 O ATOM 996 CB SER A 71 -2.993 -10.904 4.864 1.00 0.00 C ATOM 997 OG SER A 71 -3.664 -9.809 4.265 1.00 0.00 O ATOM 0 H SER A 71 -1.779 -13.145 4.848 1.00 0.00 H new ATOM 0 HA SER A 71 -1.664 -10.742 3.183 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.613 -11.798 4.792 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.842 -10.706 5.925 1.00 0.00 H new ATOM 0 HG SER A 71 -4.525 -9.668 4.712 1.00 0.00 H new ATOM 1003 N SER A 72 -0.284 -9.204 4.652 1.00 0.00 N ATOM 1004 CA SER A 72 0.755 -8.432 5.324 1.00 0.00 C ATOM 1005 C SER A 72 0.402 -8.206 6.791 1.00 0.00 C ATOM 1006 O SER A 72 1.258 -8.301 7.669 1.00 0.00 O ATOM 1007 CB SER A 72 0.956 -7.088 4.623 1.00 0.00 C ATOM 1008 OG SER A 72 -0.200 -6.275 4.738 1.00 0.00 O ATOM 0 H SER A 72 -0.788 -8.692 3.928 1.00 0.00 H new ATOM 0 HA SER A 72 1.683 -9.001 5.276 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.812 -6.572 5.058 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.185 -7.254 3.570 1.00 0.00 H new ATOM 0 HG SER A 72 -0.046 -5.421 4.283 1.00 0.00 H new ATOM 1014 N GLY A 73 -0.868 -7.906 7.047 1.00 0.00 N ATOM 1015 CA GLY A 73 -1.314 -7.671 8.408 1.00 0.00 C ATOM 1016 C GLY A 73 -2.491 -6.718 8.476 1.00 0.00 C ATOM 1017 O GLY A 73 -3.257 -6.643 7.516 1.00 0.00 O ATOM 0 H GLY A 73 -1.595 -7.822 6.337 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.593 -8.621 8.865 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.488 -7.266 8.993 1.00 0.00 H new TER 1021 GLY A 73 HETATM 1022 ZN ZN A 201 9.969 5.012 1.670 1.00 0.00 ZN HETATM 1023 ZN ZN A 401 -1.463 -5.963 -8.152 1.00 0.00 ZN