USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 38 LYS NZ :NH3+ -134:sc= 0.828 (180deg=0.0148) 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 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -3:sc= -1.41 USER MOD Single : A 12 MET CE :methyl -149:sc= 0 (180deg=-0.00306) USER MOD Single : A 13 THR OG1 : rot 155:sc= 0.773 USER MOD Single : A 14 CYS SG : rot -23:sc= 0.368 USER MOD Single : A 15 SER OG : rot 25:sc= 0.0317 USER MOD Single : A 17 TYR OH : rot 150:sc= -0.979 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -118:sc=-0.00455 (180deg=-0.998) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 23 SER OG : rot 51:sc= 1.28 USER MOD Single : A 26 SER OG : rot -176:sc= -0.14 USER MOD Single : A 34 GLN : amide:sc= -0.0647 K(o=-0.065,f=-0.68) USER MOD Single : A 39 GLN : amide:sc= 0.01 X(o=0.01,f=-0.011) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -45:sc= 0.266 USER MOD Single : A 57 SER OG : rot 170:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= 0.0111 K(o=0.011,f=-1.7) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 158:sc= -0.0908 (180deg=-0.401) USER MOD Single : A 75 SER OG : rot 180:sc= -0.795 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.695 -10.390 23.796 1.00 0.00 N ATOM 2 CA GLY A 1 13.393 -9.841 25.105 1.00 0.00 C ATOM 3 C GLY A 1 12.187 -8.923 25.085 1.00 0.00 C ATOM 4 O GLY A 1 11.202 -9.166 25.783 1.00 0.00 O ATOM 0 H1 GLY A 1 14.527 -11.010 23.863 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.881 -10.939 23.453 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.894 -9.615 23.132 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.213 -10.657 25.805 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.259 -9.290 25.473 1.00 0.00 H new ATOM 8 N SER A 2 12.265 -7.864 24.286 1.00 0.00 N ATOM 9 CA SER A 2 11.173 -6.903 24.183 1.00 0.00 C ATOM 10 C SER A 2 10.156 -7.346 23.135 1.00 0.00 C ATOM 11 O SER A 2 10.361 -8.338 22.436 1.00 0.00 O ATOM 12 CB SER A 2 11.717 -5.517 23.829 1.00 0.00 C ATOM 13 OG SER A 2 12.569 -5.028 24.850 1.00 0.00 O ATOM 0 H SER A 2 13.072 -7.650 23.701 1.00 0.00 H new ATOM 0 HA SER A 2 10.673 -6.853 25.150 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.264 -5.567 22.887 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.888 -4.825 23.680 1.00 0.00 H new ATOM 0 HG SER A 2 12.905 -4.142 24.599 1.00 0.00 H new ATOM 19 N SER A 3 9.059 -6.602 23.033 1.00 0.00 N ATOM 20 CA SER A 3 8.008 -6.919 22.073 1.00 0.00 C ATOM 21 C SER A 3 7.613 -5.683 21.271 1.00 0.00 C ATOM 22 O SER A 3 7.199 -4.670 21.835 1.00 0.00 O ATOM 23 CB SER A 3 6.784 -7.486 22.795 1.00 0.00 C ATOM 24 OG SER A 3 6.043 -8.345 21.945 1.00 0.00 O ATOM 0 H SER A 3 8.875 -5.776 23.603 1.00 0.00 H new ATOM 0 HA SER A 3 8.394 -7.669 21.383 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.102 -8.033 23.682 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.148 -6.669 23.136 1.00 0.00 H new ATOM 0 HG SER A 3 5.267 -8.696 22.430 1.00 0.00 H new ATOM 30 N GLY A 4 7.745 -5.774 19.952 1.00 0.00 N ATOM 31 CA GLY A 4 7.399 -4.656 19.093 1.00 0.00 C ATOM 32 C GLY A 4 8.601 -3.805 18.735 1.00 0.00 C ATOM 33 O GLY A 4 8.892 -2.816 19.408 1.00 0.00 O ATOM 0 H GLY A 4 8.085 -6.602 19.462 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.940 -5.033 18.179 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.654 -4.036 19.592 1.00 0.00 H new ATOM 37 N SER A 5 9.303 -4.191 17.674 1.00 0.00 N ATOM 38 CA SER A 5 10.484 -3.459 17.232 1.00 0.00 C ATOM 39 C SER A 5 10.309 -2.960 15.801 1.00 0.00 C ATOM 40 O SER A 5 10.171 -3.752 14.868 1.00 0.00 O ATOM 41 CB SER A 5 11.726 -4.347 17.327 1.00 0.00 C ATOM 42 OG SER A 5 11.880 -4.869 18.635 1.00 0.00 O ATOM 0 H SER A 5 9.074 -5.006 17.105 1.00 0.00 H new ATOM 0 HA SER A 5 10.613 -2.597 17.886 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.647 -5.166 16.612 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.611 -3.771 17.055 1.00 0.00 H new ATOM 0 HG SER A 5 12.680 -5.434 18.669 1.00 0.00 H new ATOM 48 N SER A 6 10.317 -1.641 15.635 1.00 0.00 N ATOM 49 CA SER A 6 10.156 -1.035 14.319 1.00 0.00 C ATOM 50 C SER A 6 9.164 -1.828 13.473 1.00 0.00 C ATOM 51 O SER A 6 9.393 -2.067 12.289 1.00 0.00 O ATOM 52 CB SER A 6 11.505 -0.956 13.602 1.00 0.00 C ATOM 53 OG SER A 6 12.223 0.202 13.992 1.00 0.00 O ATOM 0 H SER A 6 10.433 -0.972 16.396 1.00 0.00 H new ATOM 0 HA SER A 6 9.766 -0.027 14.456 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.093 -1.846 13.828 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.347 -0.944 12.524 1.00 0.00 H new ATOM 0 HG SER A 6 13.082 0.228 13.521 1.00 0.00 H new ATOM 59 N GLY A 7 8.059 -2.232 14.093 1.00 0.00 N ATOM 60 CA GLY A 7 7.047 -2.994 13.384 1.00 0.00 C ATOM 61 C GLY A 7 6.554 -2.283 12.139 1.00 0.00 C ATOM 62 O GLY A 7 6.061 -1.158 12.213 1.00 0.00 O ATOM 0 H GLY A 7 7.847 -2.045 15.073 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.456 -3.965 13.106 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.204 -3.181 14.050 1.00 0.00 H new ATOM 66 N ALA A 8 6.687 -2.941 10.992 1.00 0.00 N ATOM 67 CA ALA A 8 6.250 -2.365 9.726 1.00 0.00 C ATOM 68 C ALA A 8 5.147 -3.206 9.092 1.00 0.00 C ATOM 69 O ALA A 8 4.795 -4.272 9.599 1.00 0.00 O ATOM 70 CB ALA A 8 7.429 -2.232 8.772 1.00 0.00 C ATOM 0 H ALA A 8 7.094 -3.873 10.913 1.00 0.00 H new ATOM 0 HA ALA A 8 5.845 -1.373 9.927 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.088 -1.801 7.831 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.185 -1.584 9.216 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.859 -3.216 8.586 1.00 0.00 H new ATOM 76 N THR A 9 4.603 -2.719 7.981 1.00 0.00 N ATOM 77 CA THR A 9 3.538 -3.425 7.280 1.00 0.00 C ATOM 78 C THR A 9 3.916 -3.687 5.827 1.00 0.00 C ATOM 79 O THR A 9 4.284 -2.767 5.095 1.00 0.00 O ATOM 80 CB THR A 9 2.218 -2.632 7.319 1.00 0.00 C ATOM 81 OG1 THR A 9 1.846 -2.367 8.676 1.00 0.00 O ATOM 82 CG2 THR A 9 1.104 -3.400 6.624 1.00 0.00 C ATOM 0 H THR A 9 4.882 -1.839 7.548 1.00 0.00 H new ATOM 0 HA THR A 9 3.398 -4.376 7.794 1.00 0.00 H new ATOM 0 HB THR A 9 2.371 -1.689 6.793 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.007 -1.861 8.692 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.182 -2.820 6.665 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.377 -3.575 5.583 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.953 -4.356 7.125 1.00 0.00 H new ATOM 90 N SER A 10 3.824 -4.947 5.414 1.00 0.00 N ATOM 91 CA SER A 10 4.160 -5.330 4.048 1.00 0.00 C ATOM 92 C SER A 10 2.909 -5.385 3.175 1.00 0.00 C ATOM 93 O SER A 10 1.848 -5.823 3.619 1.00 0.00 O ATOM 94 CB SER A 10 4.864 -6.689 4.035 1.00 0.00 C ATOM 95 OG SER A 10 5.763 -6.787 2.944 1.00 0.00 O ATOM 0 H SER A 10 3.520 -5.720 6.006 1.00 0.00 H new ATOM 0 HA SER A 10 4.833 -4.575 3.641 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.405 -6.831 4.970 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.123 -7.486 3.972 1.00 0.00 H new ATOM 0 HG SER A 10 5.710 -5.972 2.402 1.00 0.00 H new ATOM 101 N TYR A 11 3.043 -4.937 1.932 1.00 0.00 N ATOM 102 CA TYR A 11 1.925 -4.932 0.997 1.00 0.00 C ATOM 103 C TYR A 11 2.257 -5.738 -0.255 1.00 0.00 C ATOM 104 O TYR A 11 3.384 -6.203 -0.426 1.00 0.00 O ATOM 105 CB TYR A 11 1.561 -3.497 0.612 1.00 0.00 C ATOM 106 CG TYR A 11 1.138 -2.644 1.786 1.00 0.00 C ATOM 107 CD1 TYR A 11 2.035 -2.326 2.798 1.00 0.00 C ATOM 108 CD2 TYR A 11 -0.159 -2.154 1.882 1.00 0.00 C ATOM 109 CE1 TYR A 11 1.652 -1.548 3.873 1.00 0.00 C ATOM 110 CE2 TYR A 11 -0.550 -1.373 2.952 1.00 0.00 C ATOM 111 CZ TYR A 11 0.359 -1.073 3.946 1.00 0.00 C ATOM 112 OH TYR A 11 -0.026 -0.296 5.014 1.00 0.00 O ATOM 0 H TYR A 11 3.915 -4.573 1.549 1.00 0.00 H new ATOM 0 HA TYR A 11 1.071 -5.397 1.490 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.418 -3.032 0.126 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.753 -3.520 -0.120 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.049 -2.693 2.743 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.873 -2.388 1.107 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.361 -1.313 4.653 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.562 -0.999 3.010 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.967 -0.043 4.912 1.00 0.00 H new ATOM 122 N MET A 12 1.268 -5.898 -1.128 1.00 0.00 N ATOM 123 CA MET A 12 1.455 -6.646 -2.366 1.00 0.00 C ATOM 124 C MET A 12 1.119 -5.784 -3.578 1.00 0.00 C ATOM 125 O MET A 12 0.015 -5.250 -3.687 1.00 0.00 O ATOM 126 CB MET A 12 0.585 -7.904 -2.363 1.00 0.00 C ATOM 127 CG MET A 12 1.275 -9.120 -1.767 1.00 0.00 C ATOM 128 SD MET A 12 2.794 -9.553 -2.638 1.00 0.00 S ATOM 129 CE MET A 12 2.131 -10.358 -4.094 1.00 0.00 C ATOM 0 H MET A 12 0.329 -5.520 -1.001 1.00 0.00 H new ATOM 0 HA MET A 12 2.503 -6.938 -2.430 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.328 -7.703 -1.802 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.286 -8.131 -3.386 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.504 -8.926 -0.719 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.592 -9.969 -1.792 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.826 -11.126 -4.433 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.173 -10.817 -3.851 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.990 -9.621 -4.885 1.00 0.00 H new ATOM 139 N THR A 13 2.079 -5.650 -4.488 1.00 0.00 N ATOM 140 CA THR A 13 1.886 -4.851 -5.692 1.00 0.00 C ATOM 141 C THR A 13 0.882 -5.508 -6.632 1.00 0.00 C ATOM 142 O THR A 13 1.044 -6.667 -7.017 1.00 0.00 O ATOM 143 CB THR A 13 3.213 -4.637 -6.444 1.00 0.00 C ATOM 144 OG1 THR A 13 3.640 -5.865 -7.044 1.00 0.00 O ATOM 145 CG2 THR A 13 4.292 -4.125 -5.501 1.00 0.00 C ATOM 0 H THR A 13 2.999 -6.085 -4.414 1.00 0.00 H new ATOM 0 HA THR A 13 1.500 -3.884 -5.371 1.00 0.00 H new ATOM 0 HB THR A 13 3.048 -3.892 -7.222 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.212 -5.671 -7.816 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.220 -3.981 -6.054 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.977 -3.176 -5.068 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.453 -4.851 -4.704 1.00 0.00 H new ATOM 153 N CYS A 14 -0.153 -4.762 -7.001 1.00 0.00 N ATOM 154 CA CYS A 14 -1.183 -5.273 -7.897 1.00 0.00 C ATOM 155 C CYS A 14 -0.880 -4.898 -9.344 1.00 0.00 C ATOM 156 O CYS A 14 -1.434 -5.480 -10.276 1.00 0.00 O ATOM 157 CB CYS A 14 -2.555 -4.731 -7.494 1.00 0.00 C ATOM 158 SG CYS A 14 -3.900 -5.231 -8.594 1.00 0.00 S ATOM 0 H CYS A 14 -0.301 -3.801 -6.693 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.192 -6.360 -7.816 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.783 -5.067 -6.483 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.509 -3.642 -7.465 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.415 -5.541 -9.759 1.00 0.00 H new ATOM 164 N SER A 15 0.001 -3.919 -9.524 1.00 0.00 N ATOM 165 CA SER A 15 0.374 -3.461 -10.857 1.00 0.00 C ATOM 166 C SER A 15 1.845 -3.057 -10.901 1.00 0.00 C ATOM 167 O SER A 15 2.514 -2.996 -9.871 1.00 0.00 O ATOM 168 CB SER A 15 -0.504 -2.282 -11.278 1.00 0.00 C ATOM 169 OG SER A 15 -1.702 -2.730 -11.888 1.00 0.00 O ATOM 0 H SER A 15 0.470 -3.428 -8.763 1.00 0.00 H new ATOM 0 HA SER A 15 0.221 -4.285 -11.554 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.742 -1.672 -10.406 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.045 -1.645 -11.972 1.00 0.00 H new ATOM 0 HG SER A 15 -1.913 -3.633 -11.571 1.00 0.00 H new ATOM 175 N ALA A 16 2.340 -2.781 -12.103 1.00 0.00 N ATOM 176 CA ALA A 16 3.730 -2.381 -12.283 1.00 0.00 C ATOM 177 C ALA A 16 3.879 -0.865 -12.205 1.00 0.00 C ATOM 178 O ALA A 16 3.120 -0.124 -12.829 1.00 0.00 O ATOM 179 CB ALA A 16 4.260 -2.897 -13.612 1.00 0.00 C ATOM 0 H ALA A 16 1.799 -2.827 -12.967 1.00 0.00 H new ATOM 0 HA ALA A 16 4.316 -2.820 -11.476 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.299 -2.591 -13.733 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.198 -3.985 -13.631 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.663 -2.485 -14.426 1.00 0.00 H new ATOM 185 N TYR A 17 4.861 -0.411 -11.434 1.00 0.00 N ATOM 186 CA TYR A 17 5.107 1.017 -11.271 1.00 0.00 C ATOM 187 C TYR A 17 6.514 1.383 -11.733 1.00 0.00 C ATOM 188 O TYR A 17 7.469 0.645 -11.491 1.00 0.00 O ATOM 189 CB TYR A 17 4.915 1.426 -9.810 1.00 0.00 C ATOM 190 CG TYR A 17 5.600 2.724 -9.450 1.00 0.00 C ATOM 191 CD1 TYR A 17 6.982 2.791 -9.321 1.00 0.00 C ATOM 192 CD2 TYR A 17 4.866 3.885 -9.239 1.00 0.00 C ATOM 193 CE1 TYR A 17 7.612 3.975 -8.991 1.00 0.00 C ATOM 194 CE2 TYR A 17 5.488 5.074 -8.910 1.00 0.00 C ATOM 195 CZ TYR A 17 6.861 5.114 -8.787 1.00 0.00 C ATOM 196 OH TYR A 17 7.485 6.296 -8.459 1.00 0.00 O ATOM 0 H TYR A 17 5.500 -1.011 -10.912 1.00 0.00 H new ATOM 0 HA TYR A 17 4.389 1.556 -11.889 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.849 1.519 -9.604 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.296 0.633 -9.166 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.574 1.902 -9.482 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.791 3.857 -9.334 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.687 4.009 -8.893 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.902 5.967 -8.750 1.00 0.00 H new ATOM 0 HH TYR A 17 6.961 7.049 -8.803 1.00 0.00 H new ATOM 206 N GLN A 18 6.633 2.527 -12.397 1.00 0.00 N ATOM 207 CA GLN A 18 7.923 2.992 -12.893 1.00 0.00 C ATOM 208 C GLN A 18 8.483 4.097 -12.003 1.00 0.00 C ATOM 209 O GLN A 18 7.732 4.886 -11.428 1.00 0.00 O ATOM 210 CB GLN A 18 7.789 3.498 -14.330 1.00 0.00 C ATOM 211 CG GLN A 18 7.465 4.980 -14.426 1.00 0.00 C ATOM 212 CD GLN A 18 7.347 5.461 -15.859 1.00 0.00 C ATOM 213 OE1 GLN A 18 6.280 5.377 -16.468 1.00 0.00 O ATOM 214 NE2 GLN A 18 8.446 5.968 -16.406 1.00 0.00 N ATOM 0 H GLN A 18 5.852 3.150 -12.604 1.00 0.00 H new ATOM 0 HA GLN A 18 8.615 2.150 -12.875 1.00 0.00 H new ATOM 0 HB2 GLN A 18 8.719 3.303 -14.863 1.00 0.00 H new ATOM 0 HB3 GLN A 18 7.007 2.930 -14.835 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.530 5.178 -13.902 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.242 5.551 -13.918 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.309 6.018 -15.864 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.427 6.307 -17.368 1.00 0.00 H new ATOM 223 N LYS A 19 9.806 4.148 -11.892 1.00 0.00 N ATOM 224 CA LYS A 19 10.467 5.156 -11.072 1.00 0.00 C ATOM 225 C LYS A 19 10.544 6.491 -11.808 1.00 0.00 C ATOM 226 O LYS A 19 10.998 6.556 -12.950 1.00 0.00 O ATOM 227 CB LYS A 19 11.874 4.691 -10.691 1.00 0.00 C ATOM 228 CG LYS A 19 12.810 4.548 -11.879 1.00 0.00 C ATOM 229 CD LYS A 19 14.193 4.088 -11.447 1.00 0.00 C ATOM 230 CE LYS A 19 14.963 5.206 -10.760 1.00 0.00 C ATOM 231 NZ LYS A 19 15.741 6.022 -11.732 1.00 0.00 N ATOM 0 H LYS A 19 10.442 3.502 -12.360 1.00 0.00 H new ATOM 0 HA LYS A 19 9.878 5.294 -10.165 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.303 5.401 -9.984 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.804 3.732 -10.177 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.393 3.833 -12.588 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.889 5.503 -12.398 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.100 3.239 -10.770 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.751 3.742 -12.317 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.267 5.849 -10.222 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.640 4.779 -10.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 16.755 5.947 -11.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.567 5.673 -12.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.445 7.017 -11.665 1.00 0.00 H new ATOM 245 N VAL A 20 10.098 7.553 -11.145 1.00 0.00 N ATOM 246 CA VAL A 20 10.118 8.886 -11.735 1.00 0.00 C ATOM 247 C VAL A 20 11.394 9.633 -11.362 1.00 0.00 C ATOM 248 O VAL A 20 11.822 10.543 -12.071 1.00 0.00 O ATOM 249 CB VAL A 20 8.901 9.717 -11.288 1.00 0.00 C ATOM 250 CG1 VAL A 20 8.891 9.878 -9.775 1.00 0.00 C ATOM 251 CG2 VAL A 20 8.899 11.073 -11.977 1.00 0.00 C ATOM 0 H VAL A 20 9.718 7.516 -10.199 1.00 0.00 H new ATOM 0 HA VAL A 20 10.080 8.753 -12.816 1.00 0.00 H new ATOM 0 HB VAL A 20 7.994 9.187 -11.579 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.024 10.468 -9.478 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.840 8.896 -9.305 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.802 10.386 -9.457 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.032 11.646 -11.649 1.00 0.00 H new ATOM 0 HG22 VAL A 20 9.810 11.613 -11.719 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.854 10.932 -13.057 1.00 0.00 H new ATOM 261 N GLN A 21 11.997 9.241 -10.244 1.00 0.00 N ATOM 262 CA GLN A 21 13.224 9.874 -9.776 1.00 0.00 C ATOM 263 C GLN A 21 14.210 8.832 -9.257 1.00 0.00 C ATOM 264 O GLN A 21 13.812 7.763 -8.794 1.00 0.00 O ATOM 265 CB GLN A 21 12.912 10.890 -8.677 1.00 0.00 C ATOM 266 CG GLN A 21 12.159 12.113 -9.174 1.00 0.00 C ATOM 267 CD GLN A 21 11.856 13.103 -8.067 1.00 0.00 C ATOM 268 OE1 GLN A 21 11.865 12.753 -6.886 1.00 0.00 O ATOM 269 NE2 GLN A 21 11.586 14.348 -8.442 1.00 0.00 N ATOM 0 H GLN A 21 11.656 8.488 -9.646 1.00 0.00 H new ATOM 0 HA GLN A 21 13.681 10.392 -10.620 1.00 0.00 H new ATOM 0 HB2 GLN A 21 12.323 10.403 -7.900 1.00 0.00 H new ATOM 0 HB3 GLN A 21 13.846 11.211 -8.215 1.00 0.00 H new ATOM 0 HG2 GLN A 21 12.747 12.607 -9.947 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.225 11.796 -9.638 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.589 14.595 -9.432 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.375 15.058 -7.740 1.00 0.00 H new ATOM 278 N ASP A 22 15.497 9.151 -9.339 1.00 0.00 N ATOM 279 CA ASP A 22 16.541 8.243 -8.877 1.00 0.00 C ATOM 280 C ASP A 22 16.213 7.699 -7.490 1.00 0.00 C ATOM 281 O ASP A 22 16.665 6.618 -7.113 1.00 0.00 O ATOM 282 CB ASP A 22 17.893 8.956 -8.852 1.00 0.00 C ATOM 283 CG ASP A 22 17.860 10.231 -8.033 1.00 0.00 C ATOM 284 OD1 ASP A 22 17.122 11.163 -8.415 1.00 0.00 O ATOM 285 OD2 ASP A 22 18.573 10.298 -7.010 1.00 0.00 O ATOM 0 H ASP A 22 15.843 10.031 -9.721 1.00 0.00 H new ATOM 0 HA ASP A 22 16.594 7.406 -9.573 1.00 0.00 H new ATOM 0 HB2 ASP A 22 18.647 8.284 -8.443 1.00 0.00 H new ATOM 0 HB3 ASP A 22 18.196 9.191 -9.872 1.00 0.00 H new ATOM 290 N SER A 23 15.425 8.457 -6.734 1.00 0.00 N ATOM 291 CA SER A 23 15.041 8.054 -5.386 1.00 0.00 C ATOM 292 C SER A 23 14.021 6.920 -5.428 1.00 0.00 C ATOM 293 O SER A 23 14.102 5.970 -4.650 1.00 0.00 O ATOM 294 CB SER A 23 14.464 9.246 -4.619 1.00 0.00 C ATOM 295 OG SER A 23 13.722 10.094 -5.479 1.00 0.00 O ATOM 0 H SER A 23 15.040 9.353 -7.032 1.00 0.00 H new ATOM 0 HA SER A 23 15.934 7.698 -4.872 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.823 8.888 -3.813 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.273 9.811 -4.156 1.00 0.00 H new ATOM 0 HG SER A 23 13.073 9.561 -5.984 1.00 0.00 H new ATOM 301 N GLU A 24 13.063 7.028 -6.343 1.00 0.00 N ATOM 302 CA GLU A 24 12.026 6.012 -6.486 1.00 0.00 C ATOM 303 C GLU A 24 12.592 4.744 -7.119 1.00 0.00 C ATOM 304 O GLU A 24 13.720 4.734 -7.612 1.00 0.00 O ATOM 305 CB GLU A 24 10.871 6.547 -7.334 1.00 0.00 C ATOM 306 CG GLU A 24 9.847 7.340 -6.538 1.00 0.00 C ATOM 307 CD GLU A 24 10.337 8.729 -6.179 1.00 0.00 C ATOM 308 OE1 GLU A 24 11.560 8.967 -6.262 1.00 0.00 O ATOM 309 OE2 GLU A 24 9.497 9.579 -5.816 1.00 0.00 O ATOM 0 H GLU A 24 12.983 7.808 -6.996 1.00 0.00 H new ATOM 0 HA GLU A 24 11.653 5.766 -5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.274 7.181 -8.124 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.371 5.710 -7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.927 7.422 -7.116 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.603 6.797 -5.625 1.00 0.00 H new ATOM 316 N ILE A 25 11.799 3.678 -7.102 1.00 0.00 N ATOM 317 CA ILE A 25 12.220 2.405 -7.674 1.00 0.00 C ATOM 318 C ILE A 25 11.074 1.734 -8.425 1.00 0.00 C ATOM 319 O ILE A 25 9.932 1.740 -7.967 1.00 0.00 O ATOM 320 CB ILE A 25 12.740 1.444 -6.588 1.00 0.00 C ATOM 321 CG1 ILE A 25 12.648 -0.005 -7.073 1.00 0.00 C ATOM 322 CG2 ILE A 25 11.954 1.627 -5.299 1.00 0.00 C ATOM 323 CD1 ILE A 25 11.289 -0.631 -6.853 1.00 0.00 C ATOM 0 H ILE A 25 10.862 3.670 -6.699 1.00 0.00 H new ATOM 0 HA ILE A 25 13.029 2.624 -8.371 1.00 0.00 H new ATOM 0 HB ILE A 25 13.786 1.676 -6.389 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.887 -0.040 -8.136 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.401 -0.601 -6.557 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.333 0.941 -4.541 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.065 2.653 -4.948 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.900 1.418 -5.483 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.297 -1.657 -7.220 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.055 -0.629 -5.788 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.533 -0.059 -7.391 1.00 0.00 H new ATOM 335 N SER A 26 11.389 1.155 -9.579 1.00 0.00 N ATOM 336 CA SER A 26 10.386 0.481 -10.395 1.00 0.00 C ATOM 337 C SER A 26 10.297 -0.999 -10.034 1.00 0.00 C ATOM 338 O SER A 26 11.299 -1.713 -10.043 1.00 0.00 O ATOM 339 CB SER A 26 10.718 0.636 -11.880 1.00 0.00 C ATOM 340 OG SER A 26 11.386 1.861 -12.128 1.00 0.00 O ATOM 0 H SER A 26 12.331 1.139 -9.970 1.00 0.00 H new ATOM 0 HA SER A 26 9.420 0.945 -10.196 1.00 0.00 H new ATOM 0 HB2 SER A 26 11.344 -0.195 -12.205 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.801 0.593 -12.467 1.00 0.00 H new ATOM 0 HG SER A 26 11.532 1.965 -13.092 1.00 0.00 H new ATOM 346 N PHE A 27 9.089 -1.452 -9.716 1.00 0.00 N ATOM 347 CA PHE A 27 8.867 -2.846 -9.351 1.00 0.00 C ATOM 348 C PHE A 27 7.799 -3.478 -10.239 1.00 0.00 C ATOM 349 O PHE A 27 6.847 -2.826 -10.667 1.00 0.00 O ATOM 350 CB PHE A 27 8.452 -2.951 -7.882 1.00 0.00 C ATOM 351 CG PHE A 27 7.403 -1.952 -7.483 1.00 0.00 C ATOM 352 CD1 PHE A 27 6.098 -2.084 -7.927 1.00 0.00 C ATOM 353 CD2 PHE A 27 7.723 -0.882 -6.663 1.00 0.00 C ATOM 354 CE1 PHE A 27 5.130 -1.167 -7.562 1.00 0.00 C ATOM 355 CE2 PHE A 27 6.760 0.038 -6.294 1.00 0.00 C ATOM 356 CZ PHE A 27 5.462 -0.104 -6.745 1.00 0.00 C ATOM 0 H PHE A 27 8.249 -0.874 -9.704 1.00 0.00 H new ATOM 0 HA PHE A 27 9.802 -3.387 -9.497 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.077 -3.956 -7.690 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.332 -2.813 -7.253 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.833 -2.913 -8.566 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.736 -0.766 -6.308 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.116 -1.282 -7.915 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.022 0.867 -5.654 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.708 0.615 -6.459 1.00 0.00 H new ATOM 366 N PRO A 28 7.961 -4.778 -10.524 1.00 0.00 N ATOM 367 CA PRO A 28 7.021 -5.528 -11.363 1.00 0.00 C ATOM 368 C PRO A 28 5.677 -5.744 -10.677 1.00 0.00 C ATOM 369 O PRO A 28 5.485 -5.348 -9.528 1.00 0.00 O ATOM 370 CB PRO A 28 7.732 -6.866 -11.583 1.00 0.00 C ATOM 371 CG PRO A 28 8.637 -7.011 -10.409 1.00 0.00 C ATOM 372 CD PRO A 28 9.073 -5.618 -10.047 1.00 0.00 C ATOM 0 HA PRO A 28 6.786 -4.998 -12.286 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.019 -7.689 -11.638 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.293 -6.867 -12.518 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.121 -7.487 -9.575 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.495 -7.637 -10.653 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.226 -5.511 -8.973 1.00 0.00 H new ATOM 0 HD3 PRO A 28 10.013 -5.353 -10.531 1.00 0.00 H new ATOM 380 N ALA A 29 4.749 -6.375 -11.390 1.00 0.00 N ATOM 381 CA ALA A 29 3.423 -6.647 -10.848 1.00 0.00 C ATOM 382 C ALA A 29 3.327 -8.075 -10.322 1.00 0.00 C ATOM 383 O ALA A 29 3.094 -9.013 -11.083 1.00 0.00 O ATOM 384 CB ALA A 29 2.360 -6.400 -11.908 1.00 0.00 C ATOM 0 H ALA A 29 4.891 -6.707 -12.344 1.00 0.00 H new ATOM 0 HA ALA A 29 3.252 -5.968 -10.012 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.375 -6.607 -11.490 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.405 -5.361 -12.233 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.537 -7.055 -12.761 1.00 0.00 H new ATOM 390 N GLY A 30 3.508 -8.232 -9.014 1.00 0.00 N ATOM 391 CA GLY A 30 3.439 -9.549 -8.408 1.00 0.00 C ATOM 392 C GLY A 30 4.517 -9.765 -7.366 1.00 0.00 C ATOM 393 O GLY A 30 5.032 -10.873 -7.215 1.00 0.00 O ATOM 0 H GLY A 30 3.701 -7.471 -8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.460 -9.682 -7.947 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.532 -10.308 -9.185 1.00 0.00 H new ATOM 397 N VAL A 31 4.862 -8.704 -6.644 1.00 0.00 N ATOM 398 CA VAL A 31 5.887 -8.782 -5.610 1.00 0.00 C ATOM 399 C VAL A 31 5.424 -8.105 -4.325 1.00 0.00 C ATOM 400 O VAL A 31 4.419 -7.395 -4.313 1.00 0.00 O ATOM 401 CB VAL A 31 7.204 -8.132 -6.074 1.00 0.00 C ATOM 402 CG1 VAL A 31 7.962 -9.067 -7.004 1.00 0.00 C ATOM 403 CG2 VAL A 31 6.928 -6.799 -6.753 1.00 0.00 C ATOM 0 H VAL A 31 4.446 -7.779 -6.756 1.00 0.00 H new ATOM 0 HA VAL A 31 6.062 -9.841 -5.417 1.00 0.00 H new ATOM 0 HB VAL A 31 7.827 -7.946 -5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.890 -8.591 -7.322 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.191 -9.995 -6.480 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.349 -9.286 -7.878 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.869 -6.353 -7.075 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.287 -6.958 -7.620 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.430 -6.129 -6.051 1.00 0.00 H new ATOM 413 N GLU A 32 6.165 -8.330 -3.244 1.00 0.00 N ATOM 414 CA GLU A 32 5.830 -7.741 -1.953 1.00 0.00 C ATOM 415 C GLU A 32 6.790 -6.606 -1.606 1.00 0.00 C ATOM 416 O GLU A 32 7.976 -6.660 -1.932 1.00 0.00 O ATOM 417 CB GLU A 32 5.866 -8.807 -0.856 1.00 0.00 C ATOM 418 CG GLU A 32 4.987 -8.481 0.339 1.00 0.00 C ATOM 419 CD GLU A 32 5.468 -9.142 1.616 1.00 0.00 C ATOM 420 OE1 GLU A 32 6.688 -9.379 1.738 1.00 0.00 O ATOM 421 OE2 GLU A 32 4.624 -9.423 2.492 1.00 0.00 O ATOM 0 H GLU A 32 7.000 -8.915 -3.237 1.00 0.00 H new ATOM 0 HA GLU A 32 4.822 -7.333 -2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.551 -9.761 -1.278 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.894 -8.932 -0.517 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.960 -7.401 0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.966 -8.800 0.132 1.00 0.00 H new ATOM 428 N VAL A 33 6.268 -5.579 -0.944 1.00 0.00 N ATOM 429 CA VAL A 33 7.078 -4.431 -0.552 1.00 0.00 C ATOM 430 C VAL A 33 6.753 -3.989 0.870 1.00 0.00 C ATOM 431 O VAL A 33 5.611 -4.094 1.317 1.00 0.00 O ATOM 432 CB VAL A 33 6.866 -3.242 -1.508 1.00 0.00 C ATOM 433 CG1 VAL A 33 7.340 -3.593 -2.910 1.00 0.00 C ATOM 434 CG2 VAL A 33 5.403 -2.823 -1.521 1.00 0.00 C ATOM 0 H VAL A 33 5.288 -5.518 -0.668 1.00 0.00 H new ATOM 0 HA VAL A 33 8.120 -4.747 -0.602 1.00 0.00 H new ATOM 0 HB VAL A 33 7.459 -2.400 -1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.182 -2.741 -3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.401 -3.841 -2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.777 -4.449 -3.281 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.271 -1.982 -2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.788 -3.659 -1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.100 -2.528 -0.516 1.00 0.00 H new ATOM 444 N GLN A 34 7.765 -3.495 1.576 1.00 0.00 N ATOM 445 CA GLN A 34 7.587 -3.037 2.949 1.00 0.00 C ATOM 446 C GLN A 34 7.375 -1.528 2.996 1.00 0.00 C ATOM 447 O GLN A 34 8.177 -0.761 2.463 1.00 0.00 O ATOM 448 CB GLN A 34 8.799 -3.421 3.799 1.00 0.00 C ATOM 449 CG GLN A 34 8.672 -4.783 4.460 1.00 0.00 C ATOM 450 CD GLN A 34 10.017 -5.432 4.723 1.00 0.00 C ATOM 451 OE1 GLN A 34 10.900 -5.426 3.866 1.00 0.00 O ATOM 452 NE2 GLN A 34 10.179 -5.997 5.914 1.00 0.00 N ATOM 0 H GLN A 34 8.716 -3.402 1.220 1.00 0.00 H new ATOM 0 HA GLN A 34 6.700 -3.523 3.355 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.690 -3.413 3.171 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.946 -2.665 4.570 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.134 -4.677 5.402 1.00 0.00 H new ATOM 0 HG3 GLN A 34 8.075 -5.437 3.824 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.420 -5.979 6.595 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.063 -6.449 6.148 1.00 0.00 H new ATOM 461 N VAL A 35 6.289 -1.107 3.638 1.00 0.00 N ATOM 462 CA VAL A 35 5.972 0.311 3.755 1.00 0.00 C ATOM 463 C VAL A 35 6.671 0.933 4.959 1.00 0.00 C ATOM 464 O VAL A 35 6.228 0.776 6.097 1.00 0.00 O ATOM 465 CB VAL A 35 4.454 0.538 3.883 1.00 0.00 C ATOM 466 CG1 VAL A 35 4.164 1.953 4.361 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.760 0.261 2.558 1.00 0.00 C ATOM 0 H VAL A 35 5.614 -1.728 4.085 1.00 0.00 H new ATOM 0 HA VAL A 35 6.328 0.791 2.844 1.00 0.00 H new ATOM 0 HB VAL A 35 4.061 -0.158 4.625 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.087 2.095 4.445 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.628 2.110 5.335 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.569 2.669 3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.688 0.426 2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.155 0.931 1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.939 -0.773 2.262 1.00 0.00 H new ATOM 477 N LEU A 36 7.766 1.640 4.700 1.00 0.00 N ATOM 478 CA LEU A 36 8.527 2.287 5.763 1.00 0.00 C ATOM 479 C LEU A 36 7.730 3.428 6.387 1.00 0.00 C ATOM 480 O LEU A 36 7.454 3.421 7.586 1.00 0.00 O ATOM 481 CB LEU A 36 9.855 2.816 5.217 1.00 0.00 C ATOM 482 CG LEU A 36 10.736 1.797 4.493 1.00 0.00 C ATOM 483 CD1 LEU A 36 12.126 2.367 4.257 1.00 0.00 C ATOM 484 CD2 LEU A 36 10.817 0.502 5.288 1.00 0.00 C ATOM 0 H LEU A 36 8.146 1.780 3.764 1.00 0.00 H new ATOM 0 HA LEU A 36 8.728 1.545 6.535 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.642 3.635 4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.425 3.235 6.046 1.00 0.00 H new ATOM 0 HG LEU A 36 10.286 1.578 3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 36 12.739 1.628 3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 36 12.051 3.267 3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.585 2.615 5.214 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.448 -0.212 4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.244 0.704 6.270 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.817 0.084 5.406 1.00 0.00 H new ATOM 496 N GLU A 37 7.363 4.405 5.564 1.00 0.00 N ATOM 497 CA GLU A 37 6.596 5.552 6.037 1.00 0.00 C ATOM 498 C GLU A 37 5.557 5.975 5.002 1.00 0.00 C ATOM 499 O GLU A 37 5.591 5.532 3.853 1.00 0.00 O ATOM 500 CB GLU A 37 7.529 6.724 6.347 1.00 0.00 C ATOM 501 CG GLU A 37 7.000 7.654 7.426 1.00 0.00 C ATOM 502 CD GLU A 37 6.148 8.775 6.864 1.00 0.00 C ATOM 503 OE1 GLU A 37 6.481 9.282 5.772 1.00 0.00 O ATOM 504 OE2 GLU A 37 5.150 9.146 7.516 1.00 0.00 O ATOM 0 H GLU A 37 7.584 4.426 4.568 1.00 0.00 H new ATOM 0 HA GLU A 37 6.077 5.259 6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.498 6.334 6.659 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.695 7.297 5.435 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.411 7.078 8.140 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.839 8.081 7.976 1.00 0.00 H new ATOM 511 N LYS A 38 4.633 6.834 5.417 1.00 0.00 N ATOM 512 CA LYS A 38 3.583 7.319 4.529 1.00 0.00 C ATOM 513 C LYS A 38 3.522 8.843 4.540 1.00 0.00 C ATOM 514 O LYS A 38 3.797 9.476 5.559 1.00 0.00 O ATOM 515 CB LYS A 38 2.228 6.741 4.943 1.00 0.00 C ATOM 516 CG LYS A 38 2.190 5.222 4.943 1.00 0.00 C ATOM 517 CD LYS A 38 0.868 4.698 5.479 1.00 0.00 C ATOM 518 CE LYS A 38 0.513 3.352 4.866 1.00 0.00 C ATOM 519 NZ LYS A 38 -0.940 3.052 4.991 1.00 0.00 N ATOM 0 H LYS A 38 4.590 7.209 6.364 1.00 0.00 H new ATOM 0 HA LYS A 38 3.817 6.989 3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.977 7.103 5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.460 7.116 4.266 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.345 4.853 3.929 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.009 4.836 5.551 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.926 4.601 6.563 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.077 5.417 5.265 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.796 3.346 3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.089 2.567 5.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.065 2.074 5.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.372 3.707 5.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.399 3.165 4.065 1.00 0.00 H new ATOM 533 N GLN A 39 3.158 9.425 3.402 1.00 0.00 N ATOM 534 CA GLN A 39 3.060 10.875 3.282 1.00 0.00 C ATOM 535 C GLN A 39 1.625 11.301 2.989 1.00 0.00 C ATOM 536 O GLN A 39 0.942 10.689 2.169 1.00 0.00 O ATOM 537 CB GLN A 39 3.991 11.381 2.179 1.00 0.00 C ATOM 538 CG GLN A 39 5.455 11.416 2.587 1.00 0.00 C ATOM 539 CD GLN A 39 5.806 12.649 3.395 1.00 0.00 C ATOM 540 OE1 GLN A 39 5.732 13.773 2.898 1.00 0.00 O ATOM 541 NE2 GLN A 39 6.191 12.445 4.650 1.00 0.00 N ATOM 0 H GLN A 39 2.926 8.915 2.550 1.00 0.00 H new ATOM 0 HA GLN A 39 3.363 11.314 4.232 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.882 10.743 1.302 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.680 12.383 1.884 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.687 10.525 3.171 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.078 11.382 1.693 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.238 11.496 5.021 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.440 13.237 5.242 1.00 0.00 H new ATOM 550 N GLU A 40 1.176 12.354 3.665 1.00 0.00 N ATOM 551 CA GLU A 40 -0.178 12.860 3.477 1.00 0.00 C ATOM 552 C GLU A 40 -0.534 12.924 1.994 1.00 0.00 C ATOM 553 O GLU A 40 -1.603 12.473 1.582 1.00 0.00 O ATOM 554 CB GLU A 40 -0.320 14.248 4.106 1.00 0.00 C ATOM 555 CG GLU A 40 -1.728 14.558 4.586 1.00 0.00 C ATOM 556 CD GLU A 40 -2.007 14.009 5.971 1.00 0.00 C ATOM 557 OE1 GLU A 40 -1.446 14.550 6.947 1.00 0.00 O ATOM 558 OE2 GLU A 40 -2.785 13.038 6.080 1.00 0.00 O ATOM 0 H GLU A 40 1.730 12.872 4.347 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.866 12.173 3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.368 14.328 4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.020 15.000 3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.877 15.638 4.591 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.448 14.140 3.882 1.00 0.00 H new ATOM 565 N SER A 41 0.369 13.487 1.198 1.00 0.00 N ATOM 566 CA SER A 41 0.149 13.613 -0.238 1.00 0.00 C ATOM 567 C SER A 41 -0.465 12.338 -0.808 1.00 0.00 C ATOM 568 O SER A 41 -1.405 12.389 -1.600 1.00 0.00 O ATOM 569 CB SER A 41 1.467 13.922 -0.951 1.00 0.00 C ATOM 570 OG SER A 41 2.449 12.945 -0.654 1.00 0.00 O ATOM 0 H SER A 41 1.260 13.863 1.523 1.00 0.00 H new ATOM 0 HA SER A 41 -0.547 14.435 -0.404 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.301 13.960 -2.028 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.826 14.906 -0.649 1.00 0.00 H new ATOM 0 HG SER A 41 3.281 13.164 -1.123 1.00 0.00 H new ATOM 576 N GLY A 42 0.076 11.194 -0.399 1.00 0.00 N ATOM 577 CA GLY A 42 -0.430 9.922 -0.879 1.00 0.00 C ATOM 578 C GLY A 42 0.680 8.943 -1.207 1.00 0.00 C ATOM 579 O GLY A 42 0.469 7.730 -1.201 1.00 0.00 O ATOM 0 H GLY A 42 0.855 11.126 0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.083 9.486 -0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.038 10.089 -1.768 1.00 0.00 H new ATOM 583 N TRP A 43 1.865 9.470 -1.495 1.00 0.00 N ATOM 584 CA TRP A 43 3.012 8.634 -1.829 1.00 0.00 C ATOM 585 C TRP A 43 3.613 8.007 -0.576 1.00 0.00 C ATOM 586 O TRP A 43 3.910 8.703 0.395 1.00 0.00 O ATOM 587 CB TRP A 43 4.073 9.457 -2.562 1.00 0.00 C ATOM 588 CG TRP A 43 3.656 9.870 -3.941 1.00 0.00 C ATOM 589 CD1 TRP A 43 2.762 10.850 -4.268 1.00 0.00 C ATOM 590 CD2 TRP A 43 4.115 9.314 -5.178 1.00 0.00 C ATOM 591 NE1 TRP A 43 2.638 10.936 -5.634 1.00 0.00 N ATOM 592 CE2 TRP A 43 3.459 10.006 -6.215 1.00 0.00 C ATOM 593 CE3 TRP A 43 5.019 8.301 -5.511 1.00 0.00 C ATOM 594 CZ2 TRP A 43 3.677 9.714 -7.558 1.00 0.00 C ATOM 595 CZ3 TRP A 43 5.234 8.013 -6.845 1.00 0.00 C ATOM 596 CH2 TRP A 43 4.567 8.717 -7.855 1.00 0.00 C ATOM 0 H TRP A 43 2.056 10.472 -1.504 1.00 0.00 H new ATOM 0 HA TRP A 43 2.668 7.833 -2.483 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.300 10.348 -1.977 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.993 8.876 -2.627 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.231 11.466 -3.558 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.033 11.587 -6.134 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.540 7.753 -4.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.162 10.255 -8.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.929 7.231 -7.114 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.758 8.469 -8.888 1.00 0.00 H new ATOM 607 N TRP A 44 3.789 6.691 -0.604 1.00 0.00 N ATOM 608 CA TRP A 44 4.355 5.972 0.532 1.00 0.00 C ATOM 609 C TRP A 44 5.727 5.404 0.187 1.00 0.00 C ATOM 610 O TRP A 44 5.967 4.979 -0.943 1.00 0.00 O ATOM 611 CB TRP A 44 3.417 4.845 0.967 1.00 0.00 C ATOM 612 CG TRP A 44 2.024 5.312 1.263 1.00 0.00 C ATOM 613 CD1 TRP A 44 1.611 6.602 1.435 1.00 0.00 C ATOM 614 CD2 TRP A 44 0.861 4.492 1.424 1.00 0.00 C ATOM 615 NE1 TRP A 44 0.262 6.634 1.693 1.00 0.00 N ATOM 616 CE2 TRP A 44 -0.222 5.353 1.691 1.00 0.00 C ATOM 617 CE3 TRP A 44 0.629 3.115 1.366 1.00 0.00 C ATOM 618 CZ2 TRP A 44 -1.514 4.879 1.900 1.00 0.00 C ATOM 619 CZ3 TRP A 44 -0.655 2.647 1.575 1.00 0.00 C ATOM 620 CH2 TRP A 44 -1.713 3.527 1.838 1.00 0.00 C ATOM 0 H TRP A 44 3.548 6.100 -1.400 1.00 0.00 H new ATOM 0 HA TRP A 44 4.471 6.677 1.356 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.380 4.090 0.182 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.827 4.363 1.854 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.251 7.470 1.377 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.290 7.476 1.859 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.438 2.429 1.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.331 5.555 2.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.846 1.585 1.535 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.705 3.130 1.995 1.00 0.00 H new ATOM 631 N TYR A 45 6.624 5.400 1.167 1.00 0.00 N ATOM 632 CA TYR A 45 7.973 4.885 0.966 1.00 0.00 C ATOM 633 C TYR A 45 8.009 3.369 1.130 1.00 0.00 C ATOM 634 O TYR A 45 7.890 2.850 2.240 1.00 0.00 O ATOM 635 CB TYR A 45 8.943 5.539 1.952 1.00 0.00 C ATOM 636 CG TYR A 45 10.384 5.509 1.494 1.00 0.00 C ATOM 637 CD1 TYR A 45 10.727 5.853 0.192 1.00 0.00 C ATOM 638 CD2 TYR A 45 11.402 5.134 2.362 1.00 0.00 C ATOM 639 CE1 TYR A 45 12.042 5.827 -0.231 1.00 0.00 C ATOM 640 CE2 TYR A 45 12.719 5.106 1.948 1.00 0.00 C ATOM 641 CZ TYR A 45 13.034 5.453 0.651 1.00 0.00 C ATOM 642 OH TYR A 45 14.345 5.424 0.234 1.00 0.00 O ATOM 0 H TYR A 45 6.441 5.748 2.108 1.00 0.00 H new ATOM 0 HA TYR A 45 8.279 5.129 -0.051 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.643 6.575 2.111 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.866 5.033 2.914 1.00 0.00 H new ATOM 0 HD1 TYR A 45 9.952 6.146 -0.501 1.00 0.00 H new ATOM 0 HD2 TYR A 45 11.159 4.860 3.378 1.00 0.00 H new ATOM 0 HE1 TYR A 45 12.292 6.098 -1.246 1.00 0.00 H new ATOM 0 HE2 TYR A 45 13.498 4.814 2.636 1.00 0.00 H new ATOM 0 HH TYR A 45 14.400 4.986 -0.641 1.00 0.00 H new ATOM 652 N VAL A 46 8.173 2.663 0.016 1.00 0.00 N ATOM 653 CA VAL A 46 8.226 1.206 0.035 1.00 0.00 C ATOM 654 C VAL A 46 9.641 0.704 -0.229 1.00 0.00 C ATOM 655 O VAL A 46 10.484 1.437 -0.747 1.00 0.00 O ATOM 656 CB VAL A 46 7.274 0.596 -1.011 1.00 0.00 C ATOM 657 CG1 VAL A 46 5.883 0.411 -0.423 1.00 0.00 C ATOM 658 CG2 VAL A 46 7.223 1.468 -2.257 1.00 0.00 C ATOM 0 H VAL A 46 8.271 3.076 -0.911 1.00 0.00 H new ATOM 0 HA VAL A 46 7.911 0.891 1.030 1.00 0.00 H new ATOM 0 HB VAL A 46 7.655 -0.384 -1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.224 -0.021 -1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.937 -0.256 0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.490 1.378 -0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.546 1.022 -2.986 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.866 2.463 -1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.221 1.545 -2.689 1.00 0.00 H new ATOM 668 N ARG A 47 9.895 -0.550 0.131 1.00 0.00 N ATOM 669 CA ARG A 47 11.209 -1.150 -0.067 1.00 0.00 C ATOM 670 C ARG A 47 11.105 -2.427 -0.896 1.00 0.00 C ATOM 671 O ARG A 47 10.362 -3.345 -0.549 1.00 0.00 O ATOM 672 CB ARG A 47 11.861 -1.457 1.283 1.00 0.00 C ATOM 673 CG ARG A 47 13.234 -2.097 1.164 1.00 0.00 C ATOM 674 CD ARG A 47 13.627 -2.814 2.447 1.00 0.00 C ATOM 675 NE ARG A 47 14.004 -1.878 3.503 1.00 0.00 N ATOM 676 CZ ARG A 47 14.415 -2.256 4.708 1.00 0.00 C ATOM 677 NH1 ARG A 47 14.504 -3.545 5.008 1.00 0.00 N ATOM 678 NH2 ARG A 47 14.740 -1.345 5.616 1.00 0.00 N ATOM 0 H ARG A 47 9.209 -1.170 0.561 1.00 0.00 H new ATOM 0 HA ARG A 47 11.829 -0.436 -0.609 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.949 -0.532 1.853 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.208 -2.121 1.850 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.236 -2.805 0.335 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.975 -1.332 0.932 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.794 -3.429 2.788 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.460 -3.488 2.245 1.00 0.00 H new ATOM 0 HE ARG A 47 13.949 -0.879 3.304 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.256 -4.249 4.312 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.820 -3.832 5.934 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.674 -0.353 5.389 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.055 -1.637 6.541 1.00 0.00 H new ATOM 692 N PHE A 48 11.854 -2.477 -1.992 1.00 0.00 N ATOM 693 CA PHE A 48 11.844 -3.640 -2.872 1.00 0.00 C ATOM 694 C PHE A 48 13.208 -4.324 -2.883 1.00 0.00 C ATOM 695 O PHE A 48 14.120 -3.905 -3.594 1.00 0.00 O ATOM 696 CB PHE A 48 11.457 -3.227 -4.294 1.00 0.00 C ATOM 697 CG PHE A 48 11.293 -4.389 -5.231 1.00 0.00 C ATOM 698 CD1 PHE A 48 10.505 -5.473 -4.881 1.00 0.00 C ATOM 699 CD2 PHE A 48 11.928 -4.397 -6.463 1.00 0.00 C ATOM 700 CE1 PHE A 48 10.353 -6.544 -5.742 1.00 0.00 C ATOM 701 CE2 PHE A 48 11.779 -5.465 -7.328 1.00 0.00 C ATOM 702 CZ PHE A 48 10.990 -6.540 -6.967 1.00 0.00 C ATOM 0 H PHE A 48 12.476 -1.726 -2.292 1.00 0.00 H new ATOM 0 HA PHE A 48 11.105 -4.346 -2.492 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.524 -2.664 -4.259 1.00 0.00 H new ATOM 0 HB3 PHE A 48 12.220 -2.556 -4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.004 -5.482 -3.925 1.00 0.00 H new ATOM 0 HD2 PHE A 48 12.546 -3.559 -6.750 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.736 -7.383 -5.457 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.279 -5.459 -8.285 1.00 0.00 H new ATOM 0 HZ PHE A 48 10.872 -7.375 -7.641 1.00 0.00 H new ATOM 712 N GLY A 49 13.339 -5.382 -2.088 1.00 0.00 N ATOM 713 CA GLY A 49 14.594 -6.108 -2.020 1.00 0.00 C ATOM 714 C GLY A 49 15.662 -5.349 -1.258 1.00 0.00 C ATOM 715 O GLY A 49 15.731 -5.425 -0.032 1.00 0.00 O ATOM 0 H GLY A 49 12.599 -5.749 -1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 49 14.427 -7.073 -1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 49 14.948 -6.311 -3.031 1.00 0.00 H new ATOM 719 N GLU A 50 16.498 -4.616 -1.987 1.00 0.00 N ATOM 720 CA GLU A 50 17.570 -3.843 -1.371 1.00 0.00 C ATOM 721 C GLU A 50 17.472 -2.371 -1.762 1.00 0.00 C ATOM 722 O GLU A 50 18.466 -1.644 -1.740 1.00 0.00 O ATOM 723 CB GLU A 50 18.934 -4.401 -1.783 1.00 0.00 C ATOM 724 CG GLU A 50 19.383 -5.588 -0.947 1.00 0.00 C ATOM 725 CD GLU A 50 18.497 -6.804 -1.136 1.00 0.00 C ATOM 726 OE1 GLU A 50 18.509 -7.379 -2.245 1.00 0.00 O ATOM 727 OE2 GLU A 50 17.792 -7.180 -0.177 1.00 0.00 O ATOM 0 H GLU A 50 16.454 -4.541 -3.003 1.00 0.00 H new ATOM 0 HA GLU A 50 17.465 -3.923 -0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 50 18.894 -4.699 -2.831 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.680 -3.610 -1.705 1.00 0.00 H new ATOM 0 HG2 GLU A 50 20.409 -5.846 -1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 50 19.386 -5.306 0.106 1.00 0.00 H new ATOM 734 N LEU A 51 16.268 -1.939 -2.119 1.00 0.00 N ATOM 735 CA LEU A 51 16.039 -0.554 -2.516 1.00 0.00 C ATOM 736 C LEU A 51 14.783 0.002 -1.851 1.00 0.00 C ATOM 737 O LEU A 51 13.938 -0.752 -1.372 1.00 0.00 O ATOM 738 CB LEU A 51 15.912 -0.452 -4.037 1.00 0.00 C ATOM 739 CG LEU A 51 17.106 -0.962 -4.845 1.00 0.00 C ATOM 740 CD1 LEU A 51 16.724 -1.141 -6.306 1.00 0.00 C ATOM 741 CD2 LEU A 51 18.285 -0.009 -4.713 1.00 0.00 C ATOM 0 H LEU A 51 15.435 -2.527 -2.142 1.00 0.00 H new ATOM 0 HA LEU A 51 16.894 0.038 -2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.026 -1.007 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 51 15.741 0.592 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 51 17.402 -1.932 -4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 51 17.586 -1.504 -6.866 1.00 0.00 H new ATOM 0 HD12 LEU A 51 15.911 -1.862 -6.384 1.00 0.00 H new ATOM 0 HD13 LEU A 51 16.401 -0.185 -6.718 1.00 0.00 H new ATOM 0 HD21 LEU A 51 19.126 -0.388 -5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 51 18.001 0.975 -5.085 1.00 0.00 H new ATOM 0 HD23 LEU A 51 18.574 0.069 -3.665 1.00 0.00 H new ATOM 753 N GLU A 52 14.669 1.326 -1.829 1.00 0.00 N ATOM 754 CA GLU A 52 13.515 1.983 -1.224 1.00 0.00 C ATOM 755 C GLU A 52 13.061 3.170 -2.068 1.00 0.00 C ATOM 756 O GLU A 52 13.780 4.158 -2.207 1.00 0.00 O ATOM 757 CB GLU A 52 13.851 2.449 0.194 1.00 0.00 C ATOM 758 CG GLU A 52 14.199 1.314 1.142 1.00 0.00 C ATOM 759 CD GLU A 52 15.133 1.748 2.254 1.00 0.00 C ATOM 760 OE1 GLU A 52 16.072 2.522 1.972 1.00 0.00 O ATOM 761 OE2 GLU A 52 14.926 1.315 3.407 1.00 0.00 O ATOM 0 H GLU A 52 15.360 1.965 -2.222 1.00 0.00 H new ATOM 0 HA GLU A 52 12.700 1.260 -1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.690 3.144 0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.001 3.000 0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.283 0.915 1.577 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.663 0.504 0.579 1.00 0.00 H new ATOM 768 N GLY A 53 11.861 3.064 -2.631 1.00 0.00 N ATOM 769 CA GLY A 53 11.330 4.135 -3.454 1.00 0.00 C ATOM 770 C GLY A 53 9.927 4.538 -3.048 1.00 0.00 C ATOM 771 O GLY A 53 9.199 3.751 -2.442 1.00 0.00 O ATOM 0 H GLY A 53 11.247 2.255 -2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.988 5.002 -3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.326 3.819 -4.497 1.00 0.00 H new ATOM 775 N TRP A 54 9.546 5.766 -3.381 1.00 0.00 N ATOM 776 CA TRP A 54 8.220 6.272 -3.045 1.00 0.00 C ATOM 777 C TRP A 54 7.187 5.814 -4.068 1.00 0.00 C ATOM 778 O TRP A 54 7.150 6.313 -5.192 1.00 0.00 O ATOM 779 CB TRP A 54 8.239 7.800 -2.970 1.00 0.00 C ATOM 780 CG TRP A 54 9.091 8.330 -1.856 1.00 0.00 C ATOM 781 CD1 TRP A 54 10.410 8.678 -1.928 1.00 0.00 C ATOM 782 CD2 TRP A 54 8.683 8.570 -0.505 1.00 0.00 C ATOM 783 NE1 TRP A 54 10.846 9.119 -0.702 1.00 0.00 N ATOM 784 CE2 TRP A 54 9.806 9.064 0.187 1.00 0.00 C ATOM 785 CE3 TRP A 54 7.478 8.417 0.187 1.00 0.00 C ATOM 786 CZ2 TRP A 54 9.757 9.404 1.537 1.00 0.00 C ATOM 787 CZ3 TRP A 54 7.432 8.755 1.526 1.00 0.00 C ATOM 788 CH2 TRP A 54 8.565 9.245 2.189 1.00 0.00 C ATOM 0 H TRP A 54 10.136 6.429 -3.883 1.00 0.00 H new ATOM 0 HA TRP A 54 7.941 5.870 -2.071 1.00 0.00 H new ATOM 0 HB2 TRP A 54 8.603 8.199 -3.917 1.00 0.00 H new ATOM 0 HB3 TRP A 54 7.219 8.163 -2.842 1.00 0.00 H new ATOM 0 HD1 TRP A 54 11.020 8.616 -2.817 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.792 9.436 -0.489 1.00 0.00 H new ATOM 0 HE3 TRP A 54 6.599 8.041 -0.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 10.629 9.780 2.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 6.507 8.640 2.071 1.00 0.00 H new ATOM 0 HH2 TRP A 54 8.496 9.502 3.236 1.00 0.00 H new ATOM 799 N ALA A 55 6.350 4.861 -3.671 1.00 0.00 N ATOM 800 CA ALA A 55 5.315 4.337 -4.554 1.00 0.00 C ATOM 801 C ALA A 55 3.927 4.756 -4.082 1.00 0.00 C ATOM 802 O ALA A 55 3.657 4.858 -2.885 1.00 0.00 O ATOM 803 CB ALA A 55 5.410 2.821 -4.638 1.00 0.00 C ATOM 0 H ALA A 55 6.368 4.436 -2.744 1.00 0.00 H new ATOM 0 HA ALA A 55 5.474 4.756 -5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.631 2.444 -5.301 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.387 2.539 -5.029 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.280 2.393 -3.644 1.00 0.00 H new ATOM 809 N PRO A 56 3.024 5.006 -5.042 1.00 0.00 N ATOM 810 CA PRO A 56 1.649 5.419 -4.748 1.00 0.00 C ATOM 811 C PRO A 56 0.826 4.293 -4.131 1.00 0.00 C ATOM 812 O PRO A 56 0.883 3.150 -4.582 1.00 0.00 O ATOM 813 CB PRO A 56 1.091 5.798 -6.122 1.00 0.00 C ATOM 814 CG PRO A 56 1.904 5.011 -7.091 1.00 0.00 C ATOM 815 CD PRO A 56 3.277 4.905 -6.489 1.00 0.00 C ATOM 0 HA PRO A 56 1.613 6.230 -4.020 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.032 5.551 -6.201 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.183 6.869 -6.305 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.471 4.024 -7.252 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.941 5.505 -8.062 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.758 3.962 -6.748 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.932 5.703 -6.839 1.00 0.00 H new ATOM 823 N SER A 57 0.060 4.625 -3.096 1.00 0.00 N ATOM 824 CA SER A 57 -0.773 3.641 -2.415 1.00 0.00 C ATOM 825 C SER A 57 -1.841 3.089 -3.355 1.00 0.00 C ATOM 826 O SER A 57 -2.443 2.049 -3.087 1.00 0.00 O ATOM 827 CB SER A 57 -1.434 4.265 -1.184 1.00 0.00 C ATOM 828 OG SER A 57 -2.421 5.210 -1.559 1.00 0.00 O ATOM 0 H SER A 57 -0.001 5.568 -2.711 1.00 0.00 H new ATOM 0 HA SER A 57 -0.133 2.818 -2.097 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.888 3.483 -0.575 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.677 4.750 -0.568 1.00 0.00 H new ATOM 0 HG SER A 57 -2.937 5.474 -0.769 1.00 0.00 H new ATOM 834 N HIS A 58 -2.071 3.794 -4.458 1.00 0.00 N ATOM 835 CA HIS A 58 -3.065 3.375 -5.439 1.00 0.00 C ATOM 836 C HIS A 58 -2.652 2.068 -6.109 1.00 0.00 C ATOM 837 O HIS A 58 -3.497 1.248 -6.467 1.00 0.00 O ATOM 838 CB HIS A 58 -3.260 4.464 -6.495 1.00 0.00 C ATOM 839 CG HIS A 58 -3.492 5.825 -5.916 1.00 0.00 C ATOM 840 ND1 HIS A 58 -2.470 6.706 -5.632 1.00 0.00 N ATOM 841 CD2 HIS A 58 -4.638 6.457 -5.570 1.00 0.00 C ATOM 842 CE1 HIS A 58 -2.977 7.820 -5.134 1.00 0.00 C ATOM 843 NE2 HIS A 58 -4.291 7.694 -5.086 1.00 0.00 N ATOM 0 H HIS A 58 -1.583 4.658 -4.695 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.008 3.212 -4.917 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.380 4.497 -7.138 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -4.107 4.198 -7.127 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.639 6.062 -5.658 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -2.413 8.686 -4.820 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -4.942 8.401 -4.745 1.00 0.00 H new ATOM 852 N TYR A 59 -1.347 1.882 -6.276 1.00 0.00 N ATOM 853 CA TYR A 59 -0.821 0.677 -6.906 1.00 0.00 C ATOM 854 C TYR A 59 -0.692 -0.456 -5.892 1.00 0.00 C ATOM 855 O TYR A 59 -0.829 -1.631 -6.234 1.00 0.00 O ATOM 856 CB TYR A 59 0.538 0.962 -7.545 1.00 0.00 C ATOM 857 CG TYR A 59 0.451 1.771 -8.819 1.00 0.00 C ATOM 858 CD1 TYR A 59 -0.130 3.033 -8.825 1.00 0.00 C ATOM 859 CD2 TYR A 59 0.949 1.274 -10.018 1.00 0.00 C ATOM 860 CE1 TYR A 59 -0.213 3.777 -9.986 1.00 0.00 C ATOM 861 CE2 TYR A 59 0.871 2.011 -11.184 1.00 0.00 C ATOM 862 CZ TYR A 59 0.289 3.261 -11.163 1.00 0.00 C ATOM 863 OH TYR A 59 0.209 3.998 -12.323 1.00 0.00 O ATOM 0 H TYR A 59 -0.634 2.551 -5.984 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.522 0.368 -7.682 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.162 1.495 -6.828 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.035 0.016 -7.759 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.524 3.440 -7.905 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.405 0.295 -10.038 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.668 4.756 -9.972 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.264 1.610 -12.107 1.00 0.00 H new ATOM 0 HH TYR A 59 0.609 3.492 -13.060 1.00 0.00 H new ATOM 873 N LEU A 60 -0.428 -0.093 -4.641 1.00 0.00 N ATOM 874 CA LEU A 60 -0.280 -1.077 -3.575 1.00 0.00 C ATOM 875 C LEU A 60 -1.635 -1.650 -3.171 1.00 0.00 C ATOM 876 O LEU A 60 -2.676 -1.037 -3.408 1.00 0.00 O ATOM 877 CB LEU A 60 0.401 -0.444 -2.360 1.00 0.00 C ATOM 878 CG LEU A 60 1.816 0.091 -2.588 1.00 0.00 C ATOM 879 CD1 LEU A 60 2.295 0.866 -1.370 1.00 0.00 C ATOM 880 CD2 LEU A 60 2.772 -1.048 -2.908 1.00 0.00 C ATOM 0 H LEU A 60 -0.312 0.875 -4.341 1.00 0.00 H new ATOM 0 HA LEU A 60 0.341 -1.891 -3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.223 0.376 -2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.438 -1.185 -1.562 1.00 0.00 H new ATOM 0 HG LEU A 60 1.795 0.770 -3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.303 1.239 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.625 1.706 -1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.301 0.209 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.774 -0.649 -3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.790 -1.752 -2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.438 -1.561 -3.810 1.00 0.00 H new ATOM 892 N VAL A 61 -1.614 -2.828 -2.556 1.00 0.00 N ATOM 893 CA VAL A 61 -2.841 -3.483 -2.115 1.00 0.00 C ATOM 894 C VAL A 61 -2.965 -3.451 -0.596 1.00 0.00 C ATOM 895 O VAL A 61 -2.088 -3.937 0.120 1.00 0.00 O ATOM 896 CB VAL A 61 -2.900 -4.945 -2.594 1.00 0.00 C ATOM 897 CG1 VAL A 61 -4.067 -5.673 -1.945 1.00 0.00 C ATOM 898 CG2 VAL A 61 -3.000 -5.005 -4.111 1.00 0.00 C ATOM 0 H VAL A 61 -0.761 -3.349 -2.352 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.671 -2.931 -2.556 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.979 -5.445 -2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.093 -6.705 -2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.946 -5.661 -0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.000 -5.176 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.041 -6.046 -4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.903 -4.489 -4.437 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.128 -4.523 -4.552 1.00 0.00 H new ATOM 908 N LEU A 62 -4.060 -2.877 -0.110 1.00 0.00 N ATOM 909 CA LEU A 62 -4.300 -2.782 1.326 1.00 0.00 C ATOM 910 C LEU A 62 -5.281 -3.855 1.786 1.00 0.00 C ATOM 911 O LEU A 62 -6.493 -3.718 1.613 1.00 0.00 O ATOM 912 CB LEU A 62 -4.840 -1.395 1.682 1.00 0.00 C ATOM 913 CG LEU A 62 -3.997 -0.207 1.217 1.00 0.00 C ATOM 914 CD1 LEU A 62 -4.410 0.226 -0.181 1.00 0.00 C ATOM 915 CD2 LEU A 62 -4.123 0.951 2.195 1.00 0.00 C ATOM 0 H LEU A 62 -4.795 -2.471 -0.688 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.351 -2.939 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.838 -1.295 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.948 -1.336 2.765 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.953 -0.517 1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.799 1.072 -0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.267 -0.602 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.460 0.518 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.517 1.788 1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.166 1.261 2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.777 0.635 3.179 1.00 0.00 H new ATOM 927 N ASP A 63 -4.750 -4.922 2.373 1.00 0.00 N ATOM 928 CA ASP A 63 -5.579 -6.018 2.862 1.00 0.00 C ATOM 929 C ASP A 63 -6.728 -6.302 1.898 1.00 0.00 C ATOM 930 O ASP A 63 -7.773 -6.812 2.298 1.00 0.00 O ATOM 931 CB ASP A 63 -6.131 -5.689 4.250 1.00 0.00 C ATOM 932 CG ASP A 63 -6.418 -6.933 5.068 1.00 0.00 C ATOM 933 OD1 ASP A 63 -7.276 -7.735 4.646 1.00 0.00 O ATOM 934 OD2 ASP A 63 -5.785 -7.102 6.132 1.00 0.00 O ATOM 0 H ASP A 63 -3.749 -5.051 2.522 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.956 -6.910 2.930 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.415 -5.064 4.784 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.047 -5.107 4.145 1.00 0.00 H new ATOM 939 N GLU A 64 -6.525 -5.965 0.628 1.00 0.00 N ATOM 940 CA GLU A 64 -7.545 -6.183 -0.391 1.00 0.00 C ATOM 941 C GLU A 64 -7.180 -7.367 -1.281 1.00 0.00 C ATOM 942 O GLU A 64 -7.129 -7.245 -2.504 1.00 0.00 O ATOM 943 CB GLU A 64 -7.721 -4.925 -1.244 1.00 0.00 C ATOM 944 CG GLU A 64 -9.047 -4.872 -1.984 1.00 0.00 C ATOM 945 CD GLU A 64 -10.235 -4.766 -1.047 1.00 0.00 C ATOM 946 OE1 GLU A 64 -10.122 -4.057 -0.025 1.00 0.00 O ATOM 947 OE2 GLU A 64 -11.276 -5.392 -1.336 1.00 0.00 O ATOM 0 H GLU A 64 -5.665 -5.541 0.281 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.485 -6.406 0.114 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.637 -4.047 -0.603 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.908 -4.870 -1.968 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.047 -4.018 -2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.152 -5.767 -2.598 1.00 0.00 H new ATOM 954 N ASN A 65 -6.927 -8.513 -0.658 1.00 0.00 N ATOM 955 CA ASN A 65 -6.566 -9.720 -1.393 1.00 0.00 C ATOM 956 C ASN A 65 -7.503 -10.872 -1.041 1.00 0.00 C ATOM 957 O ASN A 65 -7.579 -11.291 0.114 1.00 0.00 O ATOM 958 CB ASN A 65 -5.119 -10.113 -1.089 1.00 0.00 C ATOM 959 CG ASN A 65 -4.662 -11.308 -1.904 1.00 0.00 C ATOM 960 OD1 ASN A 65 -4.673 -11.274 -3.135 1.00 0.00 O ATOM 961 ND2 ASN A 65 -4.257 -12.371 -1.219 1.00 0.00 N ATOM 0 H ASN A 65 -6.965 -8.632 0.354 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.662 -9.510 -2.458 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.465 -9.266 -1.293 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -5.023 -10.342 -0.028 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.938 -13.205 -1.713 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.265 -12.354 -0.199 1.00 0.00 H new ATOM 968 N GLU A 66 -8.212 -11.379 -2.044 1.00 0.00 N ATOM 969 CA GLU A 66 -9.143 -12.482 -1.840 1.00 0.00 C ATOM 970 C GLU A 66 -8.423 -13.824 -1.921 1.00 0.00 C ATOM 971 O GLU A 66 -8.218 -14.365 -3.008 1.00 0.00 O ATOM 972 CB GLU A 66 -10.266 -12.430 -2.878 1.00 0.00 C ATOM 973 CG GLU A 66 -11.367 -11.440 -2.535 1.00 0.00 C ATOM 974 CD GLU A 66 -12.031 -11.744 -1.206 1.00 0.00 C ATOM 975 OE1 GLU A 66 -12.548 -12.869 -1.045 1.00 0.00 O ATOM 976 OE2 GLU A 66 -12.034 -10.857 -0.327 1.00 0.00 O ATOM 0 H GLU A 66 -8.159 -11.044 -3.006 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.574 -12.380 -0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.842 -12.167 -3.847 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.702 -13.424 -2.980 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.950 -10.433 -2.507 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.119 -11.451 -3.324 1.00 0.00 H new ATOM 983 N GLN A 67 -8.040 -14.355 -0.764 1.00 0.00 N ATOM 984 CA GLN A 67 -7.341 -15.633 -0.704 1.00 0.00 C ATOM 985 C GLN A 67 -7.883 -16.600 -1.752 1.00 0.00 C ATOM 986 O GLN A 67 -9.068 -16.590 -2.087 1.00 0.00 O ATOM 987 CB GLN A 67 -7.475 -16.247 0.690 1.00 0.00 C ATOM 988 CG GLN A 67 -8.856 -16.813 0.976 1.00 0.00 C ATOM 989 CD GLN A 67 -9.189 -16.823 2.455 1.00 0.00 C ATOM 990 OE1 GLN A 67 -9.184 -17.873 3.097 1.00 0.00 O ATOM 991 NE2 GLN A 67 -9.481 -15.649 3.004 1.00 0.00 N ATOM 0 H GLN A 67 -8.202 -13.920 0.144 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.287 -15.451 -0.914 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.736 -17.041 0.801 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.241 -15.488 1.436 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.603 -16.224 0.443 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.915 -17.830 0.587 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.473 -14.803 2.434 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.713 -15.593 3.996 1.00 0.00 H new ATOM 1000 N PRO A 68 -6.997 -17.454 -2.285 1.00 0.00 N ATOM 1001 CA PRO A 68 -7.364 -18.443 -3.302 1.00 0.00 C ATOM 1002 C PRO A 68 -8.245 -19.554 -2.741 1.00 0.00 C ATOM 1003 O PRO A 68 -8.165 -19.884 -1.558 1.00 0.00 O ATOM 1004 CB PRO A 68 -6.014 -19.008 -3.752 1.00 0.00 C ATOM 1005 CG PRO A 68 -5.108 -18.794 -2.588 1.00 0.00 C ATOM 1006 CD PRO A 68 -5.569 -17.521 -1.933 1.00 0.00 C ATOM 0 HA PRO A 68 -7.947 -17.999 -4.109 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.092 -20.066 -4.004 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.646 -18.494 -4.640 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.161 -19.632 -1.893 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -4.070 -18.713 -2.911 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.422 -17.549 -0.853 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.022 -16.656 -2.307 1.00 0.00 H new ATOM 1014 N ASP A 69 -9.085 -20.126 -3.596 1.00 0.00 N ATOM 1015 CA ASP A 69 -9.981 -21.201 -3.185 1.00 0.00 C ATOM 1016 C ASP A 69 -9.208 -22.313 -2.483 1.00 0.00 C ATOM 1017 O ASP A 69 -8.104 -22.682 -2.881 1.00 0.00 O ATOM 1018 CB ASP A 69 -10.724 -21.766 -4.397 1.00 0.00 C ATOM 1019 CG ASP A 69 -11.916 -22.615 -4.001 1.00 0.00 C ATOM 1020 OD1 ASP A 69 -13.011 -22.047 -3.807 1.00 0.00 O ATOM 1021 OD2 ASP A 69 -11.753 -23.848 -3.886 1.00 0.00 O ATOM 0 H ASP A 69 -9.165 -19.863 -4.578 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.707 -20.788 -2.484 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.061 -20.944 -5.029 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -10.037 -22.366 -4.994 1.00 0.00 H new ATOM 1026 N PRO A 70 -9.801 -22.860 -1.411 1.00 0.00 N ATOM 1027 CA PRO A 70 -9.187 -23.938 -0.630 1.00 0.00 C ATOM 1028 C PRO A 70 -9.137 -25.254 -1.397 1.00 0.00 C ATOM 1029 O PRO A 70 -10.117 -25.654 -2.027 1.00 0.00 O ATOM 1030 CB PRO A 70 -10.106 -24.062 0.587 1.00 0.00 C ATOM 1031 CG PRO A 70 -11.424 -23.549 0.121 1.00 0.00 C ATOM 1032 CD PRO A 70 -11.118 -22.469 -0.880 1.00 0.00 C ATOM 0 HA PRO A 70 -8.150 -23.718 -0.377 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -10.180 -25.096 0.923 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.730 -23.480 1.428 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -12.014 -24.345 -0.332 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -12.006 -23.155 0.954 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -11.871 -22.425 -1.666 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -11.087 -21.485 -0.413 1.00 0.00 H new ATOM 1040 N SER A 71 -7.991 -25.925 -1.340 1.00 0.00 N ATOM 1041 CA SER A 71 -7.814 -27.196 -2.032 1.00 0.00 C ATOM 1042 C SER A 71 -7.160 -28.227 -1.117 1.00 0.00 C ATOM 1043 O SER A 71 -6.541 -27.878 -0.113 1.00 0.00 O ATOM 1044 CB SER A 71 -6.964 -27.002 -3.289 1.00 0.00 C ATOM 1045 OG SER A 71 -7.753 -26.545 -4.373 1.00 0.00 O ATOM 0 H SER A 71 -7.171 -25.609 -0.822 1.00 0.00 H new ATOM 0 HA SER A 71 -8.799 -27.564 -2.320 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.168 -26.285 -3.087 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.484 -27.944 -3.556 1.00 0.00 H new ATOM 0 HG SER A 71 -7.186 -26.427 -5.164 1.00 0.00 H new ATOM 1051 N GLY A 72 -7.304 -29.500 -1.472 1.00 0.00 N ATOM 1052 CA GLY A 72 -6.723 -30.564 -0.673 1.00 0.00 C ATOM 1053 C GLY A 72 -5.209 -30.497 -0.632 1.00 0.00 C ATOM 1054 O GLY A 72 -4.581 -29.926 -1.523 1.00 0.00 O ATOM 0 H GLY A 72 -7.813 -29.814 -2.299 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.114 -30.506 0.343 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.030 -31.528 -1.078 1.00 0.00 H new ATOM 1058 N LYS A 73 -4.621 -31.081 0.407 1.00 0.00 N ATOM 1059 CA LYS A 73 -3.171 -31.085 0.562 1.00 0.00 C ATOM 1060 C LYS A 73 -2.564 -32.349 -0.038 1.00 0.00 C ATOM 1061 O LYS A 73 -3.145 -33.430 0.053 1.00 0.00 O ATOM 1062 CB LYS A 73 -2.796 -30.979 2.042 1.00 0.00 C ATOM 1063 CG LYS A 73 -3.231 -32.178 2.867 1.00 0.00 C ATOM 1064 CD LYS A 73 -2.155 -33.251 2.902 1.00 0.00 C ATOM 1065 CE LYS A 73 -1.092 -32.940 3.945 1.00 0.00 C ATOM 1066 NZ LYS A 73 -1.634 -33.017 5.329 1.00 0.00 N ATOM 0 H LYS A 73 -5.126 -31.558 1.154 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.771 -30.222 0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.716 -30.863 2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.247 -30.079 2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -3.460 -31.858 3.883 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.148 -32.594 2.450 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.610 -34.217 3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.690 -33.333 1.920 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.264 -33.641 3.840 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.690 -31.943 3.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.854 -33.172 5.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.119 -32.127 5.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.308 -33.806 5.394 1.00 0.00 H new ATOM 1080 N GLU A 74 -1.392 -32.205 -0.649 1.00 0.00 N ATOM 1081 CA GLU A 74 -0.707 -33.337 -1.262 1.00 0.00 C ATOM 1082 C GLU A 74 -0.277 -34.350 -0.206 1.00 0.00 C ATOM 1083 O GLU A 74 0.804 -34.240 0.372 1.00 0.00 O ATOM 1084 CB GLU A 74 0.514 -32.856 -2.050 1.00 0.00 C ATOM 1085 CG GLU A 74 0.182 -32.378 -3.454 1.00 0.00 C ATOM 1086 CD GLU A 74 1.342 -32.546 -4.417 1.00 0.00 C ATOM 1087 OE1 GLU A 74 2.236 -31.674 -4.425 1.00 0.00 O ATOM 1088 OE2 GLU A 74 1.355 -33.549 -5.161 1.00 0.00 O ATOM 0 H GLU A 74 -0.898 -31.317 -0.733 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.403 -33.824 -1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.993 -32.044 -1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.238 -33.668 -2.113 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.679 -32.932 -3.828 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.106 -31.327 -3.418 1.00 0.00 H new ATOM 1095 N SER A 75 -1.132 -35.337 0.041 1.00 0.00 N ATOM 1096 CA SER A 75 -0.844 -36.369 1.031 1.00 0.00 C ATOM 1097 C SER A 75 0.147 -37.390 0.479 1.00 0.00 C ATOM 1098 O SER A 75 0.230 -37.600 -0.730 1.00 0.00 O ATOM 1099 CB SER A 75 -2.134 -37.072 1.457 1.00 0.00 C ATOM 1100 OG SER A 75 -2.733 -36.415 2.561 1.00 0.00 O ATOM 0 H SER A 75 -2.030 -35.444 -0.431 1.00 0.00 H new ATOM 0 HA SER A 75 -0.397 -35.888 1.901 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.833 -37.095 0.621 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.918 -38.108 1.720 1.00 0.00 H new ATOM 0 HG SER A 75 -3.557 -36.883 2.813 1.00 0.00 H new ATOM 1106 N GLY A 76 0.897 -38.022 1.376 1.00 0.00 N ATOM 1107 CA GLY A 76 1.873 -39.013 0.961 1.00 0.00 C ATOM 1108 C GLY A 76 1.832 -40.261 1.820 1.00 0.00 C ATOM 1109 O GLY A 76 1.435 -40.227 2.985 1.00 0.00 O ATOM 0 H GLY A 76 0.846 -37.866 2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.691 -39.285 -0.079 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.871 -38.577 1.006 1.00 0.00 H new ATOM 1113 N PRO A 77 2.249 -41.397 1.240 1.00 0.00 N ATOM 1114 CA PRO A 77 2.267 -42.683 1.942 1.00 0.00 C ATOM 1115 C PRO A 77 3.332 -42.734 3.032 1.00 0.00 C ATOM 1116 O PRO A 77 4.453 -43.183 2.798 1.00 0.00 O ATOM 1117 CB PRO A 77 2.590 -43.688 0.833 1.00 0.00 C ATOM 1118 CG PRO A 77 3.322 -42.895 -0.195 1.00 0.00 C ATOM 1119 CD PRO A 77 2.736 -41.511 -0.145 1.00 0.00 C ATOM 0 HA PRO A 77 1.326 -42.880 2.455 1.00 0.00 H new ATOM 0 HB2 PRO A 77 3.201 -44.509 1.208 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.682 -44.128 0.421 1.00 0.00 H new ATOM 0 HG2 PRO A 77 4.391 -42.874 0.017 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.202 -43.334 -1.185 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.483 -40.750 -0.372 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.928 -41.390 -0.866 1.00 0.00 H new ATOM 1127 N SER A 78 2.972 -42.272 4.226 1.00 0.00 N ATOM 1128 CA SER A 78 3.898 -42.261 5.352 1.00 0.00 C ATOM 1129 C SER A 78 4.444 -43.661 5.620 1.00 0.00 C ATOM 1130 O SER A 78 5.653 -43.855 5.742 1.00 0.00 O ATOM 1131 CB SER A 78 3.204 -41.724 6.605 1.00 0.00 C ATOM 1132 OG SER A 78 3.109 -40.311 6.569 1.00 0.00 O ATOM 0 H SER A 78 2.046 -41.901 4.438 1.00 0.00 H new ATOM 0 HA SER A 78 4.732 -41.607 5.098 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.207 -42.157 6.686 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.758 -42.032 7.492 1.00 0.00 H new ATOM 0 HG SER A 78 2.660 -39.993 7.380 1.00 0.00 H new ATOM 1138 N SER A 79 3.542 -44.634 5.709 1.00 0.00 N ATOM 1139 CA SER A 79 3.931 -46.015 5.966 1.00 0.00 C ATOM 1140 C SER A 79 5.159 -46.395 5.145 1.00 0.00 C ATOM 1141 O SER A 79 6.207 -46.732 5.695 1.00 0.00 O ATOM 1142 CB SER A 79 2.774 -46.962 5.641 1.00 0.00 C ATOM 1143 OG SER A 79 2.946 -48.216 6.278 1.00 0.00 O ATOM 0 H SER A 79 2.537 -44.491 5.607 1.00 0.00 H new ATOM 0 HA SER A 79 4.180 -46.106 7.023 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.833 -46.514 5.961 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.709 -47.105 4.562 1.00 0.00 H new ATOM 0 HG SER A 79 2.193 -48.802 6.056 1.00 0.00 H new ATOM 1149 N GLY A 80 5.022 -46.338 3.824 1.00 0.00 N ATOM 1150 CA GLY A 80 6.127 -46.679 2.947 1.00 0.00 C ATOM 1151 C GLY A 80 5.664 -47.310 1.649 1.00 0.00 C ATOM 1152 O GLY A 80 6.184 -46.995 0.579 1.00 0.00 O ATOM 0 H GLY A 80 4.165 -46.062 3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.702 -45.780 2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.797 -47.367 3.463 1.00 0.00 H new TER 1156 GLY A 80