USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 510 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 21 THR OG1 : rot 28:sc= 0.54 USER MOD Set 1.2: A 50 TYR OH : rot 180:sc= 0.584 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 59:sc= 0.72 USER MOD Single : A 25 GLN : amide:sc= -0.429 X(o=-0.43,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -120:sc= 0.152 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -65:sc= 1.25 USER MOD Single : A 45 GLN : amide:sc=-0.00215 K(o=-0.0021,f=-3.8!) USER MOD Single : A 46 THR OG1 : rot -34:sc= 1.39 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.056) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 58 SER OG : rot 92:sc= 1.27 USER MOD Single : A 60 GLN : amide:sc= -0.0408 K(o=-0.041,f=-0.98) USER MOD Single : A 62 CYS SG : rot 54:sc= 0.276 USER MOD Single : A 66 LYS NZ :NH3+ -164:sc= 2.49 (180deg=1.77) USER MOD Single : A 69 LYS NZ :NH3+ 144:sc= 1.1 (180deg=0.271) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 21.539 -2.548 4.859 1.00 0.00 N ATOM 2 CA GLY A 7 21.027 -1.201 4.627 1.00 0.00 C ATOM 3 C GLY A 7 21.037 -0.889 3.157 1.00 0.00 C ATOM 4 O GLY A 7 21.343 -1.773 2.354 1.00 0.00 O ATOM 0 HA2 GLY A 7 20.013 -1.117 5.017 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.636 -0.475 5.165 1.00 0.00 H new ATOM 10 N ALA A 8 20.712 0.356 2.812 1.00 0.00 N ATOM 11 CA ALA A 8 20.654 0.855 1.433 1.00 0.00 C ATOM 12 C ALA A 8 19.587 0.134 0.610 1.00 0.00 C ATOM 13 O ALA A 8 19.794 -0.989 0.106 1.00 0.00 O ATOM 14 CB ALA A 8 22.023 0.818 0.747 1.00 0.00 C ATOM 0 H ALA A 8 20.474 1.068 3.502 1.00 0.00 H new ATOM 0 HA ALA A 8 20.359 1.903 1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 8 21.930 1.197 -0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 8 22.725 1.439 1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 8 22.389 -0.208 0.720 1.00 0.00 H new ATOM 20 N MET A 9 18.436 0.747 0.509 1.00 0.00 N ATOM 21 CA MET A 9 17.345 0.179 -0.242 1.00 0.00 C ATOM 22 C MET A 9 17.561 0.409 -1.718 1.00 0.00 C ATOM 23 O MET A 9 17.491 1.549 -2.217 1.00 0.00 O ATOM 24 CB MET A 9 15.992 0.736 0.210 1.00 0.00 C ATOM 25 CG MET A 9 15.615 0.374 1.641 1.00 0.00 C ATOM 26 SD MET A 9 15.441 -1.407 1.895 1.00 0.00 S ATOM 27 CE MET A 9 15.032 -1.448 3.641 1.00 0.00 C ATOM 0 H MET A 9 18.229 1.647 0.941 1.00 0.00 H new ATOM 0 HA MET A 9 17.325 -0.894 -0.051 1.00 0.00 H new ATOM 0 HB2 MET A 9 16.008 1.822 0.114 1.00 0.00 H new ATOM 0 HB3 MET A 9 15.217 0.368 -0.462 1.00 0.00 H new ATOM 0 HG2 MET A 9 16.375 0.760 2.320 1.00 0.00 H new ATOM 0 HG3 MET A 9 14.677 0.866 1.900 1.00 0.00 H new ATOM 0 HE1 MET A 9 14.892 -2.482 3.958 1.00 0.00 H new ATOM 0 HE2 MET A 9 15.843 -0.999 4.215 1.00 0.00 H new ATOM 0 HE3 MET A 9 14.113 -0.888 3.813 1.00 0.00 H new ATOM 37 N ALA A 10 17.882 -0.646 -2.398 1.00 0.00 N ATOM 38 CA ALA A 10 18.128 -0.608 -3.805 1.00 0.00 C ATOM 39 C ALA A 10 17.115 -1.494 -4.485 1.00 0.00 C ATOM 40 O ALA A 10 16.683 -2.497 -3.893 1.00 0.00 O ATOM 41 CB ALA A 10 19.547 -1.080 -4.107 1.00 0.00 C ATOM 0 H ALA A 10 17.982 -1.573 -1.985 1.00 0.00 H new ATOM 0 HA ALA A 10 18.033 0.412 -4.176 1.00 0.00 H new ATOM 0 HB1 ALA A 10 19.721 -1.046 -5.183 1.00 0.00 H new ATOM 0 HB2 ALA A 10 20.262 -0.429 -3.603 1.00 0.00 H new ATOM 0 HB3 ALA A 10 19.674 -2.102 -3.751 1.00 0.00 H new ATOM 47 N PRO A 11 16.688 -1.142 -5.697 1.00 0.00 N ATOM 48 CA PRO A 11 15.728 -1.942 -6.433 1.00 0.00 C ATOM 49 C PRO A 11 16.337 -3.284 -6.861 1.00 0.00 C ATOM 50 O PRO A 11 17.513 -3.344 -7.238 1.00 0.00 O ATOM 51 CB PRO A 11 15.398 -1.079 -7.663 1.00 0.00 C ATOM 52 CG PRO A 11 16.567 -0.179 -7.830 1.00 0.00 C ATOM 53 CD PRO A 11 17.112 0.057 -6.454 1.00 0.00 C ATOM 0 HA PRO A 11 14.849 -2.190 -5.838 1.00 0.00 H new ATOM 0 HB2 PRO A 11 15.246 -1.696 -8.548 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.481 -0.510 -7.510 1.00 0.00 H new ATOM 0 HG2 PRO A 11 17.320 -0.634 -8.474 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.272 0.760 -8.298 1.00 0.00 H new ATOM 0 HD2 PRO A 11 18.197 0.160 -6.466 1.00 0.00 H new ATOM 0 HD3 PRO A 11 16.710 0.970 -6.015 1.00 0.00 H new ATOM 61 N PRO A 12 15.562 -4.375 -6.788 1.00 0.00 N ATOM 62 CA PRO A 12 16.012 -5.725 -7.207 1.00 0.00 C ATOM 63 C PRO A 12 16.134 -5.856 -8.751 1.00 0.00 C ATOM 64 O PRO A 12 15.634 -6.817 -9.355 1.00 0.00 O ATOM 65 CB PRO A 12 14.891 -6.627 -6.678 1.00 0.00 C ATOM 66 CG PRO A 12 13.687 -5.756 -6.630 1.00 0.00 C ATOM 67 CD PRO A 12 14.183 -4.400 -6.247 1.00 0.00 C ATOM 0 HA PRO A 12 17.004 -5.971 -6.828 1.00 0.00 H new ATOM 0 HB2 PRO A 12 14.732 -7.484 -7.332 1.00 0.00 H new ATOM 0 HB3 PRO A 12 15.133 -7.020 -5.691 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.184 -5.730 -7.597 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.964 -6.128 -5.904 1.00 0.00 H new ATOM 0 HD2 PRO A 12 13.568 -3.610 -6.678 1.00 0.00 H new ATOM 0 HD3 PRO A 12 14.172 -4.258 -5.166 1.00 0.00 H new ATOM 75 N VAL A 13 16.840 -4.898 -9.351 1.00 0.00 N ATOM 76 CA VAL A 13 17.073 -4.787 -10.798 1.00 0.00 C ATOM 77 C VAL A 13 15.789 -4.421 -11.548 1.00 0.00 C ATOM 78 O VAL A 13 15.663 -3.305 -12.051 1.00 0.00 O ATOM 79 CB VAL A 13 17.753 -6.053 -11.424 1.00 0.00 C ATOM 80 CG1 VAL A 13 17.980 -5.867 -12.925 1.00 0.00 C ATOM 81 CG2 VAL A 13 19.079 -6.346 -10.727 1.00 0.00 C ATOM 0 H VAL A 13 17.285 -4.146 -8.825 1.00 0.00 H new ATOM 0 HA VAL A 13 17.786 -3.971 -10.919 1.00 0.00 H new ATOM 0 HB VAL A 13 17.083 -6.900 -11.280 1.00 0.00 H new ATOM 0 HG11 VAL A 13 18.453 -6.759 -13.335 1.00 0.00 H new ATOM 0 HG12 VAL A 13 17.023 -5.704 -13.420 1.00 0.00 H new ATOM 0 HG13 VAL A 13 18.626 -5.005 -13.091 1.00 0.00 H new ATOM 0 HG21 VAL A 13 19.538 -7.228 -11.174 1.00 0.00 H new ATOM 0 HG22 VAL A 13 19.747 -5.492 -10.842 1.00 0.00 H new ATOM 0 HG23 VAL A 13 18.901 -6.527 -9.667 1.00 0.00 H new ATOM 91 N ALA A 14 14.840 -5.330 -11.583 1.00 0.00 N ATOM 92 CA ALA A 14 13.585 -5.100 -12.264 1.00 0.00 C ATOM 93 C ALA A 14 12.570 -4.535 -11.292 1.00 0.00 C ATOM 94 O ALA A 14 11.833 -5.286 -10.615 1.00 0.00 O ATOM 95 CB ALA A 14 13.069 -6.377 -12.908 1.00 0.00 C ATOM 0 H ALA A 14 14.916 -6.247 -11.142 1.00 0.00 H new ATOM 0 HA ALA A 14 13.749 -4.375 -13.062 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.124 -6.174 -13.413 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.798 -6.739 -13.634 1.00 0.00 H new ATOM 0 HB3 ALA A 14 12.915 -7.135 -12.140 1.00 0.00 H new ATOM 101 N ALA A 15 12.570 -3.231 -11.182 1.00 0.00 N ATOM 102 CA ALA A 15 11.723 -2.518 -10.267 1.00 0.00 C ATOM 103 C ALA A 15 11.681 -1.056 -10.684 1.00 0.00 C ATOM 104 O ALA A 15 12.477 -0.649 -11.543 1.00 0.00 O ATOM 105 CB ALA A 15 12.294 -2.641 -8.855 1.00 0.00 C ATOM 0 H ALA A 15 13.172 -2.625 -11.739 1.00 0.00 H new ATOM 0 HA ALA A 15 10.715 -2.932 -10.281 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.655 -2.102 -8.156 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.337 -3.692 -8.570 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.298 -2.217 -8.830 1.00 0.00 H new ATOM 111 N PRO A 16 10.749 -0.249 -10.134 1.00 0.00 N ATOM 112 CA PRO A 16 10.715 1.194 -10.387 1.00 0.00 C ATOM 113 C PRO A 16 11.857 1.914 -9.630 1.00 0.00 C ATOM 114 O PRO A 16 12.879 1.297 -9.274 1.00 0.00 O ATOM 115 CB PRO A 16 9.337 1.626 -9.824 1.00 0.00 C ATOM 116 CG PRO A 16 8.591 0.359 -9.571 1.00 0.00 C ATOM 117 CD PRO A 16 9.631 -0.667 -9.271 1.00 0.00 C ATOM 0 HA PRO A 16 10.847 1.441 -11.440 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.452 2.203 -8.906 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.805 2.259 -10.534 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.899 0.472 -8.736 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.998 0.073 -10.440 1.00 0.00 H new ATOM 0 HD2 PRO A 16 9.910 -0.666 -8.217 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.289 -1.674 -9.510 1.00 0.00 H new ATOM 125 N SER A 17 11.694 3.189 -9.389 1.00 0.00 N ATOM 126 CA SER A 17 12.694 3.961 -8.685 1.00 0.00 C ATOM 127 C SER A 17 12.765 3.528 -7.204 1.00 0.00 C ATOM 128 O SER A 17 11.753 3.080 -6.635 1.00 0.00 O ATOM 129 CB SER A 17 12.329 5.434 -8.787 1.00 0.00 C ATOM 130 OG SER A 17 12.166 5.812 -10.150 1.00 0.00 O ATOM 0 H SER A 17 10.871 3.722 -9.672 1.00 0.00 H new ATOM 0 HA SER A 17 13.673 3.790 -9.133 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.408 5.626 -8.237 1.00 0.00 H new ATOM 0 HB3 SER A 17 13.108 6.041 -8.325 1.00 0.00 H new ATOM 0 HG SER A 17 11.930 6.762 -10.200 1.00 0.00 H new ATOM 136 N PRO A 18 13.962 3.593 -6.575 1.00 0.00 N ATOM 137 CA PRO A 18 14.109 3.245 -5.167 1.00 0.00 C ATOM 138 C PRO A 18 13.285 4.176 -4.280 1.00 0.00 C ATOM 139 O PRO A 18 13.290 5.411 -4.470 1.00 0.00 O ATOM 140 CB PRO A 18 15.608 3.429 -4.883 1.00 0.00 C ATOM 141 CG PRO A 18 16.127 4.256 -6.008 1.00 0.00 C ATOM 142 CD PRO A 18 15.243 3.979 -7.189 1.00 0.00 C ATOM 0 HA PRO A 18 13.759 2.234 -4.958 1.00 0.00 H new ATOM 0 HB2 PRO A 18 15.768 3.924 -3.925 1.00 0.00 H new ATOM 0 HB3 PRO A 18 16.119 2.468 -4.834 1.00 0.00 H new ATOM 0 HG2 PRO A 18 16.109 5.315 -5.751 1.00 0.00 H new ATOM 0 HG3 PRO A 18 17.163 4.000 -6.231 1.00 0.00 H new ATOM 0 HD2 PRO A 18 15.135 4.858 -7.825 1.00 0.00 H new ATOM 0 HD3 PRO A 18 15.645 3.181 -7.814 1.00 0.00 H new ATOM 150 N ALA A 19 12.637 3.577 -3.294 1.00 0.00 N ATOM 151 CA ALA A 19 11.726 4.237 -2.374 1.00 0.00 C ATOM 152 C ALA A 19 10.580 4.924 -3.094 1.00 0.00 C ATOM 153 O ALA A 19 10.615 6.133 -3.353 1.00 0.00 O ATOM 154 CB ALA A 19 12.424 5.181 -1.419 1.00 0.00 C ATOM 0 H ALA A 19 12.735 2.579 -3.106 1.00 0.00 H new ATOM 0 HA ALA A 19 11.300 3.440 -1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.688 5.641 -0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 19 13.148 4.626 -0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.939 5.957 -1.986 1.00 0.00 H new ATOM 160 N VAL A 20 9.614 4.145 -3.475 1.00 0.00 N ATOM 161 CA VAL A 20 8.421 4.664 -4.097 1.00 0.00 C ATOM 162 C VAL A 20 7.507 5.274 -3.049 1.00 0.00 C ATOM 163 O VAL A 20 7.434 4.793 -1.917 1.00 0.00 O ATOM 164 CB VAL A 20 7.651 3.597 -4.922 1.00 0.00 C ATOM 165 CG1 VAL A 20 8.404 3.261 -6.198 1.00 0.00 C ATOM 166 CG2 VAL A 20 7.421 2.329 -4.103 1.00 0.00 C ATOM 0 H VAL A 20 9.625 3.131 -3.366 1.00 0.00 H new ATOM 0 HA VAL A 20 8.743 5.432 -4.800 1.00 0.00 H new ATOM 0 HB VAL A 20 6.680 4.018 -5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.848 2.512 -6.762 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.515 4.161 -6.802 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.389 2.869 -5.946 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.880 1.600 -4.706 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.382 1.910 -3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.837 2.570 -3.215 1.00 0.00 H new ATOM 176 N THR A 21 6.831 6.317 -3.413 1.00 0.00 N ATOM 177 CA THR A 21 5.961 6.991 -2.507 1.00 0.00 C ATOM 178 C THR A 21 4.555 7.007 -3.109 1.00 0.00 C ATOM 179 O THR A 21 4.383 6.742 -4.322 1.00 0.00 O ATOM 180 CB THR A 21 6.471 8.428 -2.194 1.00 0.00 C ATOM 181 OG1 THR A 21 5.710 9.022 -1.130 1.00 0.00 O ATOM 182 CG2 THR A 21 6.382 9.306 -3.426 1.00 0.00 C ATOM 0 H THR A 21 6.868 6.724 -4.347 1.00 0.00 H new ATOM 0 HA THR A 21 5.939 6.461 -1.555 1.00 0.00 H new ATOM 0 HB THR A 21 7.513 8.349 -1.883 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.369 8.318 -0.539 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.743 10.306 -3.187 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.994 8.880 -4.221 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.345 9.364 -3.757 1.00 0.00 H new ATOM 190 N TYR A 22 3.564 7.255 -2.286 1.00 0.00 N ATOM 191 CA TYR A 22 2.176 7.190 -2.693 1.00 0.00 C ATOM 192 C TYR A 22 1.379 8.362 -2.138 1.00 0.00 C ATOM 193 O TYR A 22 1.813 9.017 -1.186 1.00 0.00 O ATOM 194 CB TYR A 22 1.566 5.853 -2.258 1.00 0.00 C ATOM 195 CG TYR A 22 2.187 4.660 -2.945 1.00 0.00 C ATOM 196 CD1 TYR A 22 3.364 4.089 -2.474 1.00 0.00 C ATOM 197 CD2 TYR A 22 1.623 4.138 -4.086 1.00 0.00 C ATOM 198 CE1 TYR A 22 3.953 3.049 -3.133 1.00 0.00 C ATOM 199 CE2 TYR A 22 2.196 3.088 -4.733 1.00 0.00 C ATOM 200 CZ TYR A 22 3.361 2.547 -4.263 1.00 0.00 C ATOM 201 OH TYR A 22 3.956 1.539 -4.964 1.00 0.00 O ATOM 0 H TYR A 22 3.697 7.510 -1.307 1.00 0.00 H new ATOM 0 HA TYR A 22 2.133 7.257 -3.780 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.681 5.743 -1.180 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.496 5.866 -2.465 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.819 4.474 -1.573 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.712 4.568 -4.474 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.877 2.625 -2.768 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.731 2.681 -5.619 1.00 0.00 H new ATOM 0 HH TYR A 22 4.068 0.758 -4.383 1.00 0.00 H new ATOM 211 N ALA A 23 0.245 8.649 -2.755 1.00 0.00 N ATOM 212 CA ALA A 23 -0.622 9.751 -2.349 1.00 0.00 C ATOM 213 C ALA A 23 -2.005 9.218 -1.989 1.00 0.00 C ATOM 214 O ALA A 23 -2.339 8.093 -2.347 1.00 0.00 O ATOM 215 CB ALA A 23 -0.728 10.758 -3.480 1.00 0.00 C ATOM 0 H ALA A 23 -0.105 8.124 -3.556 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.196 10.241 -1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.376 11.580 -3.176 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.263 11.145 -3.717 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.148 10.273 -4.361 1.00 0.00 H new ATOM 221 N LEU A 24 -2.783 9.989 -1.242 1.00 0.00 N ATOM 222 CA LEU A 24 -4.141 9.576 -0.869 1.00 0.00 C ATOM 223 C LEU A 24 -5.044 9.488 -2.085 1.00 0.00 C ATOM 224 O LEU A 24 -4.776 10.103 -3.121 1.00 0.00 O ATOM 225 CB LEU A 24 -4.787 10.478 0.202 1.00 0.00 C ATOM 226 CG LEU A 24 -3.957 10.752 1.441 1.00 0.00 C ATOM 227 CD1 LEU A 24 -4.740 11.553 2.461 1.00 0.00 C ATOM 228 CD2 LEU A 24 -3.428 9.480 2.027 1.00 0.00 C ATOM 0 H LEU A 24 -2.504 10.901 -0.881 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.032 8.586 -0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.036 11.433 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.726 10.020 0.514 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.100 11.356 1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.118 11.733 3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.037 12.507 2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.630 10.996 2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.837 9.706 2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.260 8.832 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.801 8.974 1.293 1.00 0.00 H new ATOM 240 N GLN A 25 -6.105 8.696 -1.950 1.00 0.00 N ATOM 241 CA GLN A 25 -7.135 8.476 -2.974 1.00 0.00 C ATOM 242 C GLN A 25 -6.604 7.710 -4.173 1.00 0.00 C ATOM 243 O GLN A 25 -7.319 7.475 -5.140 1.00 0.00 O ATOM 244 CB GLN A 25 -7.820 9.770 -3.418 1.00 0.00 C ATOM 245 CG GLN A 25 -8.484 10.537 -2.291 1.00 0.00 C ATOM 246 CD GLN A 25 -9.436 11.605 -2.795 1.00 0.00 C ATOM 247 OE1 GLN A 25 -10.435 11.912 -2.142 1.00 0.00 O ATOM 248 NE2 GLN A 25 -9.143 12.188 -3.932 1.00 0.00 N ATOM 0 H GLN A 25 -6.282 8.169 -1.095 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.893 7.858 -2.493 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.082 10.414 -3.896 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.570 9.531 -4.172 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.029 9.840 -1.654 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -7.717 11.002 -1.671 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.308 11.910 -4.447 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.750 12.920 -4.301 1.00 0.00 H new ATOM 257 N GLU A 26 -5.390 7.278 -4.071 1.00 0.00 N ATOM 258 CA GLU A 26 -4.726 6.567 -5.117 1.00 0.00 C ATOM 259 C GLU A 26 -5.066 5.097 -4.972 1.00 0.00 C ATOM 260 O GLU A 26 -4.995 4.546 -3.859 1.00 0.00 O ATOM 261 CB GLU A 26 -3.220 6.787 -4.949 1.00 0.00 C ATOM 262 CG GLU A 26 -2.322 6.220 -6.026 1.00 0.00 C ATOM 263 CD GLU A 26 -2.506 6.873 -7.367 1.00 0.00 C ATOM 264 OE1 GLU A 26 -2.829 8.070 -7.434 1.00 0.00 O ATOM 265 OE2 GLU A 26 -2.262 6.213 -8.387 1.00 0.00 O1- ATOM 0 H GLU A 26 -4.817 7.412 -3.238 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.036 6.912 -6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.039 7.860 -4.886 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.919 6.356 -3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.283 6.331 -5.717 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.514 5.151 -6.122 1.00 0.00 H new ATOM 272 N ASP A 27 -5.516 4.498 -6.043 1.00 0.00 N ATOM 273 CA ASP A 27 -5.814 3.082 -6.044 1.00 0.00 C ATOM 274 C ASP A 27 -4.577 2.337 -6.390 1.00 0.00 C ATOM 275 O ASP A 27 -3.919 2.640 -7.386 1.00 0.00 O ATOM 276 CB ASP A 27 -6.946 2.717 -7.004 1.00 0.00 C ATOM 277 CG ASP A 27 -8.270 3.276 -6.581 1.00 0.00 C ATOM 278 OD1 ASP A 27 -8.762 4.233 -7.212 1.00 0.00 O ATOM 279 OD2 ASP A 27 -8.852 2.779 -5.601 1.00 0.00 O1- ATOM 0 H ASP A 27 -5.686 4.968 -6.932 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.160 2.806 -5.048 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.703 3.085 -8.001 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.021 1.632 -7.074 1.00 0.00 H new ATOM 284 N VAL A 28 -4.237 1.397 -5.568 1.00 0.00 N ATOM 285 CA VAL A 28 -3.007 0.645 -5.693 1.00 0.00 C ATOM 286 C VAL A 28 -3.223 -0.801 -5.291 1.00 0.00 C ATOM 287 O VAL A 28 -4.150 -1.115 -4.527 1.00 0.00 O ATOM 288 CB VAL A 28 -1.895 1.256 -4.789 1.00 0.00 C ATOM 289 CG1 VAL A 28 -1.334 2.523 -5.382 1.00 0.00 C ATOM 290 CG2 VAL A 28 -2.477 1.584 -3.428 1.00 0.00 C ATOM 0 H VAL A 28 -4.810 1.117 -4.772 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.695 0.692 -6.736 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.094 0.522 -4.705 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.561 2.921 -4.725 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.903 2.307 -6.360 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.132 3.258 -5.491 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.701 2.012 -2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.288 2.303 -3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.861 0.674 -2.968 1.00 0.00 H new ATOM 300 N PHE A 29 -2.401 -1.676 -5.824 1.00 0.00 N ATOM 301 CA PHE A 29 -2.449 -3.069 -5.442 1.00 0.00 C ATOM 302 C PHE A 29 -1.599 -3.271 -4.207 1.00 0.00 C ATOM 303 O PHE A 29 -0.528 -2.679 -4.097 1.00 0.00 O ATOM 304 CB PHE A 29 -1.960 -3.995 -6.566 1.00 0.00 C ATOM 305 CG PHE A 29 -2.931 -4.218 -7.688 1.00 0.00 C ATOM 306 CD1 PHE A 29 -4.065 -4.983 -7.485 1.00 0.00 C ATOM 307 CD2 PHE A 29 -2.694 -3.705 -8.948 1.00 0.00 C ATOM 308 CE1 PHE A 29 -4.948 -5.227 -8.514 1.00 0.00 C ATOM 309 CE2 PHE A 29 -3.579 -3.941 -9.984 1.00 0.00 C ATOM 310 CZ PHE A 29 -4.704 -4.703 -9.766 1.00 0.00 C ATOM 0 H PHE A 29 -1.693 -1.449 -6.522 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.488 -3.328 -5.238 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.041 -3.580 -6.981 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.705 -4.962 -6.132 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.261 -5.395 -6.506 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.808 -3.113 -9.126 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.829 -5.827 -8.341 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.387 -3.528 -10.963 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.395 -4.890 -10.575 1.00 0.00 H new ATOM 320 N ILE A 30 -2.084 -4.084 -3.289 1.00 0.00 N ATOM 321 CA ILE A 30 -1.407 -4.381 -2.027 1.00 0.00 C ATOM 322 C ILE A 30 -1.180 -5.848 -1.918 1.00 0.00 C ATOM 323 O ILE A 30 -2.116 -6.645 -1.989 1.00 0.00 O ATOM 324 CB ILE A 30 -2.220 -3.898 -0.749 1.00 0.00 C ATOM 325 CG1 ILE A 30 -2.085 -2.406 -0.501 1.00 0.00 C ATOM 326 CG2 ILE A 30 -1.821 -4.659 0.521 1.00 0.00 C ATOM 327 CD1 ILE A 30 -2.534 -1.547 -1.624 1.00 0.00 C ATOM 0 H ILE A 30 -2.975 -4.569 -3.394 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.465 -3.832 -2.043 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.263 -4.119 -0.976 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.658 -2.146 0.389 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.041 -2.181 -0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.405 -4.291 1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.013 -5.723 0.383 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.760 -4.505 0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.400 -0.499 -1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.945 -1.773 -2.513 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.587 -1.738 -1.829 1.00 0.00 H new ATOM 339 N LYS A 31 0.049 -6.195 -1.819 1.00 0.00 N ATOM 340 CA LYS A 31 0.452 -7.534 -1.623 1.00 0.00 C ATOM 341 C LYS A 31 0.345 -7.897 -0.162 1.00 0.00 C ATOM 342 O LYS A 31 0.890 -7.223 0.705 1.00 0.00 O ATOM 343 CB LYS A 31 1.870 -7.729 -2.134 1.00 0.00 C ATOM 344 CG LYS A 31 2.501 -9.035 -1.731 1.00 0.00 C ATOM 345 CD LYS A 31 3.931 -9.121 -2.179 1.00 0.00 C ATOM 346 CE LYS A 31 4.612 -10.291 -1.523 1.00 0.00 C ATOM 347 NZ LYS A 31 6.025 -10.399 -1.929 1.00 0.00 N1+ ATOM 0 H LYS A 31 0.824 -5.535 -1.874 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.206 -8.196 -2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.864 -7.663 -3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.491 -6.911 -1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.452 -9.144 -0.648 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.934 -9.861 -2.161 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.974 -9.227 -3.263 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.454 -8.199 -1.928 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.552 -10.186 -0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.087 -11.210 -1.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.460 -11.217 -1.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.081 -10.524 -2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.531 -9.532 -1.657 1.00 0.00 H new ATOM 361 N CYS A 32 -0.380 -8.923 0.097 1.00 0.00 N ATOM 362 CA CYS A 32 -0.520 -9.429 1.417 1.00 0.00 C ATOM 363 C CYS A 32 0.602 -10.428 1.656 1.00 0.00 C ATOM 364 O CYS A 32 1.330 -10.793 0.720 1.00 0.00 O ATOM 365 CB CYS A 32 -1.903 -10.074 1.578 1.00 0.00 C ATOM 366 SG CYS A 32 -2.300 -10.700 3.227 1.00 0.00 S ATOM 0 H CYS A 32 -0.900 -9.443 -0.609 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.448 -8.631 2.156 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.659 -9.340 1.298 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.982 -10.899 0.870 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.541 -11.976 3.160 1.00 0.00 H new ATOM 372 N ASN A 33 0.734 -10.875 2.873 1.00 0.00 N ATOM 373 CA ASN A 33 1.789 -11.795 3.266 1.00 0.00 C ATOM 374 C ASN A 33 1.668 -13.131 2.555 1.00 0.00 C ATOM 375 O ASN A 33 2.658 -13.832 2.364 1.00 0.00 O ATOM 376 CB ASN A 33 1.783 -11.999 4.776 1.00 0.00 C ATOM 377 CG ASN A 33 2.143 -10.743 5.546 1.00 0.00 C ATOM 378 OD1 ASN A 33 1.276 -9.946 5.905 1.00 0.00 O ATOM 379 ND2 ASN A 33 3.410 -10.552 5.811 1.00 0.00 N ATOM 0 H ASN A 33 0.110 -10.614 3.636 1.00 0.00 H new ATOM 0 HA ASN A 33 2.738 -11.348 2.970 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.795 -12.338 5.087 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.487 -12.790 5.033 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.703 -9.724 6.329 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.104 -11.231 5.500 1.00 0.00 H new ATOM 386 N ASP A 34 0.465 -13.471 2.136 1.00 0.00 N ATOM 387 CA ASP A 34 0.221 -14.731 1.438 1.00 0.00 C ATOM 388 C ASP A 34 0.491 -14.594 -0.064 1.00 0.00 C ATOM 389 O ASP A 34 0.283 -15.531 -0.829 1.00 0.00 O ATOM 390 CB ASP A 34 -1.202 -15.251 1.696 1.00 0.00 C ATOM 391 CG ASP A 34 -2.274 -14.366 1.122 1.00 0.00 C ATOM 392 OD1 ASP A 34 -2.410 -13.213 1.563 1.00 0.00 O ATOM 393 OD2 ASP A 34 -3.017 -14.816 0.244 1.00 0.00 O1- ATOM 0 H ASP A 34 -0.366 -12.894 2.265 1.00 0.00 H new ATOM 0 HA ASP A 34 0.919 -15.466 1.839 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.299 -16.250 1.270 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.357 -15.347 2.771 1.00 0.00 H new ATOM 398 N GLY A 35 0.939 -13.417 -0.478 1.00 0.00 N ATOM 399 CA GLY A 35 1.372 -13.211 -1.849 1.00 0.00 C ATOM 400 C GLY A 35 0.306 -12.697 -2.789 1.00 0.00 C ATOM 401 O GLY A 35 0.594 -12.431 -3.966 1.00 0.00 O ATOM 0 H GLY A 35 1.011 -12.592 0.117 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.204 -12.507 -1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.753 -14.155 -2.239 1.00 0.00 H new ATOM 405 N ARG A 36 -0.912 -12.561 -2.308 1.00 0.00 N ATOM 406 CA ARG A 36 -1.990 -12.046 -3.146 1.00 0.00 C ATOM 407 C ARG A 36 -2.021 -10.549 -3.136 1.00 0.00 C ATOM 408 O ARG A 36 -1.613 -9.920 -2.159 1.00 0.00 O ATOM 409 CB ARG A 36 -3.378 -12.577 -2.749 1.00 0.00 C ATOM 410 CG ARG A 36 -3.740 -13.963 -3.263 1.00 0.00 C ATOM 411 CD ARG A 36 -2.833 -15.038 -2.731 1.00 0.00 C ATOM 412 NE ARG A 36 -3.298 -16.363 -3.103 1.00 0.00 N ATOM 413 CZ ARG A 36 -3.362 -17.404 -2.278 1.00 0.00 C ATOM 414 NH1 ARG A 36 -3.134 -17.241 -0.975 1.00 0.00 N1+ ATOM 415 NH2 ARG A 36 -3.725 -18.595 -2.746 1.00 0.00 N ATOM 0 H ARG A 36 -1.185 -12.795 -1.353 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.769 -12.407 -4.150 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.442 -12.588 -1.661 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.129 -11.872 -3.106 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.769 -14.191 -2.984 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.697 -13.964 -4.352 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.824 -14.885 -3.113 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.777 -14.963 -1.645 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.597 -16.505 -4.068 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.910 -16.316 -0.608 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.184 -18.041 -0.345 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.953 -18.707 -3.734 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.775 -19.396 -2.117 1.00 0.00 H new ATOM 429 N PHE A 37 -2.513 -9.992 -4.209 1.00 0.00 N ATOM 430 CA PHE A 37 -2.682 -8.574 -4.334 1.00 0.00 C ATOM 431 C PHE A 37 -4.133 -8.206 -4.205 1.00 0.00 C ATOM 432 O PHE A 37 -5.012 -8.863 -4.776 1.00 0.00 O ATOM 433 CB PHE A 37 -2.139 -8.042 -5.657 1.00 0.00 C ATOM 434 CG PHE A 37 -0.679 -7.708 -5.640 1.00 0.00 C ATOM 435 CD1 PHE A 37 -0.264 -6.533 -5.056 1.00 0.00 C ATOM 436 CD2 PHE A 37 0.269 -8.534 -6.219 1.00 0.00 C ATOM 437 CE1 PHE A 37 1.046 -6.162 -5.035 1.00 0.00 C ATOM 438 CE2 PHE A 37 1.612 -8.178 -6.200 1.00 0.00 C ATOM 439 CZ PHE A 37 2.002 -6.986 -5.605 1.00 0.00 C ATOM 0 H PHE A 37 -2.811 -10.519 -5.030 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.110 -8.114 -3.528 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.320 -8.784 -6.434 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.700 -7.149 -5.933 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.999 -5.886 -4.601 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.036 -9.458 -6.687 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.338 -5.229 -4.576 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.351 -8.827 -6.647 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.044 -6.703 -5.587 1.00 0.00 H new ATOM 449 N TYR A 38 -4.378 -7.210 -3.423 1.00 0.00 N ATOM 450 CA TYR A 38 -5.687 -6.668 -3.214 1.00 0.00 C ATOM 451 C TYR A 38 -5.671 -5.218 -3.650 1.00 0.00 C ATOM 452 O TYR A 38 -4.769 -4.481 -3.291 1.00 0.00 O ATOM 453 CB TYR A 38 -6.068 -6.770 -1.735 1.00 0.00 C ATOM 454 CG TYR A 38 -6.212 -8.180 -1.213 1.00 0.00 C ATOM 455 CD1 TYR A 38 -7.457 -8.771 -1.111 1.00 0.00 C ATOM 456 CD2 TYR A 38 -5.100 -8.918 -0.824 1.00 0.00 C ATOM 457 CE1 TYR A 38 -7.601 -10.057 -0.634 1.00 0.00 C ATOM 458 CE2 TYR A 38 -5.233 -10.206 -0.347 1.00 0.00 C ATOM 459 CZ TYR A 38 -6.489 -10.771 -0.253 1.00 0.00 C ATOM 460 OH TYR A 38 -6.628 -12.061 0.216 1.00 0.00 O ATOM 0 H TYR A 38 -3.651 -6.731 -2.891 1.00 0.00 H new ATOM 0 HA TYR A 38 -6.423 -7.226 -3.794 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.312 -6.254 -1.143 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.009 -6.242 -1.580 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.333 -8.216 -1.410 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.117 -8.477 -0.896 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.583 -10.501 -0.560 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.360 -10.768 -0.049 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.746 -12.424 0.441 1.00 0.00 H new ATOM 470 N LEU A 39 -6.621 -4.827 -4.447 1.00 0.00 N ATOM 471 CA LEU A 39 -6.691 -3.462 -4.941 1.00 0.00 C ATOM 472 C LEU A 39 -7.482 -2.576 -3.976 1.00 0.00 C ATOM 473 O LEU A 39 -8.675 -2.817 -3.722 1.00 0.00 O ATOM 474 CB LEU A 39 -7.297 -3.438 -6.364 1.00 0.00 C ATOM 475 CG LEU A 39 -7.509 -2.059 -7.016 1.00 0.00 C ATOM 476 CD1 LEU A 39 -6.249 -1.246 -6.948 1.00 0.00 C ATOM 477 CD2 LEU A 39 -7.901 -2.218 -8.469 1.00 0.00 C ATOM 0 H LEU A 39 -7.371 -5.433 -4.778 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.681 -3.057 -5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.650 -4.024 -7.017 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.260 -3.947 -6.329 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.305 -1.551 -6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.417 -0.275 -7.413 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.963 -1.104 -5.906 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.450 -1.768 -7.475 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.047 -1.235 -8.916 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.111 -2.746 -9.003 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.827 -2.788 -8.536 1.00 0.00 H new ATOM 489 N GLY A 40 -6.826 -1.571 -3.441 1.00 0.00 N ATOM 490 CA GLY A 40 -7.459 -0.686 -2.495 1.00 0.00 C ATOM 491 C GLY A 40 -7.105 0.765 -2.740 1.00 0.00 C ATOM 492 O GLY A 40 -6.262 1.067 -3.588 1.00 0.00 O ATOM 0 H GLY A 40 -5.852 -1.347 -3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.540 -0.809 -2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.161 -0.965 -1.484 1.00 0.00 H new ATOM 496 N THR A 41 -7.731 1.641 -1.994 1.00 0.00 N ATOM 497 CA THR A 41 -7.546 3.070 -2.119 1.00 0.00 C ATOM 498 C THR A 41 -6.824 3.612 -0.860 1.00 0.00 C ATOM 499 O THR A 41 -7.196 3.270 0.263 1.00 0.00 O ATOM 500 CB THR A 41 -8.939 3.724 -2.220 1.00 0.00 C ATOM 501 OG1 THR A 41 -9.734 2.993 -3.180 1.00 0.00 O ATOM 502 CG2 THR A 41 -8.832 5.176 -2.659 1.00 0.00 C ATOM 0 H THR A 41 -8.397 1.378 -1.268 1.00 0.00 H new ATOM 0 HA THR A 41 -6.948 3.297 -3.001 1.00 0.00 H new ATOM 0 HB THR A 41 -9.408 3.696 -1.237 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.339 3.088 -4.072 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.829 5.612 -2.722 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.238 5.732 -1.934 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.352 5.226 -3.636 1.00 0.00 H new ATOM 510 N ILE A 42 -5.795 4.420 -1.044 1.00 0.00 N ATOM 511 CA ILE A 42 -5.056 4.991 0.092 1.00 0.00 C ATOM 512 C ILE A 42 -5.875 6.091 0.768 1.00 0.00 C ATOM 513 O ILE A 42 -6.350 7.008 0.112 1.00 0.00 O ATOM 514 CB ILE A 42 -3.694 5.582 -0.349 1.00 0.00 C ATOM 515 CG1 ILE A 42 -2.931 4.542 -1.149 1.00 0.00 C ATOM 516 CG2 ILE A 42 -2.882 6.006 0.884 1.00 0.00 C ATOM 517 CD1 ILE A 42 -1.591 4.975 -1.628 1.00 0.00 C ATOM 0 H ILE A 42 -5.446 4.701 -1.960 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.875 4.177 0.794 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.863 6.461 -0.972 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.810 3.650 -0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.533 4.255 -2.011 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.926 6.420 0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.436 6.760 1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.707 5.139 1.520 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.125 4.164 -2.188 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.699 5.847 -2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.965 5.232 -0.774 1.00 0.00 H new ATOM 529 N ILE A 43 -6.037 5.991 2.060 1.00 0.00 N ATOM 530 CA ILE A 43 -6.800 6.989 2.814 1.00 0.00 C ATOM 531 C ILE A 43 -5.919 7.840 3.696 1.00 0.00 C ATOM 532 O ILE A 43 -6.245 8.998 3.960 1.00 0.00 O ATOM 533 CB ILE A 43 -7.917 6.403 3.703 1.00 0.00 C ATOM 534 CG1 ILE A 43 -7.387 5.282 4.595 1.00 0.00 C ATOM 535 CG2 ILE A 43 -9.118 5.949 2.887 1.00 0.00 C ATOM 536 CD1 ILE A 43 -7.362 3.941 3.980 1.00 0.00 C ATOM 0 H ILE A 43 -5.656 5.233 2.626 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.261 7.591 2.031 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.263 7.206 4.353 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.375 5.538 4.908 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.998 5.238 5.496 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.879 5.544 3.554 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.529 6.798 2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.808 5.179 2.180 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.969 3.219 4.696 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.373 3.654 3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.725 3.958 3.096 1.00 0.00 H new ATOM 548 N ASP A 44 -4.823 7.287 4.163 1.00 0.00 N ATOM 549 CA ASP A 44 -3.934 8.027 5.036 1.00 0.00 C ATOM 550 C ASP A 44 -2.544 7.510 4.779 1.00 0.00 C ATOM 551 O ASP A 44 -2.392 6.378 4.307 1.00 0.00 O ATOM 552 CB ASP A 44 -4.309 7.817 6.506 1.00 0.00 C ATOM 553 CG ASP A 44 -3.802 8.913 7.418 1.00 0.00 C ATOM 554 OD1 ASP A 44 -4.527 9.902 7.635 1.00 0.00 O ATOM 555 OD2 ASP A 44 -2.688 8.810 7.947 1.00 0.00 O1- ATOM 0 H ASP A 44 -4.525 6.334 3.956 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.004 9.096 4.835 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.394 7.756 6.591 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.909 6.861 6.842 1.00 0.00 H new ATOM 560 N GLN A 45 -1.549 8.286 5.064 1.00 0.00 N ATOM 561 CA GLN A 45 -0.201 7.894 4.760 1.00 0.00 C ATOM 562 C GLN A 45 0.768 8.367 5.816 1.00 0.00 C ATOM 563 O GLN A 45 0.595 9.443 6.394 1.00 0.00 O ATOM 564 CB GLN A 45 0.201 8.438 3.387 1.00 0.00 C ATOM 565 CG GLN A 45 0.177 9.956 3.252 1.00 0.00 C ATOM 566 CD GLN A 45 0.435 10.407 1.834 1.00 0.00 C ATOM 567 OE1 GLN A 45 -0.488 10.594 1.047 1.00 0.00 O ATOM 568 NE2 GLN A 45 1.675 10.560 1.484 1.00 0.00 N ATOM 0 H GLN A 45 -1.640 9.200 5.509 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.162 6.805 4.743 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.206 8.086 3.156 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.466 8.013 2.637 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.791 10.333 3.581 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.929 10.390 3.912 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.420 10.397 2.161 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.905 10.843 0.531 1.00 0.00 H new ATOM 577 N THR A 46 1.742 7.553 6.099 1.00 0.00 N ATOM 578 CA THR A 46 2.811 7.925 6.967 1.00 0.00 C ATOM 579 C THR A 46 4.107 7.796 6.158 1.00 0.00 C ATOM 580 O THR A 46 4.048 7.515 4.949 1.00 0.00 O ATOM 581 CB THR A 46 2.864 7.050 8.258 1.00 0.00 C ATOM 582 OG1 THR A 46 3.025 5.660 7.933 1.00 0.00 O ATOM 583 CG2 THR A 46 1.603 7.225 9.104 1.00 0.00 C ATOM 0 H THR A 46 1.814 6.605 5.729 1.00 0.00 H new ATOM 0 HA THR A 46 2.664 8.947 7.316 1.00 0.00 H new ATOM 0 HB THR A 46 3.725 7.387 8.835 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.551 5.462 7.098 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.673 6.601 9.995 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.505 8.270 9.399 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.730 6.929 8.522 1.00 0.00 H new ATOM 591 N SER A 47 5.241 8.009 6.767 1.00 0.00 N ATOM 592 CA SER A 47 6.505 7.917 6.063 1.00 0.00 C ATOM 593 C SER A 47 6.899 6.451 5.852 1.00 0.00 C ATOM 594 O SER A 47 7.712 6.131 4.972 1.00 0.00 O ATOM 595 CB SER A 47 7.577 8.631 6.870 1.00 0.00 C ATOM 596 OG SER A 47 7.141 9.932 7.236 1.00 0.00 O ATOM 0 H SER A 47 5.323 8.249 7.755 1.00 0.00 H new ATOM 0 HA SER A 47 6.404 8.388 5.085 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.811 8.054 7.765 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.495 8.700 6.286 1.00 0.00 H new ATOM 0 HG SER A 47 7.842 10.378 7.756 1.00 0.00 H new ATOM 602 N ASP A 48 6.319 5.572 6.659 1.00 0.00 N ATOM 603 CA ASP A 48 6.653 4.157 6.606 1.00 0.00 C ATOM 604 C ASP A 48 5.539 3.325 6.047 1.00 0.00 C ATOM 605 O ASP A 48 5.792 2.325 5.399 1.00 0.00 O ATOM 606 CB ASP A 48 7.004 3.581 7.987 1.00 0.00 C ATOM 607 CG ASP A 48 8.252 4.151 8.614 1.00 0.00 C ATOM 608 OD1 ASP A 48 9.335 3.548 8.450 1.00 0.00 O ATOM 609 OD2 ASP A 48 8.175 5.203 9.296 1.00 0.00 O1- ATOM 0 H ASP A 48 5.616 5.815 7.357 1.00 0.00 H new ATOM 0 HA ASP A 48 7.522 4.107 5.950 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.165 3.754 8.661 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.122 2.501 7.895 1.00 0.00 H new ATOM 614 N GLN A 49 4.314 3.697 6.314 1.00 0.00 N ATOM 615 CA GLN A 49 3.185 2.872 5.932 1.00 0.00 C ATOM 616 C GLN A 49 2.118 3.683 5.242 1.00 0.00 C ATOM 617 O GLN A 49 2.083 4.909 5.338 1.00 0.00 O ATOM 618 CB GLN A 49 2.592 2.181 7.166 1.00 0.00 C ATOM 619 CG GLN A 49 3.540 1.214 7.861 1.00 0.00 C ATOM 620 CD GLN A 49 2.984 0.671 9.160 1.00 0.00 C ATOM 621 OE1 GLN A 49 3.176 1.260 10.217 1.00 0.00 O ATOM 622 NE2 GLN A 49 2.334 -0.453 9.104 1.00 0.00 N ATOM 0 H GLN A 49 4.067 4.563 6.793 1.00 0.00 H new ATOM 0 HA GLN A 49 3.547 2.119 5.232 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.282 2.944 7.881 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.694 1.640 6.868 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.759 0.383 7.190 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.485 1.720 8.060 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.193 -0.916 8.206 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.965 -0.872 9.958 1.00 0.00 H new ATOM 631 N TYR A 50 1.266 3.005 4.542 1.00 0.00 N ATOM 632 CA TYR A 50 0.152 3.622 3.879 1.00 0.00 C ATOM 633 C TYR A 50 -1.118 2.907 4.287 1.00 0.00 C ATOM 634 O TYR A 50 -1.166 1.678 4.276 1.00 0.00 O ATOM 635 CB TYR A 50 0.350 3.588 2.357 1.00 0.00 C ATOM 636 CG TYR A 50 1.517 4.434 1.877 1.00 0.00 C ATOM 637 CD1 TYR A 50 1.318 5.767 1.614 1.00 0.00 C ATOM 638 CD2 TYR A 50 2.818 3.912 1.713 1.00 0.00 C ATOM 639 CE1 TYR A 50 2.349 6.581 1.206 1.00 0.00 C ATOM 640 CE2 TYR A 50 3.853 4.716 1.300 1.00 0.00 C ATOM 641 CZ TYR A 50 3.616 6.058 1.051 1.00 0.00 C ATOM 642 OH TYR A 50 4.645 6.877 0.629 1.00 0.00 O ATOM 0 H TYR A 50 1.321 1.995 4.410 1.00 0.00 H new ATOM 0 HA TYR A 50 0.078 4.669 4.173 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.506 2.556 2.042 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.563 3.934 1.872 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.329 6.186 1.730 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.002 2.867 1.915 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.167 7.627 1.008 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.843 4.305 1.171 1.00 0.00 H new ATOM 0 HH TYR A 50 5.474 6.357 0.571 1.00 0.00 H new ATOM 652 N LEU A 51 -2.119 3.667 4.689 1.00 0.00 N ATOM 653 CA LEU A 51 -3.375 3.106 5.131 1.00 0.00 C ATOM 654 C LEU A 51 -4.205 2.893 3.909 1.00 0.00 C ATOM 655 O LEU A 51 -4.490 3.857 3.179 1.00 0.00 O ATOM 656 CB LEU A 51 -4.114 4.056 6.099 1.00 0.00 C ATOM 657 CG LEU A 51 -5.352 3.485 6.797 1.00 0.00 C ATOM 658 CD1 LEU A 51 -5.001 2.279 7.634 1.00 0.00 C ATOM 659 CD2 LEU A 51 -6.034 4.545 7.645 1.00 0.00 C ATOM 0 H LEU A 51 -2.082 4.686 4.717 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.196 2.175 5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.409 4.381 6.864 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.414 4.945 5.544 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.049 3.165 6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.901 1.897 8.117 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.575 1.505 6.996 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.274 2.563 8.395 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.910 4.115 8.130 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.340 4.906 8.404 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.342 5.376 7.010 1.00 0.00 H new ATOM 671 N ILE A 52 -4.514 1.667 3.621 1.00 0.00 N ATOM 672 CA ILE A 52 -5.260 1.338 2.427 1.00 0.00 C ATOM 673 C ILE A 52 -6.649 0.852 2.782 1.00 0.00 C ATOM 674 O ILE A 52 -6.788 -0.019 3.629 1.00 0.00 O ATOM 675 CB ILE A 52 -4.540 0.247 1.601 1.00 0.00 C ATOM 676 CG1 ILE A 52 -3.035 0.536 1.541 1.00 0.00 C ATOM 677 CG2 ILE A 52 -5.120 0.168 0.195 1.00 0.00 C ATOM 678 CD1 ILE A 52 -2.697 1.876 0.946 1.00 0.00 C ATOM 0 H ILE A 52 -4.262 0.864 4.197 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.333 2.246 1.829 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.694 -0.715 2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.624 0.482 2.549 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.548 -0.244 0.956 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.600 -0.605 -0.370 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.181 -0.076 0.252 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.995 1.129 -0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.615 2.008 0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.077 1.927 -0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.154 2.665 1.543 1.00 0.00 H new ATOM 690 N ARG A 53 -7.653 1.422 2.156 1.00 0.00 N ATOM 691 CA ARG A 53 -9.010 1.012 2.349 1.00 0.00 C ATOM 692 C ARG A 53 -9.430 0.258 1.130 1.00 0.00 C ATOM 693 O ARG A 53 -9.477 0.808 0.018 1.00 0.00 O ATOM 694 CB ARG A 53 -9.935 2.212 2.587 1.00 0.00 C ATOM 695 CG ARG A 53 -11.380 1.862 2.885 1.00 0.00 C ATOM 696 CD ARG A 53 -12.137 3.107 3.286 1.00 0.00 C ATOM 697 NE ARG A 53 -13.552 2.865 3.583 1.00 0.00 N ATOM 698 CZ ARG A 53 -14.163 3.202 4.733 1.00 0.00 C ATOM 699 NH1 ARG A 53 -13.463 3.704 5.748 1.00 0.00 N1+ ATOM 700 NH2 ARG A 53 -15.474 3.062 4.859 1.00 0.00 N ATOM 0 H ARG A 53 -7.541 2.190 1.494 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.082 0.383 3.236 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.540 2.796 3.418 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.907 2.853 1.706 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.843 1.411 2.007 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.427 1.123 3.685 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.660 3.545 4.163 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.063 3.841 2.483 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.114 2.408 2.865 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.456 3.836 5.657 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.934 3.957 6.617 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -16.025 2.697 4.082 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.933 3.319 5.733 1.00 0.00 H new ATOM 714 N PHE A 54 -9.709 -0.975 1.323 1.00 0.00 N ATOM 715 CA PHE A 54 -10.074 -1.862 0.257 1.00 0.00 C ATOM 716 C PHE A 54 -11.549 -1.722 -0.055 1.00 0.00 C ATOM 717 O PHE A 54 -12.251 -0.967 0.617 1.00 0.00 O ATOM 718 CB PHE A 54 -9.701 -3.292 0.633 1.00 0.00 C ATOM 719 CG PHE A 54 -8.218 -3.453 0.892 1.00 0.00 C ATOM 720 CD1 PHE A 54 -7.679 -3.245 2.159 1.00 0.00 C ATOM 721 CD2 PHE A 54 -7.363 -3.783 -0.140 1.00 0.00 C ATOM 722 CE1 PHE A 54 -6.319 -3.366 2.378 1.00 0.00 C ATOM 723 CE2 PHE A 54 -6.007 -3.911 0.078 1.00 0.00 C ATOM 724 CZ PHE A 54 -5.484 -3.702 1.336 1.00 0.00 C ATOM 0 H PHE A 54 -9.693 -1.417 2.242 1.00 0.00 H new ATOM 0 HA PHE A 54 -9.526 -1.600 -0.648 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.257 -3.587 1.523 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.002 -3.966 -0.169 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.331 -2.986 2.980 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -7.761 -3.943 -1.131 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.913 -3.197 3.364 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.353 -4.176 -0.740 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.422 -3.802 1.504 1.00 0.00 H new ATOM 734 N ASP A 55 -12.019 -2.456 -1.049 1.00 0.00 N ATOM 735 CA ASP A 55 -13.420 -2.365 -1.506 1.00 0.00 C ATOM 736 C ASP A 55 -14.377 -2.820 -0.407 1.00 0.00 C ATOM 737 O ASP A 55 -15.513 -2.365 -0.309 1.00 0.00 O ATOM 738 CB ASP A 55 -13.609 -3.186 -2.791 1.00 0.00 C ATOM 739 CG ASP A 55 -14.996 -3.093 -3.402 1.00 0.00 C ATOM 740 OD1 ASP A 55 -15.841 -3.982 -3.133 1.00 0.00 O ATOM 741 OD2 ASP A 55 -15.241 -2.159 -4.222 1.00 0.00 O1- ATOM 0 H ASP A 55 -11.456 -3.131 -1.567 1.00 0.00 H new ATOM 0 HA ASP A 55 -13.652 -1.324 -1.731 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -12.878 -2.855 -3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -13.391 -4.232 -2.574 1.00 0.00 H new ATOM 746 N ASP A 56 -13.868 -3.665 0.452 1.00 0.00 N ATOM 747 CA ASP A 56 -14.594 -4.175 1.610 1.00 0.00 C ATOM 748 C ASP A 56 -14.484 -3.230 2.810 1.00 0.00 C ATOM 749 O ASP A 56 -14.923 -3.562 3.912 1.00 0.00 O ATOM 750 CB ASP A 56 -14.109 -5.584 1.978 1.00 0.00 C ATOM 751 CG ASP A 56 -12.600 -5.700 2.039 1.00 0.00 C ATOM 752 OD1 ASP A 56 -12.022 -5.618 3.132 1.00 0.00 O ATOM 753 OD2 ASP A 56 -11.970 -5.864 0.958 1.00 0.00 O1- ATOM 0 H ASP A 56 -12.919 -4.031 0.374 1.00 0.00 H new ATOM 0 HA ASP A 56 -15.648 -4.233 1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.528 -5.864 2.945 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.492 -6.295 1.246 1.00 0.00 H new ATOM 758 N GLN A 57 -13.914 -2.040 2.563 1.00 0.00 N ATOM 759 CA GLN A 57 -13.815 -0.921 3.527 1.00 0.00 C ATOM 760 C GLN A 57 -12.840 -1.182 4.679 1.00 0.00 C ATOM 761 O GLN A 57 -12.777 -0.399 5.642 1.00 0.00 O ATOM 762 CB GLN A 57 -15.189 -0.545 4.074 1.00 0.00 C ATOM 763 CG GLN A 57 -16.193 -0.163 3.009 1.00 0.00 C ATOM 764 CD GLN A 57 -17.549 0.120 3.586 1.00 0.00 C ATOM 765 OE1 GLN A 57 -17.671 0.574 4.731 1.00 0.00 O ATOM 766 NE2 GLN A 57 -18.567 -0.151 2.829 1.00 0.00 N ATOM 0 H GLN A 57 -13.495 -1.818 1.660 1.00 0.00 H new ATOM 0 HA GLN A 57 -13.408 -0.083 2.961 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -15.583 -1.385 4.646 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -15.077 0.288 4.768 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -15.836 0.717 2.474 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -16.271 -0.969 2.279 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -18.420 -0.524 1.891 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -19.514 0.009 3.172 1.00 0.00 H new ATOM 775 N SER A 58 -12.093 -2.246 4.594 1.00 0.00 N ATOM 776 CA SER A 58 -11.092 -2.532 5.590 1.00 0.00 C ATOM 777 C SER A 58 -9.878 -1.644 5.326 1.00 0.00 C ATOM 778 O SER A 58 -9.502 -1.439 4.165 1.00 0.00 O ATOM 779 CB SER A 58 -10.720 -4.007 5.525 1.00 0.00 C ATOM 780 OG SER A 58 -11.901 -4.814 5.602 1.00 0.00 O ATOM 0 H SER A 58 -12.156 -2.934 3.843 1.00 0.00 H new ATOM 0 HA SER A 58 -11.472 -2.324 6.590 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.187 -4.216 4.597 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.045 -4.257 6.344 1.00 0.00 H new ATOM 0 HG SER A 58 -12.227 -5.004 4.698 1.00 0.00 H new ATOM 786 N GLU A 59 -9.312 -1.095 6.374 1.00 0.00 N ATOM 787 CA GLU A 59 -8.187 -0.201 6.268 1.00 0.00 C ATOM 788 C GLU A 59 -6.986 -0.849 6.926 1.00 0.00 C ATOM 789 O GLU A 59 -7.058 -1.269 8.076 1.00 0.00 O ATOM 790 CB GLU A 59 -8.508 1.115 6.958 1.00 0.00 C ATOM 791 CG GLU A 59 -9.764 1.786 6.434 1.00 0.00 C ATOM 792 CD GLU A 59 -10.065 3.075 7.128 1.00 0.00 C ATOM 793 OE1 GLU A 59 -10.674 3.052 8.210 1.00 0.00 O ATOM 794 OE2 GLU A 59 -9.721 4.134 6.601 1.00 0.00 O1- ATOM 0 H GLU A 59 -9.623 -1.258 7.332 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.970 -0.002 5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.621 0.937 8.027 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.665 1.795 6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.653 1.971 5.366 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.609 1.108 6.554 1.00 0.00 H new ATOM 801 N GLN A 60 -5.904 -0.944 6.213 1.00 0.00 N ATOM 802 CA GLN A 60 -4.730 -1.618 6.729 1.00 0.00 C ATOM 803 C GLN A 60 -3.488 -0.775 6.433 1.00 0.00 C ATOM 804 O GLN A 60 -3.401 -0.172 5.360 1.00 0.00 O ATOM 805 CB GLN A 60 -4.596 -2.983 6.035 1.00 0.00 C ATOM 806 CG GLN A 60 -3.699 -3.972 6.760 1.00 0.00 C ATOM 807 CD GLN A 60 -4.335 -4.488 8.042 1.00 0.00 C ATOM 808 OE1 GLN A 60 -5.555 -4.609 8.143 1.00 0.00 O ATOM 809 NE2 GLN A 60 -3.533 -4.767 9.025 1.00 0.00 N ATOM 0 H GLN A 60 -5.801 -0.566 5.271 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.825 -1.756 7.806 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.588 -3.422 5.929 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.207 -2.828 5.029 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.479 -4.812 6.101 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.748 -3.494 6.995 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.526 -4.656 8.909 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.910 -5.097 9.913 1.00 0.00 H new ATOM 818 N TRP A 61 -2.537 -0.736 7.351 1.00 0.00 N ATOM 819 CA TRP A 61 -1.296 -0.003 7.121 1.00 0.00 C ATOM 820 C TRP A 61 -0.305 -0.931 6.465 1.00 0.00 C ATOM 821 O TRP A 61 0.220 -1.841 7.085 1.00 0.00 O ATOM 822 CB TRP A 61 -0.702 0.547 8.429 1.00 0.00 C ATOM 823 CG TRP A 61 -1.433 1.710 9.002 1.00 0.00 C ATOM 824 CD1 TRP A 61 -2.307 1.709 10.041 1.00 0.00 C ATOM 825 CD2 TRP A 61 -1.340 3.060 8.558 1.00 0.00 C ATOM 826 NE1 TRP A 61 -2.766 2.983 10.271 1.00 0.00 N ATOM 827 CE2 TRP A 61 -2.185 3.830 9.364 1.00 0.00 C ATOM 828 CE3 TRP A 61 -0.622 3.687 7.554 1.00 0.00 C ATOM 829 CZ2 TRP A 61 -2.328 5.199 9.183 1.00 0.00 C ATOM 830 CZ3 TRP A 61 -0.769 5.041 7.375 1.00 0.00 C ATOM 831 CH2 TRP A 61 -1.610 5.780 8.181 1.00 0.00 C ATOM 0 H TRP A 61 -2.596 -1.199 8.258 1.00 0.00 H new ATOM 0 HA TRP A 61 -1.513 0.850 6.478 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -0.683 -0.253 9.169 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.333 0.838 8.248 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.599 0.835 10.604 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.430 3.254 10.997 1.00 0.00 H new ATOM 0 HE3 TRP A 61 0.044 3.120 6.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.984 5.782 9.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.217 5.536 6.590 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -1.701 6.843 8.014 1.00 0.00 H new ATOM 842 N CYS A 62 -0.045 -0.678 5.229 1.00 0.00 N ATOM 843 CA CYS A 62 0.754 -1.551 4.428 1.00 0.00 C ATOM 844 C CYS A 62 2.095 -0.910 4.103 1.00 0.00 C ATOM 845 O CYS A 62 2.218 0.324 4.106 1.00 0.00 O ATOM 846 CB CYS A 62 -0.014 -1.847 3.146 1.00 0.00 C ATOM 847 SG CYS A 62 -1.719 -2.386 3.438 1.00 0.00 S ATOM 0 H CYS A 62 -0.383 0.149 4.737 1.00 0.00 H new ATOM 0 HA CYS A 62 0.954 -2.474 4.973 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.025 -0.953 2.523 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.513 -2.619 2.586 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.329 -1.511 4.181 1.00 0.00 H new ATOM 853 N GLU A 63 3.091 -1.745 3.850 1.00 0.00 N ATOM 854 CA GLU A 63 4.413 -1.289 3.470 1.00 0.00 C ATOM 855 C GLU A 63 4.406 -0.821 2.038 1.00 0.00 C ATOM 856 O GLU A 63 3.688 -1.378 1.207 1.00 0.00 O ATOM 857 CB GLU A 63 5.428 -2.409 3.577 1.00 0.00 C ATOM 858 CG GLU A 63 5.620 -2.929 4.953 1.00 0.00 C ATOM 859 CD GLU A 63 6.377 -4.234 4.974 1.00 0.00 C ATOM 860 OE1 GLU A 63 7.587 -4.246 5.322 1.00 0.00 O ATOM 861 OE2 GLU A 63 5.801 -5.279 4.609 1.00 0.00 O1- ATOM 0 H GLU A 63 3.002 -2.760 3.903 1.00 0.00 H new ATOM 0 HA GLU A 63 4.683 -0.477 4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.116 -3.230 2.931 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.386 -2.053 3.199 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.159 -2.190 5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.647 -3.069 5.425 1.00 0.00 H new ATOM 868 N PRO A 64 5.213 0.182 1.730 1.00 0.00 N ATOM 869 CA PRO A 64 5.354 0.704 0.374 1.00 0.00 C ATOM 870 C PRO A 64 5.786 -0.371 -0.652 1.00 0.00 C ATOM 871 O PRO A 64 5.435 -0.281 -1.821 1.00 0.00 O ATOM 872 CB PRO A 64 6.387 1.827 0.488 1.00 0.00 C ATOM 873 CG PRO A 64 6.568 2.098 1.950 1.00 0.00 C ATOM 874 CD PRO A 64 6.007 0.929 2.711 1.00 0.00 C ATOM 0 HA PRO A 64 4.396 1.059 -0.006 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.331 1.533 0.029 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.045 2.722 -0.032 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.624 2.234 2.185 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.057 3.018 2.233 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.802 0.311 3.127 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.391 1.261 3.547 1.00 0.00 H new ATOM 882 N ASP A 65 6.516 -1.411 -0.197 1.00 0.00 N ATOM 883 CA ASP A 65 6.911 -2.529 -1.092 1.00 0.00 C ATOM 884 C ASP A 65 5.720 -3.420 -1.429 1.00 0.00 C ATOM 885 O ASP A 65 5.762 -4.202 -2.385 1.00 0.00 O ATOM 886 CB ASP A 65 8.061 -3.403 -0.519 1.00 0.00 C ATOM 887 CG ASP A 65 7.697 -4.235 0.718 1.00 0.00 C ATOM 888 OD1 ASP A 65 7.928 -3.756 1.842 1.00 0.00 O ATOM 889 OD2 ASP A 65 7.219 -5.397 0.596 1.00 0.00 O1- ATOM 0 H ASP A 65 6.841 -1.504 0.765 1.00 0.00 H new ATOM 0 HA ASP A 65 7.282 -2.052 -1.999 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.407 -4.078 -1.302 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.898 -2.753 -0.266 1.00 0.00 H new ATOM 894 N LYS A 66 4.658 -3.294 -0.661 1.00 0.00 N ATOM 895 CA LYS A 66 3.461 -4.086 -0.881 1.00 0.00 C ATOM 896 C LYS A 66 2.540 -3.381 -1.846 1.00 0.00 C ATOM 897 O LYS A 66 1.695 -4.000 -2.469 1.00 0.00 O ATOM 898 CB LYS A 66 2.726 -4.358 0.436 1.00 0.00 C ATOM 899 CG LYS A 66 3.511 -5.180 1.437 1.00 0.00 C ATOM 900 CD LYS A 66 3.895 -6.521 0.854 1.00 0.00 C ATOM 901 CE LYS A 66 4.558 -7.401 1.875 1.00 0.00 C ATOM 902 NZ LYS A 66 5.795 -6.795 2.416 1.00 0.00 N1+ ATOM 0 H LYS A 66 4.597 -2.648 0.126 1.00 0.00 H new ATOM 0 HA LYS A 66 3.765 -5.042 -1.306 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.464 -3.404 0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.791 -4.873 0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.409 -4.638 1.734 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.916 -5.328 2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.005 -7.018 0.468 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.568 -6.372 0.010 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.863 -7.594 2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.795 -8.364 1.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.357 -7.525 2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.351 -6.388 1.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.547 -6.045 3.093 1.00 0.00 H new ATOM 916 N LEU A 67 2.742 -2.100 -1.972 1.00 0.00 N ATOM 917 CA LEU A 67 1.945 -1.257 -2.818 1.00 0.00 C ATOM 918 C LEU A 67 2.546 -1.180 -4.186 1.00 0.00 C ATOM 919 O LEU A 67 3.763 -1.056 -4.325 1.00 0.00 O ATOM 920 CB LEU A 67 1.880 0.124 -2.213 1.00 0.00 C ATOM 921 CG LEU A 67 1.124 0.223 -0.910 1.00 0.00 C ATOM 922 CD1 LEU A 67 1.883 1.016 0.089 1.00 0.00 C ATOM 923 CD2 LEU A 67 -0.166 0.881 -1.144 1.00 0.00 C ATOM 0 H LEU A 67 3.482 -1.601 -1.478 1.00 0.00 H new ATOM 0 HA LEU A 67 0.941 -1.674 -2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.897 0.480 -2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.417 0.797 -2.935 1.00 0.00 H new ATOM 0 HG LEU A 67 0.978 -0.786 -0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.315 1.071 1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.844 0.538 0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.048 2.023 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.713 0.953 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.003 1.881 -1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.747 0.298 -1.858 1.00 0.00 H new ATOM 935 N ARG A 68 1.720 -1.290 -5.191 1.00 0.00 N ATOM 936 CA ARG A 68 2.159 -1.189 -6.571 1.00 0.00 C ATOM 937 C ARG A 68 1.222 -0.265 -7.317 1.00 0.00 C ATOM 938 O ARG A 68 -0.005 -0.343 -7.131 1.00 0.00 O ATOM 939 CB ARG A 68 2.167 -2.576 -7.244 1.00 0.00 C ATOM 940 CG ARG A 68 2.995 -3.613 -6.500 1.00 0.00 C ATOM 941 CD ARG A 68 4.476 -3.249 -6.459 1.00 0.00 C ATOM 942 NE ARG A 68 5.198 -4.019 -5.434 1.00 0.00 N ATOM 943 CZ ARG A 68 6.086 -4.993 -5.664 1.00 0.00 C ATOM 944 NH1 ARG A 68 6.344 -5.393 -6.905 1.00 0.00 N1+ ATOM 945 NH2 ARG A 68 6.709 -5.561 -4.642 1.00 0.00 N ATOM 0 H ARG A 68 0.719 -1.453 -5.084 1.00 0.00 H new ATOM 0 HA ARG A 68 3.174 -0.792 -6.594 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.141 -2.935 -7.328 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.553 -2.475 -8.258 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.619 -3.713 -5.482 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.875 -4.584 -6.981 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.923 -3.434 -7.436 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.583 -2.183 -6.256 1.00 0.00 H new ATOM 0 HE ARG A 68 5.004 -3.789 -4.459 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.863 -4.957 -7.692 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.023 -6.136 -7.071 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.510 -5.255 -3.690 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.388 -6.304 -4.808 1.00 0.00 H new ATOM 959 N LYS A 69 1.791 0.618 -8.124 1.00 0.00 N ATOM 960 CA LYS A 69 1.009 1.547 -8.927 1.00 0.00 C ATOM 961 C LYS A 69 0.251 0.789 -10.003 1.00 0.00 C ATOM 962 O LYS A 69 0.745 -0.217 -10.526 1.00 0.00 O ATOM 963 CB LYS A 69 1.882 2.624 -9.604 1.00 0.00 C ATOM 964 CG LYS A 69 2.516 3.686 -8.691 1.00 0.00 C ATOM 965 CD LYS A 69 3.632 3.151 -7.818 1.00 0.00 C ATOM 966 CE LYS A 69 4.506 4.277 -7.239 1.00 0.00 C ATOM 967 NZ LYS A 69 3.734 5.444 -6.724 1.00 0.00 N1+ ATOM 0 H LYS A 69 2.800 0.711 -8.241 1.00 0.00 H new ATOM 0 HA LYS A 69 0.320 2.048 -8.247 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.683 2.120 -10.144 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.271 3.137 -10.347 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.906 4.496 -9.307 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.742 4.114 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.205 2.568 -7.002 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.255 2.473 -8.402 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.113 3.871 -6.430 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.193 4.622 -8.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.205 5.827 -5.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.686 6.180 -7.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.771 5.141 -6.475 1.00 0.00 H new ATOM 981 N LEU A 70 -0.927 1.257 -10.337 1.00 0.00 N ATOM 982 CA LEU A 70 -1.746 0.597 -11.349 1.00 0.00 C ATOM 983 C LEU A 70 -1.287 0.979 -12.741 1.00 0.00 C ATOM 984 O LEU A 70 -1.521 0.239 -13.707 1.00 0.00 O ATOM 985 CB LEU A 70 -3.226 0.955 -11.213 1.00 0.00 C ATOM 986 CG LEU A 70 -3.871 0.772 -9.847 1.00 0.00 C ATOM 987 CD1 LEU A 70 -5.354 0.954 -9.952 1.00 0.00 C ATOM 988 CD2 LEU A 70 -3.562 -0.569 -9.261 1.00 0.00 C ATOM 0 H LEU A 70 -1.348 2.091 -9.929 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.627 -0.475 -11.193 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.348 1.998 -11.505 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.784 0.355 -11.932 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.455 1.529 -9.181 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.807 0.821 -8.970 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.572 1.957 -10.320 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.763 0.217 -10.643 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.041 -0.659 -8.286 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.936 -1.350 -9.923 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.483 -0.676 -9.147 1.00 0.00 H new ATOM 1000 N GLY A 71 -0.647 2.121 -12.842 1.00 0.00 N ATOM 1001 CA GLY A 71 -0.191 2.598 -14.115 1.00 0.00 C ATOM 1002 C GLY A 71 1.227 2.174 -14.419 1.00 0.00 C ATOM 1003 O GLY A 71 1.444 1.207 -15.161 1.00 0.00 O ATOM 0 H GLY A 71 -0.433 2.733 -12.054 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.853 2.226 -14.897 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.253 3.686 -14.135 1.00 0.00 H new ATOM 1007 N GLY A 72 2.188 2.873 -13.852 1.00 0.00 N ATOM 1008 CA GLY A 72 3.577 2.557 -14.125 1.00 0.00 C ATOM 1009 C GLY A 72 4.579 3.117 -13.115 1.00 0.00 C ATOM 1010 O GLY A 72 5.762 2.776 -13.168 1.00 0.00 O ATOM 0 H GLY A 72 2.039 3.651 -13.210 1.00 0.00 H new ATOM 0 HA2 GLY A 72 3.687 1.473 -14.160 1.00 0.00 H new ATOM 0 HA3 GLY A 72 3.832 2.935 -15.115 1.00 0.00 H new ATOM 1014 N GLY A 73 4.150 3.959 -12.203 1.00 0.00 N ATOM 1015 CA GLY A 73 5.096 4.491 -11.231 1.00 0.00 C ATOM 1016 C GLY A 73 4.783 5.906 -10.857 1.00 0.00 C ATOM 1017 O GLY A 73 4.341 6.168 -9.740 1.00 0.00 O ATOM 0 H GLY A 73 3.188 4.286 -12.108 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.084 3.869 -10.336 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.104 4.440 -11.642 1.00 0.00 H new ATOM 1021 N SER A 74 5.007 6.820 -11.783 1.00 0.00 N ATOM 1022 CA SER A 74 4.651 8.215 -11.587 1.00 0.00 C ATOM 1023 C SER A 74 3.129 8.293 -11.539 1.00 0.00 C ATOM 1024 O SER A 74 2.538 9.119 -10.839 1.00 0.00 O ATOM 1025 CB SER A 74 5.196 9.030 -12.752 1.00 0.00 C ATOM 1026 OG SER A 74 6.576 8.737 -12.947 1.00 0.00 O ATOM 0 H SER A 74 5.437 6.620 -12.686 1.00 0.00 H new ATOM 0 HA SER A 74 5.071 8.612 -10.663 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.636 8.803 -13.659 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.066 10.094 -12.555 1.00 0.00 H new ATOM 0 HG SER A 74 6.919 9.264 -13.699 1.00 0.00 H new ATOM 1032 N SER A 75 2.534 7.394 -12.274 1.00 0.00 N ATOM 1033 CA SER A 75 1.147 7.164 -12.314 1.00 0.00 C ATOM 1034 C SER A 75 1.039 5.739 -12.833 1.00 0.00 C ATOM 1035 O SER A 75 0.773 5.545 -14.019 1.00 0.00 O ATOM 1036 CB SER A 75 0.478 8.171 -13.271 1.00 0.00 C ATOM 1037 OG SER A 75 -0.949 8.177 -13.155 1.00 0.00 O ATOM 1038 OXT SER A 75 1.430 4.808 -12.082 1.00 0.00 O ATOM 0 H SER A 75 3.053 6.772 -12.894 1.00 0.00 H new ATOM 0 HA SER A 75 0.651 7.288 -11.351 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.860 9.171 -13.065 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.754 7.930 -14.297 1.00 0.00 H new ATOM 0 HG SER A 75 -1.325 8.832 -13.780 1.00 0.00 H new TER 1044 SER A 75