USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 506 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 Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 26:sc= 0.222 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0727 X(o=-0.073,f=-0.47) USER MOD Single : A 34 CYS SG : rot -45:sc= -0.0961 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 46:sc= 0.372 USER MOD Single : A 54 THR OG1 : rot -157:sc= -1.08 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0202) USER MOD Single : A 71 HIS : no HD1:sc= 0.0313 K(o=0.031,f=-0.69) USER MOD Single : A 73 SER OG : rot 180:sc= -0.0228 USER MOD Single : A 78 GLN : amide:sc= -0.311 K(o=-0.31,f=-2.7!) USER MOD Single : A 88 GLN : amide:sc= -3.78! X(o=-3.8!,f=-3.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 -5.377 -0.538 -0.313 1.00 0.00 N ATOM 2 CA MET A 23 -4.569 0.363 0.491 1.00 0.00 C ATOM 3 C MET A 23 -3.331 0.825 -0.279 1.00 0.00 C ATOM 4 O MET A 23 -2.203 0.582 0.148 1.00 0.00 O ATOM 5 CB MET A 23 -4.137 -0.347 1.775 1.00 0.00 C ATOM 6 CG MET A 23 -5.150 -0.116 2.898 1.00 0.00 C ATOM 7 SD MET A 23 -6.272 -1.501 3.002 1.00 0.00 S ATOM 8 CE MET A 23 -7.834 -0.643 2.899 1.00 0.00 C ATOM 0 HA MET A 23 -5.169 1.240 0.735 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.035 -1.416 1.587 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.157 0.017 2.084 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.630 0.013 3.847 1.00 0.00 H new ATOM 0 HG3 MET A 23 -5.708 0.802 2.713 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.649 -1.365 2.949 1.00 0.00 H new ATOM 0 HE2 MET A 23 -7.919 0.059 3.729 1.00 0.00 H new ATOM 0 HE3 MET A 23 -7.889 -0.099 1.956 1.00 0.00 H new ATOM 18 N SER A 24 -3.582 1.485 -1.400 1.00 0.00 N ATOM 19 CA SER A 24 -2.502 1.983 -2.234 1.00 0.00 C ATOM 20 C SER A 24 -2.182 3.433 -1.864 1.00 0.00 C ATOM 21 O SER A 24 -3.064 4.290 -1.877 1.00 0.00 O ATOM 22 CB SER A 24 -2.859 1.880 -3.718 1.00 0.00 C ATOM 23 OG SER A 24 -4.036 2.618 -4.037 1.00 0.00 O ATOM 0 H SER A 24 -4.519 1.686 -1.750 1.00 0.00 H new ATOM 0 HA SER A 24 -1.621 1.366 -2.057 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.027 2.249 -4.317 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.004 0.833 -3.984 1.00 0.00 H new ATOM 0 HG SER A 24 -4.148 3.349 -3.394 1.00 0.00 H new ATOM 29 N ILE A 25 -0.917 3.663 -1.544 1.00 0.00 N ATOM 30 CA ILE A 25 -0.469 4.994 -1.171 1.00 0.00 C ATOM 31 C ILE A 25 -0.487 5.897 -2.406 1.00 0.00 C ATOM 32 O ILE A 25 -0.175 5.453 -3.509 1.00 0.00 O ATOM 33 CB ILE A 25 0.893 4.927 -0.477 1.00 0.00 C ATOM 34 CG1 ILE A 25 1.967 4.397 -1.429 1.00 0.00 C ATOM 35 CG2 ILE A 25 0.812 4.104 0.810 1.00 0.00 C ATOM 36 CD1 ILE A 25 2.515 5.518 -2.315 1.00 0.00 C ATOM 0 H ILE A 25 -0.188 2.950 -1.535 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.149 5.435 -0.443 1.00 0.00 H new ATOM 0 HB ILE A 25 1.183 5.939 -0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.780 3.952 -0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.548 3.607 -2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.793 4.072 1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.095 4.563 1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.490 3.090 0.574 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.277 5.115 -2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.704 5.944 -2.905 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.955 6.294 -1.689 1.00 0.00 H new ATOM 48 N GLU A 26 -0.854 7.150 -2.178 1.00 0.00 N ATOM 49 CA GLU A 26 -0.916 8.120 -3.258 1.00 0.00 C ATOM 50 C GLU A 26 -0.001 9.309 -2.957 1.00 0.00 C ATOM 51 O GLU A 26 0.425 9.496 -1.819 1.00 0.00 O ATOM 52 CB GLU A 26 -2.355 8.582 -3.498 1.00 0.00 C ATOM 53 CG GLU A 26 -2.652 8.694 -4.995 1.00 0.00 C ATOM 54 CD GLU A 26 -3.057 10.122 -5.368 1.00 0.00 C ATOM 55 OE1 GLU A 26 -2.154 10.874 -5.795 1.00 0.00 O ATOM 56 OE2 GLU A 26 -4.259 10.429 -5.218 1.00 0.00 O ATOM 0 H GLU A 26 -1.111 7.515 -1.261 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.566 7.640 -4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.048 7.878 -3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.516 9.548 -3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.772 8.401 -5.567 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.451 8.003 -5.264 1.00 0.00 H new ATOM 63 N ILE A 27 0.274 10.081 -3.998 1.00 0.00 N ATOM 64 CA ILE A 27 1.130 11.246 -3.859 1.00 0.00 C ATOM 65 C ILE A 27 0.551 12.400 -4.680 1.00 0.00 C ATOM 66 O ILE A 27 -0.115 12.176 -5.690 1.00 0.00 O ATOM 67 CB ILE A 27 2.574 10.897 -4.225 1.00 0.00 C ATOM 68 CG1 ILE A 27 3.555 11.889 -3.595 1.00 0.00 C ATOM 69 CG2 ILE A 27 2.749 10.802 -5.742 1.00 0.00 C ATOM 70 CD1 ILE A 27 3.579 13.205 -4.375 1.00 0.00 C ATOM 0 H ILE A 27 -0.081 9.922 -4.941 1.00 0.00 H new ATOM 0 HA ILE A 27 1.159 11.575 -2.820 1.00 0.00 H new ATOM 0 HB ILE A 27 2.802 9.914 -3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.270 12.080 -2.560 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.555 11.455 -3.576 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.784 10.553 -5.974 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.092 10.027 -6.136 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.495 11.759 -6.198 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.284 13.893 -3.907 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.887 13.013 -5.403 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.583 13.648 -4.372 1.00 0.00 H new ATOM 82 N ASP A 28 0.824 13.611 -4.215 1.00 0.00 N ATOM 83 CA ASP A 28 0.338 14.800 -4.893 1.00 0.00 C ATOM 84 C ASP A 28 1.491 15.791 -5.066 1.00 0.00 C ATOM 85 O ASP A 28 1.755 16.602 -4.179 1.00 0.00 O ATOM 86 CB ASP A 28 -0.759 15.489 -4.079 1.00 0.00 C ATOM 87 CG ASP A 28 -2.072 15.720 -4.830 1.00 0.00 C ATOM 88 OD1 ASP A 28 -2.899 16.495 -4.302 1.00 0.00 O ATOM 89 OD2 ASP A 28 -2.220 15.116 -5.914 1.00 0.00 O ATOM 0 H ASP A 28 1.376 13.794 -3.377 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.066 14.496 -5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.965 14.888 -3.193 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.383 16.451 -3.731 1.00 0.00 H new ATOM 94 N SER A 29 2.148 15.692 -6.212 1.00 0.00 N ATOM 95 CA SER A 29 3.267 16.569 -6.512 1.00 0.00 C ATOM 96 C SER A 29 2.758 17.977 -6.831 1.00 0.00 C ATOM 97 O SER A 29 3.438 18.964 -6.557 1.00 0.00 O ATOM 98 CB SER A 29 4.095 16.027 -7.679 1.00 0.00 C ATOM 99 OG SER A 29 5.491 16.234 -7.484 1.00 0.00 O ATOM 0 H SER A 29 1.927 15.017 -6.944 1.00 0.00 H new ATOM 0 HA SER A 29 3.912 16.613 -5.634 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.900 14.961 -7.798 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.782 16.514 -8.603 1.00 0.00 H new ATOM 0 HG SER A 29 5.985 15.873 -8.249 1.00 0.00 H new ATOM 105 N GLU A 30 1.564 18.024 -7.405 1.00 0.00 N ATOM 106 CA GLU A 30 0.956 19.293 -7.764 1.00 0.00 C ATOM 107 C GLU A 30 0.887 20.213 -6.543 1.00 0.00 C ATOM 108 O GLU A 30 1.318 21.363 -6.603 1.00 0.00 O ATOM 109 CB GLU A 30 -0.432 19.084 -8.372 1.00 0.00 C ATOM 110 CG GLU A 30 -0.653 20.012 -9.568 1.00 0.00 C ATOM 111 CD GLU A 30 -2.143 20.290 -9.779 1.00 0.00 C ATOM 112 OE1 GLU A 30 -2.594 21.354 -9.303 1.00 0.00 O ATOM 113 OE2 GLU A 30 -2.796 19.432 -10.411 1.00 0.00 O ATOM 0 H GLU A 30 1.002 17.203 -7.630 1.00 0.00 H new ATOM 0 HA GLU A 30 1.579 19.771 -8.520 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.542 18.046 -8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.195 19.270 -7.617 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.124 20.951 -9.407 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.233 19.559 -10.466 1.00 0.00 H new ATOM 120 N GLN A 31 0.342 19.671 -5.464 1.00 0.00 N ATOM 121 CA GLN A 31 0.211 20.429 -4.231 1.00 0.00 C ATOM 122 C GLN A 31 1.399 20.150 -3.308 1.00 0.00 C ATOM 123 O GLN A 31 1.735 20.972 -2.458 1.00 0.00 O ATOM 124 CB GLN A 31 -1.113 20.114 -3.532 1.00 0.00 C ATOM 125 CG GLN A 31 -2.224 21.047 -4.015 1.00 0.00 C ATOM 126 CD GLN A 31 -3.063 21.556 -2.841 1.00 0.00 C ATOM 127 OE1 GLN A 31 -2.552 21.957 -1.808 1.00 0.00 O ATOM 128 NE2 GLN A 31 -4.374 21.518 -3.056 1.00 0.00 N ATOM 0 H GLN A 31 -0.014 18.716 -5.418 1.00 0.00 H new ATOM 0 HA GLN A 31 0.210 21.491 -4.478 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.393 19.079 -3.726 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.992 20.215 -2.453 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.788 21.892 -4.548 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.864 20.520 -4.722 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.735 21.170 -3.944 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.019 21.837 -2.333 1.00 0.00 H new ATOM 137 N GLY A 32 2.001 18.987 -3.507 1.00 0.00 N ATOM 138 CA GLY A 32 3.145 18.589 -2.703 1.00 0.00 C ATOM 139 C GLY A 32 2.694 17.902 -1.413 1.00 0.00 C ATOM 140 O GLY A 32 3.429 17.883 -0.426 1.00 0.00 O ATOM 0 H GLY A 32 1.719 18.307 -4.213 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.780 17.914 -3.276 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.747 19.465 -2.462 1.00 0.00 H new ATOM 144 N VAL A 33 1.490 17.353 -1.461 1.00 0.00 N ATOM 145 CA VAL A 33 0.933 16.666 -0.308 1.00 0.00 C ATOM 146 C VAL A 33 0.858 15.166 -0.600 1.00 0.00 C ATOM 147 O VAL A 33 0.958 14.749 -1.753 1.00 0.00 O ATOM 148 CB VAL A 33 -0.424 17.272 0.057 1.00 0.00 C ATOM 149 CG1 VAL A 33 -1.265 16.284 0.867 1.00 0.00 C ATOM 150 CG2 VAL A 33 -0.250 18.592 0.812 1.00 0.00 C ATOM 0 H VAL A 33 0.884 17.370 -2.281 1.00 0.00 H new ATOM 0 HA VAL A 33 1.577 16.796 0.562 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.957 17.484 -0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.224 16.739 1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.432 15.381 0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.739 16.026 1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.229 19.001 1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.312 18.415 1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.292 19.301 0.186 1.00 0.00 H new ATOM 160 N CYS A 34 0.684 14.396 0.464 1.00 0.00 N ATOM 161 CA CYS A 34 0.595 12.952 0.337 1.00 0.00 C ATOM 162 C CYS A 34 -0.772 12.507 0.861 1.00 0.00 C ATOM 163 O CYS A 34 -1.277 13.059 1.836 1.00 0.00 O ATOM 164 CB CYS A 34 1.742 12.248 1.065 1.00 0.00 C ATOM 165 SG CYS A 34 2.083 13.088 2.655 1.00 0.00 S ATOM 0 H CYS A 34 0.602 14.746 1.419 1.00 0.00 H new ATOM 0 HA CYS A 34 0.691 12.670 -0.712 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.484 11.204 1.244 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.637 12.253 0.442 1.00 0.00 H new ATOM 0 HG CYS A 34 2.112 14.374 2.469 1.00 0.00 H new ATOM 171 N SER A 35 -1.332 11.511 0.189 1.00 0.00 N ATOM 172 CA SER A 35 -2.630 10.985 0.574 1.00 0.00 C ATOM 173 C SER A 35 -2.687 9.481 0.304 1.00 0.00 C ATOM 174 O SER A 35 -2.580 9.048 -0.843 1.00 0.00 O ATOM 175 CB SER A 35 -3.758 11.701 -0.172 1.00 0.00 C ATOM 176 OG SER A 35 -4.968 10.949 -0.160 1.00 0.00 O ATOM 0 H SER A 35 -0.910 11.055 -0.620 1.00 0.00 H new ATOM 0 HA SER A 35 -2.767 11.161 1.641 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.932 12.676 0.284 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.453 11.881 -1.203 1.00 0.00 H new ATOM 0 HG SER A 35 -5.663 11.441 -0.645 1.00 0.00 H new ATOM 182 N VAL A 36 -2.854 8.724 1.378 1.00 0.00 N ATOM 183 CA VAL A 36 -2.926 7.277 1.271 1.00 0.00 C ATOM 184 C VAL A 36 -4.393 6.844 1.251 1.00 0.00 C ATOM 185 O VAL A 36 -5.250 7.515 1.824 1.00 0.00 O ATOM 186 CB VAL A 36 -2.126 6.628 2.403 1.00 0.00 C ATOM 187 CG1 VAL A 36 -2.688 7.026 3.769 1.00 0.00 C ATOM 188 CG2 VAL A 36 -2.090 5.107 2.246 1.00 0.00 C ATOM 0 H VAL A 36 -2.942 9.086 2.328 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.475 6.940 0.338 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.101 6.995 2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.102 6.551 4.556 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.637 8.109 3.882 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.726 6.701 3.844 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.516 4.670 3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.107 4.715 2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.622 4.850 1.296 1.00 0.00 H new ATOM 198 N GLU A 37 -4.637 5.724 0.586 1.00 0.00 N ATOM 199 CA GLU A 37 -5.986 5.194 0.484 1.00 0.00 C ATOM 200 C GLU A 37 -6.252 4.198 1.615 1.00 0.00 C ATOM 201 O GLU A 37 -5.348 3.479 2.038 1.00 0.00 O ATOM 202 CB GLU A 37 -6.218 4.546 -0.883 1.00 0.00 C ATOM 203 CG GLU A 37 -7.513 5.057 -1.519 1.00 0.00 C ATOM 204 CD GLU A 37 -8.207 3.949 -2.314 1.00 0.00 C ATOM 205 OE1 GLU A 37 -8.059 2.778 -1.904 1.00 0.00 O ATOM 206 OE2 GLU A 37 -8.871 4.299 -3.313 1.00 0.00 O ATOM 0 H GLU A 37 -3.924 5.169 0.113 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.689 6.021 0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.376 4.763 -1.540 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.266 3.463 -0.773 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.183 5.427 -0.742 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.292 5.898 -2.176 1.00 0.00 H new ATOM 213 N ILE A 38 -7.495 4.188 2.071 1.00 0.00 N ATOM 214 CA ILE A 38 -7.891 3.292 3.145 1.00 0.00 C ATOM 215 C ILE A 38 -9.416 3.165 3.161 1.00 0.00 C ATOM 216 O ILE A 38 -10.113 3.931 2.498 1.00 0.00 O ATOM 217 CB ILE A 38 -7.299 3.758 4.477 1.00 0.00 C ATOM 218 CG1 ILE A 38 -6.580 5.099 4.318 1.00 0.00 C ATOM 219 CG2 ILE A 38 -6.386 2.686 5.075 1.00 0.00 C ATOM 220 CD1 ILE A 38 -6.326 5.749 5.680 1.00 0.00 C ATOM 0 H ILE A 38 -8.242 4.786 1.717 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.489 2.293 2.976 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.118 3.913 5.180 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.633 4.949 3.800 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.179 5.766 3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.978 3.042 6.021 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.959 1.775 5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.570 2.477 4.384 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.814 6.701 5.539 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -7.277 5.920 6.185 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.706 5.090 6.288 1.00 0.00 H new ATOM 232 N GLU A 39 -9.888 2.192 3.926 1.00 0.00 N ATOM 233 CA GLU A 39 -11.317 1.955 4.038 1.00 0.00 C ATOM 234 C GLU A 39 -12.057 3.273 4.276 1.00 0.00 C ATOM 235 O GLU A 39 -13.240 3.391 3.961 1.00 0.00 O ATOM 236 CB GLU A 39 -11.621 0.947 5.148 1.00 0.00 C ATOM 237 CG GLU A 39 -11.227 1.505 6.517 1.00 0.00 C ATOM 238 CD GLU A 39 -12.043 0.847 7.632 1.00 0.00 C ATOM 239 OE1 GLU A 39 -13.256 0.647 7.406 1.00 0.00 O ATOM 240 OE2 GLU A 39 -11.435 0.559 8.686 1.00 0.00 O ATOM 0 H GLU A 39 -9.306 1.559 4.474 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.669 1.528 3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.683 0.704 5.142 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.081 0.019 4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.164 1.336 6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.385 2.583 6.534 1.00 0.00 H new ATOM 247 N GLY A 40 -11.330 4.231 4.831 1.00 0.00 N ATOM 248 CA GLY A 40 -11.902 5.536 5.115 1.00 0.00 C ATOM 249 C GLY A 40 -10.896 6.651 4.826 1.00 0.00 C ATOM 250 O GLY A 40 -10.528 7.409 5.723 1.00 0.00 O ATOM 0 H GLY A 40 -10.349 4.130 5.092 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.797 5.684 4.511 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.211 5.582 6.159 1.00 0.00 H new ATOM 254 N SER A 41 -10.478 6.717 3.570 1.00 0.00 N ATOM 255 CA SER A 41 -9.521 7.727 3.152 1.00 0.00 C ATOM 256 C SER A 41 -9.829 9.057 3.841 1.00 0.00 C ATOM 257 O SER A 41 -10.961 9.537 3.794 1.00 0.00 O ATOM 258 CB SER A 41 -9.533 7.901 1.632 1.00 0.00 C ATOM 259 OG SER A 41 -8.750 9.016 1.216 1.00 0.00 O ATOM 0 H SER A 41 -10.785 6.087 2.829 1.00 0.00 H new ATOM 0 HA SER A 41 -8.525 7.396 3.445 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.153 6.995 1.160 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.560 8.031 1.290 1.00 0.00 H new ATOM 0 HG SER A 41 -8.782 9.092 0.239 1.00 0.00 H new ATOM 265 N ARG A 42 -8.802 9.616 4.465 1.00 0.00 N ATOM 266 CA ARG A 42 -8.950 10.882 5.162 1.00 0.00 C ATOM 267 C ARG A 42 -7.614 11.309 5.774 1.00 0.00 C ATOM 268 O ARG A 42 -7.554 11.679 6.946 1.00 0.00 O ATOM 269 CB ARG A 42 -10.001 10.782 6.269 1.00 0.00 C ATOM 270 CG ARG A 42 -10.660 12.139 6.525 1.00 0.00 C ATOM 271 CD ARG A 42 -12.185 12.017 6.527 1.00 0.00 C ATOM 272 NE ARG A 42 -12.734 12.513 5.245 1.00 0.00 N ATOM 273 CZ ARG A 42 -14.031 12.459 4.912 1.00 0.00 C ATOM 274 NH1 ARG A 42 -14.919 11.930 5.764 1.00 0.00 N ATOM 275 NH2 ARG A 42 -14.438 12.933 3.727 1.00 0.00 N ATOM 0 H ARG A 42 -7.865 9.215 4.502 1.00 0.00 H new ATOM 0 HA ARG A 42 -9.275 11.625 4.434 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.761 10.052 5.989 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.535 10.421 7.186 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.322 12.536 7.482 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.349 12.848 5.758 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.475 10.977 6.678 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.603 12.588 7.356 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.084 12.921 4.573 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.608 11.569 6.666 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.906 11.889 5.511 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.761 13.335 3.079 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.425 12.892 3.473 1.00 0.00 H new ATOM 289 N HIS A 43 -6.576 11.244 4.954 1.00 0.00 N ATOM 290 CA HIS A 43 -5.245 11.619 5.400 1.00 0.00 C ATOM 291 C HIS A 43 -4.821 12.918 4.712 1.00 0.00 C ATOM 292 O HIS A 43 -5.548 13.447 3.873 1.00 0.00 O ATOM 293 CB HIS A 43 -4.253 10.477 5.172 1.00 0.00 C ATOM 294 CG HIS A 43 -3.815 9.782 6.440 1.00 0.00 C ATOM 295 ND1 HIS A 43 -2.603 10.042 7.056 1.00 0.00 N ATOM 296 CD2 HIS A 43 -4.439 8.837 7.200 1.00 0.00 C ATOM 297 CE1 HIS A 43 -2.512 9.281 8.137 1.00 0.00 C ATOM 298 NE2 HIS A 43 -3.651 8.534 8.224 1.00 0.00 N ATOM 0 H HIS A 43 -6.630 10.937 3.983 1.00 0.00 H new ATOM 0 HA HIS A 43 -5.256 11.803 6.474 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.706 9.743 4.505 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -3.373 10.870 4.662 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.410 8.408 7.002 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.682 9.256 8.828 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -3.862 7.855 8.955 1.00 0.00 H new ATOM 306 N ARG A 44 -3.645 13.396 5.094 1.00 0.00 N ATOM 307 CA ARG A 44 -3.115 14.623 4.524 1.00 0.00 C ATOM 308 C ARG A 44 -1.863 15.064 5.285 1.00 0.00 C ATOM 309 O ARG A 44 -1.889 15.198 6.507 1.00 0.00 O ATOM 310 CB ARG A 44 -4.154 15.746 4.572 1.00 0.00 C ATOM 311 CG ARG A 44 -4.311 16.406 3.200 1.00 0.00 C ATOM 312 CD ARG A 44 -5.692 17.048 3.056 1.00 0.00 C ATOM 313 NE ARG A 44 -5.596 18.509 3.269 1.00 0.00 N ATOM 314 CZ ARG A 44 -5.534 19.090 4.475 1.00 0.00 C ATOM 315 NH1 ARG A 44 -5.559 18.338 5.583 1.00 0.00 N ATOM 316 NH2 ARG A 44 -5.448 20.424 4.572 1.00 0.00 N ATOM 0 H ARG A 44 -3.045 12.955 5.791 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.860 14.422 3.483 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.113 15.345 4.899 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.854 16.493 5.307 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.538 17.163 3.066 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.168 15.662 2.416 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.096 16.843 2.065 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.382 16.612 3.778 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.576 19.112 2.446 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.625 17.323 5.509 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.512 18.780 6.501 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.430 20.997 3.728 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.401 20.867 5.490 1.00 0.00 H new ATOM 330 N ALA A 45 -0.795 15.277 4.530 1.00 0.00 N ATOM 331 CA ALA A 45 0.465 15.699 5.117 1.00 0.00 C ATOM 332 C ALA A 45 1.463 16.013 4.001 1.00 0.00 C ATOM 333 O ALA A 45 1.197 15.743 2.831 1.00 0.00 O ATOM 334 CB ALA A 45 0.975 14.614 6.067 1.00 0.00 C ATOM 0 H ALA A 45 -0.777 15.165 3.516 1.00 0.00 H new ATOM 0 HA ALA A 45 0.330 16.608 5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.920 14.931 6.507 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.243 14.450 6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.125 13.687 5.514 1.00 0.00 H new ATOM 340 N PRO A 46 2.622 16.594 4.413 1.00 0.00 N ATOM 341 CA PRO A 46 3.661 16.948 3.462 1.00 0.00 C ATOM 342 C PRO A 46 4.414 15.704 2.985 1.00 0.00 C ATOM 343 O PRO A 46 4.702 14.807 3.775 1.00 0.00 O ATOM 344 CB PRO A 46 4.551 17.935 4.200 1.00 0.00 C ATOM 345 CG PRO A 46 4.250 17.743 5.677 1.00 0.00 C ATOM 346 CD PRO A 46 2.972 16.929 5.791 1.00 0.00 C ATOM 0 HA PRO A 46 3.263 17.396 2.551 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.603 17.746 3.988 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.342 18.958 3.888 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.075 17.229 6.171 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.133 18.708 6.171 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.126 16.031 6.390 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.179 17.501 6.273 1.00 0.00 H new ATOM 354 N VAL A 47 4.711 15.691 1.693 1.00 0.00 N ATOM 355 CA VAL A 47 5.425 14.572 1.102 1.00 0.00 C ATOM 356 C VAL A 47 6.902 14.649 1.495 1.00 0.00 C ATOM 357 O VAL A 47 7.591 13.631 1.536 1.00 0.00 O ATOM 358 CB VAL A 47 5.210 14.556 -0.413 1.00 0.00 C ATOM 359 CG1 VAL A 47 5.994 13.416 -1.066 1.00 0.00 C ATOM 360 CG2 VAL A 47 3.722 14.465 -0.755 1.00 0.00 C ATOM 0 H VAL A 47 4.470 16.437 1.040 1.00 0.00 H new ATOM 0 HA VAL A 47 5.036 13.627 1.483 1.00 0.00 H new ATOM 0 HB VAL A 47 5.589 15.496 -0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.824 13.427 -2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.058 13.544 -0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.660 12.463 -0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.597 14.455 -1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.307 13.549 -0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.199 15.326 -0.337 1.00 0.00 H new ATOM 370 N ASP A 48 7.344 15.866 1.775 1.00 0.00 N ATOM 371 CA ASP A 48 8.726 16.089 2.164 1.00 0.00 C ATOM 372 C ASP A 48 8.925 15.628 3.609 1.00 0.00 C ATOM 373 O ASP A 48 10.038 15.674 4.131 1.00 0.00 O ATOM 374 CB ASP A 48 9.086 17.574 2.089 1.00 0.00 C ATOM 375 CG ASP A 48 8.297 18.481 3.036 1.00 0.00 C ATOM 376 OD1 ASP A 48 7.840 19.541 2.557 1.00 0.00 O ATOM 377 OD2 ASP A 48 8.169 18.092 4.217 1.00 0.00 O ATOM 0 H ASP A 48 6.769 16.708 1.740 1.00 0.00 H new ATOM 0 HA ASP A 48 9.363 15.528 1.481 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.149 17.686 2.305 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.930 17.919 1.067 1.00 0.00 H new ATOM 382 N SER A 49 7.830 15.193 4.215 1.00 0.00 N ATOM 383 CA SER A 49 7.871 14.723 5.589 1.00 0.00 C ATOM 384 C SER A 49 7.496 13.241 5.647 1.00 0.00 C ATOM 385 O SER A 49 6.817 12.804 6.575 1.00 0.00 O ATOM 386 CB SER A 49 6.934 15.542 6.479 1.00 0.00 C ATOM 387 OG SER A 49 7.268 16.927 6.473 1.00 0.00 O ATOM 0 H SER A 49 6.909 15.156 3.779 1.00 0.00 H new ATOM 0 HA SER A 49 8.887 14.849 5.963 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.907 15.415 6.137 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.980 15.162 7.500 1.00 0.00 H new ATOM 0 HG SER A 49 7.424 17.222 5.552 1.00 0.00 H new ATOM 393 N LEU A 50 7.955 12.508 4.643 1.00 0.00 N ATOM 394 CA LEU A 50 7.676 11.083 4.567 1.00 0.00 C ATOM 395 C LEU A 50 8.926 10.301 4.975 1.00 0.00 C ATOM 396 O LEU A 50 10.002 10.878 5.127 1.00 0.00 O ATOM 397 CB LEU A 50 7.145 10.714 3.181 1.00 0.00 C ATOM 398 CG LEU A 50 5.729 11.194 2.856 1.00 0.00 C ATOM 399 CD1 LEU A 50 5.475 11.169 1.347 1.00 0.00 C ATOM 400 CD2 LEU A 50 4.685 10.384 3.626 1.00 0.00 C ATOM 0 H LEU A 50 8.518 12.874 3.875 1.00 0.00 H new ATOM 0 HA LEU A 50 6.886 10.811 5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.826 11.120 2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.172 9.629 3.080 1.00 0.00 H new ATOM 0 HG LEU A 50 5.636 12.230 3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.462 11.515 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.189 11.823 0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.593 10.151 0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.687 10.746 3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.768 9.332 3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.855 10.496 4.697 1.00 0.00 H new ATOM 412 N ARG A 51 8.743 9.000 5.142 1.00 0.00 N ATOM 413 CA ARG A 51 9.842 8.133 5.529 1.00 0.00 C ATOM 414 C ARG A 51 9.502 6.673 5.220 1.00 0.00 C ATOM 415 O ARG A 51 8.379 6.231 5.456 1.00 0.00 O ATOM 416 CB ARG A 51 10.154 8.272 7.021 1.00 0.00 C ATOM 417 CG ARG A 51 11.536 8.891 7.237 1.00 0.00 C ATOM 418 CD ARG A 51 12.643 7.926 6.807 1.00 0.00 C ATOM 419 NE ARG A 51 13.223 7.260 7.994 1.00 0.00 N ATOM 420 CZ ARG A 51 12.788 6.093 8.488 1.00 0.00 C ATOM 421 NH1 ARG A 51 11.766 5.456 7.900 1.00 0.00 N ATOM 422 NH2 ARG A 51 13.375 5.563 9.570 1.00 0.00 N ATOM 0 H ARG A 51 7.849 8.525 5.016 1.00 0.00 H new ATOM 0 HA ARG A 51 10.719 8.434 4.956 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.395 8.892 7.499 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.112 7.293 7.498 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.616 9.818 6.669 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.662 9.149 8.288 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.241 7.180 6.122 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.420 8.468 6.268 1.00 0.00 H new ATOM 0 HE ARG A 51 14.003 7.718 8.466 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.319 5.860 7.077 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.435 4.568 8.276 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.153 6.048 10.017 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.044 4.675 9.946 1.00 0.00 H new ATOM 436 N ILE A 52 10.493 5.966 4.698 1.00 0.00 N ATOM 437 CA ILE A 52 10.312 4.566 4.354 1.00 0.00 C ATOM 438 C ILE A 52 11.000 3.694 5.407 1.00 0.00 C ATOM 439 O ILE A 52 12.086 4.025 5.879 1.00 0.00 O ATOM 440 CB ILE A 52 10.792 4.298 2.926 1.00 0.00 C ATOM 441 CG1 ILE A 52 9.970 5.098 1.913 1.00 0.00 C ATOM 442 CG2 ILE A 52 10.784 2.800 2.616 1.00 0.00 C ATOM 443 CD1 ILE A 52 9.958 4.406 0.548 1.00 0.00 C ATOM 0 H ILE A 52 11.424 6.336 4.505 1.00 0.00 H new ATOM 0 HA ILE A 52 9.254 4.305 4.364 1.00 0.00 H new ATOM 0 HB ILE A 52 11.825 4.637 2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.949 5.211 2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.386 6.101 1.813 1.00 0.00 H new ATOM 0 HG21 ILE A 52 11.129 2.638 1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.446 2.281 3.310 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.771 2.412 2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.367 4.995 -0.153 1.00 0.00 H new ATOM 0 HD12 ILE A 52 10.979 4.316 0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.520 3.413 0.647 1.00 0.00 H new ATOM 455 N GLY A 53 10.338 2.597 5.744 1.00 0.00 N ATOM 456 CA GLY A 53 10.871 1.675 6.732 1.00 0.00 C ATOM 457 C GLY A 53 10.643 0.223 6.308 1.00 0.00 C ATOM 458 O GLY A 53 10.010 -0.036 5.285 1.00 0.00 O ATOM 0 H GLY A 53 9.437 2.326 5.350 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.938 1.855 6.864 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.395 1.855 7.696 1.00 0.00 H new ATOM 462 N THR A 54 11.170 -0.686 7.115 1.00 0.00 N ATOM 463 CA THR A 54 11.031 -2.105 6.835 1.00 0.00 C ATOM 464 C THR A 54 10.533 -2.847 8.077 1.00 0.00 C ATOM 465 O THR A 54 10.912 -2.512 9.199 1.00 0.00 O ATOM 466 CB THR A 54 12.377 -2.619 6.320 1.00 0.00 C ATOM 467 OG1 THR A 54 12.512 -2.012 5.038 1.00 0.00 O ATOM 468 CG2 THR A 54 12.355 -4.120 6.021 1.00 0.00 C ATOM 0 H THR A 54 11.694 -0.468 7.963 1.00 0.00 H new ATOM 0 HA THR A 54 10.281 -2.285 6.065 1.00 0.00 H new ATOM 0 HB THR A 54 13.153 -2.407 7.056 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.129 -2.540 4.490 1.00 0.00 H new ATOM 0 HG21 THR A 54 13.334 -4.433 5.659 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.112 -4.669 6.931 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.603 -4.328 5.260 1.00 0.00 H new ATOM 476 N ASP A 55 9.691 -3.841 7.836 1.00 0.00 N ATOM 477 CA ASP A 55 9.137 -4.633 8.921 1.00 0.00 C ATOM 478 C ASP A 55 9.820 -6.001 8.948 1.00 0.00 C ATOM 479 O ASP A 55 9.532 -6.859 8.114 1.00 0.00 O ATOM 480 CB ASP A 55 7.635 -4.857 8.728 1.00 0.00 C ATOM 481 CG ASP A 55 6.781 -4.619 9.974 1.00 0.00 C ATOM 482 OD1 ASP A 55 5.647 -5.146 9.994 1.00 0.00 O ATOM 483 OD2 ASP A 55 7.280 -3.916 10.879 1.00 0.00 O ATOM 0 H ASP A 55 9.379 -4.116 6.905 1.00 0.00 H new ATOM 0 HA ASP A 55 9.304 -4.093 9.853 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.284 -4.198 7.934 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.476 -5.880 8.387 1.00 0.00 H new ATOM 488 N ALA A 56 10.711 -6.163 9.914 1.00 0.00 N ATOM 489 CA ALA A 56 11.438 -7.413 10.061 1.00 0.00 C ATOM 490 C ALA A 56 10.449 -8.539 10.372 1.00 0.00 C ATOM 491 O ALA A 56 10.799 -9.716 10.294 1.00 0.00 O ATOM 492 CB ALA A 56 12.506 -7.259 11.145 1.00 0.00 C ATOM 0 H ALA A 56 10.947 -5.449 10.603 1.00 0.00 H new ATOM 0 HA ALA A 56 11.950 -7.670 9.134 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.051 -8.197 11.255 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.200 -6.467 10.862 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.030 -7.003 12.091 1.00 0.00 H new ATOM 498 N GLU A 57 9.234 -8.138 10.716 1.00 0.00 N ATOM 499 CA GLU A 57 8.193 -9.099 11.039 1.00 0.00 C ATOM 500 C GLU A 57 7.934 -10.022 9.846 1.00 0.00 C ATOM 501 O GLU A 57 7.736 -11.223 10.019 1.00 0.00 O ATOM 502 CB GLU A 57 6.909 -8.390 11.473 1.00 0.00 C ATOM 503 CG GLU A 57 7.189 -7.380 12.587 1.00 0.00 C ATOM 504 CD GLU A 57 6.371 -7.704 13.839 1.00 0.00 C ATOM 505 OE1 GLU A 57 6.912 -8.435 14.697 1.00 0.00 O ATOM 506 OE2 GLU A 57 5.224 -7.213 13.910 1.00 0.00 O ATOM 0 H GLU A 57 8.947 -7.161 10.778 1.00 0.00 H new ATOM 0 HA GLU A 57 8.534 -9.708 11.877 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.465 -7.880 10.618 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.182 -9.125 11.818 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.251 -7.387 12.830 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.948 -6.375 12.241 1.00 0.00 H new ATOM 513 N ALA A 58 7.944 -9.425 8.664 1.00 0.00 N ATOM 514 CA ALA A 58 7.713 -10.178 7.443 1.00 0.00 C ATOM 515 C ALA A 58 8.769 -9.794 6.404 1.00 0.00 C ATOM 516 O ALA A 58 8.666 -10.176 5.239 1.00 0.00 O ATOM 517 CB ALA A 58 6.288 -9.923 6.948 1.00 0.00 C ATOM 0 H ALA A 58 8.109 -8.428 8.525 1.00 0.00 H new ATOM 0 HA ALA A 58 7.807 -11.248 7.628 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.114 -10.488 6.032 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.576 -10.240 7.710 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.157 -8.859 6.749 1.00 0.00 H new ATOM 523 N ARG A 59 9.759 -9.043 6.863 1.00 0.00 N ATOM 524 CA ARG A 59 10.832 -8.603 5.988 1.00 0.00 C ATOM 525 C ARG A 59 10.259 -7.880 4.767 1.00 0.00 C ATOM 526 O ARG A 59 10.593 -8.212 3.631 1.00 0.00 O ATOM 527 CB ARG A 59 11.681 -9.786 5.519 1.00 0.00 C ATOM 528 CG ARG A 59 12.536 -10.335 6.663 1.00 0.00 C ATOM 529 CD ARG A 59 13.091 -11.718 6.318 1.00 0.00 C ATOM 530 NE ARG A 59 14.567 -11.714 6.427 1.00 0.00 N ATOM 531 CZ ARG A 59 15.391 -11.329 5.444 1.00 0.00 C ATOM 532 NH1 ARG A 59 14.889 -10.916 4.272 1.00 0.00 N ATOM 533 NH2 ARG A 59 16.718 -11.358 5.632 1.00 0.00 N ATOM 0 H ARG A 59 9.841 -8.728 7.830 1.00 0.00 H new ATOM 0 HA ARG A 59 11.463 -7.920 6.556 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.033 -10.573 5.134 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.325 -9.473 4.697 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.359 -9.650 6.868 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.938 -10.396 7.572 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.671 -12.466 6.991 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.794 -11.996 5.307 1.00 0.00 H new ATOM 0 HE ARG A 59 14.983 -12.024 7.306 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.879 -10.895 4.129 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.517 -10.623 3.523 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.100 -11.673 6.524 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.346 -11.065 4.883 1.00 0.00 H new ATOM 547 N LEU A 60 9.405 -6.905 5.043 1.00 0.00 N ATOM 548 CA LEU A 60 8.783 -6.132 3.982 1.00 0.00 C ATOM 549 C LEU A 60 8.938 -4.640 4.284 1.00 0.00 C ATOM 550 O LEU A 60 9.166 -4.256 5.430 1.00 0.00 O ATOM 551 CB LEU A 60 7.331 -6.571 3.781 1.00 0.00 C ATOM 552 CG LEU A 60 7.124 -8.015 3.321 1.00 0.00 C ATOM 553 CD1 LEU A 60 5.635 -8.360 3.250 1.00 0.00 C ATOM 554 CD2 LEU A 60 7.837 -8.275 1.993 1.00 0.00 C ATOM 0 H LEU A 60 9.129 -6.633 5.987 1.00 0.00 H new ATOM 0 HA LEU A 60 9.283 -6.318 3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.796 -6.430 4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.870 -5.908 3.049 1.00 0.00 H new ATOM 0 HG LEU A 60 7.572 -8.677 4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.516 -9.392 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.186 -8.240 4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.141 -7.694 2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.674 -9.309 1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.441 -7.605 1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.906 -8.096 2.113 1.00 0.00 H new ATOM 566 N SER A 61 8.809 -3.840 3.236 1.00 0.00 N ATOM 567 CA SER A 61 8.932 -2.399 3.375 1.00 0.00 C ATOM 568 C SER A 61 7.593 -1.798 3.805 1.00 0.00 C ATOM 569 O SER A 61 6.536 -2.258 3.375 1.00 0.00 O ATOM 570 CB SER A 61 9.407 -1.759 2.069 1.00 0.00 C ATOM 571 OG SER A 61 10.583 -2.385 1.564 1.00 0.00 O ATOM 0 H SER A 61 8.621 -4.162 2.287 1.00 0.00 H new ATOM 0 HA SER A 61 9.678 -2.192 4.142 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.614 -1.824 1.324 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.603 -0.700 2.235 1.00 0.00 H new ATOM 0 HG SER A 61 10.853 -1.949 0.729 1.00 0.00 H new ATOM 577 N VAL A 62 7.680 -0.780 4.647 1.00 0.00 N ATOM 578 CA VAL A 62 6.488 -0.111 5.140 1.00 0.00 C ATOM 579 C VAL A 62 6.612 1.393 4.890 1.00 0.00 C ATOM 580 O VAL A 62 7.622 1.857 4.363 1.00 0.00 O ATOM 581 CB VAL A 62 6.266 -0.456 6.614 1.00 0.00 C ATOM 582 CG1 VAL A 62 5.667 -1.856 6.765 1.00 0.00 C ATOM 583 CG2 VAL A 62 7.566 -0.328 7.409 1.00 0.00 C ATOM 0 H VAL A 62 8.558 -0.401 5.001 1.00 0.00 H new ATOM 0 HA VAL A 62 5.606 -0.458 4.602 1.00 0.00 H new ATOM 0 HB VAL A 62 5.552 0.260 7.022 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.519 -2.076 7.822 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.708 -1.899 6.248 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.346 -2.591 6.333 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.380 -0.579 8.453 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.312 -1.009 6.999 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.934 0.696 7.342 1.00 0.00 H new ATOM 593 N LEU A 63 5.571 2.114 5.280 1.00 0.00 N ATOM 594 CA LEU A 63 5.551 3.556 5.106 1.00 0.00 C ATOM 595 C LEU A 63 5.343 4.227 6.465 1.00 0.00 C ATOM 596 O LEU A 63 4.587 3.729 7.298 1.00 0.00 O ATOM 597 CB LEU A 63 4.510 3.954 4.057 1.00 0.00 C ATOM 598 CG LEU A 63 4.216 5.451 3.939 1.00 0.00 C ATOM 599 CD1 LEU A 63 3.374 5.939 5.119 1.00 0.00 C ATOM 600 CD2 LEU A 63 5.510 6.254 3.787 1.00 0.00 C ATOM 0 H LEU A 63 4.735 1.726 5.716 1.00 0.00 H new ATOM 0 HA LEU A 63 6.508 3.907 4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.846 3.592 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.578 3.438 4.285 1.00 0.00 H new ATOM 0 HG LEU A 63 3.628 5.613 3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.179 7.006 5.011 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.428 5.398 5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.914 5.761 6.049 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.273 7.315 3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.144 6.090 4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.036 5.930 2.889 1.00 0.00 H new ATOM 612 N TYR A 64 6.026 5.348 6.646 1.00 0.00 N ATOM 613 CA TYR A 64 5.925 6.092 7.890 1.00 0.00 C ATOM 614 C TYR A 64 5.380 7.501 7.643 1.00 0.00 C ATOM 615 O TYR A 64 5.943 8.259 6.855 1.00 0.00 O ATOM 616 CB TYR A 64 7.351 6.199 8.434 1.00 0.00 C ATOM 617 CG TYR A 64 7.654 5.228 9.578 1.00 0.00 C ATOM 618 CD1 TYR A 64 8.341 4.058 9.326 1.00 0.00 C ATOM 619 CD2 TYR A 64 7.242 5.523 10.861 1.00 0.00 C ATOM 620 CE1 TYR A 64 8.626 3.144 10.402 1.00 0.00 C ATOM 621 CE2 TYR A 64 7.527 4.610 11.937 1.00 0.00 C ATOM 622 CZ TYR A 64 8.205 3.466 11.654 1.00 0.00 C ATOM 623 OH TYR A 64 8.475 2.603 12.671 1.00 0.00 O ATOM 0 H TYR A 64 6.651 5.759 5.952 1.00 0.00 H new ATOM 0 HA TYR A 64 5.249 5.591 8.583 1.00 0.00 H new ATOM 0 HB2 TYR A 64 8.054 6.018 7.621 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.521 7.218 8.781 1.00 0.00 H new ATOM 0 HD1 TYR A 64 8.665 3.828 8.322 1.00 0.00 H new ATOM 0 HD2 TYR A 64 6.705 6.439 11.058 1.00 0.00 H new ATOM 0 HE1 TYR A 64 9.162 2.224 10.219 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.210 4.829 12.946 1.00 0.00 H new ATOM 0 HH TYR A 64 8.116 2.963 13.509 1.00 0.00 H new ATOM 633 N ILE A 65 4.290 7.808 8.331 1.00 0.00 N ATOM 634 CA ILE A 65 3.663 9.111 8.197 1.00 0.00 C ATOM 635 C ILE A 65 3.005 9.495 9.524 1.00 0.00 C ATOM 636 O ILE A 65 1.994 8.910 9.911 1.00 0.00 O ATOM 637 CB ILE A 65 2.701 9.123 7.007 1.00 0.00 C ATOM 638 CG1 ILE A 65 2.064 10.503 6.830 1.00 0.00 C ATOM 639 CG2 ILE A 65 1.650 8.019 7.141 1.00 0.00 C ATOM 640 CD1 ILE A 65 1.296 10.587 5.510 1.00 0.00 C ATOM 0 H ILE A 65 3.825 7.176 8.983 1.00 0.00 H new ATOM 0 HA ILE A 65 4.411 9.873 7.980 1.00 0.00 H new ATOM 0 HB ILE A 65 3.273 8.915 6.103 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.389 10.705 7.661 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.838 11.270 6.854 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.979 8.049 6.283 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.145 7.049 7.181 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.077 8.172 8.055 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.853 11.578 5.409 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.979 10.409 4.680 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.508 9.834 5.499 1.00 0.00 H new ATOM 652 N ASP A 66 3.604 10.475 10.183 1.00 0.00 N ATOM 653 CA ASP A 66 3.088 10.944 11.458 1.00 0.00 C ATOM 654 C ASP A 66 3.538 9.990 12.567 1.00 0.00 C ATOM 655 O ASP A 66 2.976 9.996 13.661 1.00 0.00 O ATOM 656 CB ASP A 66 1.558 10.978 11.455 1.00 0.00 C ATOM 657 CG ASP A 66 0.935 12.102 12.284 1.00 0.00 C ATOM 658 OD1 ASP A 66 1.718 12.842 12.918 1.00 0.00 O ATOM 659 OD2 ASP A 66 -0.312 12.197 12.264 1.00 0.00 O ATOM 0 H ASP A 66 4.442 10.958 9.858 1.00 0.00 H new ATOM 0 HA ASP A 66 3.470 11.951 11.627 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.214 11.073 10.425 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.188 10.023 11.828 1.00 0.00 H new ATOM 664 N GLY A 67 4.547 9.194 12.245 1.00 0.00 N ATOM 665 CA GLY A 67 5.078 8.237 13.200 1.00 0.00 C ATOM 666 C GLY A 67 4.231 6.963 13.229 1.00 0.00 C ATOM 667 O GLY A 67 4.073 6.341 14.279 1.00 0.00 O ATOM 0 H GLY A 67 5.011 9.192 11.336 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.106 7.988 12.937 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.102 8.685 14.194 1.00 0.00 H new ATOM 671 N LYS A 68 3.707 6.612 12.064 1.00 0.00 N ATOM 672 CA LYS A 68 2.880 5.424 11.942 1.00 0.00 C ATOM 673 C LYS A 68 3.644 4.353 11.162 1.00 0.00 C ATOM 674 O LYS A 68 4.714 4.621 10.618 1.00 0.00 O ATOM 675 CB LYS A 68 1.521 5.777 11.333 1.00 0.00 C ATOM 676 CG LYS A 68 1.612 5.869 9.808 1.00 0.00 C ATOM 677 CD LYS A 68 0.736 4.806 9.141 1.00 0.00 C ATOM 678 CE LYS A 68 -0.708 4.895 9.638 1.00 0.00 C ATOM 679 NZ LYS A 68 -1.137 3.603 10.219 1.00 0.00 N ATOM 0 H LYS A 68 3.839 7.130 11.195 1.00 0.00 H new ATOM 0 HA LYS A 68 2.664 5.008 12.926 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.786 5.022 11.612 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.172 6.727 11.738 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.299 6.861 9.481 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.648 5.741 9.494 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.761 4.936 8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.137 3.815 9.352 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.793 5.683 10.386 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.367 5.166 8.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.088 3.705 10.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.156 2.877 9.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.469 3.318 10.964 1.00 0.00 H new ATOM 693 N ARG A 69 3.066 3.161 11.133 1.00 0.00 N ATOM 694 CA ARG A 69 3.679 2.049 10.428 1.00 0.00 C ATOM 695 C ARG A 69 2.605 1.176 9.776 1.00 0.00 C ATOM 696 O ARG A 69 1.877 0.463 10.465 1.00 0.00 O ATOM 697 CB ARG A 69 4.517 1.190 11.378 1.00 0.00 C ATOM 698 CG ARG A 69 5.620 0.450 10.620 1.00 0.00 C ATOM 699 CD ARG A 69 5.081 -0.832 9.980 1.00 0.00 C ATOM 700 NE ARG A 69 5.448 -2.003 10.806 1.00 0.00 N ATOM 701 CZ ARG A 69 4.648 -2.549 11.733 1.00 0.00 C ATOM 702 NH1 ARG A 69 3.433 -2.032 11.958 1.00 0.00 N ATOM 703 NH2 ARG A 69 5.065 -3.611 12.436 1.00 0.00 N ATOM 0 H ARG A 69 2.179 2.941 11.587 1.00 0.00 H new ATOM 0 HA ARG A 69 4.331 2.463 9.659 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.961 1.821 12.148 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.874 0.471 11.886 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.035 1.099 9.849 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.434 0.206 11.302 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.997 -0.771 9.882 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.486 -0.944 8.974 1.00 0.00 H new ATOM 0 HE ARG A 69 6.367 -2.421 10.661 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.116 -1.223 11.424 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.825 -2.448 12.663 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.991 -4.004 12.266 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.457 -4.027 13.141 1.00 0.00 H new ATOM 717 N LEU A 70 2.540 1.261 8.456 1.00 0.00 N ATOM 718 CA LEU A 70 1.567 0.488 7.703 1.00 0.00 C ATOM 719 C LEU A 70 2.274 -0.232 6.552 1.00 0.00 C ATOM 720 O LEU A 70 3.450 0.016 6.289 1.00 0.00 O ATOM 721 CB LEU A 70 0.408 1.379 7.252 1.00 0.00 C ATOM 722 CG LEU A 70 0.573 2.055 5.889 1.00 0.00 C ATOM 723 CD1 LEU A 70 -0.557 1.655 4.938 1.00 0.00 C ATOM 724 CD2 LEU A 70 0.685 3.573 6.039 1.00 0.00 C ATOM 0 H LEU A 70 3.146 1.854 7.888 1.00 0.00 H new ATOM 0 HA LEU A 70 1.121 -0.281 8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.500 0.776 7.229 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.257 2.154 8.004 1.00 0.00 H new ATOM 0 HG LEU A 70 1.506 1.706 5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.416 2.149 3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.547 0.574 4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.514 1.956 5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.801 4.028 5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.217 3.959 6.513 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.551 3.815 6.655 1.00 0.00 H new ATOM 736 N HIS A 71 1.527 -1.108 5.897 1.00 0.00 N ATOM 737 CA HIS A 71 2.067 -1.866 4.781 1.00 0.00 C ATOM 738 C HIS A 71 1.614 -1.232 3.464 1.00 0.00 C ATOM 739 O HIS A 71 0.418 -1.072 3.228 1.00 0.00 O ATOM 740 CB HIS A 71 1.685 -3.343 4.891 1.00 0.00 C ATOM 741 CG HIS A 71 0.198 -3.586 4.998 1.00 0.00 C ATOM 742 ND1 HIS A 71 -0.493 -3.488 6.193 1.00 0.00 N ATOM 743 CD2 HIS A 71 -0.720 -3.924 4.048 1.00 0.00 C ATOM 744 CE1 HIS A 71 -1.769 -3.757 5.961 1.00 0.00 C ATOM 745 NE2 HIS A 71 -1.908 -4.027 4.631 1.00 0.00 N ATOM 0 H HIS A 71 0.552 -1.310 6.118 1.00 0.00 H new ATOM 0 HA HIS A 71 3.156 -1.831 4.806 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.068 -3.873 4.019 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.177 -3.771 5.765 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.515 -4.081 2.999 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -2.560 -3.762 6.696 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -2.781 -4.268 4.162 1.00 0.00 H new ATOM 753 N ILE A 72 2.594 -0.890 2.641 1.00 0.00 N ATOM 754 CA ILE A 72 2.311 -0.278 1.354 1.00 0.00 C ATOM 755 C ILE A 72 2.937 -1.124 0.243 1.00 0.00 C ATOM 756 O ILE A 72 3.780 -1.979 0.510 1.00 0.00 O ATOM 757 CB ILE A 72 2.765 1.183 1.344 1.00 0.00 C ATOM 758 CG1 ILE A 72 4.279 1.286 1.149 1.00 0.00 C ATOM 759 CG2 ILE A 72 2.300 1.910 2.607 1.00 0.00 C ATOM 760 CD1 ILE A 72 4.676 2.680 0.659 1.00 0.00 C ATOM 0 H ILE A 72 3.585 -1.025 2.840 1.00 0.00 H new ATOM 0 HA ILE A 72 1.237 -0.255 1.171 1.00 0.00 H new ATOM 0 HB ILE A 72 2.296 1.680 0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.786 1.069 2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.608 0.536 0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.636 2.946 2.575 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.212 1.883 2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.721 1.420 3.485 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.757 2.726 0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.187 2.884 -0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.367 3.425 1.392 1.00 0.00 H new ATOM 772 N SER A 73 2.500 -0.855 -0.978 1.00 0.00 N ATOM 773 CA SER A 73 3.007 -1.581 -2.131 1.00 0.00 C ATOM 774 C SER A 73 4.501 -1.302 -2.309 1.00 0.00 C ATOM 775 O SER A 73 4.971 -0.204 -2.014 1.00 0.00 O ATOM 776 CB SER A 73 2.241 -1.204 -3.400 1.00 0.00 C ATOM 777 OG SER A 73 3.117 -0.823 -4.458 1.00 0.00 O ATOM 0 H SER A 73 1.801 -0.145 -1.195 1.00 0.00 H new ATOM 0 HA SER A 73 2.861 -2.647 -1.955 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.631 -2.049 -3.720 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.558 -0.383 -3.181 1.00 0.00 H new ATOM 0 HG SER A 73 2.590 -0.591 -5.251 1.00 0.00 H new ATOM 783 N GLU A 74 5.206 -2.315 -2.791 1.00 0.00 N ATOM 784 CA GLU A 74 6.637 -2.192 -3.013 1.00 0.00 C ATOM 785 C GLU A 74 6.920 -1.134 -4.080 1.00 0.00 C ATOM 786 O GLU A 74 7.777 -0.271 -3.893 1.00 0.00 O ATOM 787 CB GLU A 74 7.249 -3.540 -3.401 1.00 0.00 C ATOM 788 CG GLU A 74 6.940 -3.883 -4.860 1.00 0.00 C ATOM 789 CD GLU A 74 7.444 -5.284 -5.212 1.00 0.00 C ATOM 790 OE1 GLU A 74 6.592 -6.114 -5.595 1.00 0.00 O ATOM 791 OE2 GLU A 74 8.671 -5.492 -5.091 1.00 0.00 O ATOM 0 H GLU A 74 4.813 -3.224 -3.034 1.00 0.00 H new ATOM 0 HA GLU A 74 7.103 -1.873 -2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.328 -3.510 -3.252 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.859 -4.322 -2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.865 -3.826 -5.031 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.407 -3.149 -5.517 1.00 0.00 H new ATOM 798 N GLU A 75 6.184 -1.234 -5.177 1.00 0.00 N ATOM 799 CA GLU A 75 6.345 -0.295 -6.275 1.00 0.00 C ATOM 800 C GLU A 75 5.959 1.116 -5.828 1.00 0.00 C ATOM 801 O GLU A 75 6.594 2.092 -6.225 1.00 0.00 O ATOM 802 CB GLU A 75 5.525 -0.728 -7.492 1.00 0.00 C ATOM 803 CG GLU A 75 5.797 0.184 -8.689 1.00 0.00 C ATOM 804 CD GLU A 75 5.807 -0.614 -9.995 1.00 0.00 C ATOM 805 OE1 GLU A 75 4.698 -0.860 -10.518 1.00 0.00 O ATOM 806 OE2 GLU A 75 6.922 -0.959 -10.441 1.00 0.00 O ATOM 0 H GLU A 75 5.475 -1.951 -5.329 1.00 0.00 H new ATOM 0 HA GLU A 75 7.394 -0.287 -6.569 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.770 -1.758 -7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.463 -0.705 -7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.034 0.961 -8.739 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.756 0.686 -8.558 1.00 0.00 H new ATOM 813 N ASP A 76 4.921 1.179 -5.008 1.00 0.00 N ATOM 814 CA ASP A 76 4.442 2.455 -4.502 1.00 0.00 C ATOM 815 C ASP A 76 5.474 3.033 -3.531 1.00 0.00 C ATOM 816 O ASP A 76 5.743 4.233 -3.548 1.00 0.00 O ATOM 817 CB ASP A 76 3.123 2.288 -3.746 1.00 0.00 C ATOM 818 CG ASP A 76 1.933 3.038 -4.348 1.00 0.00 C ATOM 819 OD1 ASP A 76 0.792 2.612 -4.067 1.00 0.00 O ATOM 820 OD2 ASP A 76 2.191 4.021 -5.076 1.00 0.00 O ATOM 0 H ASP A 76 4.398 0.367 -4.681 1.00 0.00 H new ATOM 0 HA ASP A 76 4.288 3.119 -5.353 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.879 1.227 -3.701 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.265 2.626 -2.719 1.00 0.00 H new ATOM 825 N ALA A 77 6.024 2.152 -2.708 1.00 0.00 N ATOM 826 CA ALA A 77 7.020 2.560 -1.732 1.00 0.00 C ATOM 827 C ALA A 77 8.186 3.239 -2.453 1.00 0.00 C ATOM 828 O ALA A 77 8.780 4.180 -1.930 1.00 0.00 O ATOM 829 CB ALA A 77 7.466 1.343 -0.919 1.00 0.00 C ATOM 0 H ALA A 77 5.799 1.157 -2.697 1.00 0.00 H new ATOM 0 HA ALA A 77 6.599 3.283 -1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.213 1.649 -0.187 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.606 0.915 -0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.897 0.597 -1.587 1.00 0.00 H new ATOM 835 N GLN A 78 8.479 2.735 -3.643 1.00 0.00 N ATOM 836 CA GLN A 78 9.563 3.281 -4.441 1.00 0.00 C ATOM 837 C GLN A 78 9.123 4.583 -5.115 1.00 0.00 C ATOM 838 O GLN A 78 9.909 5.522 -5.232 1.00 0.00 O ATOM 839 CB GLN A 78 10.048 2.265 -5.477 1.00 0.00 C ATOM 840 CG GLN A 78 11.459 2.605 -5.960 1.00 0.00 C ATOM 841 CD GLN A 78 11.413 3.462 -7.227 1.00 0.00 C ATOM 842 OE1 GLN A 78 10.383 3.624 -7.861 1.00 0.00 O ATOM 843 NE2 GLN A 78 12.583 4.000 -7.559 1.00 0.00 N ATOM 0 H GLN A 78 7.984 1.954 -4.074 1.00 0.00 H new ATOM 0 HA GLN A 78 10.399 3.502 -3.778 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.040 1.265 -5.043 1.00 0.00 H new ATOM 0 HB3 GLN A 78 9.363 2.250 -6.325 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.997 3.137 -5.176 1.00 0.00 H new ATOM 0 HG3 GLN A 78 12.011 1.686 -6.158 1.00 0.00 H new ATOM 0 HE21 GLN A 78 13.407 3.824 -6.984 1.00 0.00 H new ATOM 0 HE22 GLN A 78 12.657 4.589 -8.389 1.00 0.00 H new ATOM 852 N ARG A 79 7.868 4.597 -5.540 1.00 0.00 N ATOM 853 CA ARG A 79 7.314 5.768 -6.198 1.00 0.00 C ATOM 854 C ARG A 79 7.178 6.922 -5.203 1.00 0.00 C ATOM 855 O ARG A 79 7.303 8.087 -5.577 1.00 0.00 O ATOM 856 CB ARG A 79 5.943 5.462 -6.804 1.00 0.00 C ATOM 857 CG ARG A 79 5.990 5.535 -8.332 1.00 0.00 C ATOM 858 CD ARG A 79 4.624 5.208 -8.939 1.00 0.00 C ATOM 859 NE ARG A 79 4.673 3.893 -9.617 1.00 0.00 N ATOM 860 CZ ARG A 79 3.591 3.162 -9.916 1.00 0.00 C ATOM 861 NH1 ARG A 79 2.369 3.612 -9.600 1.00 0.00 N ATOM 862 NH2 ARG A 79 3.731 1.980 -10.532 1.00 0.00 N ATOM 0 H ARG A 79 7.219 3.816 -5.441 1.00 0.00 H new ATOM 0 HA ARG A 79 7.997 6.053 -6.998 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.618 4.469 -6.494 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.207 6.171 -6.425 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.300 6.533 -8.643 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.737 4.837 -8.710 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.863 5.196 -8.158 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.338 5.983 -9.650 1.00 0.00 H new ATOM 0 HE ARG A 79 5.587 3.520 -9.872 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.262 4.512 -9.131 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.546 3.055 -9.828 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.661 1.637 -10.773 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.907 1.423 -10.760 1.00 0.00 H new ATOM 876 N LEU A 80 6.925 6.558 -3.954 1.00 0.00 N ATOM 877 CA LEU A 80 6.770 7.548 -2.903 1.00 0.00 C ATOM 878 C LEU A 80 8.086 8.310 -2.728 1.00 0.00 C ATOM 879 O LEU A 80 8.103 9.539 -2.746 1.00 0.00 O ATOM 880 CB LEU A 80 6.265 6.890 -1.617 1.00 0.00 C ATOM 881 CG LEU A 80 4.910 7.379 -1.101 1.00 0.00 C ATOM 882 CD1 LEU A 80 4.465 6.571 0.119 1.00 0.00 C ATOM 883 CD2 LEU A 80 4.942 8.881 -0.814 1.00 0.00 C ATOM 0 H LEU A 80 6.824 5.591 -3.647 1.00 0.00 H new ATOM 0 HA LEU A 80 6.011 8.280 -3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.202 5.815 -1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.008 7.048 -0.835 1.00 0.00 H new ATOM 0 HG LEU A 80 4.168 7.217 -1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.499 6.938 0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.376 5.519 -0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.202 6.679 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.967 9.202 -0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.700 9.091 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.183 9.421 -1.730 1.00 0.00 H new ATOM 895 N VAL A 81 9.157 7.547 -2.564 1.00 0.00 N ATOM 896 CA VAL A 81 10.474 8.134 -2.386 1.00 0.00 C ATOM 897 C VAL A 81 10.772 9.071 -3.559 1.00 0.00 C ATOM 898 O VAL A 81 11.087 10.243 -3.357 1.00 0.00 O ATOM 899 CB VAL A 81 11.521 7.031 -2.222 1.00 0.00 C ATOM 900 CG1 VAL A 81 12.883 7.485 -2.751 1.00 0.00 C ATOM 901 CG2 VAL A 81 11.622 6.584 -0.762 1.00 0.00 C ATOM 0 H VAL A 81 9.139 6.527 -2.551 1.00 0.00 H new ATOM 0 HA VAL A 81 10.506 8.732 -1.475 1.00 0.00 H new ATOM 0 HB VAL A 81 11.200 6.174 -2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.609 6.682 -2.622 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.798 7.732 -3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.213 8.365 -2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.373 5.799 -0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.908 7.433 -0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.657 6.201 -0.431 1.00 0.00 H new ATOM 911 N VAL A 82 10.661 8.520 -4.758 1.00 0.00 N ATOM 912 CA VAL A 82 10.915 9.292 -5.963 1.00 0.00 C ATOM 913 C VAL A 82 10.103 10.588 -5.913 1.00 0.00 C ATOM 914 O VAL A 82 10.557 11.627 -6.390 1.00 0.00 O ATOM 915 CB VAL A 82 10.613 8.445 -7.201 1.00 0.00 C ATOM 916 CG1 VAL A 82 10.550 9.314 -8.458 1.00 0.00 C ATOM 917 CG2 VAL A 82 11.640 7.322 -7.361 1.00 0.00 C ATOM 0 H VAL A 82 10.399 7.548 -4.922 1.00 0.00 H new ATOM 0 HA VAL A 82 11.967 9.569 -6.024 1.00 0.00 H new ATOM 0 HB VAL A 82 9.634 7.986 -7.062 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.334 8.687 -9.323 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.764 10.060 -8.345 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.507 9.815 -8.603 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.402 6.735 -8.248 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.636 7.752 -7.467 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.614 6.678 -6.482 1.00 0.00 H new ATOM 927 N ALA A 83 8.917 10.484 -5.332 1.00 0.00 N ATOM 928 CA ALA A 83 8.038 11.635 -5.213 1.00 0.00 C ATOM 929 C ALA A 83 8.699 12.686 -4.318 1.00 0.00 C ATOM 930 O ALA A 83 8.433 13.879 -4.455 1.00 0.00 O ATOM 931 CB ALA A 83 6.677 11.185 -4.679 1.00 0.00 C ATOM 0 H ALA A 83 8.544 9.620 -4.938 1.00 0.00 H new ATOM 0 HA ALA A 83 7.870 12.092 -6.188 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.018 12.048 -4.590 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.237 10.462 -5.366 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.805 10.723 -3.700 1.00 0.00 H new ATOM 937 N GLY A 84 9.546 12.204 -3.421 1.00 0.00 N ATOM 938 CA GLY A 84 10.247 13.086 -2.503 1.00 0.00 C ATOM 939 C GLY A 84 10.374 12.449 -1.118 1.00 0.00 C ATOM 940 O GLY A 84 11.118 12.939 -0.271 1.00 0.00 O ATOM 0 H GLY A 84 9.763 11.214 -3.310 1.00 0.00 H new ATOM 0 HA2 GLY A 84 11.239 13.311 -2.896 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.713 14.033 -2.424 1.00 0.00 H new ATOM 944 N ALA A 85 9.635 11.364 -0.932 1.00 0.00 N ATOM 945 CA ALA A 85 9.656 10.654 0.336 1.00 0.00 C ATOM 946 C ALA A 85 11.092 10.237 0.659 1.00 0.00 C ATOM 947 O ALA A 85 11.886 9.980 -0.245 1.00 0.00 O ATOM 948 CB ALA A 85 8.704 9.459 0.267 1.00 0.00 C ATOM 0 H ALA A 85 9.019 10.960 -1.637 1.00 0.00 H new ATOM 0 HA ALA A 85 9.311 11.300 1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.719 8.926 1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.692 9.811 0.065 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.021 8.787 -0.531 1.00 0.00 H new ATOM 954 N GLU A 86 11.383 10.184 1.950 1.00 0.00 N ATOM 955 CA GLU A 86 12.710 9.803 2.404 1.00 0.00 C ATOM 956 C GLU A 86 12.963 8.321 2.119 1.00 0.00 C ATOM 957 O GLU A 86 12.035 7.513 2.143 1.00 0.00 O ATOM 958 CB GLU A 86 12.892 10.115 3.890 1.00 0.00 C ATOM 959 CG GLU A 86 14.103 11.022 4.116 1.00 0.00 C ATOM 960 CD GLU A 86 13.918 12.369 3.412 1.00 0.00 C ATOM 961 OE1 GLU A 86 12.901 13.030 3.712 1.00 0.00 O ATOM 962 OE2 GLU A 86 14.797 12.705 2.590 1.00 0.00 O ATOM 0 H GLU A 86 10.722 10.399 2.697 1.00 0.00 H new ATOM 0 HA GLU A 86 13.444 10.390 1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.994 10.598 4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.019 9.187 4.447 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.247 11.183 5.184 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.003 10.533 3.743 1.00 0.00 H new ATOM 969 N ASP A 87 14.223 8.008 1.858 1.00 0.00 N ATOM 970 CA ASP A 87 14.610 6.637 1.569 1.00 0.00 C ATOM 971 C ASP A 87 15.775 6.239 2.477 1.00 0.00 C ATOM 972 O ASP A 87 16.879 6.764 2.342 1.00 0.00 O ATOM 973 CB ASP A 87 15.068 6.488 0.117 1.00 0.00 C ATOM 974 CG ASP A 87 14.683 5.166 -0.550 1.00 0.00 C ATOM 975 OD1 ASP A 87 14.890 5.069 -1.779 1.00 0.00 O ATOM 976 OD2 ASP A 87 14.191 4.282 0.184 1.00 0.00 O ATOM 0 H ASP A 87 14.990 8.680 1.840 1.00 0.00 H new ATOM 0 HA ASP A 87 13.743 5.998 1.740 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.649 7.308 -0.466 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.152 6.593 0.081 1.00 0.00 H new ATOM 981 N GLN A 88 15.490 5.314 3.381 1.00 0.00 N ATOM 982 CA GLN A 88 16.501 4.839 4.311 1.00 0.00 C ATOM 983 C GLN A 88 16.697 3.330 4.157 1.00 0.00 C ATOM 984 O GLN A 88 17.651 2.766 4.690 1.00 0.00 O ATOM 985 CB GLN A 88 16.134 5.200 5.752 1.00 0.00 C ATOM 986 CG GLN A 88 15.561 6.617 5.833 1.00 0.00 C ATOM 987 CD GLN A 88 16.529 7.635 5.225 1.00 0.00 C ATOM 988 OE1 GLN A 88 17.721 7.403 5.107 1.00 0.00 O ATOM 989 NE2 GLN A 88 15.951 8.772 4.849 1.00 0.00 N ATOM 0 H GLN A 88 14.573 4.880 3.490 1.00 0.00 H new ATOM 0 HA GLN A 88 17.443 5.334 4.076 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.405 4.486 6.135 1.00 0.00 H new ATOM 0 HB3 GLN A 88 17.017 5.124 6.386 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.607 6.658 5.307 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.363 6.874 6.874 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.947 8.900 4.977 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.511 9.516 4.433 1.00 0.00 H new ATOM 998 N ARG A 89 15.777 2.718 3.425 1.00 0.00 N ATOM 999 CA ARG A 89 15.837 1.284 3.194 1.00 0.00 C ATOM 1000 C ARG A 89 17.070 0.932 2.360 1.00 0.00 C ATOM 1001 O ARG A 89 17.657 -0.135 2.534 1.00 0.00 O ATOM 1002 CB ARG A 89 14.582 0.790 2.471 1.00 0.00 C ATOM 1003 CG ARG A 89 13.549 0.259 3.466 1.00 0.00 C ATOM 1004 CD ARG A 89 13.352 1.236 4.627 1.00 0.00 C ATOM 1005 NE ARG A 89 14.044 0.733 5.834 1.00 0.00 N ATOM 1006 CZ ARG A 89 14.358 1.493 6.892 1.00 0.00 C ATOM 1007 NH1 ARG A 89 14.044 2.796 6.897 1.00 0.00 N ATOM 1008 NH2 ARG A 89 14.987 0.951 7.944 1.00 0.00 N ATOM 0 H ARG A 89 14.986 3.189 2.984 1.00 0.00 H new ATOM 0 HA ARG A 89 15.900 0.794 4.165 1.00 0.00 H new ATOM 0 HB2 ARG A 89 14.148 1.604 1.891 1.00 0.00 H new ATOM 0 HB3 ARG A 89 14.850 0.004 1.766 1.00 0.00 H new ATOM 0 HG2 ARG A 89 12.599 0.097 2.957 1.00 0.00 H new ATOM 0 HG3 ARG A 89 13.873 -0.708 3.851 1.00 0.00 H new ATOM 0 HD2 ARG A 89 13.741 2.218 4.357 1.00 0.00 H new ATOM 0 HD3 ARG A 89 12.289 1.360 4.832 1.00 0.00 H new ATOM 0 HE ARG A 89 14.298 -0.254 5.863 1.00 0.00 H new ATOM 0 HH11 ARG A 89 13.566 3.209 6.096 1.00 0.00 H new ATOM 0 HH12 ARG A 89 14.283 3.375 7.702 1.00 0.00 H new ATOM 0 HH21 ARG A 89 15.227 -0.040 7.939 1.00 0.00 H new ATOM 0 HH22 ARG A 89 15.226 1.530 8.749 1.00 0.00 H new