USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 475 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 29 GLN : amide:sc= 0.93 K(o=0.93,f=-0.48) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 174:sc= 2.4 (180deg=2.23) USER MOD Single : A 32 CYS SG : rot -158:sc= -5.93! USER MOD Single : A 34 SER OG : rot 180:sc= 0.21 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= 0.381 K(o=0.38,f=-3.6!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 146:sc= 1.18 (180deg=1.03) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0434 X(o=-0.043,f=-0.33) USER MOD Single : A 68 GLN : amide:sc= -0.313 K(o=-0.31,f=-3.6!) USER MOD Single : A 71 MET CE :methyl -176:sc= 0 (180deg=-0.0303) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 161:sc= 0.519 (180deg=-1.3) USER MOD Single : A 92 LYS NZ :NH3+ 165:sc= -0.096 (180deg=-0.475) USER MOD ----------------------------------------------------------------- ATOM 19 N ASP A 23 -12.431 2.976 -2.102 1.00 0.00 N ATOM 20 CA ASP A 23 -12.247 1.592 -2.463 1.00 0.00 C ATOM 21 C ASP A 23 -10.748 1.325 -2.496 1.00 0.00 C ATOM 22 O ASP A 23 -10.037 1.777 -3.393 1.00 0.00 O ATOM 23 CB ASP A 23 -12.956 1.352 -3.803 1.00 0.00 C ATOM 24 CG ASP A 23 -14.409 1.820 -3.758 1.00 0.00 C ATOM 25 OD1 ASP A 23 -14.592 3.044 -3.543 1.00 0.00 O ATOM 26 OD2 ASP A 23 -15.299 0.956 -3.894 1.00 0.00 O ATOM 0 HA ASP A 23 -12.685 0.895 -1.748 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.427 1.880 -4.596 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.922 0.291 -4.049 1.00 0.00 H new ATOM 31 N ALA A 24 -10.268 0.646 -1.459 1.00 0.00 N ATOM 32 CA ALA A 24 -8.856 0.472 -1.186 1.00 0.00 C ATOM 33 C ALA A 24 -8.080 -0.005 -2.409 1.00 0.00 C ATOM 34 O ALA A 24 -7.062 0.583 -2.779 1.00 0.00 O ATOM 35 CB ALA A 24 -8.705 -0.524 -0.053 1.00 0.00 C ATOM 0 H ALA A 24 -10.870 0.192 -0.772 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.439 1.440 -0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.647 -0.668 0.167 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.212 -0.145 0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.148 -1.476 -0.344 1.00 0.00 H new ATOM 41 N GLU A 25 -8.562 -1.071 -3.052 1.00 0.00 N ATOM 42 CA GLU A 25 -7.898 -1.546 -4.247 1.00 0.00 C ATOM 43 C GLU A 25 -7.904 -0.446 -5.306 1.00 0.00 C ATOM 44 O GLU A 25 -6.886 -0.250 -5.943 1.00 0.00 O ATOM 45 CB GLU A 25 -8.464 -2.881 -4.746 1.00 0.00 C ATOM 46 CG GLU A 25 -9.600 -2.727 -5.762 1.00 0.00 C ATOM 47 CD GLU A 25 -10.164 -4.080 -6.174 1.00 0.00 C ATOM 48 OE1 GLU A 25 -10.289 -4.938 -5.273 1.00 0.00 O ATOM 49 OE2 GLU A 25 -10.449 -4.229 -7.380 1.00 0.00 O ATOM 0 H GLU A 25 -9.386 -1.602 -2.769 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.859 -1.768 -4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.659 -3.460 -5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.827 -3.453 -3.892 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.394 -2.116 -5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.233 -2.200 -6.643 1.00 0.00 H new ATOM 56 N ALA A 26 -9.000 0.298 -5.489 1.00 0.00 N ATOM 57 CA ALA A 26 -9.091 1.320 -6.527 1.00 0.00 C ATOM 58 C ALA A 26 -8.021 2.395 -6.340 1.00 0.00 C ATOM 59 O ALA A 26 -7.365 2.774 -7.307 1.00 0.00 O ATOM 60 CB ALA A 26 -10.486 1.943 -6.576 1.00 0.00 C ATOM 0 H ALA A 26 -9.843 0.206 -4.922 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.912 0.830 -7.484 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.519 2.700 -7.360 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.223 1.169 -6.788 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.712 2.405 -5.615 1.00 0.00 H new ATOM 66 N VAL A 27 -7.819 2.855 -5.097 1.00 0.00 N ATOM 67 CA VAL A 27 -6.642 3.649 -4.739 1.00 0.00 C ATOM 68 C VAL A 27 -5.421 2.939 -5.293 1.00 0.00 C ATOM 69 O VAL A 27 -4.753 3.479 -6.168 1.00 0.00 O ATOM 70 CB VAL A 27 -6.552 3.868 -3.213 1.00 0.00 C ATOM 71 CG1 VAL A 27 -5.304 4.674 -2.831 1.00 0.00 C ATOM 72 CG2 VAL A 27 -7.787 4.604 -2.682 1.00 0.00 C ATOM 0 H VAL A 27 -8.461 2.688 -4.322 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.710 4.646 -5.174 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.494 2.877 -2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.274 4.808 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.412 4.138 -3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.338 5.649 -3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.693 4.743 -1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.868 5.577 -3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.680 4.017 -2.896 1.00 0.00 H new ATOM 82 N VAL A 28 -5.107 1.733 -4.830 1.00 0.00 N ATOM 83 CA VAL A 28 -3.797 1.185 -5.121 1.00 0.00 C ATOM 84 C VAL A 28 -3.577 0.954 -6.621 1.00 0.00 C ATOM 85 O VAL A 28 -2.532 1.321 -7.164 1.00 0.00 O ATOM 86 CB VAL A 28 -3.588 -0.022 -4.206 1.00 0.00 C ATOM 87 CG1 VAL A 28 -2.262 -0.733 -4.459 1.00 0.00 C ATOM 88 CG2 VAL A 28 -3.673 0.471 -2.750 1.00 0.00 C ATOM 0 H VAL A 28 -5.720 1.138 -4.272 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.005 1.899 -4.894 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.364 -0.759 -4.414 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.169 -1.581 -3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.230 -1.087 -5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.439 -0.039 -4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.527 -0.370 -2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.899 1.218 -2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.653 0.915 -2.573 1.00 0.00 H new ATOM 98 N GLN A 29 -4.617 0.448 -7.275 1.00 0.00 N ATOM 99 CA GLN A 29 -4.796 0.249 -8.703 1.00 0.00 C ATOM 100 C GLN A 29 -4.723 1.561 -9.504 1.00 0.00 C ATOM 101 O GLN A 29 -4.779 1.519 -10.730 1.00 0.00 O ATOM 102 CB GLN A 29 -6.125 -0.514 -8.913 1.00 0.00 C ATOM 103 CG GLN A 29 -6.062 -1.960 -8.389 1.00 0.00 C ATOM 104 CD GLN A 29 -5.000 -2.793 -9.096 1.00 0.00 C ATOM 105 OE1 GLN A 29 -4.759 -2.629 -10.289 1.00 0.00 O ATOM 106 NE2 GLN A 29 -4.328 -3.670 -8.360 1.00 0.00 N ATOM 0 H GLN A 29 -5.440 0.135 -6.760 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.971 -0.346 -9.094 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.930 0.018 -8.406 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.370 -0.526 -9.975 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.855 -1.946 -7.319 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.036 -2.433 -8.519 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.551 -3.783 -7.371 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.588 -4.230 -8.783 1.00 0.00 H new ATOM 115 N GLN A 30 -4.552 2.717 -8.848 1.00 0.00 N ATOM 116 CA GLN A 30 -4.228 3.982 -9.501 1.00 0.00 C ATOM 117 C GLN A 30 -3.114 4.793 -8.812 1.00 0.00 C ATOM 118 O GLN A 30 -2.649 5.776 -9.387 1.00 0.00 O ATOM 119 CB GLN A 30 -5.516 4.807 -9.655 1.00 0.00 C ATOM 120 CG GLN A 30 -5.713 5.174 -11.132 1.00 0.00 C ATOM 121 CD GLN A 30 -7.028 5.906 -11.372 1.00 0.00 C ATOM 122 OE1 GLN A 30 -7.909 5.410 -12.064 1.00 0.00 O ATOM 123 NE2 GLN A 30 -7.171 7.102 -10.811 1.00 0.00 N ATOM 0 H GLN A 30 -4.637 2.795 -7.835 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.813 3.740 -10.479 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.372 4.237 -9.293 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.456 5.711 -9.049 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.885 5.801 -11.463 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.688 4.267 -11.737 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.421 7.490 -10.240 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.031 7.632 -10.952 1.00 0.00 H new ATOM 132 N LYS A 31 -2.703 4.433 -7.592 1.00 0.00 N ATOM 133 CA LYS A 31 -1.829 5.229 -6.738 1.00 0.00 C ATOM 134 C LYS A 31 -0.523 4.508 -6.389 1.00 0.00 C ATOM 135 O LYS A 31 0.452 5.178 -6.049 1.00 0.00 O ATOM 136 CB LYS A 31 -2.606 5.627 -5.468 1.00 0.00 C ATOM 137 CG LYS A 31 -3.530 6.836 -5.691 1.00 0.00 C ATOM 138 CD LYS A 31 -3.371 7.816 -4.516 1.00 0.00 C ATOM 139 CE LYS A 31 -4.090 9.149 -4.747 1.00 0.00 C ATOM 140 NZ LYS A 31 -4.008 10.000 -3.543 1.00 0.00 N ATOM 0 H LYS A 31 -2.981 3.551 -7.162 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.533 6.123 -7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.200 4.778 -5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.898 5.858 -4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.281 7.331 -6.630 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.566 6.508 -5.769 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.759 7.353 -3.609 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.311 8.006 -4.349 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.643 9.667 -5.596 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.135 8.966 -4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.411 10.936 -3.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.542 9.558 -2.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.013 10.107 -3.260 1.00 0.00 H new ATOM 154 N CYS A 32 -0.492 3.172 -6.436 1.00 0.00 N ATOM 155 CA CYS A 32 0.648 2.388 -5.971 1.00 0.00 C ATOM 156 C CYS A 32 1.204 1.493 -7.078 1.00 0.00 C ATOM 157 O CYS A 32 2.426 1.383 -7.223 1.00 0.00 O ATOM 158 CB CYS A 32 0.246 1.538 -4.767 1.00 0.00 C ATOM 159 SG CYS A 32 -0.938 2.335 -3.630 1.00 0.00 S ATOM 0 H CYS A 32 -1.260 2.607 -6.799 1.00 0.00 H new ATOM 0 HA CYS A 32 1.432 3.085 -5.677 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.189 0.606 -5.127 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.145 1.276 -4.208 1.00 0.00 H new ATOM 0 HG CYS A 32 -0.861 1.774 -2.460 1.00 0.00 H new ATOM 164 N ILE A 33 0.318 0.864 -7.867 1.00 0.00 N ATOM 165 CA ILE A 33 0.728 0.020 -8.988 1.00 0.00 C ATOM 166 C ILE A 33 1.730 0.748 -9.887 1.00 0.00 C ATOM 167 O ILE A 33 2.610 0.120 -10.471 1.00 0.00 O ATOM 168 CB ILE A 33 -0.478 -0.492 -9.795 1.00 0.00 C ATOM 169 CG1 ILE A 33 -1.306 0.632 -10.447 1.00 0.00 C ATOM 170 CG2 ILE A 33 -1.350 -1.410 -8.931 1.00 0.00 C ATOM 171 CD1 ILE A 33 -2.185 0.103 -11.585 1.00 0.00 C ATOM 0 H ILE A 33 -0.692 0.928 -7.743 1.00 0.00 H new ATOM 0 HA ILE A 33 1.225 -0.855 -8.569 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.075 -1.071 -10.626 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.934 1.106 -9.692 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.636 1.401 -10.832 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.198 -1.763 -9.517 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.760 -2.263 -8.596 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.713 -0.857 -8.064 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.753 0.926 -12.019 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.555 -0.347 -12.352 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.873 -0.647 -11.195 1.00 0.00 H new ATOM 183 N SER A 34 1.614 2.077 -9.945 1.00 0.00 N ATOM 184 CA SER A 34 2.534 3.017 -10.546 1.00 0.00 C ATOM 185 C SER A 34 4.005 2.614 -10.380 1.00 0.00 C ATOM 186 O SER A 34 4.777 2.772 -11.321 1.00 0.00 O ATOM 187 CB SER A 34 2.245 4.385 -9.914 1.00 0.00 C ATOM 188 OG SER A 34 0.854 4.486 -9.636 1.00 0.00 O ATOM 0 H SER A 34 0.807 2.550 -9.538 1.00 0.00 H new ATOM 0 HA SER A 34 2.379 3.041 -11.625 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.821 4.504 -8.996 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.552 5.183 -10.589 1.00 0.00 H new ATOM 0 HG SER A 34 0.664 5.358 -9.230 1.00 0.00 H new ATOM 194 N CYS A 35 4.387 2.112 -9.195 1.00 0.00 N ATOM 195 CA CYS A 35 5.731 1.593 -8.938 1.00 0.00 C ATOM 196 C CYS A 35 5.680 0.107 -8.566 1.00 0.00 C ATOM 197 O CYS A 35 6.526 -0.671 -9.001 1.00 0.00 O ATOM 198 CB CYS A 35 6.459 2.426 -7.870 1.00 0.00 C ATOM 199 SG CYS A 35 6.155 4.204 -8.121 1.00 0.00 S ATOM 0 H CYS A 35 3.766 2.056 -8.388 1.00 0.00 H new ATOM 0 HA CYS A 35 6.309 1.681 -9.858 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.119 2.131 -6.877 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.530 2.226 -7.913 1.00 0.00 H new ATOM 0 HG CYS A 35 6.779 4.884 -7.205 1.00 0.00 H new ATOM 204 N HIS A 36 4.698 -0.307 -7.763 1.00 0.00 N ATOM 205 CA HIS A 36 4.624 -1.672 -7.257 1.00 0.00 C ATOM 206 C HIS A 36 4.092 -2.685 -8.282 1.00 0.00 C ATOM 207 O HIS A 36 4.166 -3.887 -8.038 1.00 0.00 O ATOM 208 CB HIS A 36 3.804 -1.677 -5.968 1.00 0.00 C ATOM 209 CG HIS A 36 4.517 -1.054 -4.795 1.00 0.00 C ATOM 210 ND1 HIS A 36 5.434 -1.698 -3.989 1.00 0.00 N ATOM 211 CD2 HIS A 36 4.333 0.211 -4.296 1.00 0.00 C ATOM 212 CE1 HIS A 36 5.779 -0.832 -3.022 1.00 0.00 C ATOM 213 NE2 HIS A 36 5.148 0.344 -3.166 1.00 0.00 N ATOM 0 H HIS A 36 3.936 0.294 -7.448 1.00 0.00 H new ATOM 0 HA HIS A 36 5.640 -2.006 -7.049 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.870 -1.142 -6.140 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.542 -2.705 -5.718 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.783 -2.649 -4.105 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.678 0.967 -4.702 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.477 -1.054 -2.228 1.00 0.00 H new ATOM 221 N GLY A 37 3.590 -2.240 -9.435 1.00 0.00 N ATOM 222 CA GLY A 37 3.110 -3.128 -10.485 1.00 0.00 C ATOM 223 C GLY A 37 1.696 -3.645 -10.199 1.00 0.00 C ATOM 224 O GLY A 37 1.246 -3.651 -9.058 1.00 0.00 O ATOM 0 H GLY A 37 3.506 -1.250 -9.664 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.117 -2.599 -11.438 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.791 -3.973 -10.585 1.00 0.00 H new ATOM 228 N GLY A 38 0.998 -4.071 -11.258 1.00 0.00 N ATOM 229 CA GLY A 38 -0.430 -4.386 -11.285 1.00 0.00 C ATOM 230 C GLY A 38 -0.997 -5.042 -10.019 1.00 0.00 C ATOM 231 O GLY A 38 -1.887 -4.477 -9.390 1.00 0.00 O ATOM 0 H GLY A 38 1.440 -4.212 -12.166 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.982 -3.465 -11.471 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.620 -5.048 -12.130 1.00 0.00 H new ATOM 235 N ASP A 39 -0.519 -6.237 -9.652 1.00 0.00 N ATOM 236 CA ASP A 39 -1.034 -6.992 -8.499 1.00 0.00 C ATOM 237 C ASP A 39 -0.236 -6.699 -7.215 1.00 0.00 C ATOM 238 O ASP A 39 -0.437 -7.341 -6.181 1.00 0.00 O ATOM 239 CB ASP A 39 -1.128 -8.489 -8.828 1.00 0.00 C ATOM 240 CG ASP A 39 -2.301 -9.181 -8.126 1.00 0.00 C ATOM 241 OD1 ASP A 39 -2.578 -8.863 -6.943 1.00 0.00 O ATOM 242 OD2 ASP A 39 -2.912 -10.039 -8.796 1.00 0.00 O ATOM 0 H ASP A 39 0.237 -6.710 -10.146 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.048 -6.651 -8.293 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.232 -8.613 -9.906 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.198 -8.979 -8.539 1.00 0.00 H new ATOM 247 N LEU A 40 0.716 -5.761 -7.296 1.00 0.00 N ATOM 248 CA LEU A 40 1.619 -5.343 -6.231 1.00 0.00 C ATOM 249 C LEU A 40 2.745 -6.360 -6.038 1.00 0.00 C ATOM 250 O LEU A 40 3.324 -6.469 -4.956 1.00 0.00 O ATOM 251 CB LEU A 40 0.879 -4.965 -4.933 1.00 0.00 C ATOM 252 CG LEU A 40 -0.102 -3.779 -5.034 1.00 0.00 C ATOM 253 CD1 LEU A 40 0.619 -2.517 -5.509 1.00 0.00 C ATOM 254 CD2 LEU A 40 -1.332 -4.037 -5.908 1.00 0.00 C ATOM 0 H LEU A 40 0.881 -5.246 -8.161 1.00 0.00 H new ATOM 0 HA LEU A 40 2.097 -4.414 -6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.327 -5.838 -4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.621 -4.732 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.479 -3.640 -4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.092 -1.694 -5.573 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.408 -2.261 -4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.056 -2.696 -6.491 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.963 -3.148 -5.919 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.014 -4.269 -6.924 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.896 -4.878 -5.504 1.00 0.00 H new ATOM 266 N THR A 41 3.081 -7.056 -7.127 1.00 0.00 N ATOM 267 CA THR A 41 4.132 -8.052 -7.244 1.00 0.00 C ATOM 268 C THR A 41 5.531 -7.428 -7.270 1.00 0.00 C ATOM 269 O THR A 41 6.515 -8.154 -7.170 1.00 0.00 O ATOM 270 CB THR A 41 3.853 -8.825 -8.540 1.00 0.00 C ATOM 271 OG1 THR A 41 3.367 -7.924 -9.526 1.00 0.00 O ATOM 272 CG2 THR A 41 2.780 -9.888 -8.293 1.00 0.00 C ATOM 0 H THR A 41 2.586 -6.924 -8.009 1.00 0.00 H new ATOM 0 HA THR A 41 4.123 -8.708 -6.374 1.00 0.00 H new ATOM 0 HB THR A 41 4.776 -9.300 -8.874 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.189 -8.413 -10.356 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.588 -10.432 -9.218 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.126 -10.583 -7.528 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.861 -9.407 -7.957 1.00 0.00 H new ATOM 280 N GLY A 42 5.629 -6.102 -7.406 1.00 0.00 N ATOM 281 CA GLY A 42 6.870 -5.364 -7.275 1.00 0.00 C ATOM 282 C GLY A 42 7.551 -5.167 -8.627 1.00 0.00 C ATOM 283 O GLY A 42 8.197 -6.087 -9.122 1.00 0.00 O ATOM 0 H GLY A 42 4.826 -5.508 -7.614 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.671 -4.393 -6.822 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.542 -5.897 -6.603 1.00 0.00 H new ATOM 287 N ALA A 43 7.406 -3.980 -9.231 1.00 0.00 N ATOM 288 CA ALA A 43 8.070 -3.636 -10.485 1.00 0.00 C ATOM 289 C ALA A 43 9.261 -2.708 -10.216 1.00 0.00 C ATOM 290 O ALA A 43 10.407 -3.145 -10.232 1.00 0.00 O ATOM 291 CB ALA A 43 7.053 -3.038 -11.465 1.00 0.00 C ATOM 0 H ALA A 43 6.822 -3.232 -8.858 1.00 0.00 H new ATOM 0 HA ALA A 43 8.474 -4.534 -10.953 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.554 -2.783 -12.399 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.266 -3.766 -11.662 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.615 -2.139 -11.031 1.00 0.00 H new ATOM 297 N SER A 44 8.987 -1.426 -9.956 1.00 0.00 N ATOM 298 CA SER A 44 9.975 -0.410 -9.589 1.00 0.00 C ATOM 299 C SER A 44 10.086 -0.252 -8.067 1.00 0.00 C ATOM 300 O SER A 44 10.795 0.626 -7.584 1.00 0.00 O ATOM 301 CB SER A 44 9.597 0.923 -10.241 1.00 0.00 C ATOM 302 OG SER A 44 9.491 0.759 -11.642 1.00 0.00 O ATOM 0 H SER A 44 8.038 -1.055 -9.997 1.00 0.00 H new ATOM 0 HA SER A 44 10.951 -0.731 -9.952 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.651 1.281 -9.835 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.349 1.677 -10.010 1.00 0.00 H new ATOM 0 HG SER A 44 9.247 1.614 -12.054 1.00 0.00 H new ATOM 308 N ALA A 45 9.336 -1.059 -7.319 1.00 0.00 N ATOM 309 CA ALA A 45 9.247 -1.079 -5.871 1.00 0.00 C ATOM 310 C ALA A 45 9.109 -2.556 -5.497 1.00 0.00 C ATOM 311 O ALA A 45 8.781 -3.350 -6.381 1.00 0.00 O ATOM 312 CB ALA A 45 8.019 -0.257 -5.483 1.00 0.00 C ATOM 0 H ALA A 45 8.734 -1.764 -7.745 1.00 0.00 H new ATOM 0 HA ALA A 45 10.107 -0.652 -5.355 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.916 -0.247 -4.398 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.135 0.764 -5.846 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.129 -0.701 -5.928 1.00 0.00 H new ATOM 318 N PRO A 46 9.381 -2.967 -4.249 1.00 0.00 N ATOM 319 CA PRO A 46 9.300 -4.365 -3.867 1.00 0.00 C ATOM 320 C PRO A 46 7.860 -4.874 -3.943 1.00 0.00 C ATOM 321 O PRO A 46 6.906 -4.093 -4.012 1.00 0.00 O ATOM 322 CB PRO A 46 9.849 -4.440 -2.438 1.00 0.00 C ATOM 323 CG PRO A 46 9.576 -3.042 -1.893 1.00 0.00 C ATOM 324 CD PRO A 46 9.799 -2.156 -3.121 1.00 0.00 C ATOM 0 HA PRO A 46 9.875 -4.999 -4.542 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.344 -5.208 -1.851 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.913 -4.677 -2.426 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.562 -2.949 -1.505 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.254 -2.785 -1.079 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.215 -1.238 -3.057 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.845 -1.863 -3.212 1.00 0.00 H new ATOM 332 N ALA A 47 7.722 -6.200 -3.917 1.00 0.00 N ATOM 333 CA ALA A 47 6.433 -6.858 -3.848 1.00 0.00 C ATOM 334 C ALA A 47 5.778 -6.482 -2.525 1.00 0.00 C ATOM 335 O ALA A 47 6.317 -6.816 -1.470 1.00 0.00 O ATOM 336 CB ALA A 47 6.619 -8.375 -3.950 1.00 0.00 C ATOM 0 H ALA A 47 8.512 -6.845 -3.944 1.00 0.00 H new ATOM 0 HA ALA A 47 5.796 -6.541 -4.674 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.647 -8.865 -3.898 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.098 -8.620 -4.898 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.245 -8.721 -3.127 1.00 0.00 H new ATOM 342 N ILE A 48 4.648 -5.772 -2.573 1.00 0.00 N ATOM 343 CA ILE A 48 3.876 -5.467 -1.375 1.00 0.00 C ATOM 344 C ILE A 48 2.534 -6.182 -1.380 1.00 0.00 C ATOM 345 O ILE A 48 1.822 -6.096 -0.391 1.00 0.00 O ATOM 346 CB ILE A 48 3.798 -3.955 -1.065 1.00 0.00 C ATOM 347 CG1 ILE A 48 3.059 -3.098 -2.104 1.00 0.00 C ATOM 348 CG2 ILE A 48 5.219 -3.421 -0.863 1.00 0.00 C ATOM 349 CD1 ILE A 48 1.538 -3.104 -1.901 1.00 0.00 C ATOM 0 H ILE A 48 4.250 -5.398 -3.434 1.00 0.00 H new ATOM 0 HA ILE A 48 4.425 -5.874 -0.525 1.00 0.00 H new ATOM 0 HB ILE A 48 3.195 -3.868 -0.161 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.425 -2.073 -2.050 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.290 -3.466 -3.104 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.179 -2.354 -0.643 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.690 -3.945 -0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.801 -3.583 -1.770 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.067 -2.483 -2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.164 -4.125 -1.983 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.301 -2.709 -0.913 1.00 0.00 H new ATOM 361 N ASP A 49 2.200 -6.953 -2.417 1.00 0.00 N ATOM 362 CA ASP A 49 1.061 -7.864 -2.404 1.00 0.00 C ATOM 363 C ASP A 49 0.979 -8.665 -1.098 1.00 0.00 C ATOM 364 O ASP A 49 -0.086 -8.778 -0.494 1.00 0.00 O ATOM 365 CB ASP A 49 1.137 -8.809 -3.615 1.00 0.00 C ATOM 366 CG ASP A 49 2.288 -9.801 -3.562 1.00 0.00 C ATOM 367 OD1 ASP A 49 3.355 -9.421 -3.028 1.00 0.00 O ATOM 368 OD2 ASP A 49 2.045 -10.949 -3.990 1.00 0.00 O ATOM 0 H ASP A 49 2.719 -6.960 -3.295 1.00 0.00 H new ATOM 0 HA ASP A 49 0.152 -7.265 -2.468 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.200 -9.361 -3.690 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.229 -8.212 -4.522 1.00 0.00 H new ATOM 373 N LYS A 50 2.117 -9.202 -0.659 1.00 0.00 N ATOM 374 CA LYS A 50 2.250 -10.036 0.527 1.00 0.00 C ATOM 375 C LYS A 50 2.559 -9.194 1.760 1.00 0.00 C ATOM 376 O LYS A 50 2.793 -9.741 2.835 1.00 0.00 O ATOM 377 CB LYS A 50 3.295 -11.144 0.304 1.00 0.00 C ATOM 378 CG LYS A 50 2.882 -12.127 -0.802 1.00 0.00 C ATOM 379 CD LYS A 50 1.734 -13.062 -0.390 1.00 0.00 C ATOM 380 CE LYS A 50 0.918 -13.485 -1.622 1.00 0.00 C ATOM 381 NZ LYS A 50 -0.221 -14.348 -1.248 1.00 0.00 N ATOM 0 H LYS A 50 3.004 -9.060 -1.142 1.00 0.00 H new ATOM 0 HA LYS A 50 1.294 -10.526 0.709 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.251 -10.690 0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.444 -11.691 1.235 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.582 -11.563 -1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.746 -12.728 -1.085 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.136 -13.944 0.108 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.086 -12.558 0.328 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.550 -12.598 -2.138 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.563 -14.016 -2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.022 -14.160 -1.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.059 -15.346 -1.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.503 -14.146 -0.268 1.00 0.00 H new ATOM 395 N ALA A 51 2.589 -7.867 1.636 1.00 0.00 N ATOM 396 CA ALA A 51 2.892 -7.004 2.756 1.00 0.00 C ATOM 397 C ALA A 51 1.934 -7.230 3.919 1.00 0.00 C ATOM 398 O ALA A 51 2.375 -7.114 5.051 1.00 0.00 O ATOM 399 CB ALA A 51 2.935 -5.547 2.323 1.00 0.00 C ATOM 0 H ALA A 51 2.405 -7.373 0.763 1.00 0.00 H new ATOM 0 HA ALA A 51 3.886 -7.265 3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.165 -4.918 3.183 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.704 -5.416 1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.967 -5.261 1.913 1.00 0.00 H new ATOM 405 N GLY A 52 0.666 -7.600 3.694 1.00 0.00 N ATOM 406 CA GLY A 52 -0.183 -8.005 4.804 1.00 0.00 C ATOM 407 C GLY A 52 0.325 -9.259 5.527 1.00 0.00 C ATOM 408 O GLY A 52 0.049 -9.448 6.708 1.00 0.00 O ATOM 0 H GLY A 52 0.221 -7.625 2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.252 -7.185 5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.191 -8.191 4.433 1.00 0.00 H new ATOM 412 N ALA A 53 1.008 -10.169 4.825 1.00 0.00 N ATOM 413 CA ALA A 53 1.670 -11.301 5.474 1.00 0.00 C ATOM 414 C ALA A 53 2.941 -10.841 6.185 1.00 0.00 C ATOM 415 O ALA A 53 3.222 -11.275 7.298 1.00 0.00 O ATOM 416 CB ALA A 53 1.982 -12.418 4.469 1.00 0.00 C ATOM 0 H ALA A 53 1.116 -10.143 3.811 1.00 0.00 H new ATOM 0 HA ALA A 53 0.985 -11.709 6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.473 -13.244 4.984 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.055 -12.772 4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.640 -12.033 3.690 1.00 0.00 H new ATOM 422 N ASN A 54 3.725 -9.987 5.525 1.00 0.00 N ATOM 423 CA ASN A 54 5.047 -9.604 6.014 1.00 0.00 C ATOM 424 C ASN A 54 4.944 -8.642 7.199 1.00 0.00 C ATOM 425 O ASN A 54 5.753 -8.707 8.122 1.00 0.00 O ATOM 426 CB ASN A 54 5.866 -8.944 4.894 1.00 0.00 C ATOM 427 CG ASN A 54 6.007 -9.810 3.643 1.00 0.00 C ATOM 428 OD1 ASN A 54 5.954 -11.035 3.705 1.00 0.00 O ATOM 429 ND2 ASN A 54 6.186 -9.183 2.484 1.00 0.00 N ATOM 0 H ASN A 54 3.463 -9.545 4.644 1.00 0.00 H new ATOM 0 HA ASN A 54 5.549 -10.513 6.344 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.395 -8.000 4.620 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.859 -8.706 5.274 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.282 -9.721 1.623 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.227 -8.164 2.456 1.00 0.00 H new ATOM 436 N TYR A 55 3.980 -7.725 7.136 1.00 0.00 N ATOM 437 CA TYR A 55 3.765 -6.605 8.047 1.00 0.00 C ATOM 438 C TYR A 55 2.270 -6.540 8.374 1.00 0.00 C ATOM 439 O TYR A 55 1.486 -7.286 7.794 1.00 0.00 O ATOM 440 CB TYR A 55 4.198 -5.294 7.373 1.00 0.00 C ATOM 441 CG TYR A 55 5.589 -5.252 6.768 1.00 0.00 C ATOM 442 CD1 TYR A 55 6.695 -5.778 7.462 1.00 0.00 C ATOM 443 CD2 TYR A 55 5.793 -4.575 5.550 1.00 0.00 C ATOM 444 CE1 TYR A 55 7.979 -5.713 6.895 1.00 0.00 C ATOM 445 CE2 TYR A 55 7.083 -4.479 5.003 1.00 0.00 C ATOM 446 CZ TYR A 55 8.177 -5.055 5.671 1.00 0.00 C ATOM 447 OH TYR A 55 9.430 -4.991 5.138 1.00 0.00 O ATOM 0 H TYR A 55 3.280 -7.748 6.394 1.00 0.00 H new ATOM 0 HA TYR A 55 4.350 -6.742 8.956 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.480 -5.066 6.585 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.126 -4.495 8.111 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.556 -6.232 8.432 1.00 0.00 H new ATOM 0 HD2 TYR A 55 4.955 -4.128 5.035 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.816 -6.170 7.402 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.234 -3.962 4.067 1.00 0.00 H new ATOM 0 HH TYR A 55 9.400 -4.504 4.288 1.00 0.00 H new ATOM 457 N SER A 56 1.868 -5.634 9.268 1.00 0.00 N ATOM 458 CA SER A 56 0.472 -5.453 9.651 1.00 0.00 C ATOM 459 C SER A 56 -0.047 -4.099 9.160 1.00 0.00 C ATOM 460 O SER A 56 0.729 -3.241 8.725 1.00 0.00 O ATOM 461 CB SER A 56 0.340 -5.592 11.168 1.00 0.00 C ATOM 462 OG SER A 56 0.912 -6.813 11.602 1.00 0.00 O ATOM 0 H SER A 56 2.509 -5.002 9.748 1.00 0.00 H new ATOM 0 HA SER A 56 -0.139 -6.223 9.181 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.835 -4.755 11.661 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.711 -5.553 11.453 1.00 0.00 H new ATOM 0 HG SER A 56 0.822 -6.889 12.575 1.00 0.00 H new ATOM 468 N GLU A 57 -1.365 -3.908 9.217 1.00 0.00 N ATOM 469 CA GLU A 57 -2.028 -2.697 8.776 1.00 0.00 C ATOM 470 C GLU A 57 -1.378 -1.445 9.384 1.00 0.00 C ATOM 471 O GLU A 57 -1.179 -0.478 8.659 1.00 0.00 O ATOM 472 CB GLU A 57 -3.555 -2.784 8.987 1.00 0.00 C ATOM 473 CG GLU A 57 -3.993 -3.315 10.363 1.00 0.00 C ATOM 474 CD GLU A 57 -4.248 -4.821 10.364 1.00 0.00 C ATOM 475 OE1 GLU A 57 -3.281 -5.564 10.087 1.00 0.00 O ATOM 476 OE2 GLU A 57 -5.413 -5.199 10.612 1.00 0.00 O ATOM 0 H GLU A 57 -2.009 -4.611 9.580 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.889 -2.598 7.699 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.983 -1.792 8.844 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.977 -3.427 8.215 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.224 -3.081 11.099 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.900 -2.798 10.675 1.00 0.00 H new ATOM 483 N GLU A 58 -0.996 -1.441 10.665 1.00 0.00 N ATOM 484 CA GLU A 58 -0.342 -0.293 11.285 1.00 0.00 C ATOM 485 C GLU A 58 0.942 0.109 10.540 1.00 0.00 C ATOM 486 O GLU A 58 1.104 1.269 10.153 1.00 0.00 O ATOM 487 CB GLU A 58 -0.130 -0.510 12.798 1.00 0.00 C ATOM 488 CG GLU A 58 0.616 -1.782 13.249 1.00 0.00 C ATOM 489 CD GLU A 58 -0.295 -2.981 13.482 1.00 0.00 C ATOM 490 OE1 GLU A 58 -1.000 -3.347 12.519 1.00 0.00 O ATOM 491 OE2 GLU A 58 -0.251 -3.528 14.603 1.00 0.00 O ATOM 0 H GLU A 58 -1.132 -2.231 11.295 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.014 0.560 11.194 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.414 0.351 13.186 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.110 -0.510 13.276 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.358 -2.043 12.495 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.159 -1.566 14.169 1.00 0.00 H new ATOM 498 N GLU A 59 1.837 -0.853 10.306 1.00 0.00 N ATOM 499 CA GLU A 59 3.094 -0.646 9.599 1.00 0.00 C ATOM 500 C GLU A 59 2.805 -0.053 8.219 1.00 0.00 C ATOM 501 O GLU A 59 3.373 0.959 7.810 1.00 0.00 O ATOM 502 CB GLU A 59 3.808 -2.002 9.455 1.00 0.00 C ATOM 503 CG GLU A 59 4.291 -2.580 10.792 1.00 0.00 C ATOM 504 CD GLU A 59 5.533 -1.858 11.300 1.00 0.00 C ATOM 505 OE1 GLU A 59 6.571 -1.989 10.617 1.00 0.00 O ATOM 506 OE2 GLU A 59 5.424 -1.200 12.355 1.00 0.00 O ATOM 0 H GLU A 59 1.701 -1.817 10.611 1.00 0.00 H new ATOM 0 HA GLU A 59 3.732 0.043 10.153 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.130 -2.713 8.984 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.662 -1.886 8.788 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.495 -2.500 11.532 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.510 -3.641 10.672 1.00 0.00 H new ATOM 513 N ILE A 60 1.899 -0.707 7.494 1.00 0.00 N ATOM 514 CA ILE A 60 1.587 -0.373 6.113 1.00 0.00 C ATOM 515 C ILE A 60 0.999 1.039 6.067 1.00 0.00 C ATOM 516 O ILE A 60 1.457 1.877 5.296 1.00 0.00 O ATOM 517 CB ILE A 60 0.657 -1.447 5.521 1.00 0.00 C ATOM 518 CG1 ILE A 60 1.375 -2.808 5.460 1.00 0.00 C ATOM 519 CG2 ILE A 60 0.155 -1.038 4.130 1.00 0.00 C ATOM 520 CD1 ILE A 60 0.414 -3.982 5.252 1.00 0.00 C ATOM 0 H ILE A 60 1.357 -1.492 7.857 1.00 0.00 H new ATOM 0 HA ILE A 60 2.484 -0.368 5.494 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.209 -1.541 6.176 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.103 -2.793 4.648 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.932 -2.961 6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.500 -1.815 3.736 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.397 -0.101 4.203 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.005 -0.906 3.461 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.979 -4.913 5.218 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.298 -4.020 6.077 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.124 -3.850 4.314 1.00 0.00 H new ATOM 532 N LEU A 61 0.005 1.305 6.915 1.00 0.00 N ATOM 533 CA LEU A 61 -0.625 2.604 7.091 1.00 0.00 C ATOM 534 C LEU A 61 0.428 3.681 7.265 1.00 0.00 C ATOM 535 O LEU A 61 0.457 4.661 6.515 1.00 0.00 O ATOM 536 CB LEU A 61 -1.536 2.558 8.323 1.00 0.00 C ATOM 537 CG LEU A 61 -2.272 3.870 8.637 1.00 0.00 C ATOM 538 CD1 LEU A 61 -2.993 4.421 7.407 1.00 0.00 C ATOM 539 CD2 LEU A 61 -3.292 3.621 9.752 1.00 0.00 C ATOM 0 H LEU A 61 -0.396 0.589 7.520 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.217 2.840 6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.275 1.770 8.180 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.936 2.279 9.189 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.533 4.606 8.952 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.502 5.349 7.669 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.268 4.615 6.617 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.724 3.692 7.057 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.817 4.549 9.979 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.010 2.868 9.427 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.776 3.269 10.645 1.00 0.00 H new ATOM 551 N ASP A 62 1.296 3.495 8.264 1.00 0.00 N ATOM 552 CA ASP A 62 2.291 4.511 8.545 1.00 0.00 C ATOM 553 C ASP A 62 3.170 4.696 7.314 1.00 0.00 C ATOM 554 O ASP A 62 3.386 5.818 6.865 1.00 0.00 O ATOM 555 CB ASP A 62 3.108 4.173 9.791 1.00 0.00 C ATOM 556 CG ASP A 62 3.989 5.361 10.157 1.00 0.00 C ATOM 557 OD1 ASP A 62 3.415 6.396 10.572 1.00 0.00 O ATOM 558 OD2 ASP A 62 5.213 5.246 9.954 1.00 0.00 O ATOM 0 H ASP A 62 1.325 2.675 8.870 1.00 0.00 H new ATOM 0 HA ASP A 62 1.790 5.454 8.764 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.443 3.930 10.620 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.724 3.293 9.608 1.00 0.00 H new ATOM 563 N ILE A 63 3.600 3.597 6.696 1.00 0.00 N ATOM 564 CA ILE A 63 4.474 3.658 5.531 1.00 0.00 C ATOM 565 C ILE A 63 3.802 4.427 4.390 1.00 0.00 C ATOM 566 O ILE A 63 4.440 5.247 3.738 1.00 0.00 O ATOM 567 CB ILE A 63 4.921 2.235 5.147 1.00 0.00 C ATOM 568 CG1 ILE A 63 6.139 1.863 6.012 1.00 0.00 C ATOM 569 CG2 ILE A 63 5.222 2.095 3.651 1.00 0.00 C ATOM 570 CD1 ILE A 63 6.606 0.415 5.828 1.00 0.00 C ATOM 0 H ILE A 63 3.355 2.651 6.986 1.00 0.00 H new ATOM 0 HA ILE A 63 5.379 4.218 5.767 1.00 0.00 H new ATOM 0 HB ILE A 63 4.103 1.542 5.341 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.963 2.535 5.771 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.892 2.025 7.061 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.532 1.072 3.436 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.326 2.331 3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.022 2.782 3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.467 0.226 6.469 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.798 -0.265 6.097 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.886 0.252 4.787 1.00 0.00 H new ATOM 582 N ILE A 64 2.512 4.207 4.146 1.00 0.00 N ATOM 583 CA ILE A 64 1.772 4.954 3.136 1.00 0.00 C ATOM 584 C ILE A 64 1.797 6.443 3.477 1.00 0.00 C ATOM 585 O ILE A 64 2.114 7.283 2.631 1.00 0.00 O ATOM 586 CB ILE A 64 0.341 4.408 3.045 1.00 0.00 C ATOM 587 CG1 ILE A 64 0.390 2.970 2.513 1.00 0.00 C ATOM 588 CG2 ILE A 64 -0.535 5.277 2.133 1.00 0.00 C ATOM 589 CD1 ILE A 64 -0.845 2.195 2.959 1.00 0.00 C ATOM 0 H ILE A 64 1.955 3.510 4.640 1.00 0.00 H new ATOM 0 HA ILE A 64 2.238 4.833 2.158 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.103 4.425 4.040 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.447 2.980 1.425 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.290 2.472 2.875 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.542 4.861 2.092 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.578 6.292 2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.109 5.296 1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.795 1.177 2.573 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.885 2.169 4.048 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.740 2.685 2.575 1.00 0.00 H new ATOM 601 N LEU A 65 1.457 6.770 4.724 1.00 0.00 N ATOM 602 CA LEU A 65 1.398 8.145 5.190 1.00 0.00 C ATOM 603 C LEU A 65 2.776 8.827 5.185 1.00 0.00 C ATOM 604 O LEU A 65 2.835 10.047 5.019 1.00 0.00 O ATOM 605 CB LEU A 65 0.783 8.175 6.595 1.00 0.00 C ATOM 606 CG LEU A 65 -0.702 7.767 6.653 1.00 0.00 C ATOM 607 CD1 LEU A 65 -1.070 7.455 8.108 1.00 0.00 C ATOM 608 CD2 LEU A 65 -1.601 8.898 6.156 1.00 0.00 C ATOM 0 H LEU A 65 1.215 6.082 5.437 1.00 0.00 H new ATOM 0 HA LEU A 65 0.772 8.709 4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.355 7.510 7.242 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.886 9.181 7.001 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.849 6.895 6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.119 7.165 8.164 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.448 6.638 8.474 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.905 8.340 8.723 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.643 8.584 6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.456 9.779 6.781 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.345 9.139 5.124 1.00 0.00 H new ATOM 620 N ASN A 66 3.855 8.062 5.399 1.00 0.00 N ATOM 621 CA ASN A 66 5.208 8.557 5.667 1.00 0.00 C ATOM 622 C ASN A 66 6.130 8.404 4.458 1.00 0.00 C ATOM 623 O ASN A 66 6.725 9.385 4.019 1.00 0.00 O ATOM 624 CB ASN A 66 5.833 7.807 6.854 1.00 0.00 C ATOM 625 CG ASN A 66 5.297 8.273 8.206 1.00 0.00 C ATOM 626 OD1 ASN A 66 5.993 8.949 8.959 1.00 0.00 O ATOM 627 ND2 ASN A 66 4.059 7.910 8.509 1.00 0.00 N ATOM 0 H ASN A 66 3.805 7.043 5.389 1.00 0.00 H new ATOM 0 HA ASN A 66 5.109 9.618 5.898 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.642 6.740 6.743 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.914 7.942 6.833 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.648 8.193 9.399 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.517 7.348 7.853 1.00 0.00 H new ATOM 634 N GLY A 67 6.288 7.176 3.958 1.00 0.00 N ATOM 635 CA GLY A 67 7.229 6.789 2.916 1.00 0.00 C ATOM 636 C GLY A 67 7.939 5.482 3.290 1.00 0.00 C ATOM 637 O GLY A 67 7.613 4.853 4.295 1.00 0.00 O ATOM 0 H GLY A 67 5.732 6.388 4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.702 6.665 1.970 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.964 7.580 2.770 1.00 0.00 H new ATOM 641 N GLN A 68 8.924 5.097 2.475 1.00 0.00 N ATOM 642 CA GLN A 68 9.867 4.000 2.685 1.00 0.00 C ATOM 643 C GLN A 68 10.978 4.233 1.661 1.00 0.00 C ATOM 644 O GLN A 68 10.670 4.296 0.477 1.00 0.00 O ATOM 645 CB GLN A 68 9.242 2.611 2.400 1.00 0.00 C ATOM 646 CG GLN A 68 10.290 1.489 2.420 1.00 0.00 C ATOM 647 CD GLN A 68 10.916 1.159 3.767 1.00 0.00 C ATOM 648 OE1 GLN A 68 11.322 2.039 4.517 1.00 0.00 O ATOM 649 NE2 GLN A 68 11.052 -0.132 4.050 1.00 0.00 N ATOM 0 H GLN A 68 9.094 5.577 1.591 1.00 0.00 H new ATOM 0 HA GLN A 68 10.202 3.993 3.722 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.473 2.401 3.143 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.749 2.629 1.428 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.825 0.583 2.030 1.00 0.00 H new ATOM 0 HG3 GLN A 68 11.090 1.759 1.731 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.701 -0.836 3.401 1.00 0.00 H new ATOM 0 HE22 GLN A 68 11.507 -0.419 4.917 1.00 0.00 H new ATOM 658 N GLY A 69 12.249 4.318 2.063 1.00 0.00 N ATOM 659 CA GLY A 69 13.364 4.447 1.124 1.00 0.00 C ATOM 660 C GLY A 69 13.102 5.494 0.029 1.00 0.00 C ATOM 661 O GLY A 69 13.003 6.681 0.334 1.00 0.00 O ATOM 0 H GLY A 69 12.532 4.299 3.043 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.266 4.719 1.673 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.554 3.480 0.658 1.00 0.00 H new ATOM 665 N GLY A 70 12.978 5.070 -1.236 1.00 0.00 N ATOM 666 CA GLY A 70 12.744 5.965 -2.366 1.00 0.00 C ATOM 667 C GLY A 70 11.274 6.364 -2.551 1.00 0.00 C ATOM 668 O GLY A 70 10.972 7.247 -3.352 1.00 0.00 O ATOM 0 H GLY A 70 13.039 4.087 -1.501 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.341 6.867 -2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.097 5.483 -3.278 1.00 0.00 H new ATOM 672 N MET A 71 10.345 5.710 -1.852 1.00 0.00 N ATOM 673 CA MET A 71 8.918 5.991 -1.929 1.00 0.00 C ATOM 674 C MET A 71 8.641 7.387 -1.361 1.00 0.00 C ATOM 675 O MET A 71 9.027 7.642 -0.222 1.00 0.00 O ATOM 676 CB MET A 71 8.189 4.934 -1.102 1.00 0.00 C ATOM 677 CG MET A 71 6.665 4.979 -1.148 1.00 0.00 C ATOM 678 SD MET A 71 5.964 3.521 -0.332 1.00 0.00 S ATOM 679 CE MET A 71 4.410 4.199 0.303 1.00 0.00 C ATOM 0 H MET A 71 10.572 4.955 -1.204 1.00 0.00 H new ATOM 0 HA MET A 71 8.573 5.963 -2.963 1.00 0.00 H new ATOM 0 HB2 MET A 71 8.513 3.950 -1.440 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.504 5.034 -0.063 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.307 5.885 -0.659 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.327 5.021 -2.184 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.896 3.440 0.893 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.620 5.065 0.930 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.777 4.501 -0.531 1.00 0.00 H new ATOM 689 N PRO A 72 7.956 8.276 -2.100 1.00 0.00 N ATOM 690 CA PRO A 72 7.748 9.654 -1.681 1.00 0.00 C ATOM 691 C PRO A 72 6.924 9.746 -0.397 1.00 0.00 C ATOM 692 O PRO A 72 7.203 10.579 0.459 1.00 0.00 O ATOM 693 CB PRO A 72 7.076 10.360 -2.865 1.00 0.00 C ATOM 694 CG PRO A 72 6.425 9.223 -3.651 1.00 0.00 C ATOM 695 CD PRO A 72 7.380 8.052 -3.414 1.00 0.00 C ATOM 0 HA PRO A 72 8.693 10.137 -1.432 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.337 11.087 -2.529 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.802 10.901 -3.472 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.421 9.005 -3.288 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.336 9.464 -4.710 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.850 7.100 -3.452 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.154 8.017 -4.180 1.00 0.00 H new ATOM 703 N GLY A 73 5.908 8.890 -0.270 1.00 0.00 N ATOM 704 CA GLY A 73 5.072 8.837 0.911 1.00 0.00 C ATOM 705 C GLY A 73 4.013 9.934 0.902 1.00 0.00 C ATOM 706 O GLY A 73 4.053 10.870 0.107 1.00 0.00 O ATOM 0 H GLY A 73 5.649 8.216 -0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.586 7.863 0.970 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.693 8.938 1.801 1.00 0.00 H new ATOM 710 N GLY A 74 3.002 9.766 1.755 1.00 0.00 N ATOM 711 CA GLY A 74 1.841 10.645 1.801 1.00 0.00 C ATOM 712 C GLY A 74 1.042 10.582 0.499 1.00 0.00 C ATOM 713 O GLY A 74 0.272 11.490 0.193 1.00 0.00 O ATOM 0 H GLY A 74 2.969 9.009 2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.201 10.362 2.637 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.165 11.670 1.981 1.00 0.00 H new ATOM 717 N ILE A 75 1.211 9.491 -0.252 1.00 0.00 N ATOM 718 CA ILE A 75 0.582 9.253 -1.541 1.00 0.00 C ATOM 719 C ILE A 75 -0.934 9.160 -1.367 1.00 0.00 C ATOM 720 O ILE A 75 -1.695 9.584 -2.242 1.00 0.00 O ATOM 721 CB ILE A 75 1.181 7.959 -2.117 1.00 0.00 C ATOM 722 CG1 ILE A 75 2.652 8.184 -2.515 1.00 0.00 C ATOM 723 CG2 ILE A 75 0.400 7.428 -3.324 1.00 0.00 C ATOM 724 CD1 ILE A 75 3.476 6.939 -2.190 1.00 0.00 C ATOM 0 H ILE A 75 1.815 8.722 0.038 1.00 0.00 H new ATOM 0 HA ILE A 75 0.770 10.072 -2.235 1.00 0.00 H new ATOM 0 HB ILE A 75 1.116 7.208 -1.330 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.719 8.407 -3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.054 9.046 -1.982 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.869 6.514 -3.687 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.627 7.216 -3.028 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.402 8.176 -4.116 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.515 7.106 -2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.421 6.735 -1.121 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.081 6.087 -2.743 1.00 0.00 H new ATOM 736 N ALA A 76 -1.363 8.590 -0.239 1.00 0.00 N ATOM 737 CA ALA A 76 -2.749 8.495 0.167 1.00 0.00 C ATOM 738 C ALA A 76 -2.809 8.892 1.638 1.00 0.00 C ATOM 739 O ALA A 76 -1.832 8.632 2.344 1.00 0.00 O ATOM 740 CB ALA A 76 -3.230 7.057 -0.033 1.00 0.00 C ATOM 0 H ALA A 76 -0.724 8.169 0.435 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.392 9.149 -0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.274 6.977 0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.136 6.785 -1.084 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.623 6.383 0.572 1.00 0.00 H new ATOM 746 N LYS A 77 -3.893 9.529 2.100 1.00 0.00 N ATOM 747 CA LYS A 77 -4.009 10.004 3.475 1.00 0.00 C ATOM 748 C LYS A 77 -5.408 9.786 4.066 1.00 0.00 C ATOM 749 O LYS A 77 -6.403 9.698 3.351 1.00 0.00 O ATOM 750 CB LYS A 77 -3.591 11.482 3.553 1.00 0.00 C ATOM 751 CG LYS A 77 -2.064 11.687 3.491 1.00 0.00 C ATOM 752 CD LYS A 77 -1.501 12.398 4.733 1.00 0.00 C ATOM 753 CE LYS A 77 0.035 12.302 4.730 1.00 0.00 C ATOM 754 NZ LYS A 77 0.659 12.881 5.938 1.00 0.00 N ATOM 0 H LYS A 77 -4.712 9.727 1.526 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.332 9.408 4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.058 12.028 2.733 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.971 11.912 4.480 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.577 10.718 3.382 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.817 12.269 2.603 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.810 13.443 4.738 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.902 11.943 5.638 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.327 11.255 4.645 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.422 12.813 3.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.693 12.785 5.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.408 13.888 6.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.316 12.378 6.781 1.00 0.00 H new ATOM 768 N GLY A 78 -5.473 9.698 5.401 1.00 0.00 N ATOM 769 CA GLY A 78 -6.707 9.463 6.137 1.00 0.00 C ATOM 770 C GLY A 78 -7.380 8.175 5.671 1.00 0.00 C ATOM 771 O GLY A 78 -6.689 7.199 5.364 1.00 0.00 O ATOM 0 H GLY A 78 -4.654 9.790 6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.493 9.401 7.204 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.385 10.304 5.996 1.00 0.00 H new ATOM 775 N ALA A 79 -8.714 8.211 5.548 1.00 0.00 N ATOM 776 CA ALA A 79 -9.555 7.091 5.138 1.00 0.00 C ATOM 777 C ALA A 79 -8.958 6.327 3.958 1.00 0.00 C ATOM 778 O ALA A 79 -9.057 5.107 3.895 1.00 0.00 O ATOM 779 CB ALA A 79 -10.956 7.598 4.783 1.00 0.00 C ATOM 0 H ALA A 79 -9.252 9.056 5.740 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.616 6.397 5.977 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.580 6.758 4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.399 8.082 5.653 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.887 8.315 3.965 1.00 0.00 H new ATOM 785 N GLU A 80 -8.336 7.053 3.030 1.00 0.00 N ATOM 786 CA GLU A 80 -7.622 6.500 1.897 1.00 0.00 C ATOM 787 C GLU A 80 -6.554 5.501 2.373 1.00 0.00 C ATOM 788 O GLU A 80 -6.609 4.314 2.051 1.00 0.00 O ATOM 789 CB GLU A 80 -7.020 7.693 1.147 1.00 0.00 C ATOM 790 CG GLU A 80 -6.751 7.482 -0.341 1.00 0.00 C ATOM 791 CD GLU A 80 -5.984 8.666 -0.911 1.00 0.00 C ATOM 792 OE1 GLU A 80 -5.618 9.574 -0.128 1.00 0.00 O ATOM 793 OE2 GLU A 80 -5.719 8.634 -2.131 1.00 0.00 O ATOM 0 H GLU A 80 -8.319 8.073 3.053 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.278 5.937 1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.693 8.543 1.257 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.082 7.965 1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.180 6.565 -0.488 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.694 7.360 -0.874 1.00 0.00 H new ATOM 800 N ALA A 81 -5.579 5.974 3.157 1.00 0.00 N ATOM 801 CA ALA A 81 -4.474 5.157 3.627 1.00 0.00 C ATOM 802 C ALA A 81 -4.978 4.074 4.578 1.00 0.00 C ATOM 803 O ALA A 81 -4.507 2.942 4.524 1.00 0.00 O ATOM 804 CB ALA A 81 -3.430 6.047 4.300 1.00 0.00 C ATOM 0 H ALA A 81 -5.542 6.941 3.481 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.006 4.657 2.779 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.601 5.433 4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.060 6.780 3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.883 6.564 5.146 1.00 0.00 H new ATOM 810 N GLU A 82 -5.936 4.415 5.443 1.00 0.00 N ATOM 811 CA GLU A 82 -6.546 3.467 6.369 1.00 0.00 C ATOM 812 C GLU A 82 -7.172 2.303 5.592 1.00 0.00 C ATOM 813 O GLU A 82 -6.901 1.132 5.870 1.00 0.00 O ATOM 814 CB GLU A 82 -7.578 4.207 7.227 1.00 0.00 C ATOM 815 CG GLU A 82 -6.918 5.280 8.109 1.00 0.00 C ATOM 816 CD GLU A 82 -7.962 6.174 8.767 1.00 0.00 C ATOM 817 OE1 GLU A 82 -8.703 5.642 9.618 1.00 0.00 O ATOM 818 OE2 GLU A 82 -8.010 7.366 8.390 1.00 0.00 O ATOM 0 H GLU A 82 -6.310 5.361 5.519 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.791 3.042 7.031 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.321 4.674 6.581 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.107 3.492 7.857 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.311 4.800 8.877 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.245 5.888 7.504 1.00 0.00 H new ATOM 825 N ALA A 83 -7.993 2.635 4.590 1.00 0.00 N ATOM 826 CA ALA A 83 -8.609 1.663 3.705 1.00 0.00 C ATOM 827 C ALA A 83 -7.530 0.798 3.061 1.00 0.00 C ATOM 828 O ALA A 83 -7.619 -0.427 3.149 1.00 0.00 O ATOM 829 CB ALA A 83 -9.487 2.360 2.659 1.00 0.00 C ATOM 0 H ALA A 83 -8.246 3.599 4.375 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.263 1.011 4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.939 1.613 2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.272 2.925 3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.875 3.039 2.064 1.00 0.00 H new ATOM 835 N VAL A 84 -6.508 1.420 2.450 1.00 0.00 N ATOM 836 CA VAL A 84 -5.380 0.672 1.904 1.00 0.00 C ATOM 837 C VAL A 84 -4.850 -0.316 2.943 1.00 0.00 C ATOM 838 O VAL A 84 -4.769 -1.506 2.673 1.00 0.00 O ATOM 839 CB VAL A 84 -4.235 1.574 1.405 1.00 0.00 C ATOM 840 CG1 VAL A 84 -3.021 0.724 1.013 1.00 0.00 C ATOM 841 CG2 VAL A 84 -4.577 2.377 0.148 1.00 0.00 C ATOM 0 H VAL A 84 -6.446 2.431 2.326 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.758 0.134 1.034 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.042 2.253 2.236 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.220 1.374 0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.677 0.159 1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.302 0.033 0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.720 2.986 -0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.825 1.694 -0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.430 3.024 0.351 1.00 0.00 H new ATOM 851 N ALA A 85 -4.443 0.169 4.113 1.00 0.00 N ATOM 852 CA ALA A 85 -3.805 -0.648 5.131 1.00 0.00 C ATOM 853 C ALA A 85 -4.632 -1.897 5.439 1.00 0.00 C ATOM 854 O ALA A 85 -4.134 -3.018 5.319 1.00 0.00 O ATOM 855 CB ALA A 85 -3.587 0.209 6.373 1.00 0.00 C ATOM 0 H ALA A 85 -4.549 1.148 4.379 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.840 -1.003 4.768 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.108 -0.389 7.148 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.949 1.057 6.123 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.548 0.573 6.737 1.00 0.00 H new ATOM 861 N ALA A 86 -5.903 -1.704 5.802 1.00 0.00 N ATOM 862 CA ALA A 86 -6.798 -2.813 6.109 1.00 0.00 C ATOM 863 C ALA A 86 -6.898 -3.776 4.921 1.00 0.00 C ATOM 864 O ALA A 86 -6.662 -4.978 5.056 1.00 0.00 O ATOM 865 CB ALA A 86 -8.172 -2.267 6.506 1.00 0.00 C ATOM 0 H ALA A 86 -6.333 -0.783 5.890 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.395 -3.378 6.949 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.841 -3.097 6.735 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.070 -1.629 7.384 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.585 -1.686 5.681 1.00 0.00 H new ATOM 871 N TRP A 87 -7.227 -3.241 3.744 1.00 0.00 N ATOM 872 CA TRP A 87 -7.314 -4.009 2.507 1.00 0.00 C ATOM 873 C TRP A 87 -6.046 -4.834 2.278 1.00 0.00 C ATOM 874 O TRP A 87 -6.116 -5.998 1.903 1.00 0.00 O ATOM 875 CB TRP A 87 -7.575 -3.033 1.358 1.00 0.00 C ATOM 876 CG TRP A 87 -7.247 -3.488 -0.034 1.00 0.00 C ATOM 877 CD1 TRP A 87 -8.011 -4.259 -0.838 1.00 0.00 C ATOM 878 CD2 TRP A 87 -6.045 -3.193 -0.802 1.00 0.00 C ATOM 879 NE1 TRP A 87 -7.282 -4.616 -1.955 1.00 0.00 N ATOM 880 CE2 TRP A 87 -6.049 -3.996 -1.976 1.00 0.00 C ATOM 881 CE3 TRP A 87 -4.924 -2.361 -0.601 1.00 0.00 C ATOM 882 CZ2 TRP A 87 -4.942 -4.047 -2.836 1.00 0.00 C ATOM 883 CZ3 TRP A 87 -3.849 -2.349 -1.503 1.00 0.00 C ATOM 884 CH2 TRP A 87 -3.849 -3.213 -2.607 1.00 0.00 C ATOM 0 H TRP A 87 -7.442 -2.251 3.625 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.135 -4.724 2.567 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.630 -2.762 1.382 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -7.008 -2.123 1.556 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.032 -4.550 -0.639 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -7.613 -5.258 -2.675 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.892 -1.719 0.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -4.937 -4.730 -3.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -3.021 -1.674 -1.347 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.004 -3.232 -3.279 1.00 0.00 H new ATOM 895 N LEU A 88 -4.872 -4.244 2.492 1.00 0.00 N ATOM 896 CA LEU A 88 -3.614 -4.896 2.170 1.00 0.00 C ATOM 897 C LEU A 88 -3.243 -5.963 3.190 1.00 0.00 C ATOM 898 O LEU A 88 -2.794 -7.048 2.822 1.00 0.00 O ATOM 899 CB LEU A 88 -2.520 -3.864 1.869 1.00 0.00 C ATOM 900 CG LEU A 88 -1.685 -4.183 0.615 1.00 0.00 C ATOM 901 CD1 LEU A 88 -0.487 -5.052 0.933 1.00 0.00 C ATOM 902 CD2 LEU A 88 -2.407 -4.881 -0.542 1.00 0.00 C ATOM 0 H LEU A 88 -4.770 -3.310 2.890 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.736 -5.456 1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.983 -2.885 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.854 -3.795 2.729 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.414 -3.180 0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.071 -5.251 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.157 -4.537 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.825 -5.995 1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.707 -5.047 -1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.800 -5.839 -0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.229 -4.254 -0.889 1.00 0.00 H new ATOM 914 N ALA A 89 -3.537 -5.691 4.459 1.00 0.00 N ATOM 915 CA ALA A 89 -3.525 -6.692 5.520 1.00 0.00 C ATOM 916 C ALA A 89 -4.396 -7.881 5.109 1.00 0.00 C ATOM 917 O ALA A 89 -4.024 -9.036 5.298 1.00 0.00 O ATOM 918 CB ALA A 89 -3.968 -6.082 6.852 1.00 0.00 C ATOM 0 H ALA A 89 -3.793 -4.758 4.782 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.507 -7.053 5.668 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.951 -6.848 7.627 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.290 -5.274 7.126 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.980 -5.689 6.753 1.00 0.00 H new ATOM 924 N GLU A 90 -5.544 -7.591 4.501 1.00 0.00 N ATOM 925 CA GLU A 90 -6.489 -8.582 4.016 1.00 0.00 C ATOM 926 C GLU A 90 -6.040 -9.262 2.700 1.00 0.00 C ATOM 927 O GLU A 90 -6.453 -10.387 2.432 1.00 0.00 O ATOM 928 CB GLU A 90 -7.857 -7.880 3.965 1.00 0.00 C ATOM 929 CG GLU A 90 -9.051 -8.786 3.619 1.00 0.00 C ATOM 930 CD GLU A 90 -9.518 -8.624 2.173 1.00 0.00 C ATOM 931 OE1 GLU A 90 -9.734 -7.460 1.773 1.00 0.00 O ATOM 932 OE2 GLU A 90 -9.684 -9.667 1.505 1.00 0.00 O ATOM 0 H GLU A 90 -5.847 -6.632 4.330 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.552 -9.438 4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.044 -7.415 4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.807 -7.077 3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.774 -9.826 3.792 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.879 -8.560 4.291 1.00 0.00 H new ATOM 939 N LYS A 91 -5.155 -8.652 1.894 1.00 0.00 N ATOM 940 CA LYS A 91 -4.869 -9.101 0.520 1.00 0.00 C ATOM 941 C LYS A 91 -3.945 -10.324 0.475 1.00 0.00 C ATOM 942 O LYS A 91 -3.824 -10.998 -0.546 1.00 0.00 O ATOM 943 CB LYS A 91 -4.203 -7.940 -0.239 1.00 0.00 C ATOM 944 CG LYS A 91 -4.571 -7.793 -1.734 1.00 0.00 C ATOM 945 CD LYS A 91 -3.888 -8.694 -2.794 1.00 0.00 C ATOM 946 CE LYS A 91 -2.443 -8.276 -3.128 1.00 0.00 C ATOM 947 NZ LYS A 91 -1.996 -8.743 -4.479 1.00 0.00 N ATOM 0 H LYS A 91 -4.617 -7.833 2.177 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.813 -9.395 0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.458 -7.010 0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.122 -8.058 -0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.646 -7.950 -1.820 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.377 -6.758 -2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.885 -9.723 -2.435 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.482 -8.677 -3.708 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.365 -7.190 -3.081 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.770 -8.677 -2.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.174 -8.184 -4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.733 -9.748 -4.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.771 -8.621 -5.162 1.00 0.00 H new ATOM 961 N LYS A 92 -3.248 -10.551 1.579 1.00 0.00 N ATOM 962 CA LYS A 92 -2.001 -11.283 1.662 1.00 0.00 C ATOM 963 C LYS A 92 -2.168 -12.788 1.413 1.00 0.00 C ATOM 964 O LYS A 92 -3.247 -13.335 1.725 1.00 0.00 O ATOM 965 CB LYS A 92 -1.498 -11.031 3.070 1.00 0.00 C ATOM 966 CG LYS A 92 -2.482 -11.624 4.100 1.00 0.00 C ATOM 967 CD LYS A 92 -2.088 -11.420 5.559 1.00 0.00 C ATOM 968 CE LYS A 92 -3.130 -12.031 6.501 1.00 0.00 C ATOM 969 NZ LYS A 92 -3.347 -13.466 6.228 1.00 0.00 N ATOM 970 OXT LYS A 92 -1.174 -13.397 0.963 1.00 0.00 O ATOM 0 H LYS A 92 -3.558 -10.209 2.489 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.307 -10.947 0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.512 -11.479 3.198 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.386 -9.960 3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.464 -11.180 3.939 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.581 -12.693 3.912 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.115 -11.875 5.743 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.986 -10.355 5.766 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.805 -11.903 7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.073 -11.495 6.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.853 -13.899 7.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.912 -13.573 5.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.429 -13.938 6.103 1.00 0.00 H new