USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 522 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 5 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0682) USER MOD Single : A 11 LYS NZ :NH3+ -166:sc= 0.884 (180deg=0.693) USER MOD Single : A 12 ASN : amide:sc= -0.0232 X(o=-0.023,f=-0.15) USER MOD Single : A 15 SER OG : rot 99:sc= -0.448 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.012) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.3 K(o=-0.3,f=-3.1!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.02 K(o=-1,f=-4.9!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 140:sc= 0.0467 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.884 USER MOD Single : A 52 GLN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 53 SER OG : rot 160:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -2.22 X(o=-2.2,f=-2.6!) USER MOD Single : A 61 GLN : amide:sc= -2.59 K(o=-2.6,f=-8.1!) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0158 USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 3 -1.441 -12.782 0.757 1.00 0.00 N ATOM 20 CA ALA A 3 -1.728 -13.244 -0.590 1.00 0.00 C ATOM 21 C ALA A 3 -0.526 -12.953 -1.491 1.00 0.00 C ATOM 22 O ALA A 3 -0.624 -13.048 -2.713 1.00 0.00 O ATOM 23 CB ALA A 3 -3.010 -12.579 -1.096 1.00 0.00 C ATOM 0 HA ALA A 3 -1.894 -14.321 -0.599 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.225 -12.926 -2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.839 -12.840 -0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.880 -11.497 -1.104 1.00 0.00 H new ATOM 29 N GLY A 4 0.581 -12.605 -0.852 1.00 0.00 N ATOM 30 CA GLY A 4 1.801 -12.299 -1.580 1.00 0.00 C ATOM 31 C GLY A 4 2.263 -10.868 -1.300 1.00 0.00 C ATOM 32 O GLY A 4 1.791 -10.233 -0.360 1.00 0.00 O ATOM 0 H GLY A 4 0.659 -12.528 0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.585 -13.000 -1.294 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.633 -12.428 -2.649 1.00 0.00 H new ATOM 36 N LYS A 5 3.181 -10.403 -2.136 1.00 0.00 N ATOM 37 CA LYS A 5 3.711 -9.058 -1.991 1.00 0.00 C ATOM 38 C LYS A 5 2.998 -8.124 -2.972 1.00 0.00 C ATOM 39 O LYS A 5 2.477 -8.571 -3.992 1.00 0.00 O ATOM 40 CB LYS A 5 5.234 -9.064 -2.143 1.00 0.00 C ATOM 41 CG LYS A 5 5.638 -9.349 -3.591 1.00 0.00 C ATOM 42 CD LYS A 5 7.159 -9.299 -3.755 1.00 0.00 C ATOM 43 CE LYS A 5 7.637 -7.867 -3.998 1.00 0.00 C ATOM 44 NZ LYS A 5 7.354 -7.455 -5.391 1.00 0.00 N ATOM 0 H LYS A 5 3.571 -10.934 -2.915 1.00 0.00 H new ATOM 0 HA LYS A 5 3.515 -8.677 -0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.638 -8.101 -1.832 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.666 -9.819 -1.486 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.268 -10.330 -3.889 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.173 -8.618 -4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.638 -9.699 -2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.459 -9.933 -4.589 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.140 -7.189 -3.304 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.707 -7.796 -3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.859 -6.570 -5.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.673 -8.199 -6.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.331 -7.306 -5.508 1.00 0.00 H new ATOM 58 N PHE A 6 2.997 -6.845 -2.626 1.00 0.00 N ATOM 59 CA PHE A 6 2.356 -5.845 -3.463 1.00 0.00 C ATOM 60 C PHE A 6 3.214 -4.581 -3.561 1.00 0.00 C ATOM 61 O PHE A 6 4.157 -4.405 -2.790 1.00 0.00 O ATOM 62 CB PHE A 6 1.025 -5.492 -2.798 1.00 0.00 C ATOM 63 CG PHE A 6 -0.024 -6.604 -2.876 1.00 0.00 C ATOM 64 CD1 PHE A 6 0.167 -7.766 -2.195 1.00 0.00 C ATOM 65 CD2 PHE A 6 -1.145 -6.431 -3.625 1.00 0.00 C ATOM 66 CE1 PHE A 6 -0.806 -8.798 -2.267 1.00 0.00 C ATOM 67 CE2 PHE A 6 -2.118 -7.462 -3.697 1.00 0.00 C ATOM 68 CZ PHE A 6 -1.927 -8.624 -3.017 1.00 0.00 C ATOM 0 H PHE A 6 3.430 -6.478 -1.778 1.00 0.00 H new ATOM 0 HA PHE A 6 2.216 -6.237 -4.470 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.207 -5.251 -1.751 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.623 -4.594 -3.267 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.058 -7.904 -1.600 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.296 -5.508 -4.166 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.656 -9.721 -1.726 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -3.009 -7.324 -4.291 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.666 -9.409 -3.073 1.00 0.00 H new ATOM 78 N ILE A 7 2.857 -3.735 -4.516 1.00 0.00 N ATOM 79 CA ILE A 7 3.581 -2.493 -4.725 1.00 0.00 C ATOM 80 C ILE A 7 2.588 -1.375 -5.047 1.00 0.00 C ATOM 81 O ILE A 7 2.214 -1.187 -6.202 1.00 0.00 O ATOM 82 CB ILE A 7 4.666 -2.679 -5.789 1.00 0.00 C ATOM 83 CG1 ILE A 7 5.093 -4.144 -5.888 1.00 0.00 C ATOM 84 CG2 ILE A 7 5.855 -1.752 -5.528 1.00 0.00 C ATOM 85 CD1 ILE A 7 6.102 -4.346 -7.019 1.00 0.00 C ATOM 0 H ILE A 7 2.075 -3.885 -5.154 1.00 0.00 H new ATOM 0 HA ILE A 7 4.105 -2.200 -3.815 1.00 0.00 H new ATOM 0 HB ILE A 7 4.246 -2.401 -6.756 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.532 -4.463 -4.943 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.218 -4.771 -6.060 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.611 -1.904 -6.298 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.519 -0.715 -5.549 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.283 -1.975 -4.551 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.389 -5.396 -7.067 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.651 -4.049 -7.966 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.986 -3.737 -6.831 1.00 0.00 H new ATOM 97 N VAL A 8 2.190 -0.662 -4.003 1.00 0.00 N ATOM 98 CA VAL A 8 1.247 0.432 -4.160 1.00 0.00 C ATOM 99 C VAL A 8 2.000 1.761 -4.097 1.00 0.00 C ATOM 100 O VAL A 8 3.122 1.820 -3.595 1.00 0.00 O ATOM 101 CB VAL A 8 0.138 0.322 -3.111 1.00 0.00 C ATOM 102 CG1 VAL A 8 -0.087 -1.135 -2.702 1.00 0.00 C ATOM 103 CG2 VAL A 8 0.451 1.192 -1.891 1.00 0.00 C ATOM 0 H VAL A 8 2.504 -0.821 -3.045 1.00 0.00 H new ATOM 0 HA VAL A 8 0.760 0.380 -5.134 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.785 0.690 -3.558 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.880 -1.185 -1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.375 -1.718 -3.577 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.833 -1.541 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.352 1.096 -1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.390 0.866 -1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.538 2.234 -2.200 1.00 0.00 H new ATOM 113 N ILE A 9 1.354 2.796 -4.614 1.00 0.00 N ATOM 114 CA ILE A 9 1.949 4.122 -4.623 1.00 0.00 C ATOM 115 C ILE A 9 0.878 5.160 -4.283 1.00 0.00 C ATOM 116 O ILE A 9 -0.301 4.957 -4.570 1.00 0.00 O ATOM 117 CB ILE A 9 2.657 4.383 -5.954 1.00 0.00 C ATOM 118 CG1 ILE A 9 4.160 4.581 -5.746 1.00 0.00 C ATOM 119 CG2 ILE A 9 2.021 5.561 -6.692 1.00 0.00 C ATOM 120 CD1 ILE A 9 4.908 3.249 -5.847 1.00 0.00 C ATOM 0 H ILE A 9 0.424 2.743 -5.030 1.00 0.00 H new ATOM 0 HA ILE A 9 2.721 4.197 -3.857 1.00 0.00 H new ATOM 0 HB ILE A 9 2.532 3.503 -6.585 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.546 5.276 -6.492 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.340 5.030 -4.769 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.543 5.725 -7.635 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.972 5.342 -6.892 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.093 6.458 -6.077 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.974 3.418 -5.695 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.537 2.565 -5.084 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.746 2.815 -6.834 1.00 0.00 H new ATOM 132 N PHE A 10 1.327 6.248 -3.674 1.00 0.00 N ATOM 133 CA PHE A 10 0.420 7.318 -3.292 1.00 0.00 C ATOM 134 C PHE A 10 0.628 8.553 -4.171 1.00 0.00 C ATOM 135 O PHE A 10 1.752 8.852 -4.574 1.00 0.00 O ATOM 136 CB PHE A 10 0.743 7.679 -1.841 1.00 0.00 C ATOM 137 CG PHE A 10 0.756 6.482 -0.889 1.00 0.00 C ATOM 138 CD1 PHE A 10 -0.400 5.821 -0.611 1.00 0.00 C ATOM 139 CD2 PHE A 10 1.924 6.077 -0.323 1.00 0.00 C ATOM 140 CE1 PHE A 10 -0.387 4.710 0.272 1.00 0.00 C ATOM 141 CE2 PHE A 10 1.937 4.965 0.561 1.00 0.00 C ATOM 142 CZ PHE A 10 0.781 4.305 0.840 1.00 0.00 C ATOM 0 H PHE A 10 2.305 6.412 -3.436 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.613 6.991 -3.410 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.717 8.167 -1.807 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.010 8.404 -1.486 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.327 6.142 -1.062 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.842 6.601 -0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.305 4.186 0.493 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.865 4.644 1.011 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.790 3.460 1.512 1.00 0.00 H new ATOM 152 N LYS A 11 -0.473 9.238 -4.444 1.00 0.00 N ATOM 153 CA LYS A 11 -0.425 10.434 -5.268 1.00 0.00 C ATOM 154 C LYS A 11 0.646 11.381 -4.724 1.00 0.00 C ATOM 155 O LYS A 11 1.326 11.061 -3.750 1.00 0.00 O ATOM 156 CB LYS A 11 -1.814 11.070 -5.370 1.00 0.00 C ATOM 157 CG LYS A 11 -2.368 11.402 -3.983 1.00 0.00 C ATOM 158 CD LYS A 11 -3.866 11.705 -4.050 1.00 0.00 C ATOM 159 CE LYS A 11 -4.144 12.889 -4.979 1.00 0.00 C ATOM 160 NZ LYS A 11 -5.547 12.859 -5.450 1.00 0.00 N ATOM 0 H LYS A 11 -1.403 8.988 -4.109 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.139 10.182 -6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.759 11.978 -5.970 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.493 10.389 -5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.192 10.565 -3.307 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.838 12.261 -3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.403 10.825 -4.405 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.241 11.926 -3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.950 13.824 -4.454 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.467 12.856 -5.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.659 13.514 -6.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.790 11.895 -5.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.179 13.147 -4.676 1.00 0.00 H new ATOM 174 N ASN A 12 0.764 12.528 -5.377 1.00 0.00 N ATOM 175 CA ASN A 12 1.741 13.523 -4.971 1.00 0.00 C ATOM 176 C ASN A 12 1.061 14.565 -4.081 1.00 0.00 C ATOM 177 O ASN A 12 1.393 15.749 -4.141 1.00 0.00 O ATOM 178 CB ASN A 12 2.327 14.247 -6.184 1.00 0.00 C ATOM 179 CG ASN A 12 3.851 14.346 -6.081 1.00 0.00 C ATOM 180 OD1 ASN A 12 4.549 13.369 -5.865 1.00 0.00 O ATOM 181 ND2 ASN A 12 4.325 15.577 -6.246 1.00 0.00 N ATOM 0 H ASN A 12 0.199 12.790 -6.185 1.00 0.00 H new ATOM 0 HA ASN A 12 2.541 13.011 -4.436 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.054 13.715 -7.096 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.898 15.246 -6.257 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.329 15.748 -6.195 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.684 16.351 -6.424 1.00 0.00 H new ATOM 188 N ASP A 13 0.122 14.090 -3.277 1.00 0.00 N ATOM 189 CA ASP A 13 -0.607 14.966 -2.377 1.00 0.00 C ATOM 190 C ASP A 13 -0.478 14.442 -0.945 1.00 0.00 C ATOM 191 O ASP A 13 -0.226 15.211 -0.019 1.00 0.00 O ATOM 192 CB ASP A 13 -2.094 15.007 -2.732 1.00 0.00 C ATOM 193 CG ASP A 13 -2.675 16.409 -2.927 1.00 0.00 C ATOM 194 OD1 ASP A 13 -2.334 17.026 -3.959 1.00 0.00 O ATOM 195 OD2 ASP A 13 -3.446 16.832 -2.038 1.00 0.00 O ATOM 0 H ASP A 13 -0.151 13.108 -3.230 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.186 15.967 -2.468 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.249 14.435 -3.647 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.654 14.505 -1.943 1.00 0.00 H new ATOM 200 N VAL A 14 -0.655 13.136 -0.809 1.00 0.00 N ATOM 201 CA VAL A 14 -0.561 12.499 0.494 1.00 0.00 C ATOM 202 C VAL A 14 0.574 13.145 1.291 1.00 0.00 C ATOM 203 O VAL A 14 1.547 13.627 0.713 1.00 0.00 O ATOM 204 CB VAL A 14 -0.391 10.988 0.327 1.00 0.00 C ATOM 205 CG1 VAL A 14 0.443 10.664 -0.913 1.00 0.00 C ATOM 206 CG2 VAL A 14 0.225 10.365 1.581 1.00 0.00 C ATOM 0 H VAL A 14 -0.863 12.501 -1.580 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.481 12.648 1.060 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.380 10.552 0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.549 9.583 -1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.054 11.060 -1.799 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.429 11.118 -0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.335 9.290 1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.203 10.809 1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.424 10.551 2.436 1.00 0.00 H new ATOM 216 N SER A 15 0.412 13.133 2.606 1.00 0.00 N ATOM 217 CA SER A 15 1.412 13.711 3.488 1.00 0.00 C ATOM 218 C SER A 15 2.428 12.644 3.898 1.00 0.00 C ATOM 219 O SER A 15 2.186 11.451 3.722 1.00 0.00 O ATOM 220 CB SER A 15 0.762 14.329 4.728 1.00 0.00 C ATOM 221 OG SER A 15 0.659 13.395 5.799 1.00 0.00 O ATOM 0 H SER A 15 -0.396 12.732 3.082 1.00 0.00 H new ATOM 0 HA SER A 15 1.927 14.505 2.947 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.347 15.190 5.053 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.231 14.697 4.471 1.00 0.00 H new ATOM 0 HG SER A 15 1.396 13.537 6.429 1.00 0.00 H new ATOM 227 N GLU A 16 3.544 13.111 4.439 1.00 0.00 N ATOM 228 CA GLU A 16 4.598 12.211 4.875 1.00 0.00 C ATOM 229 C GLU A 16 4.103 11.332 6.026 1.00 0.00 C ATOM 230 O GLU A 16 4.303 10.118 6.016 1.00 0.00 O ATOM 231 CB GLU A 16 5.852 12.989 5.280 1.00 0.00 C ATOM 232 CG GLU A 16 7.107 12.361 4.672 1.00 0.00 C ATOM 233 CD GLU A 16 7.293 12.804 3.219 1.00 0.00 C ATOM 234 OE1 GLU A 16 6.349 12.578 2.432 1.00 0.00 O ATOM 235 OE2 GLU A 16 8.375 13.358 2.928 1.00 0.00 O ATOM 0 H GLU A 16 3.741 14.101 4.585 1.00 0.00 H new ATOM 0 HA GLU A 16 4.866 11.565 4.039 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.764 14.025 4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.939 13.005 6.366 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.981 12.646 5.258 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.033 11.274 4.718 1.00 0.00 H new ATOM 242 N ASP A 17 3.467 11.980 6.991 1.00 0.00 N ATOM 243 CA ASP A 17 2.941 11.273 8.147 1.00 0.00 C ATOM 244 C ASP A 17 1.864 10.288 7.690 1.00 0.00 C ATOM 245 O ASP A 17 1.776 9.175 8.207 1.00 0.00 O ATOM 246 CB ASP A 17 2.303 12.244 9.143 1.00 0.00 C ATOM 247 CG ASP A 17 3.260 12.822 10.186 1.00 0.00 C ATOM 248 OD1 ASP A 17 4.149 12.061 10.624 1.00 0.00 O ATOM 249 OD2 ASP A 17 3.081 14.013 10.521 1.00 0.00 O ATOM 0 H ASP A 17 3.304 12.987 6.996 1.00 0.00 H new ATOM 0 HA ASP A 17 3.768 10.753 8.630 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.854 13.068 8.588 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.493 11.730 9.661 1.00 0.00 H new ATOM 254 N LYS A 18 1.071 10.732 6.725 1.00 0.00 N ATOM 255 CA LYS A 18 0.003 9.903 6.194 1.00 0.00 C ATOM 256 C LYS A 18 0.605 8.650 5.555 1.00 0.00 C ATOM 257 O LYS A 18 0.126 7.541 5.784 1.00 0.00 O ATOM 258 CB LYS A 18 -0.882 10.713 5.243 1.00 0.00 C ATOM 259 CG LYS A 18 -2.245 11.001 5.875 1.00 0.00 C ATOM 260 CD LYS A 18 -3.358 10.245 5.146 1.00 0.00 C ATOM 261 CE LYS A 18 -4.581 11.139 4.935 1.00 0.00 C ATOM 262 NZ LYS A 18 -5.821 10.333 4.942 1.00 0.00 N ATOM 0 H LYS A 18 1.147 11.655 6.298 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.654 9.568 6.997 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.388 11.652 4.991 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.018 10.164 4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.231 10.711 6.926 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.446 12.072 5.842 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.991 9.891 4.182 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.642 9.364 5.722 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.627 11.894 5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.491 11.670 3.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.641 10.956 4.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.782 9.629 4.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.913 9.846 5.856 1.00 0.00 H new ATOM 276 N ILE A 19 1.648 8.870 4.766 1.00 0.00 N ATOM 277 CA ILE A 19 2.321 7.772 4.092 1.00 0.00 C ATOM 278 C ILE A 19 2.744 6.728 5.127 1.00 0.00 C ATOM 279 O ILE A 19 2.347 5.567 5.040 1.00 0.00 O ATOM 280 CB ILE A 19 3.478 8.297 3.239 1.00 0.00 C ATOM 281 CG1 ILE A 19 3.226 8.031 1.753 1.00 0.00 C ATOM 282 CG2 ILE A 19 4.813 7.715 3.707 1.00 0.00 C ATOM 283 CD1 ILE A 19 4.239 8.779 0.884 1.00 0.00 C ATOM 0 H ILE A 19 2.043 9.792 4.579 1.00 0.00 H new ATOM 0 HA ILE A 19 1.642 7.276 3.398 1.00 0.00 H new ATOM 0 HB ILE A 19 3.536 9.378 3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.291 6.961 1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.215 8.343 1.490 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.618 8.104 3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.989 7.997 4.745 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.785 6.628 3.626 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.038 8.573 -0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.154 9.850 1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.247 8.447 1.133 1.00 0.00 H new ATOM 295 N ARG A 20 3.545 7.178 6.082 1.00 0.00 N ATOM 296 CA ARG A 20 4.027 6.296 7.132 1.00 0.00 C ATOM 297 C ARG A 20 2.849 5.664 7.876 1.00 0.00 C ATOM 298 O ARG A 20 2.952 4.542 8.370 1.00 0.00 O ATOM 299 CB ARG A 20 4.902 7.056 8.130 1.00 0.00 C ATOM 300 CG ARG A 20 6.275 7.368 7.530 1.00 0.00 C ATOM 301 CD ARG A 20 7.242 7.869 8.604 1.00 0.00 C ATOM 302 NE ARG A 20 8.428 8.486 7.968 1.00 0.00 N ATOM 303 CZ ARG A 20 9.446 7.792 7.444 1.00 0.00 C ATOM 304 NH1 ARG A 20 9.431 6.452 7.475 1.00 0.00 N ATOM 305 NH2 ARG A 20 10.481 8.436 6.887 1.00 0.00 N ATOM 0 H ARG A 20 3.872 8.142 6.151 1.00 0.00 H new ATOM 0 HA ARG A 20 4.625 5.516 6.661 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.408 7.984 8.419 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.024 6.464 9.037 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.682 6.473 7.059 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.172 8.121 6.749 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.743 8.596 9.244 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.551 7.041 9.242 1.00 0.00 H new ATOM 0 HE ARG A 20 8.472 9.504 7.926 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.644 5.960 7.898 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.207 5.924 7.076 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.494 9.456 6.862 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.256 7.907 6.488 1.00 0.00 H new ATOM 319 N GLU A 21 1.755 6.411 7.931 1.00 0.00 N ATOM 320 CA GLU A 21 0.559 5.936 8.607 1.00 0.00 C ATOM 321 C GLU A 21 -0.047 4.756 7.845 1.00 0.00 C ATOM 322 O GLU A 21 -0.057 3.631 8.342 1.00 0.00 O ATOM 323 CB GLU A 21 -0.460 7.065 8.771 1.00 0.00 C ATOM 324 CG GLU A 21 -0.100 7.961 9.958 1.00 0.00 C ATOM 325 CD GLU A 21 -1.238 8.003 10.979 1.00 0.00 C ATOM 326 OE1 GLU A 21 -2.339 8.444 10.585 1.00 0.00 O ATOM 327 OE2 GLU A 21 -0.982 7.592 12.132 1.00 0.00 O ATOM 0 H GLU A 21 1.672 7.340 7.519 1.00 0.00 H new ATOM 0 HA GLU A 21 0.838 5.594 9.604 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.497 7.661 7.859 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.455 6.644 8.917 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.808 7.591 10.435 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.114 8.970 9.605 1.00 0.00 H new ATOM 334 N THR A 22 -0.540 5.053 6.652 1.00 0.00 N ATOM 335 CA THR A 22 -1.147 4.030 5.817 1.00 0.00 C ATOM 336 C THR A 22 -0.366 2.719 5.927 1.00 0.00 C ATOM 337 O THR A 22 -0.959 1.643 5.991 1.00 0.00 O ATOM 338 CB THR A 22 -1.227 4.572 4.389 1.00 0.00 C ATOM 339 OG1 THR A 22 -2.197 5.613 4.466 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.839 3.564 3.413 1.00 0.00 C ATOM 0 H THR A 22 -0.532 5.988 6.243 1.00 0.00 H new ATOM 0 HA THR A 22 -2.159 3.797 6.149 1.00 0.00 H new ATOM 0 HB THR A 22 -0.228 4.846 4.049 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.310 6.021 3.582 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.872 3.999 2.414 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.231 2.660 3.395 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.850 3.315 3.734 1.00 0.00 H new ATOM 348 N LYS A 23 0.952 2.852 5.947 1.00 0.00 N ATOM 349 CA LYS A 23 1.821 1.692 6.048 1.00 0.00 C ATOM 350 C LYS A 23 1.582 0.997 7.391 1.00 0.00 C ATOM 351 O LYS A 23 1.278 -0.193 7.432 1.00 0.00 O ATOM 352 CB LYS A 23 3.278 2.091 5.812 1.00 0.00 C ATOM 353 CG LYS A 23 3.622 2.058 4.322 1.00 0.00 C ATOM 354 CD LYS A 23 5.097 2.394 4.091 1.00 0.00 C ATOM 355 CE LYS A 23 5.290 3.897 3.883 1.00 0.00 C ATOM 356 NZ LYS A 23 6.730 4.240 3.898 1.00 0.00 N ATOM 0 H LYS A 23 1.440 3.746 5.895 1.00 0.00 H new ATOM 0 HA LYS A 23 1.584 0.969 5.268 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.453 3.092 6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.937 1.414 6.356 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.403 1.070 3.917 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.995 2.770 3.785 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.687 2.063 4.945 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.465 1.852 3.220 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.848 4.199 2.934 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.770 4.449 4.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.841 5.274 3.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.171 3.850 4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.191 3.838 3.057 1.00 0.00 H new ATOM 370 N ASP A 24 1.730 1.772 8.455 1.00 0.00 N ATOM 371 CA ASP A 24 1.535 1.247 9.795 1.00 0.00 C ATOM 372 C ASP A 24 0.147 0.610 9.892 1.00 0.00 C ATOM 373 O ASP A 24 -0.009 -0.463 10.473 1.00 0.00 O ATOM 374 CB ASP A 24 1.617 2.361 10.841 1.00 0.00 C ATOM 375 CG ASP A 24 2.920 2.400 11.643 1.00 0.00 C ATOM 376 OD1 ASP A 24 3.812 1.589 11.317 1.00 0.00 O ATOM 377 OD2 ASP A 24 2.993 3.240 12.566 1.00 0.00 O ATOM 0 H ASP A 24 1.983 2.759 8.416 1.00 0.00 H new ATOM 0 HA ASP A 24 2.318 0.514 9.986 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.488 3.320 10.339 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.784 2.249 11.535 1.00 0.00 H new ATOM 382 N GLU A 25 -0.826 1.297 9.313 1.00 0.00 N ATOM 383 CA GLU A 25 -2.196 0.811 9.326 1.00 0.00 C ATOM 384 C GLU A 25 -2.254 -0.629 8.813 1.00 0.00 C ATOM 385 O GLU A 25 -3.012 -1.445 9.331 1.00 0.00 O ATOM 386 CB GLU A 25 -3.109 1.724 8.504 1.00 0.00 C ATOM 387 CG GLU A 25 -4.340 2.139 9.311 1.00 0.00 C ATOM 388 CD GLU A 25 -4.097 3.461 10.041 1.00 0.00 C ATOM 389 OE1 GLU A 25 -2.992 3.603 10.605 1.00 0.00 O ATOM 390 OE2 GLU A 25 -5.023 4.301 10.017 1.00 0.00 O ATOM 0 H GLU A 25 -0.694 2.186 8.832 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.556 0.823 10.355 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.557 2.611 8.193 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.422 1.209 7.596 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.198 2.239 8.646 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.585 1.360 10.033 1.00 0.00 H new ATOM 397 N VAL A 26 -1.441 -0.896 7.802 1.00 0.00 N ATOM 398 CA VAL A 26 -1.389 -2.223 7.212 1.00 0.00 C ATOM 399 C VAL A 26 -0.576 -3.148 8.121 1.00 0.00 C ATOM 400 O VAL A 26 -0.954 -4.298 8.339 1.00 0.00 O ATOM 401 CB VAL A 26 -0.834 -2.143 5.789 1.00 0.00 C ATOM 402 CG1 VAL A 26 0.568 -2.749 5.713 1.00 0.00 C ATOM 403 CG2 VAL A 26 -1.780 -2.820 4.794 1.00 0.00 C ATOM 0 H VAL A 26 -0.812 -0.215 7.376 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.391 -2.645 7.131 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.758 -1.090 5.516 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.940 -2.679 4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.236 -2.204 6.380 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.529 -3.796 6.014 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.363 -2.749 3.790 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.902 -3.869 5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.750 -2.324 4.819 1.00 0.00 H new ATOM 413 N ILE A 27 0.525 -2.611 8.626 1.00 0.00 N ATOM 414 CA ILE A 27 1.395 -3.373 9.504 1.00 0.00 C ATOM 415 C ILE A 27 0.558 -4.011 10.615 1.00 0.00 C ATOM 416 O ILE A 27 0.638 -5.217 10.843 1.00 0.00 O ATOM 417 CB ILE A 27 2.536 -2.495 10.021 1.00 0.00 C ATOM 418 CG1 ILE A 27 3.380 -1.955 8.866 1.00 0.00 C ATOM 419 CG2 ILE A 27 3.386 -3.249 11.047 1.00 0.00 C ATOM 420 CD1 ILE A 27 4.415 -2.986 8.412 1.00 0.00 C ATOM 0 H ILE A 27 0.834 -1.656 8.443 1.00 0.00 H new ATOM 0 HA ILE A 27 1.872 -4.186 8.956 1.00 0.00 H new ATOM 0 HB ILE A 27 2.101 -1.636 10.531 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.732 -1.693 8.030 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.885 -1.041 9.177 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.190 -2.603 11.399 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.762 -3.543 11.891 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.812 -4.139 10.583 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.001 -2.575 7.590 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.077 -3.228 9.244 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.906 -3.890 8.079 1.00 0.00 H new ATOM 432 N ALA A 28 -0.227 -3.173 11.276 1.00 0.00 N ATOM 433 CA ALA A 28 -1.077 -3.640 12.357 1.00 0.00 C ATOM 434 C ALA A 28 -2.262 -4.411 11.772 1.00 0.00 C ATOM 435 O ALA A 28 -2.466 -5.581 12.091 1.00 0.00 O ATOM 436 CB ALA A 28 -1.520 -2.450 13.210 1.00 0.00 C ATOM 0 H ALA A 28 -0.292 -2.173 11.084 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.529 -4.321 13.008 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.158 -2.801 14.021 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.643 -1.954 13.627 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.075 -1.745 12.591 1.00 0.00 H new ATOM 442 N GLU A 29 -3.014 -3.723 10.924 1.00 0.00 N ATOM 443 CA GLU A 29 -4.173 -4.329 10.291 1.00 0.00 C ATOM 444 C GLU A 29 -3.878 -5.784 9.923 1.00 0.00 C ATOM 445 O GLU A 29 -4.438 -6.704 10.517 1.00 0.00 O ATOM 446 CB GLU A 29 -4.605 -3.529 9.060 1.00 0.00 C ATOM 447 CG GLU A 29 -5.753 -4.227 8.328 1.00 0.00 C ATOM 448 CD GLU A 29 -7.098 -3.900 8.982 1.00 0.00 C ATOM 449 OE1 GLU A 29 -7.353 -4.462 10.068 1.00 0.00 O ATOM 450 OE2 GLU A 29 -7.840 -3.095 8.379 1.00 0.00 O ATOM 0 H GLU A 29 -2.843 -2.752 10.661 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.999 -4.316 11.002 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.916 -2.529 9.362 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.758 -3.408 8.385 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.767 -3.915 7.284 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.593 -5.305 8.336 1.00 0.00 H new ATOM 457 N GLY A 30 -2.997 -5.948 8.947 1.00 0.00 N ATOM 458 CA GLY A 30 -2.621 -7.276 8.493 1.00 0.00 C ATOM 459 C GLY A 30 -1.361 -7.222 7.626 1.00 0.00 C ATOM 460 O GLY A 30 -0.310 -7.726 8.020 1.00 0.00 O ATOM 0 H GLY A 30 -2.533 -5.183 8.458 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.448 -7.923 9.353 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.440 -7.715 7.924 1.00 0.00 H new ATOM 464 N GLY A 31 -1.509 -6.609 6.461 1.00 0.00 N ATOM 465 CA GLY A 31 -0.397 -6.484 5.535 1.00 0.00 C ATOM 466 C GLY A 31 0.897 -6.141 6.275 1.00 0.00 C ATOM 467 O GLY A 31 0.863 -5.731 7.435 1.00 0.00 O ATOM 0 H GLY A 31 -2.382 -6.193 6.137 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.270 -7.417 4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.616 -5.709 4.800 1.00 0.00 H new ATOM 471 N THR A 32 2.007 -6.320 5.575 1.00 0.00 N ATOM 472 CA THR A 32 3.310 -6.034 6.151 1.00 0.00 C ATOM 473 C THR A 32 4.131 -5.157 5.205 1.00 0.00 C ATOM 474 O THR A 32 3.669 -4.805 4.121 1.00 0.00 O ATOM 475 CB THR A 32 3.984 -7.368 6.483 1.00 0.00 C ATOM 476 OG1 THR A 32 2.973 -8.339 6.227 1.00 0.00 O ATOM 477 CG2 THR A 32 4.278 -7.521 7.976 1.00 0.00 C ATOM 0 H THR A 32 2.031 -6.660 4.614 1.00 0.00 H new ATOM 0 HA THR A 32 3.217 -5.462 7.074 1.00 0.00 H new ATOM 0 HB THR A 32 4.913 -7.455 5.920 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.324 -9.234 6.415 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.756 -8.484 8.156 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.943 -6.720 8.300 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.345 -7.468 8.538 1.00 0.00 H new ATOM 485 N ILE A 33 5.337 -4.831 5.648 1.00 0.00 N ATOM 486 CA ILE A 33 6.228 -4.002 4.853 1.00 0.00 C ATOM 487 C ILE A 33 7.638 -4.593 4.893 1.00 0.00 C ATOM 488 O ILE A 33 8.172 -4.863 5.967 1.00 0.00 O ATOM 489 CB ILE A 33 6.158 -2.545 5.316 1.00 0.00 C ATOM 490 CG1 ILE A 33 4.711 -2.050 5.353 1.00 0.00 C ATOM 491 CG2 ILE A 33 7.047 -1.651 4.449 1.00 0.00 C ATOM 492 CD1 ILE A 33 4.148 -1.896 3.939 1.00 0.00 C ATOM 0 H ILE A 33 5.718 -5.126 6.547 1.00 0.00 H new ATOM 0 HA ILE A 33 5.914 -3.996 3.809 1.00 0.00 H new ATOM 0 HB ILE A 33 6.543 -2.492 6.334 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.097 -2.751 5.918 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.663 -1.093 5.873 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.979 -0.621 4.799 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.081 -1.990 4.517 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.715 -1.704 3.412 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.118 -1.543 3.994 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.749 -1.176 3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.175 -2.859 3.430 1.00 0.00 H new ATOM 504 N THR A 34 8.201 -4.778 3.707 1.00 0.00 N ATOM 505 CA THR A 34 9.539 -5.332 3.593 1.00 0.00 C ATOM 506 C THR A 34 10.505 -4.283 3.037 1.00 0.00 C ATOM 507 O THR A 34 11.695 -4.306 3.345 1.00 0.00 O ATOM 508 CB THR A 34 9.455 -6.596 2.736 1.00 0.00 C ATOM 509 OG1 THR A 34 10.705 -7.246 2.951 1.00 0.00 O ATOM 510 CG2 THR A 34 9.450 -6.288 1.236 1.00 0.00 C ATOM 0 H THR A 34 7.755 -4.554 2.818 1.00 0.00 H new ATOM 0 HA THR A 34 9.937 -5.609 4.569 1.00 0.00 H new ATOM 0 HB THR A 34 8.554 -7.151 2.996 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.735 -8.077 2.433 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.389 -7.220 0.673 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.590 -5.662 0.996 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.367 -5.762 0.969 1.00 0.00 H new ATOM 518 N ASN A 35 9.956 -3.389 2.227 1.00 0.00 N ATOM 519 CA ASN A 35 10.754 -2.335 1.626 1.00 0.00 C ATOM 520 C ASN A 35 9.862 -1.123 1.347 1.00 0.00 C ATOM 521 O ASN A 35 8.638 -1.240 1.324 1.00 0.00 O ATOM 522 CB ASN A 35 11.359 -2.792 0.298 1.00 0.00 C ATOM 523 CG ASN A 35 12.873 -2.565 0.278 1.00 0.00 C ATOM 524 OD1 ASN A 35 13.458 -2.031 1.205 1.00 0.00 O ATOM 525 ND2 ASN A 35 13.470 -3.000 -0.828 1.00 0.00 N ATOM 0 H ASN A 35 8.968 -3.374 1.973 1.00 0.00 H new ATOM 0 HA ASN A 35 11.556 -2.082 2.319 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.144 -3.849 0.141 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.895 -2.247 -0.524 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.479 -2.895 -0.938 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.919 -3.438 -1.566 1.00 0.00 H new ATOM 532 N GLU A 36 10.511 0.014 1.143 1.00 0.00 N ATOM 533 CA GLU A 36 9.792 1.247 0.866 1.00 0.00 C ATOM 534 C GLU A 36 10.482 2.022 -0.258 1.00 0.00 C ATOM 535 O GLU A 36 11.609 1.704 -0.636 1.00 0.00 O ATOM 536 CB GLU A 36 9.668 2.103 2.127 1.00 0.00 C ATOM 537 CG GLU A 36 10.872 3.034 2.279 1.00 0.00 C ATOM 538 CD GLU A 36 12.154 2.236 2.528 1.00 0.00 C ATOM 539 OE1 GLU A 36 12.123 1.385 3.443 1.00 0.00 O ATOM 540 OE2 GLU A 36 13.135 2.496 1.800 1.00 0.00 O ATOM 0 H GLU A 36 11.526 0.108 1.164 1.00 0.00 H new ATOM 0 HA GLU A 36 8.784 0.992 0.539 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.752 2.692 2.082 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.590 1.458 3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.985 3.639 1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.702 3.723 3.106 1.00 0.00 H new ATOM 547 N TYR A 37 9.776 3.024 -0.762 1.00 0.00 N ATOM 548 CA TYR A 37 10.307 3.848 -1.835 1.00 0.00 C ATOM 549 C TYR A 37 10.212 5.334 -1.483 1.00 0.00 C ATOM 550 O TYR A 37 9.203 5.979 -1.767 1.00 0.00 O ATOM 551 CB TYR A 37 9.428 3.568 -3.055 1.00 0.00 C ATOM 552 CG TYR A 37 9.574 2.151 -3.615 1.00 0.00 C ATOM 553 CD1 TYR A 37 10.704 1.804 -4.328 1.00 0.00 C ATOM 554 CD2 TYR A 37 8.577 1.220 -3.405 1.00 0.00 C ATOM 555 CE1 TYR A 37 10.840 0.471 -4.855 1.00 0.00 C ATOM 556 CE2 TYR A 37 8.714 -0.113 -3.932 1.00 0.00 C ATOM 557 CZ TYR A 37 9.840 -0.422 -4.631 1.00 0.00 C ATOM 558 OH TYR A 37 9.970 -1.681 -5.128 1.00 0.00 O ATOM 0 H TYR A 37 8.841 3.284 -0.447 1.00 0.00 H new ATOM 0 HA TYR A 37 11.357 3.616 -2.014 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.385 3.735 -2.785 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.673 4.285 -3.839 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.485 2.532 -4.490 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.694 1.491 -2.845 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.718 0.187 -5.416 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.941 -0.851 -3.776 1.00 0.00 H new ATOM 0 HH TYR A 37 9.180 -2.210 -4.890 1.00 0.00 H new ATOM 568 N ASN A 38 11.275 5.834 -0.872 1.00 0.00 N ATOM 569 CA ASN A 38 11.324 7.233 -0.479 1.00 0.00 C ATOM 570 C ASN A 38 11.960 8.052 -1.604 1.00 0.00 C ATOM 571 O ASN A 38 13.133 8.411 -1.528 1.00 0.00 O ATOM 572 CB ASN A 38 12.173 7.421 0.781 1.00 0.00 C ATOM 573 CG ASN A 38 13.497 6.664 0.668 1.00 0.00 C ATOM 574 OD1 ASN A 38 13.941 6.293 -0.406 1.00 0.00 O ATOM 575 ND2 ASN A 38 14.101 6.455 1.835 1.00 0.00 N ATOM 0 H ASN A 38 12.110 5.296 -0.639 1.00 0.00 H new ATOM 0 HA ASN A 38 10.305 7.564 -0.280 1.00 0.00 H new ATOM 0 HB2 ASN A 38 12.369 8.482 0.937 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.621 7.067 1.652 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.991 5.957 1.867 1.00 0.00 H new ATOM 0 HD22 ASN A 38 13.674 6.793 2.698 1.00 0.00 H new ATOM 582 N MET A 39 11.157 8.322 -2.622 1.00 0.00 N ATOM 583 CA MET A 39 11.626 9.093 -3.762 1.00 0.00 C ATOM 584 C MET A 39 11.029 10.502 -3.754 1.00 0.00 C ATOM 585 O MET A 39 10.157 10.807 -2.941 1.00 0.00 O ATOM 586 CB MET A 39 11.233 8.379 -5.057 1.00 0.00 C ATOM 587 CG MET A 39 12.454 7.740 -5.722 1.00 0.00 C ATOM 588 SD MET A 39 11.987 6.207 -6.508 1.00 0.00 S ATOM 589 CE MET A 39 13.422 5.937 -7.536 1.00 0.00 C ATOM 0 H MET A 39 10.184 8.021 -2.682 1.00 0.00 H new ATOM 0 HA MET A 39 12.711 9.178 -3.698 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.488 7.613 -4.842 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.771 9.089 -5.743 1.00 0.00 H new ATOM 0 HG2 MET A 39 12.876 8.423 -6.459 1.00 0.00 H new ATOM 0 HG3 MET A 39 13.229 7.556 -4.978 1.00 0.00 H new ATOM 0 HE1 MET A 39 13.296 5.013 -8.101 1.00 0.00 H new ATOM 0 HE2 MET A 39 13.537 6.772 -8.227 1.00 0.00 H new ATOM 0 HE3 MET A 39 14.310 5.861 -6.908 1.00 0.00 H new ATOM 599 N PRO A 40 11.536 11.346 -4.692 1.00 0.00 N ATOM 600 CA PRO A 40 11.063 12.715 -4.801 1.00 0.00 C ATOM 601 C PRO A 40 9.679 12.767 -5.450 1.00 0.00 C ATOM 602 O PRO A 40 8.695 13.114 -4.799 1.00 0.00 O ATOM 603 CB PRO A 40 12.128 13.436 -5.611 1.00 0.00 C ATOM 604 CG PRO A 40 12.919 12.349 -6.319 1.00 0.00 C ATOM 605 CD PRO A 40 12.569 11.019 -5.671 1.00 0.00 C ATOM 0 HA PRO A 40 10.929 13.193 -3.830 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.676 14.121 -6.329 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.774 14.031 -4.965 1.00 0.00 H new ATOM 0 HG2 PRO A 40 12.676 12.331 -7.382 1.00 0.00 H new ATOM 0 HG3 PRO A 40 13.989 12.542 -6.239 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.204 10.303 -6.408 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.440 10.570 -5.193 1.00 0.00 H new ATOM 613 N GLY A 41 9.647 12.418 -6.729 1.00 0.00 N ATOM 614 CA GLY A 41 8.400 12.421 -7.475 1.00 0.00 C ATOM 615 C GLY A 41 7.648 11.100 -7.290 1.00 0.00 C ATOM 616 O GLY A 41 6.530 10.945 -7.780 1.00 0.00 O ATOM 0 H GLY A 41 10.465 12.131 -7.267 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.775 13.249 -7.142 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.605 12.582 -8.533 1.00 0.00 H new ATOM 620 N MET A 42 8.290 10.184 -6.580 1.00 0.00 N ATOM 621 CA MET A 42 7.696 8.884 -6.325 1.00 0.00 C ATOM 622 C MET A 42 7.656 8.585 -4.825 1.00 0.00 C ATOM 623 O MET A 42 8.679 8.657 -4.146 1.00 0.00 O ATOM 624 CB MET A 42 8.508 7.802 -7.040 1.00 0.00 C ATOM 625 CG MET A 42 7.883 6.421 -6.833 1.00 0.00 C ATOM 626 SD MET A 42 9.044 5.149 -7.302 1.00 0.00 S ATOM 627 CE MET A 42 8.282 4.576 -8.811 1.00 0.00 C ATOM 0 H MET A 42 9.216 10.317 -6.173 1.00 0.00 H new ATOM 0 HA MET A 42 6.674 8.892 -6.703 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.560 8.026 -8.106 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.531 7.802 -6.664 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.596 6.296 -5.789 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.973 6.332 -7.427 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.882 3.774 -9.240 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.281 4.204 -8.594 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.217 5.400 -9.521 1.00 0.00 H new ATOM 637 N LYS A 43 6.463 8.255 -4.351 1.00 0.00 N ATOM 638 CA LYS A 43 6.276 7.944 -2.945 1.00 0.00 C ATOM 639 C LYS A 43 5.415 6.687 -2.814 1.00 0.00 C ATOM 640 O LYS A 43 4.188 6.767 -2.829 1.00 0.00 O ATOM 641 CB LYS A 43 5.713 9.155 -2.199 1.00 0.00 C ATOM 642 CG LYS A 43 6.704 10.321 -2.219 1.00 0.00 C ATOM 643 CD LYS A 43 6.416 11.304 -1.082 1.00 0.00 C ATOM 644 CE LYS A 43 7.418 12.461 -1.091 1.00 0.00 C ATOM 645 NZ LYS A 43 6.972 13.525 -2.019 1.00 0.00 N ATOM 0 H LYS A 43 5.616 8.196 -4.917 1.00 0.00 H new ATOM 0 HA LYS A 43 7.234 7.724 -2.473 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.773 9.464 -2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.490 8.880 -1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.721 9.940 -2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.643 10.839 -3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.403 11.694 -1.182 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.464 10.784 -0.125 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.522 12.868 -0.085 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.401 12.097 -1.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.161 14.456 -1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.489 13.441 -2.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.952 13.426 -2.196 1.00 0.00 H new ATOM 659 N GLY A 44 6.092 5.554 -2.689 1.00 0.00 N ATOM 660 CA GLY A 44 5.403 4.282 -2.555 1.00 0.00 C ATOM 661 C GLY A 44 6.174 3.335 -1.633 1.00 0.00 C ATOM 662 O GLY A 44 7.140 3.741 -0.988 1.00 0.00 O ATOM 0 H GLY A 44 7.110 5.491 -2.678 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.402 4.447 -2.157 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.285 3.823 -3.537 1.00 0.00 H new ATOM 666 N PHE A 45 5.718 2.091 -1.600 1.00 0.00 N ATOM 667 CA PHE A 45 6.353 1.084 -0.767 1.00 0.00 C ATOM 668 C PHE A 45 6.025 -0.325 -1.265 1.00 0.00 C ATOM 669 O PHE A 45 5.052 -0.518 -1.994 1.00 0.00 O ATOM 670 CB PHE A 45 5.795 1.256 0.647 1.00 0.00 C ATOM 671 CG PHE A 45 4.359 0.755 0.814 1.00 0.00 C ATOM 672 CD1 PHE A 45 3.314 1.563 0.490 1.00 0.00 C ATOM 673 CD2 PHE A 45 4.127 -0.499 1.287 1.00 0.00 C ATOM 674 CE1 PHE A 45 1.982 1.097 0.645 1.00 0.00 C ATOM 675 CE2 PHE A 45 2.795 -0.965 1.442 1.00 0.00 C ATOM 676 CZ PHE A 45 1.750 -0.157 1.118 1.00 0.00 C ATOM 0 H PHE A 45 4.917 1.758 -2.136 1.00 0.00 H new ATOM 0 HA PHE A 45 7.436 1.207 -0.794 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.438 0.724 1.348 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.834 2.311 0.916 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.498 2.559 0.115 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.957 -1.141 1.545 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.152 1.739 0.387 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.611 -1.961 1.817 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.737 -0.511 1.236 1.00 0.00 H new ATOM 686 N ALA A 46 6.854 -1.273 -0.852 1.00 0.00 N ATOM 687 CA ALA A 46 6.664 -2.657 -1.247 1.00 0.00 C ATOM 688 C ALA A 46 6.722 -3.549 -0.005 1.00 0.00 C ATOM 689 O ALA A 46 7.539 -3.325 0.886 1.00 0.00 O ATOM 690 CB ALA A 46 7.715 -3.040 -2.290 1.00 0.00 C ATOM 0 H ALA A 46 7.659 -1.109 -0.247 1.00 0.00 H new ATOM 0 HA ALA A 46 5.685 -2.794 -1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.572 -4.079 -2.586 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.612 -2.396 -3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.711 -2.918 -1.865 1.00 0.00 H new ATOM 696 N GLY A 47 5.845 -4.543 0.013 1.00 0.00 N ATOM 697 CA GLY A 47 5.786 -5.469 1.130 1.00 0.00 C ATOM 698 C GLY A 47 4.704 -6.527 0.909 1.00 0.00 C ATOM 699 O GLY A 47 4.414 -6.896 -0.228 1.00 0.00 O ATOM 0 H GLY A 47 5.170 -4.727 -0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.754 -5.954 1.256 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.582 -4.922 2.050 1.00 0.00 H new ATOM 703 N GLU A 48 4.134 -6.985 2.014 1.00 0.00 N ATOM 704 CA GLU A 48 3.089 -7.993 1.956 1.00 0.00 C ATOM 705 C GLU A 48 1.713 -7.341 2.100 1.00 0.00 C ATOM 706 O GLU A 48 1.517 -6.478 2.954 1.00 0.00 O ATOM 707 CB GLU A 48 3.302 -9.066 3.026 1.00 0.00 C ATOM 708 CG GLU A 48 3.754 -10.386 2.397 1.00 0.00 C ATOM 709 CD GLU A 48 4.043 -11.435 3.472 1.00 0.00 C ATOM 710 OE1 GLU A 48 3.058 -11.926 4.065 1.00 0.00 O ATOM 711 OE2 GLU A 48 5.242 -11.723 3.677 1.00 0.00 O ATOM 0 H GLU A 48 4.376 -6.676 2.955 1.00 0.00 H new ATOM 0 HA GLU A 48 3.137 -8.482 0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.049 -8.726 3.743 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.376 -9.221 3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.981 -10.755 1.722 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.648 -10.219 1.797 1.00 0.00 H new ATOM 718 N LEU A 49 0.794 -7.778 1.250 1.00 0.00 N ATOM 719 CA LEU A 49 -0.557 -7.247 1.272 1.00 0.00 C ATOM 720 C LEU A 49 -1.550 -8.379 1.001 1.00 0.00 C ATOM 721 O LEU A 49 -1.177 -9.551 1.009 1.00 0.00 O ATOM 722 CB LEU A 49 -0.687 -6.071 0.302 1.00 0.00 C ATOM 723 CG LEU A 49 -0.506 -4.678 0.908 1.00 0.00 C ATOM 724 CD1 LEU A 49 0.213 -3.744 -0.068 1.00 0.00 C ATOM 725 CD2 LEU A 49 -1.846 -4.103 1.369 1.00 0.00 C ATOM 0 H LEU A 49 0.960 -8.494 0.542 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.792 -6.845 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.048 -6.198 -0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.671 -6.118 -0.164 1.00 0.00 H new ATOM 0 HG LEU A 49 0.127 -4.769 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.329 -2.761 0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.196 -4.152 -0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.372 -3.653 -0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.689 -3.112 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.522 -4.028 0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.283 -4.758 2.123 1.00 0.00 H new ATOM 737 N THR A 50 -2.795 -7.989 0.769 1.00 0.00 N ATOM 738 CA THR A 50 -3.844 -8.957 0.497 1.00 0.00 C ATOM 739 C THR A 50 -4.996 -8.296 -0.262 1.00 0.00 C ATOM 740 O THR A 50 -4.913 -7.124 -0.627 1.00 0.00 O ATOM 741 CB THR A 50 -4.270 -9.578 1.829 1.00 0.00 C ATOM 742 OG1 THR A 50 -3.305 -9.099 2.761 1.00 0.00 O ATOM 743 CG2 THR A 50 -4.088 -11.097 1.852 1.00 0.00 C ATOM 0 H THR A 50 -3.101 -7.016 0.764 1.00 0.00 H new ATOM 0 HA THR A 50 -3.486 -9.757 -0.152 1.00 0.00 H new ATOM 0 HB THR A 50 -5.314 -9.334 2.025 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.507 -9.453 3.652 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.405 -11.487 2.819 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.691 -11.548 1.064 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.038 -11.340 1.689 1.00 0.00 H new ATOM 751 N PRO A 51 -6.073 -9.096 -0.484 1.00 0.00 N ATOM 752 CA PRO A 51 -7.240 -8.601 -1.192 1.00 0.00 C ATOM 753 C PRO A 51 -8.070 -7.673 -0.303 1.00 0.00 C ATOM 754 O PRO A 51 -8.749 -6.775 -0.798 1.00 0.00 O ATOM 755 CB PRO A 51 -7.998 -9.847 -1.621 1.00 0.00 C ATOM 756 CG PRO A 51 -7.480 -10.974 -0.742 1.00 0.00 C ATOM 757 CD PRO A 51 -6.207 -10.490 -0.066 1.00 0.00 C ATOM 0 HA PRO A 51 -6.979 -7.992 -2.057 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.072 -9.714 -1.493 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.827 -10.064 -2.675 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.226 -11.251 0.003 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.281 -11.863 -1.340 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.278 -10.573 1.018 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.345 -11.081 -0.375 1.00 0.00 H new ATOM 765 N GLN A 52 -7.988 -7.923 0.996 1.00 0.00 N ATOM 766 CA GLN A 52 -8.722 -7.121 1.960 1.00 0.00 C ATOM 767 C GLN A 52 -8.115 -5.721 2.059 1.00 0.00 C ATOM 768 O GLN A 52 -8.803 -4.724 1.846 1.00 0.00 O ATOM 769 CB GLN A 52 -8.754 -7.803 3.329 1.00 0.00 C ATOM 770 CG GLN A 52 -9.596 -6.999 4.322 1.00 0.00 C ATOM 771 CD GLN A 52 -9.380 -7.496 5.753 1.00 0.00 C ATOM 772 OE1 GLN A 52 -10.254 -8.077 6.375 1.00 0.00 O ATOM 773 NE2 GLN A 52 -8.170 -7.236 6.238 1.00 0.00 N ATOM 0 H GLN A 52 -7.425 -8.669 1.403 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.751 -7.025 1.614 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.164 -8.808 3.229 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.738 -7.909 3.710 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.333 -5.943 4.256 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.651 -7.081 4.060 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.485 -6.745 5.663 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.927 -7.527 7.185 1.00 0.00 H new ATOM 782 N SER A 53 -6.830 -5.690 2.384 1.00 0.00 N ATOM 783 CA SER A 53 -6.121 -4.428 2.513 1.00 0.00 C ATOM 784 C SER A 53 -6.265 -3.612 1.227 1.00 0.00 C ATOM 785 O SER A 53 -6.383 -2.389 1.274 1.00 0.00 O ATOM 786 CB SER A 53 -4.642 -4.658 2.834 1.00 0.00 C ATOM 787 OG SER A 53 -4.399 -4.682 4.237 1.00 0.00 O ATOM 0 H SER A 53 -6.262 -6.518 2.562 1.00 0.00 H new ATOM 0 HA SER A 53 -6.562 -3.871 3.339 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.318 -5.601 2.394 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.045 -3.870 2.376 1.00 0.00 H new ATOM 0 HG SER A 53 -3.549 -5.136 4.414 1.00 0.00 H new ATOM 793 N LEU A 54 -6.250 -4.322 0.109 1.00 0.00 N ATOM 794 CA LEU A 54 -6.378 -3.680 -1.188 1.00 0.00 C ATOM 795 C LEU A 54 -7.642 -2.818 -1.204 1.00 0.00 C ATOM 796 O LEU A 54 -7.563 -1.593 -1.136 1.00 0.00 O ATOM 797 CB LEU A 54 -6.329 -4.720 -2.308 1.00 0.00 C ATOM 798 CG LEU A 54 -5.078 -4.697 -3.190 1.00 0.00 C ATOM 799 CD1 LEU A 54 -3.809 -4.823 -2.346 1.00 0.00 C ATOM 800 CD2 LEU A 54 -5.154 -5.773 -4.276 1.00 0.00 C ATOM 0 H LEU A 54 -6.151 -5.337 0.074 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.535 -3.013 -1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.416 -5.710 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.202 -4.580 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.033 -3.732 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.935 -4.804 -2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.756 -3.992 -1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.830 -5.763 -1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.253 -5.736 -4.889 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.235 -6.755 -3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.027 -5.596 -4.903 1.00 0.00 H new ATOM 812 N THR A 55 -8.779 -3.493 -1.293 1.00 0.00 N ATOM 813 CA THR A 55 -10.058 -2.804 -1.318 1.00 0.00 C ATOM 814 C THR A 55 -10.034 -1.601 -0.374 1.00 0.00 C ATOM 815 O THR A 55 -10.712 -0.603 -0.618 1.00 0.00 O ATOM 816 CB THR A 55 -11.149 -3.822 -0.978 1.00 0.00 C ATOM 817 OG1 THR A 55 -11.250 -4.627 -2.149 1.00 0.00 O ATOM 818 CG2 THR A 55 -12.531 -3.177 -0.848 1.00 0.00 C ATOM 0 H THR A 55 -8.841 -4.510 -1.349 1.00 0.00 H new ATOM 0 HA THR A 55 -10.269 -2.397 -2.307 1.00 0.00 H new ATOM 0 HB THR A 55 -10.896 -4.328 -0.047 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.935 -5.315 -2.015 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.268 -3.942 -0.606 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.510 -2.429 -0.055 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.800 -2.699 -1.790 1.00 0.00 H new ATOM 826 N LYS A 56 -9.246 -1.733 0.682 1.00 0.00 N ATOM 827 CA LYS A 56 -9.125 -0.668 1.664 1.00 0.00 C ATOM 828 C LYS A 56 -8.708 0.624 0.959 1.00 0.00 C ATOM 829 O LYS A 56 -9.495 1.565 0.864 1.00 0.00 O ATOM 830 CB LYS A 56 -8.180 -1.085 2.793 1.00 0.00 C ATOM 831 CG LYS A 56 -8.657 -0.533 4.138 1.00 0.00 C ATOM 832 CD LYS A 56 -8.177 0.904 4.342 1.00 0.00 C ATOM 833 CE LYS A 56 -6.650 0.986 4.291 1.00 0.00 C ATOM 834 NZ LYS A 56 -6.155 2.026 5.219 1.00 0.00 N ATOM 0 H LYS A 56 -8.685 -2.561 0.880 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.087 -0.477 2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.123 -2.172 2.842 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.174 -0.722 2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.746 -0.566 4.183 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.285 -1.163 4.946 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.605 1.547 3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.533 1.277 5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.219 0.020 4.555 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.326 1.213 3.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.117 2.068 5.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.552 2.949 4.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.448 1.793 6.189 1.00 0.00 H new ATOM 848 N PHE A 57 -7.472 0.628 0.482 1.00 0.00 N ATOM 849 CA PHE A 57 -6.941 1.790 -0.211 1.00 0.00 C ATOM 850 C PHE A 57 -7.190 1.691 -1.717 1.00 0.00 C ATOM 851 O PHE A 57 -6.725 2.532 -2.485 1.00 0.00 O ATOM 852 CB PHE A 57 -5.434 1.813 0.045 1.00 0.00 C ATOM 853 CG PHE A 57 -4.759 0.446 -0.085 1.00 0.00 C ATOM 854 CD1 PHE A 57 -4.518 -0.080 -1.315 1.00 0.00 C ATOM 855 CD2 PHE A 57 -4.401 -0.244 1.031 1.00 0.00 C ATOM 856 CE1 PHE A 57 -3.892 -1.349 -1.436 1.00 0.00 C ATOM 857 CE2 PHE A 57 -3.775 -1.513 0.911 1.00 0.00 C ATOM 858 CZ PHE A 57 -3.534 -2.038 -0.320 1.00 0.00 C ATOM 0 H PHE A 57 -6.823 -0.155 0.562 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.429 2.695 0.152 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.967 2.505 -0.656 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.252 2.203 1.047 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.803 0.468 -2.201 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.593 0.173 2.009 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.701 -1.766 -2.414 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.490 -2.061 1.797 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.058 -3.003 -0.411 1.00 0.00 H new ATOM 868 N GLN A 58 -7.924 0.654 -2.097 1.00 0.00 N ATOM 869 CA GLN A 58 -8.240 0.433 -3.497 1.00 0.00 C ATOM 870 C GLN A 58 -9.561 1.116 -3.857 1.00 0.00 C ATOM 871 O GLN A 58 -9.708 1.653 -4.954 1.00 0.00 O ATOM 872 CB GLN A 58 -8.289 -1.062 -3.819 1.00 0.00 C ATOM 873 CG GLN A 58 -6.908 -1.582 -4.222 1.00 0.00 C ATOM 874 CD GLN A 58 -7.016 -2.597 -5.361 1.00 0.00 C ATOM 875 OE1 GLN A 58 -8.091 -3.024 -5.748 1.00 0.00 O ATOM 876 NE2 GLN A 58 -5.844 -2.962 -5.874 1.00 0.00 N ATOM 0 H GLN A 58 -8.309 -0.042 -1.458 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.449 0.875 -4.102 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -8.650 -1.613 -2.950 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -8.999 -1.240 -4.627 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.278 -0.748 -4.531 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.425 -2.045 -3.362 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.980 -2.566 -5.504 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.810 -3.638 -6.637 1.00 0.00 H new ATOM 885 N GLY A 59 -10.489 1.072 -2.913 1.00 0.00 N ATOM 886 CA GLY A 59 -11.794 1.679 -3.117 1.00 0.00 C ATOM 887 C GLY A 59 -11.703 3.205 -3.057 1.00 0.00 C ATOM 888 O GLY A 59 -12.485 3.903 -3.701 1.00 0.00 O ATOM 0 H GLY A 59 -10.364 0.625 -2.005 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.195 1.373 -4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.488 1.322 -2.356 1.00 0.00 H new ATOM 892 N LEU A 60 -10.741 3.679 -2.278 1.00 0.00 N ATOM 893 CA LEU A 60 -10.539 5.110 -2.126 1.00 0.00 C ATOM 894 C LEU A 60 -9.455 5.574 -3.102 1.00 0.00 C ATOM 895 O LEU A 60 -9.124 6.757 -3.151 1.00 0.00 O ATOM 896 CB LEU A 60 -10.240 5.456 -0.666 1.00 0.00 C ATOM 897 CG LEU A 60 -8.785 5.800 -0.342 1.00 0.00 C ATOM 898 CD1 LEU A 60 -8.550 7.311 -0.412 1.00 0.00 C ATOM 899 CD2 LEU A 60 -8.372 5.218 1.011 1.00 0.00 C ATOM 0 H LEU A 60 -10.093 3.098 -1.746 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.450 5.653 -2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.865 6.301 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.540 4.612 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.149 5.340 -1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.508 7.528 -0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.778 7.669 -1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.196 7.813 0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.333 5.477 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.010 5.628 1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.478 4.133 0.988 1.00 0.00 H new ATOM 911 N GLN A 61 -8.932 4.616 -3.854 1.00 0.00 N ATOM 912 CA GLN A 61 -7.893 4.911 -4.826 1.00 0.00 C ATOM 913 C GLN A 61 -8.190 6.233 -5.536 1.00 0.00 C ATOM 914 O GLN A 61 -9.325 6.707 -5.525 1.00 0.00 O ATOM 915 CB GLN A 61 -7.744 3.770 -5.833 1.00 0.00 C ATOM 916 CG GLN A 61 -6.364 3.797 -6.493 1.00 0.00 C ATOM 917 CD GLN A 61 -5.692 2.426 -6.417 1.00 0.00 C ATOM 918 OE1 GLN A 61 -5.390 1.912 -5.352 1.00 0.00 O ATOM 919 NE2 GLN A 61 -5.474 1.862 -7.602 1.00 0.00 N ATOM 0 H GLN A 61 -9.209 3.635 -3.810 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.946 5.010 -4.296 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.892 2.815 -5.330 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.518 3.851 -6.596 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.462 4.101 -7.535 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -5.737 4.541 -6.002 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.751 2.346 -8.456 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.030 0.946 -7.657 1.00 0.00 H new ATOM 928 N GLY A 62 -7.150 6.793 -6.137 1.00 0.00 N ATOM 929 CA GLY A 62 -7.285 8.052 -6.850 1.00 0.00 C ATOM 930 C GLY A 62 -7.046 9.240 -5.916 1.00 0.00 C ATOM 931 O GLY A 62 -6.363 10.194 -6.282 1.00 0.00 O ATOM 0 H GLY A 62 -6.210 6.398 -6.145 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.573 8.085 -7.675 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.282 8.122 -7.286 1.00 0.00 H new ATOM 935 N ASP A 63 -7.623 9.143 -4.728 1.00 0.00 N ATOM 936 CA ASP A 63 -7.482 10.198 -3.738 1.00 0.00 C ATOM 937 C ASP A 63 -6.467 9.763 -2.678 1.00 0.00 C ATOM 938 O ASP A 63 -6.383 10.368 -1.610 1.00 0.00 O ATOM 939 CB ASP A 63 -8.811 10.475 -3.035 1.00 0.00 C ATOM 940 CG ASP A 63 -9.162 11.956 -2.876 1.00 0.00 C ATOM 941 OD1 ASP A 63 -9.331 12.615 -3.924 1.00 0.00 O ATOM 942 OD2 ASP A 63 -9.253 12.395 -1.709 1.00 0.00 O ATOM 0 H ASP A 63 -8.190 8.350 -4.428 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.152 11.101 -4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.609 9.986 -3.593 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.785 10.015 -2.047 1.00 0.00 H new ATOM 947 N LEU A 64 -5.722 8.720 -3.010 1.00 0.00 N ATOM 948 CA LEU A 64 -4.718 8.197 -2.099 1.00 0.00 C ATOM 949 C LEU A 64 -3.676 7.408 -2.894 1.00 0.00 C ATOM 950 O LEU A 64 -2.535 7.845 -3.037 1.00 0.00 O ATOM 951 CB LEU A 64 -5.377 7.392 -0.979 1.00 0.00 C ATOM 952 CG LEU A 64 -4.454 6.460 -0.189 1.00 0.00 C ATOM 953 CD1 LEU A 64 -3.398 7.256 0.579 1.00 0.00 C ATOM 954 CD2 LEU A 64 -5.259 5.540 0.730 1.00 0.00 C ATOM 0 H LEU A 64 -5.793 8.222 -3.898 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.191 9.013 -1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.840 8.090 -0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.180 6.795 -1.412 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.925 5.823 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.756 6.570 1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.795 7.832 -0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.890 7.934 1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.579 4.889 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.833 6.142 1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.939 4.933 0.132 1.00 0.00 H new ATOM 966 N ILE A 65 -4.106 6.256 -3.390 1.00 0.00 N ATOM 967 CA ILE A 65 -3.226 5.401 -4.167 1.00 0.00 C ATOM 968 C ILE A 65 -3.149 5.925 -5.603 1.00 0.00 C ATOM 969 O ILE A 65 -4.175 6.122 -6.252 1.00 0.00 O ATOM 970 CB ILE A 65 -3.673 3.942 -4.068 1.00 0.00 C ATOM 971 CG1 ILE A 65 -3.662 3.462 -2.616 1.00 0.00 C ATOM 972 CG2 ILE A 65 -2.825 3.046 -4.974 1.00 0.00 C ATOM 973 CD1 ILE A 65 -2.230 3.265 -2.114 1.00 0.00 C ATOM 0 H ILE A 65 -5.052 5.896 -3.268 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.214 5.429 -3.763 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.702 3.876 -4.421 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.175 4.188 -1.985 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.212 2.524 -2.535 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.164 2.014 -4.885 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.928 3.373 -6.009 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.779 3.112 -4.675 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.251 2.924 -1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.727 2.521 -2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.690 4.210 -2.173 1.00 0.00 H new ATOM 985 N ASP A 66 -1.923 6.136 -6.058 1.00 0.00 N ATOM 986 CA ASP A 66 -1.698 6.633 -7.404 1.00 0.00 C ATOM 987 C ASP A 66 -1.646 5.452 -8.376 1.00 0.00 C ATOM 988 O ASP A 66 -2.188 5.527 -9.479 1.00 0.00 O ATOM 989 CB ASP A 66 -0.369 7.383 -7.500 1.00 0.00 C ATOM 990 CG ASP A 66 -0.447 8.752 -8.180 1.00 0.00 C ATOM 991 OD1 ASP A 66 -1.561 9.318 -8.190 1.00 0.00 O ATOM 992 OD2 ASP A 66 0.610 9.201 -8.674 1.00 0.00 O ATOM 0 H ASP A 66 -1.074 5.971 -5.517 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.513 7.312 -7.653 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.030 7.516 -6.494 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.342 6.763 -8.046 1.00 0.00 H new ATOM 997 N SER A 67 -0.989 4.391 -7.934 1.00 0.00 N ATOM 998 CA SER A 67 -0.861 3.196 -8.751 1.00 0.00 C ATOM 999 C SER A 67 -0.712 1.963 -7.857 1.00 0.00 C ATOM 1000 O SER A 67 0.038 1.986 -6.883 1.00 0.00 O ATOM 1001 CB SER A 67 0.332 3.308 -9.704 1.00 0.00 C ATOM 1002 OG SER A 67 0.207 4.418 -10.588 1.00 0.00 O ATOM 0 H SER A 67 -0.539 4.333 -7.020 1.00 0.00 H new ATOM 0 HA SER A 67 -1.765 3.093 -9.352 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.250 3.407 -9.125 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.419 2.390 -10.285 1.00 0.00 H new ATOM 0 HG SER A 67 0.988 4.456 -11.178 1.00 0.00 H new ATOM 1008 N ILE A 68 -1.439 0.916 -8.220 1.00 0.00 N ATOM 1009 CA ILE A 68 -1.397 -0.323 -7.463 1.00 0.00 C ATOM 1010 C ILE A 68 -0.801 -1.428 -8.336 1.00 0.00 C ATOM 1011 O ILE A 68 -1.189 -1.590 -9.492 1.00 0.00 O ATOM 1012 CB ILE A 68 -2.782 -0.657 -6.907 1.00 0.00 C ATOM 1013 CG1 ILE A 68 -2.677 -1.313 -5.530 1.00 0.00 C ATOM 1014 CG2 ILE A 68 -3.575 -1.518 -7.893 1.00 0.00 C ATOM 1015 CD1 ILE A 68 -3.517 -0.559 -4.497 1.00 0.00 C ATOM 0 H ILE A 68 -2.060 0.901 -9.029 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.747 -0.218 -6.594 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.332 0.275 -6.778 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.012 -2.349 -5.590 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.635 -1.333 -5.212 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.556 -1.741 -7.474 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.696 -0.978 -8.832 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.038 -2.449 -8.077 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.424 -1.047 -3.527 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.164 0.469 -4.421 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.562 -0.562 -4.806 1.00 0.00 H new ATOM 1027 N GLU A 69 0.134 -2.162 -7.750 1.00 0.00 N ATOM 1028 CA GLU A 69 0.788 -3.249 -8.460 1.00 0.00 C ATOM 1029 C GLU A 69 0.683 -4.546 -7.656 1.00 0.00 C ATOM 1030 O GLU A 69 1.676 -5.026 -7.111 1.00 0.00 O ATOM 1031 CB GLU A 69 2.248 -2.907 -8.761 1.00 0.00 C ATOM 1032 CG GLU A 69 2.664 -3.439 -10.134 1.00 0.00 C ATOM 1033 CD GLU A 69 4.179 -3.343 -10.322 1.00 0.00 C ATOM 1034 OE1 GLU A 69 4.684 -2.201 -10.295 1.00 0.00 O ATOM 1035 OE2 GLU A 69 4.798 -4.416 -10.490 1.00 0.00 O ATOM 0 H GLU A 69 0.454 -2.025 -6.791 1.00 0.00 H new ATOM 0 HA GLU A 69 0.279 -3.393 -9.413 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.386 -1.826 -8.729 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.891 -3.334 -7.991 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.346 -4.476 -10.238 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.160 -2.871 -10.916 1.00 0.00 H new ATOM 1042 N GLU A 70 -0.529 -5.079 -7.608 1.00 0.00 N ATOM 1043 CA GLU A 70 -0.777 -6.313 -6.880 1.00 0.00 C ATOM 1044 C GLU A 70 -0.007 -7.469 -7.519 1.00 0.00 C ATOM 1045 O GLU A 70 -0.164 -7.743 -8.708 1.00 0.00 O ATOM 1046 CB GLU A 70 -2.274 -6.620 -6.815 1.00 0.00 C ATOM 1047 CG GLU A 70 -2.519 -8.121 -6.647 1.00 0.00 C ATOM 1048 CD GLU A 70 -4.007 -8.415 -6.450 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -4.815 -7.690 -7.069 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -4.303 -9.359 -5.684 1.00 0.00 O ATOM 0 H GLU A 70 -1.351 -4.679 -8.061 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.422 -6.187 -5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.724 -6.079 -5.983 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.761 -6.268 -7.724 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.153 -8.653 -7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.955 -8.492 -5.791 1.00 0.00 H new ATOM 1057 N ASP A 71 0.810 -8.118 -6.701 1.00 0.00 N ATOM 1058 CA ASP A 71 1.606 -9.240 -7.172 1.00 0.00 C ATOM 1059 C ASP A 71 1.247 -10.488 -6.364 1.00 0.00 C ATOM 1060 O ASP A 71 1.912 -11.517 -6.477 1.00 0.00 O ATOM 1061 CB ASP A 71 3.100 -8.970 -6.988 1.00 0.00 C ATOM 1062 CG ASP A 71 4.025 -9.869 -7.810 1.00 0.00 C ATOM 1063 OD1 ASP A 71 3.572 -10.317 -8.886 1.00 0.00 O ATOM 1064 OD2 ASP A 71 5.164 -10.089 -7.345 1.00 0.00 O ATOM 0 H ASP A 71 0.938 -7.888 -5.715 1.00 0.00 H new ATOM 0 HA ASP A 71 1.394 -9.384 -8.231 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.301 -7.931 -7.250 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.348 -9.087 -5.933 1.00 0.00 H new ATOM 1069 N GLY A 72 0.197 -10.356 -5.566 1.00 0.00 N ATOM 1070 CA GLY A 72 -0.258 -11.461 -4.739 1.00 0.00 C ATOM 1071 C GLY A 72 -1.003 -12.502 -5.578 1.00 0.00 C ATOM 1072 O GLY A 72 -1.599 -12.169 -6.601 1.00 0.00 O ATOM 0 H GLY A 72 -0.351 -9.501 -5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.596 -11.928 -4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.913 -11.086 -3.952 1.00 0.00 H new