USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 664 hydrogens (35 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 SER OG : rot 167:sc= 1.17 USER MOD Set 1.2: A 48 THR OG1 : rot 85:sc= 2.25 USER MOD Single : A 1 MET CE :methyl 157:sc= -0.201 (180deg=-0.904) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0844 USER MOD Single : A 6 THR OG1 : rot -118:sc= 1.29 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0218 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 119:sc= 0.377 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 13:sc= -1.07! USER MOD Single : A 46 MET CE :methyl 133:sc= -0.3 (180deg=-1.17) USER MOD Single : A 54 SER OG : rot 95:sc= 0.0102 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -1.11! X(o=-1.1!,f=-1.4) USER MOD Single : A 87 SXO O33 : rot 10:sc= 0.768 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.617 16.186 0.590 1.00 3.98 N ATOM 2 CA MET A 1 -16.588 15.098 0.847 1.00 3.18 C ATOM 3 C MET A 1 -16.041 14.138 1.892 1.00 2.64 C ATOM 4 O MET A 1 -16.503 14.100 3.034 1.00 2.90 O ATOM 5 CB MET A 1 -16.879 14.332 -0.447 1.00 3.46 C ATOM 6 CG MET A 1 -17.878 13.196 -0.279 1.00 3.84 C ATOM 7 SD MET A 1 -18.023 12.173 -1.759 1.00 4.73 S ATOM 8 CE MET A 1 -16.361 11.510 -1.880 1.00 5.02 C ATOM 0 H1 MET A 1 -16.003 16.834 -0.126 1.00 3.98 H new ATOM 0 H2 MET A 1 -15.440 16.709 1.471 1.00 3.98 H new ATOM 0 H3 MET A 1 -14.724 15.780 0.243 1.00 3.98 H new ATOM 0 HA MET A 1 -17.512 15.542 1.218 1.00 3.18 H new ATOM 0 HB2 MET A 1 -17.259 15.030 -1.193 1.00 3.46 H new ATOM 0 HB3 MET A 1 -15.945 13.927 -0.836 1.00 3.46 H new ATOM 0 HG2 MET A 1 -17.574 12.572 0.561 1.00 3.84 H new ATOM 0 HG3 MET A 1 -18.855 13.610 -0.031 1.00 3.84 H new ATOM 0 HE1 MET A 1 -16.380 10.584 -2.455 1.00 5.02 H new ATOM 0 HE2 MET A 1 -15.716 12.234 -2.378 1.00 5.02 H new ATOM 0 HE3 MET A 1 -15.976 11.308 -0.880 1.00 5.02 H new ATOM 20 N ALA A 2 -15.036 13.376 1.488 1.00 2.32 N ATOM 21 CA ALA A 2 -14.425 12.373 2.338 1.00 1.93 C ATOM 22 C ALA A 2 -13.088 11.962 1.750 1.00 1.46 C ATOM 23 O ALA A 2 -13.019 11.537 0.592 1.00 1.43 O ATOM 24 CB ALA A 2 -15.342 11.163 2.484 1.00 2.06 C ATOM 0 H ALA A 2 -14.622 13.438 0.558 1.00 2.32 H new ATOM 0 HA ALA A 2 -14.265 12.794 3.331 1.00 1.93 H new ATOM 0 HB1 ALA A 2 -14.866 10.421 3.125 1.00 2.06 H new ATOM 0 HB2 ALA A 2 -16.287 11.474 2.929 1.00 2.06 H new ATOM 0 HB3 ALA A 2 -15.529 10.728 1.502 1.00 2.06 H new ATOM 30 N THR A 3 -12.031 12.107 2.533 1.00 1.35 N ATOM 31 CA THR A 3 -10.691 11.804 2.060 1.00 1.09 C ATOM 32 C THR A 3 -10.463 10.302 1.951 1.00 0.90 C ATOM 33 O THR A 3 -10.315 9.605 2.956 1.00 1.14 O ATOM 34 CB THR A 3 -9.639 12.428 2.995 1.00 1.49 C ATOM 35 OG1 THR A 3 -10.083 12.337 4.357 1.00 2.10 O ATOM 36 CG2 THR A 3 -9.386 13.884 2.629 1.00 2.10 C ATOM 0 H THR A 3 -12.076 12.433 3.499 1.00 1.35 H new ATOM 0 HA THR A 3 -10.588 12.235 1.064 1.00 1.09 H new ATOM 0 HB THR A 3 -8.705 11.877 2.881 1.00 1.49 H new ATOM 0 HG1 THR A 3 -9.409 12.734 4.948 1.00 2.10 H new ATOM 0 HG21 THR A 3 -8.639 14.304 3.303 1.00 2.10 H new ATOM 0 HG22 THR A 3 -9.023 13.943 1.603 1.00 2.10 H new ATOM 0 HG23 THR A 3 -10.314 14.448 2.719 1.00 2.10 H new ATOM 44 N LEU A 4 -10.461 9.818 0.719 1.00 0.64 N ATOM 45 CA LEU A 4 -10.168 8.422 0.437 1.00 0.51 C ATOM 46 C LEU A 4 -8.667 8.184 0.505 1.00 0.45 C ATOM 47 O LEU A 4 -7.902 9.088 0.840 1.00 0.52 O ATOM 48 CB LEU A 4 -10.683 8.047 -0.959 1.00 0.57 C ATOM 49 CG LEU A 4 -12.179 8.274 -1.192 1.00 0.58 C ATOM 50 CD1 LEU A 4 -12.536 8.003 -2.646 1.00 0.88 C ATOM 51 CD2 LEU A 4 -13.009 7.397 -0.265 1.00 0.84 C ATOM 0 H LEU A 4 -10.661 10.378 -0.109 1.00 0.64 H new ATOM 0 HA LEU A 4 -10.667 7.802 1.182 1.00 0.51 H new ATOM 0 HB2 LEU A 4 -10.126 8.622 -1.699 1.00 0.57 H new ATOM 0 HB3 LEU A 4 -10.460 6.995 -1.139 1.00 0.57 H new ATOM 0 HG LEU A 4 -12.407 9.316 -0.967 1.00 0.58 H new ATOM 0 HD11 LEU A 4 -13.603 8.169 -2.796 1.00 0.88 H new ATOM 0 HD12 LEU A 4 -11.970 8.675 -3.291 1.00 0.88 H new ATOM 0 HD13 LEU A 4 -12.291 6.970 -2.894 1.00 0.88 H new ATOM 0 HD21 LEU A 4 -14.069 7.575 -0.448 1.00 0.84 H new ATOM 0 HD22 LEU A 4 -12.779 6.348 -0.454 1.00 0.84 H new ATOM 0 HD23 LEU A 4 -12.774 7.639 0.772 1.00 0.84 H new ATOM 63 N LEU A 5 -8.246 6.979 0.169 1.00 0.39 N ATOM 64 CA LEU A 5 -6.828 6.674 0.133 1.00 0.35 C ATOM 65 C LEU A 5 -6.269 7.201 -1.179 1.00 0.35 C ATOM 66 O LEU A 5 -6.732 6.819 -2.252 1.00 0.41 O ATOM 67 CB LEU A 5 -6.601 5.156 0.244 1.00 0.38 C ATOM 68 CG LEU A 5 -5.273 4.724 0.887 1.00 0.58 C ATOM 69 CD1 LEU A 5 -5.230 3.215 1.052 1.00 1.00 C ATOM 70 CD2 LEU A 5 -4.072 5.195 0.077 1.00 0.98 C ATOM 0 H LEU A 5 -8.858 6.202 -0.081 1.00 0.39 H new ATOM 0 HA LEU A 5 -6.320 7.146 0.974 1.00 0.35 H new ATOM 0 HB2 LEU A 5 -7.419 4.726 0.822 1.00 0.38 H new ATOM 0 HB3 LEU A 5 -6.656 4.725 -0.756 1.00 0.38 H new ATOM 0 HG LEU A 5 -5.218 5.195 1.869 1.00 0.58 H new ATOM 0 HD11 LEU A 5 -4.283 2.926 1.508 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -6.054 2.895 1.690 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -5.322 2.739 0.076 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -3.154 4.869 0.565 1.00 0.98 H new ATOM 0 HD22 LEU A 5 -4.120 4.770 -0.926 1.00 0.98 H new ATOM 0 HD23 LEU A 5 -4.082 6.283 0.011 1.00 0.98 H new ATOM 82 N THR A 6 -5.287 8.079 -1.092 1.00 0.39 N ATOM 83 CA THR A 6 -4.710 8.682 -2.279 1.00 0.49 C ATOM 84 C THR A 6 -3.215 8.385 -2.347 1.00 0.42 C ATOM 85 O THR A 6 -2.593 8.064 -1.333 1.00 0.41 O ATOM 86 CB THR A 6 -4.961 10.211 -2.323 1.00 0.69 C ATOM 87 OG1 THR A 6 -4.438 10.777 -3.537 1.00 1.21 O ATOM 88 CG2 THR A 6 -4.337 10.905 -1.124 1.00 1.03 C ATOM 0 H THR A 6 -4.873 8.390 -0.213 1.00 0.39 H new ATOM 0 HA THR A 6 -5.200 8.243 -3.148 1.00 0.49 H new ATOM 0 HB THR A 6 -6.039 10.368 -2.292 1.00 0.69 H new ATOM 0 HG1 THR A 6 -3.738 11.428 -3.320 1.00 1.21 H new ATOM 0 HG21 THR A 6 -4.530 11.976 -1.183 1.00 1.03 H new ATOM 0 HG22 THR A 6 -4.772 10.508 -0.207 1.00 1.03 H new ATOM 0 HG23 THR A 6 -3.261 10.730 -1.121 1.00 1.03 H new ATOM 96 N THR A 7 -2.655 8.493 -3.545 1.00 0.47 N ATOM 97 CA THR A 7 -1.249 8.191 -3.789 1.00 0.45 C ATOM 98 C THR A 7 -0.328 9.010 -2.877 1.00 0.34 C ATOM 99 O THR A 7 0.728 8.535 -2.453 1.00 0.33 O ATOM 100 CB THR A 7 -0.904 8.467 -5.264 1.00 0.59 C ATOM 101 OG1 THR A 7 -1.984 8.027 -6.103 1.00 1.30 O ATOM 102 CG2 THR A 7 0.374 7.753 -5.664 1.00 1.06 C ATOM 0 H THR A 7 -3.163 8.793 -4.377 1.00 0.47 H new ATOM 0 HA THR A 7 -1.090 7.136 -3.565 1.00 0.45 H new ATOM 0 HB THR A 7 -0.754 9.540 -5.388 1.00 0.59 H new ATOM 0 HG1 THR A 7 -1.763 8.205 -7.041 1.00 1.30 H new ATOM 0 HG21 THR A 7 0.596 7.964 -6.710 1.00 1.06 H new ATOM 0 HG22 THR A 7 1.197 8.103 -5.041 1.00 1.06 H new ATOM 0 HG23 THR A 7 0.248 6.679 -5.529 1.00 1.06 H new ATOM 110 N ASP A 8 -0.753 10.233 -2.572 1.00 0.41 N ATOM 111 CA ASP A 8 0.006 11.136 -1.709 1.00 0.46 C ATOM 112 C ASP A 8 0.237 10.502 -0.344 1.00 0.40 C ATOM 113 O ASP A 8 1.374 10.278 0.074 1.00 0.48 O ATOM 114 CB ASP A 8 -0.768 12.442 -1.510 1.00 0.64 C ATOM 115 CG ASP A 8 -1.352 12.994 -2.793 1.00 1.36 C ATOM 116 OD1 ASP A 8 -2.358 12.442 -3.280 1.00 2.19 O ATOM 117 OD2 ASP A 8 -0.786 13.970 -3.335 1.00 1.63 O ATOM 0 H ASP A 8 -1.630 10.626 -2.914 1.00 0.41 H new ATOM 0 HA ASP A 8 0.965 11.335 -2.188 1.00 0.46 H new ATOM 0 HB2 ASP A 8 -1.574 12.273 -0.795 1.00 0.64 H new ATOM 0 HB3 ASP A 8 -0.104 13.187 -1.072 1.00 0.64 H new ATOM 122 N ASP A 9 -0.863 10.212 0.337 1.00 0.40 N ATOM 123 CA ASP A 9 -0.829 9.624 1.671 1.00 0.44 C ATOM 124 C ASP A 9 -0.277 8.208 1.640 1.00 0.38 C ATOM 125 O ASP A 9 0.325 7.750 2.611 1.00 0.44 O ATOM 126 CB ASP A 9 -2.227 9.635 2.288 1.00 0.58 C ATOM 127 CG ASP A 9 -2.671 11.032 2.681 1.00 0.86 C ATOM 128 OD1 ASP A 9 -3.094 11.793 1.785 1.00 1.12 O ATOM 129 OD2 ASP A 9 -2.623 11.364 3.886 1.00 1.12 O ATOM 0 H ASP A 9 -1.805 10.377 -0.019 1.00 0.40 H new ATOM 0 HA ASP A 9 -0.163 10.228 2.287 1.00 0.44 H new ATOM 0 HB2 ASP A 9 -2.939 9.216 1.577 1.00 0.58 H new ATOM 0 HB3 ASP A 9 -2.239 8.991 3.168 1.00 0.58 H new ATOM 134 N LEU A 10 -0.480 7.517 0.526 1.00 0.35 N ATOM 135 CA LEU A 10 0.073 6.180 0.351 1.00 0.37 C ATOM 136 C LEU A 10 1.595 6.237 0.420 1.00 0.37 C ATOM 137 O LEU A 10 2.228 5.414 1.076 1.00 0.42 O ATOM 138 CB LEU A 10 -0.369 5.587 -0.992 1.00 0.42 C ATOM 139 CG LEU A 10 0.043 4.130 -1.239 1.00 0.58 C ATOM 140 CD1 LEU A 10 -0.615 3.209 -0.225 1.00 1.08 C ATOM 141 CD2 LEU A 10 -0.321 3.705 -2.654 1.00 0.79 C ATOM 0 H LEU A 10 -1.022 7.859 -0.268 1.00 0.35 H new ATOM 0 HA LEU A 10 -0.299 5.540 1.151 1.00 0.37 H new ATOM 0 HB2 LEU A 10 -1.455 5.656 -1.060 1.00 0.42 H new ATOM 0 HB3 LEU A 10 0.040 6.203 -1.793 1.00 0.42 H new ATOM 0 HG LEU A 10 1.124 4.056 -1.122 1.00 0.58 H new ATOM 0 HD11 LEU A 10 -0.311 2.180 -0.417 1.00 1.08 H new ATOM 0 HD12 LEU A 10 -0.308 3.497 0.781 1.00 1.08 H new ATOM 0 HD13 LEU A 10 -1.699 3.289 -0.311 1.00 1.08 H new ATOM 0 HD21 LEU A 10 -0.021 2.669 -2.811 1.00 0.79 H new ATOM 0 HD22 LEU A 10 -1.398 3.797 -2.796 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.195 4.345 -3.370 1.00 0.79 H new ATOM 153 N ARG A 11 2.165 7.232 -0.257 1.00 0.37 N ATOM 154 CA ARG A 11 3.604 7.469 -0.244 1.00 0.45 C ATOM 155 C ARG A 11 4.120 7.651 1.187 1.00 0.48 C ATOM 156 O ARG A 11 5.244 7.268 1.507 1.00 0.60 O ATOM 157 CB ARG A 11 3.932 8.700 -1.102 1.00 0.52 C ATOM 158 CG ARG A 11 5.406 9.077 -1.120 1.00 0.67 C ATOM 159 CD ARG A 11 5.710 10.093 -2.210 1.00 0.85 C ATOM 160 NE ARG A 11 4.986 11.352 -2.026 1.00 1.04 N ATOM 161 CZ ARG A 11 5.304 12.488 -2.653 1.00 1.36 C ATOM 162 NH1 ARG A 11 6.334 12.519 -3.493 1.00 1.64 N ATOM 163 NH2 ARG A 11 4.583 13.587 -2.457 1.00 2.17 N ATOM 0 H ARG A 11 1.642 7.895 -0.829 1.00 0.37 H new ATOM 0 HA ARG A 11 4.106 6.598 -0.665 1.00 0.45 H new ATOM 0 HB2 ARG A 11 3.604 8.513 -2.125 1.00 0.52 H new ATOM 0 HB3 ARG A 11 3.356 9.549 -0.733 1.00 0.52 H new ATOM 0 HG2 ARG A 11 5.689 9.487 -0.150 1.00 0.67 H new ATOM 0 HG3 ARG A 11 6.009 8.183 -1.277 1.00 0.67 H new ATOM 0 HD2 ARG A 11 6.781 10.294 -2.226 1.00 0.85 H new ATOM 0 HD3 ARG A 11 5.451 9.668 -3.180 1.00 0.85 H new ATOM 0 HE ARG A 11 4.194 11.362 -1.383 1.00 1.04 H new ATOM 0 HH11 ARG A 11 6.882 11.675 -3.659 1.00 1.64 H new ATOM 0 HH12 ARG A 11 6.576 13.387 -3.971 1.00 1.64 H new ATOM 0 HH21 ARG A 11 3.782 13.566 -1.825 1.00 2.17 H new ATOM 0 HH22 ARG A 11 4.830 14.452 -2.938 1.00 2.17 H new ATOM 177 N ARG A 12 3.281 8.221 2.045 1.00 0.43 N ATOM 178 CA ARG A 12 3.637 8.426 3.445 1.00 0.46 C ATOM 179 C ARG A 12 3.526 7.134 4.246 1.00 0.44 C ATOM 180 O ARG A 12 4.404 6.822 5.044 1.00 0.46 O ATOM 181 CB ARG A 12 2.748 9.497 4.071 1.00 0.53 C ATOM 182 CG ARG A 12 3.229 10.913 3.808 1.00 0.91 C ATOM 183 CD ARG A 12 4.557 11.184 4.499 1.00 1.49 C ATOM 184 NE ARG A 12 4.458 11.020 5.951 1.00 2.06 N ATOM 185 CZ ARG A 12 5.494 10.756 6.747 1.00 2.93 C ATOM 186 NH1 ARG A 12 6.707 10.586 6.231 1.00 3.32 N ATOM 187 NH2 ARG A 12 5.312 10.655 8.055 1.00 3.66 N ATOM 0 H ARG A 12 2.348 8.550 1.795 1.00 0.43 H new ATOM 0 HA ARG A 12 4.675 8.757 3.473 1.00 0.46 H new ATOM 0 HB2 ARG A 12 1.735 9.388 3.684 1.00 0.53 H new ATOM 0 HB3 ARG A 12 2.698 9.333 5.147 1.00 0.53 H new ATOM 0 HG2 ARG A 12 3.337 11.069 2.735 1.00 0.91 H new ATOM 0 HG3 ARG A 12 2.482 11.624 4.160 1.00 0.91 H new ATOM 0 HD2 ARG A 12 5.315 10.506 4.108 1.00 1.49 H new ATOM 0 HD3 ARG A 12 4.886 12.197 4.269 1.00 1.49 H new ATOM 0 HE ARG A 12 3.538 11.114 6.380 1.00 2.06 H new ATOM 0 HH11 ARG A 12 6.847 10.657 5.223 1.00 3.32 H new ATOM 0 HH12 ARG A 12 7.498 10.384 6.843 1.00 3.32 H new ATOM 0 HH21 ARG A 12 4.380 10.779 8.451 1.00 3.66 H new ATOM 0 HH22 ARG A 12 6.103 10.453 8.666 1.00 3.66 H new ATOM 201 N ALA A 13 2.460 6.377 4.000 1.00 0.43 N ATOM 202 CA ALA A 13 2.155 5.181 4.784 1.00 0.44 C ATOM 203 C ALA A 13 3.263 4.137 4.695 1.00 0.43 C ATOM 204 O ALA A 13 3.569 3.469 5.683 1.00 0.47 O ATOM 205 CB ALA A 13 0.836 4.579 4.327 1.00 0.49 C ATOM 0 H ALA A 13 1.788 6.572 3.258 1.00 0.43 H new ATOM 0 HA ALA A 13 2.076 5.487 5.827 1.00 0.44 H new ATOM 0 HB1 ALA A 13 0.618 3.689 4.917 1.00 0.49 H new ATOM 0 HB2 ALA A 13 0.037 5.308 4.462 1.00 0.49 H new ATOM 0 HB3 ALA A 13 0.905 4.308 3.274 1.00 0.49 H new ATOM 211 N LEU A 14 3.858 4.005 3.517 1.00 0.41 N ATOM 212 CA LEU A 14 4.962 3.071 3.318 1.00 0.45 C ATOM 213 C LEU A 14 6.164 3.464 4.177 1.00 0.47 C ATOM 214 O LEU A 14 6.866 2.609 4.718 1.00 0.53 O ATOM 215 CB LEU A 14 5.369 3.006 1.839 1.00 0.49 C ATOM 216 CG LEU A 14 4.558 2.040 0.956 1.00 0.51 C ATOM 217 CD1 LEU A 14 4.694 0.611 1.454 1.00 0.79 C ATOM 218 CD2 LEU A 14 3.094 2.442 0.897 1.00 0.70 C ATOM 0 H LEU A 14 3.596 4.532 2.684 1.00 0.41 H new ATOM 0 HA LEU A 14 4.621 2.082 3.625 1.00 0.45 H new ATOM 0 HB2 LEU A 14 5.288 4.007 1.416 1.00 0.49 H new ATOM 0 HB3 LEU A 14 6.420 2.721 1.784 1.00 0.49 H new ATOM 0 HG LEU A 14 4.965 2.097 -0.054 1.00 0.51 H new ATOM 0 HD11 LEU A 14 4.113 -0.054 0.815 1.00 0.79 H new ATOM 0 HD12 LEU A 14 5.743 0.315 1.427 1.00 0.79 H new ATOM 0 HD13 LEU A 14 4.324 0.546 2.477 1.00 0.79 H new ATOM 0 HD21 LEU A 14 2.549 1.740 0.266 1.00 0.70 H new ATOM 0 HD22 LEU A 14 2.672 2.429 1.902 1.00 0.70 H new ATOM 0 HD23 LEU A 14 3.009 3.446 0.481 1.00 0.70 H new ATOM 230 N VAL A 15 6.392 4.764 4.313 1.00 0.50 N ATOM 231 CA VAL A 15 7.474 5.257 5.153 1.00 0.57 C ATOM 232 C VAL A 15 7.114 5.081 6.627 1.00 0.60 C ATOM 233 O VAL A 15 7.954 4.709 7.444 1.00 0.71 O ATOM 234 CB VAL A 15 7.786 6.743 4.878 1.00 0.60 C ATOM 235 CG1 VAL A 15 8.940 7.218 5.755 1.00 0.70 C ATOM 236 CG2 VAL A 15 8.113 6.961 3.406 1.00 0.60 C ATOM 0 H VAL A 15 5.845 5.492 3.855 1.00 0.50 H new ATOM 0 HA VAL A 15 8.363 4.674 4.913 1.00 0.57 H new ATOM 0 HB VAL A 15 6.900 7.329 5.123 1.00 0.60 H new ATOM 0 HG11 VAL A 15 9.146 8.268 5.548 1.00 0.70 H new ATOM 0 HG12 VAL A 15 8.671 7.101 6.805 1.00 0.70 H new ATOM 0 HG13 VAL A 15 9.829 6.624 5.540 1.00 0.70 H new ATOM 0 HG21 VAL A 15 8.330 8.015 3.234 1.00 0.60 H new ATOM 0 HG22 VAL A 15 8.982 6.363 3.134 1.00 0.60 H new ATOM 0 HG23 VAL A 15 7.261 6.661 2.796 1.00 0.60 H new ATOM 246 N GLU A 16 5.853 5.336 6.950 1.00 0.59 N ATOM 247 CA GLU A 16 5.363 5.215 8.320 1.00 0.70 C ATOM 248 C GLU A 16 5.504 3.782 8.832 1.00 0.75 C ATOM 249 O GLU A 16 5.842 3.564 9.999 1.00 0.92 O ATOM 250 CB GLU A 16 3.902 5.663 8.393 1.00 0.86 C ATOM 251 CG GLU A 16 3.701 7.145 8.111 1.00 0.96 C ATOM 252 CD GLU A 16 2.235 7.531 8.031 1.00 1.17 C ATOM 253 OE1 GLU A 16 1.451 7.119 8.915 1.00 1.49 O ATOM 254 OE2 GLU A 16 1.860 8.249 7.084 1.00 1.28 O ATOM 0 H GLU A 16 5.145 5.630 6.277 1.00 0.59 H new ATOM 0 HA GLU A 16 5.968 5.860 8.958 1.00 0.70 H new ATOM 0 HB2 GLU A 16 3.318 5.084 7.678 1.00 0.86 H new ATOM 0 HB3 GLU A 16 3.510 5.435 9.384 1.00 0.86 H new ATOM 0 HG2 GLU A 16 4.184 7.729 8.894 1.00 0.96 H new ATOM 0 HG3 GLU A 16 4.192 7.402 7.173 1.00 0.96 H new ATOM 261 N SER A 17 5.263 2.806 7.961 1.00 0.68 N ATOM 262 CA SER A 17 5.375 1.406 8.345 1.00 0.78 C ATOM 263 C SER A 17 6.835 0.960 8.389 1.00 0.80 C ATOM 264 O SER A 17 7.237 0.219 9.287 1.00 1.05 O ATOM 265 CB SER A 17 4.577 0.530 7.381 1.00 0.81 C ATOM 266 OG SER A 17 4.890 0.834 6.032 1.00 1.25 O ATOM 0 H SER A 17 4.990 2.959 6.990 1.00 0.68 H new ATOM 0 HA SER A 17 4.962 1.295 9.348 1.00 0.78 H new ATOM 0 HB2 SER A 17 4.791 -0.520 7.579 1.00 0.81 H new ATOM 0 HB3 SER A 17 3.510 0.676 7.551 1.00 0.81 H new ATOM 0 HG SER A 17 4.535 0.132 5.448 1.00 1.25 H new ATOM 272 N ALA A 18 7.624 1.421 7.424 1.00 0.74 N ATOM 273 CA ALA A 18 9.041 1.088 7.375 1.00 0.87 C ATOM 274 C ALA A 18 9.789 1.738 8.532 1.00 1.11 C ATOM 275 O ALA A 18 10.426 1.058 9.335 1.00 1.68 O ATOM 276 CB ALA A 18 9.645 1.513 6.044 1.00 1.09 C ATOM 0 H ALA A 18 7.306 2.026 6.667 1.00 0.74 H new ATOM 0 HA ALA A 18 9.139 0.007 7.469 1.00 0.87 H new ATOM 0 HB1 ALA A 18 10.704 1.256 6.026 1.00 1.09 H new ATOM 0 HB2 ALA A 18 9.133 0.998 5.231 1.00 1.09 H new ATOM 0 HB3 ALA A 18 9.531 2.590 5.920 1.00 1.09 H new ATOM 282 N GLY A 19 9.706 3.059 8.611 1.00 1.18 N ATOM 283 CA GLY A 19 10.368 3.783 9.674 1.00 1.63 C ATOM 284 C GLY A 19 11.789 4.181 9.316 1.00 1.60 C ATOM 285 O GLY A 19 12.373 5.056 9.958 1.00 2.14 O ATOM 0 H GLY A 19 9.189 3.643 7.954 1.00 1.18 H new ATOM 0 HA2 GLY A 19 9.793 4.678 9.911 1.00 1.63 H new ATOM 0 HA3 GLY A 19 10.383 3.167 10.573 1.00 1.63 H new ATOM 289 N GLU A 20 12.341 3.546 8.291 1.00 1.86 N ATOM 290 CA GLU A 20 13.704 3.825 7.866 1.00 2.28 C ATOM 291 C GLU A 20 13.703 4.842 6.727 1.00 2.06 C ATOM 292 O GLU A 20 12.799 4.847 5.890 1.00 2.51 O ATOM 293 CB GLU A 20 14.407 2.532 7.437 1.00 3.28 C ATOM 294 CG GLU A 20 15.880 2.721 7.119 1.00 4.13 C ATOM 295 CD GLU A 20 16.642 3.320 8.283 1.00 4.94 C ATOM 296 OE1 GLU A 20 16.642 4.562 8.419 1.00 5.32 O ATOM 297 OE2 GLU A 20 17.259 2.551 9.050 1.00 5.47 O ATOM 0 H GLU A 20 11.864 2.833 7.738 1.00 1.86 H new ATOM 0 HA GLU A 20 14.253 4.248 8.707 1.00 2.28 H new ATOM 0 HB2 GLU A 20 14.307 1.792 8.231 1.00 3.28 H new ATOM 0 HB3 GLU A 20 13.903 2.127 6.559 1.00 3.28 H new ATOM 0 HG2 GLU A 20 16.320 1.759 6.855 1.00 4.13 H new ATOM 0 HG3 GLU A 20 15.982 3.368 6.248 1.00 4.13 H new ATOM 304 N THR A 21 14.724 5.688 6.700 1.00 2.21 N ATOM 305 CA THR A 21 14.791 6.785 5.743 1.00 2.61 C ATOM 306 C THR A 21 16.148 6.809 5.036 1.00 2.53 C ATOM 307 O THR A 21 16.618 7.864 4.611 1.00 3.19 O ATOM 308 CB THR A 21 14.575 8.134 6.459 1.00 3.61 C ATOM 309 OG1 THR A 21 13.781 7.939 7.641 1.00 3.97 O ATOM 310 CG2 THR A 21 13.883 9.131 5.543 1.00 4.47 C ATOM 0 H THR A 21 15.522 5.635 7.334 1.00 2.21 H new ATOM 0 HA THR A 21 14.005 6.631 5.004 1.00 2.61 H new ATOM 0 HB THR A 21 15.551 8.533 6.734 1.00 3.61 H new ATOM 0 HG1 THR A 21 13.649 8.799 8.092 1.00 3.97 H new ATOM 0 HG21 THR A 21 13.742 10.074 6.072 1.00 4.47 H new ATOM 0 HG22 THR A 21 14.497 9.299 4.658 1.00 4.47 H new ATOM 0 HG23 THR A 21 12.913 8.736 5.242 1.00 4.47 H new ATOM 318 N ASP A 22 16.757 5.638 4.890 1.00 2.22 N ATOM 319 CA ASP A 22 18.096 5.551 4.315 1.00 2.50 C ATOM 320 C ASP A 22 18.039 5.446 2.795 1.00 2.35 C ATOM 321 O ASP A 22 18.386 6.389 2.087 1.00 2.83 O ATOM 322 CB ASP A 22 18.854 4.357 4.896 1.00 3.16 C ATOM 323 CG ASP A 22 20.335 4.421 4.585 1.00 3.77 C ATOM 324 OD1 ASP A 22 21.060 5.146 5.302 1.00 4.01 O ATOM 325 OD2 ASP A 22 20.784 3.752 3.636 1.00 4.40 O ATOM 0 H ASP A 22 16.350 4.742 5.159 1.00 2.22 H new ATOM 0 HA ASP A 22 18.628 6.467 4.573 1.00 2.50 H new ATOM 0 HB2 ASP A 22 18.711 4.327 5.976 1.00 3.16 H new ATOM 0 HB3 ASP A 22 18.438 3.433 4.494 1.00 3.16 H new ATOM 330 N GLY A 23 17.581 4.306 2.295 1.00 2.30 N ATOM 331 CA GLY A 23 17.500 4.117 0.859 1.00 2.50 C ATOM 332 C GLY A 23 16.068 4.035 0.381 1.00 2.18 C ATOM 333 O GLY A 23 15.802 3.974 -0.820 1.00 2.54 O ATOM 0 H GLY A 23 17.266 3.513 2.854 1.00 2.30 H new ATOM 0 HA2 GLY A 23 18.004 4.942 0.355 1.00 2.50 H new ATOM 0 HA3 GLY A 23 18.028 3.204 0.583 1.00 2.50 H new ATOM 337 N THR A 24 15.141 4.047 1.324 1.00 1.95 N ATOM 338 CA THR A 24 13.727 3.940 1.011 1.00 2.00 C ATOM 339 C THR A 24 13.091 5.306 0.759 1.00 1.78 C ATOM 340 O THR A 24 12.328 5.810 1.584 1.00 1.91 O ATOM 341 CB THR A 24 12.980 3.223 2.153 1.00 2.29 C ATOM 342 OG1 THR A 24 13.585 3.560 3.412 1.00 3.02 O ATOM 343 CG2 THR A 24 13.000 1.714 1.954 1.00 2.19 C ATOM 0 H THR A 24 15.345 4.130 2.320 1.00 1.95 H new ATOM 0 HA THR A 24 13.643 3.357 0.094 1.00 2.00 H new ATOM 0 HB THR A 24 11.941 3.553 2.148 1.00 2.29 H new ATOM 0 HG1 THR A 24 12.926 4.009 3.982 1.00 3.02 H new ATOM 0 HG21 THR A 24 12.466 1.232 2.773 1.00 2.19 H new ATOM 0 HG22 THR A 24 12.516 1.465 1.009 1.00 2.19 H new ATOM 0 HG23 THR A 24 14.032 1.363 1.937 1.00 2.19 H new ATOM 351 N ASP A 25 13.434 5.919 -0.368 1.00 1.72 N ATOM 352 CA ASP A 25 12.810 7.173 -0.758 1.00 1.73 C ATOM 353 C ASP A 25 11.772 6.906 -1.834 1.00 1.40 C ATOM 354 O ASP A 25 12.013 6.155 -2.775 1.00 1.55 O ATOM 355 CB ASP A 25 13.842 8.207 -1.249 1.00 2.18 C ATOM 356 CG ASP A 25 14.263 8.019 -2.699 1.00 2.30 C ATOM 357 OD1 ASP A 25 13.592 8.572 -3.601 1.00 2.76 O ATOM 358 OD2 ASP A 25 15.276 7.335 -2.945 1.00 2.59 O ATOM 0 H ASP A 25 14.135 5.570 -1.022 1.00 1.72 H new ATOM 0 HA ASP A 25 12.328 7.599 0.122 1.00 1.73 H new ATOM 0 HB2 ASP A 25 13.425 9.207 -1.129 1.00 2.18 H new ATOM 0 HB3 ASP A 25 14.726 8.152 -0.614 1.00 2.18 H new ATOM 363 N LEU A 26 10.599 7.489 -1.662 1.00 1.15 N ATOM 364 CA LEU A 26 9.523 7.337 -2.624 1.00 1.01 C ATOM 365 C LEU A 26 9.312 8.643 -3.386 1.00 1.04 C ATOM 366 O LEU A 26 8.180 9.063 -3.622 1.00 1.18 O ATOM 367 CB LEU A 26 8.228 6.913 -1.912 1.00 1.12 C ATOM 368 CG LEU A 26 8.044 5.401 -1.685 1.00 0.89 C ATOM 369 CD1 LEU A 26 9.163 4.814 -0.832 1.00 1.28 C ATOM 370 CD2 LEU A 26 6.691 5.125 -1.041 1.00 1.60 C ATOM 0 H LEU A 26 10.367 8.075 -0.860 1.00 1.15 H new ATOM 0 HA LEU A 26 9.795 6.559 -3.337 1.00 1.01 H new ATOM 0 HB2 LEU A 26 8.189 7.413 -0.944 1.00 1.12 H new ATOM 0 HB3 LEU A 26 7.381 7.278 -2.493 1.00 1.12 H new ATOM 0 HG LEU A 26 8.084 4.915 -2.660 1.00 0.89 H new ATOM 0 HD11 LEU A 26 8.995 3.746 -0.696 1.00 1.28 H new ATOM 0 HD12 LEU A 26 10.120 4.970 -1.330 1.00 1.28 H new ATOM 0 HD13 LEU A 26 9.175 5.306 0.141 1.00 1.28 H new ATOM 0 HD21 LEU A 26 6.574 4.052 -0.886 1.00 1.60 H new ATOM 0 HD22 LEU A 26 6.633 5.639 -0.081 1.00 1.60 H new ATOM 0 HD23 LEU A 26 5.897 5.486 -1.694 1.00 1.60 H new ATOM 382 N SER A 27 10.413 9.279 -3.777 1.00 1.09 N ATOM 383 CA SER A 27 10.346 10.537 -4.511 1.00 1.24 C ATOM 384 C SER A 27 9.827 10.293 -5.930 1.00 1.33 C ATOM 385 O SER A 27 9.218 11.172 -6.542 1.00 1.85 O ATOM 386 CB SER A 27 11.728 11.208 -4.532 1.00 1.39 C ATOM 387 OG SER A 27 11.686 12.495 -5.132 1.00 2.08 O ATOM 0 H SER A 27 11.360 8.944 -3.598 1.00 1.09 H new ATOM 0 HA SER A 27 9.650 11.209 -4.009 1.00 1.24 H new ATOM 0 HB2 SER A 27 12.104 11.295 -3.513 1.00 1.39 H new ATOM 0 HB3 SER A 27 12.429 10.577 -5.077 1.00 1.39 H new ATOM 0 HG SER A 27 12.583 12.889 -5.125 1.00 2.08 H new ATOM 393 N GLY A 28 10.052 9.086 -6.437 1.00 1.34 N ATOM 394 CA GLY A 28 9.557 8.727 -7.750 1.00 1.58 C ATOM 395 C GLY A 28 8.338 7.829 -7.667 1.00 1.41 C ATOM 396 O GLY A 28 7.703 7.731 -6.616 1.00 1.84 O ATOM 0 H GLY A 28 10.570 8.349 -5.959 1.00 1.34 H new ATOM 0 HA2 GLY A 28 9.305 9.632 -8.303 1.00 1.58 H new ATOM 0 HA3 GLY A 28 10.344 8.221 -8.309 1.00 1.58 H new ATOM 400 N ASP A 29 8.019 7.164 -8.768 1.00 1.35 N ATOM 401 CA ASP A 29 6.858 6.277 -8.821 1.00 1.28 C ATOM 402 C ASP A 29 7.199 4.924 -8.217 1.00 1.21 C ATOM 403 O ASP A 29 8.221 4.327 -8.547 1.00 1.84 O ATOM 404 CB ASP A 29 6.374 6.081 -10.263 1.00 1.54 C ATOM 405 CG ASP A 29 5.154 5.177 -10.337 1.00 2.18 C ATOM 406 OD1 ASP A 29 5.326 3.941 -10.323 1.00 2.64 O ATOM 407 OD2 ASP A 29 4.018 5.699 -10.419 1.00 2.77 O ATOM 0 H ASP A 29 8.546 7.220 -9.639 1.00 1.35 H new ATOM 0 HA ASP A 29 6.059 6.744 -8.245 1.00 1.28 H new ATOM 0 HB2 ASP A 29 6.134 7.050 -10.700 1.00 1.54 H new ATOM 0 HB3 ASP A 29 7.179 5.653 -10.860 1.00 1.54 H new ATOM 412 N PHE A 30 6.341 4.454 -7.329 1.00 0.72 N ATOM 413 CA PHE A 30 6.536 3.163 -6.688 1.00 0.64 C ATOM 414 C PHE A 30 5.401 2.202 -7.034 1.00 0.53 C ATOM 415 O PHE A 30 5.564 0.988 -6.955 1.00 0.50 O ATOM 416 CB PHE A 30 6.642 3.340 -5.168 1.00 0.64 C ATOM 417 CG PHE A 30 5.495 4.097 -4.554 1.00 0.57 C ATOM 418 CD1 PHE A 30 5.482 5.483 -4.549 1.00 0.76 C ATOM 419 CD2 PHE A 30 4.427 3.420 -3.982 1.00 0.70 C ATOM 420 CE1 PHE A 30 4.429 6.177 -3.986 1.00 0.92 C ATOM 421 CE2 PHE A 30 3.373 4.111 -3.417 1.00 0.87 C ATOM 422 CZ PHE A 30 3.377 5.499 -3.423 1.00 0.92 C ATOM 0 H PHE A 30 5.499 4.948 -7.034 1.00 0.72 H new ATOM 0 HA PHE A 30 7.466 2.733 -7.060 1.00 0.64 H new ATOM 0 HB2 PHE A 30 6.704 2.356 -4.702 1.00 0.64 H new ATOM 0 HB3 PHE A 30 7.571 3.861 -4.938 1.00 0.64 H new ATOM 0 HD1 PHE A 30 6.304 6.026 -4.990 1.00 0.76 H new ATOM 0 HD2 PHE A 30 4.420 2.340 -3.979 1.00 0.70 H new ATOM 0 HE1 PHE A 30 4.433 7.257 -3.989 1.00 0.92 H new ATOM 0 HE2 PHE A 30 2.549 3.573 -2.972 1.00 0.87 H new ATOM 0 HZ PHE A 30 2.554 6.044 -2.985 1.00 0.92 H new ATOM 432 N LEU A 31 4.251 2.760 -7.411 1.00 0.50 N ATOM 433 CA LEU A 31 3.062 1.961 -7.705 1.00 0.45 C ATOM 434 C LEU A 31 3.294 0.976 -8.849 1.00 0.41 C ATOM 435 O LEU A 31 2.676 -0.088 -8.887 1.00 0.43 O ATOM 436 CB LEU A 31 1.863 2.849 -8.037 1.00 0.52 C ATOM 437 CG LEU A 31 1.444 3.836 -6.951 1.00 0.54 C ATOM 438 CD1 LEU A 31 1.991 5.218 -7.264 1.00 0.78 C ATOM 439 CD2 LEU A 31 -0.071 3.864 -6.818 1.00 0.43 C ATOM 0 H LEU A 31 4.118 3.765 -7.520 1.00 0.50 H new ATOM 0 HA LEU A 31 2.849 1.391 -6.801 1.00 0.45 H new ATOM 0 HB2 LEU A 31 2.091 3.411 -8.943 1.00 0.52 H new ATOM 0 HB3 LEU A 31 1.012 2.207 -8.266 1.00 0.52 H new ATOM 0 HG LEU A 31 1.859 3.512 -5.997 1.00 0.54 H new ATOM 0 HD11 LEU A 31 1.687 5.915 -6.483 1.00 0.78 H new ATOM 0 HD12 LEU A 31 3.079 5.177 -7.310 1.00 0.78 H new ATOM 0 HD13 LEU A 31 1.600 5.555 -8.224 1.00 0.78 H new ATOM 0 HD21 LEU A 31 -0.355 4.572 -6.040 1.00 0.43 H new ATOM 0 HD22 LEU A 31 -0.514 4.170 -7.766 1.00 0.43 H new ATOM 0 HD23 LEU A 31 -0.431 2.870 -6.553 1.00 0.43 H new ATOM 451 N ASP A 32 4.169 1.332 -9.781 1.00 0.41 N ATOM 452 CA ASP A 32 4.379 0.516 -10.973 1.00 0.43 C ATOM 453 C ASP A 32 5.464 -0.528 -10.733 1.00 0.42 C ATOM 454 O ASP A 32 5.548 -1.535 -11.439 1.00 0.51 O ATOM 455 CB ASP A 32 4.757 1.417 -12.151 1.00 0.56 C ATOM 456 CG ASP A 32 4.798 0.683 -13.474 1.00 1.39 C ATOM 457 OD1 ASP A 32 3.722 0.370 -14.028 1.00 1.73 O ATOM 458 OD2 ASP A 32 5.910 0.389 -13.957 1.00 2.29 O ATOM 0 H ASP A 32 4.742 2.175 -9.737 1.00 0.41 H new ATOM 0 HA ASP A 32 3.453 -0.010 -11.205 1.00 0.43 H new ATOM 0 HB2 ASP A 32 4.040 2.235 -12.219 1.00 0.56 H new ATOM 0 HB3 ASP A 32 5.733 1.863 -11.960 1.00 0.56 H new ATOM 463 N LEU A 33 6.281 -0.285 -9.723 1.00 0.43 N ATOM 464 CA LEU A 33 7.326 -1.223 -9.346 1.00 0.48 C ATOM 465 C LEU A 33 6.776 -2.226 -8.336 1.00 0.42 C ATOM 466 O LEU A 33 5.848 -1.913 -7.589 1.00 0.46 O ATOM 467 CB LEU A 33 8.525 -0.477 -8.753 1.00 0.56 C ATOM 468 CG LEU A 33 9.146 0.592 -9.657 1.00 0.68 C ATOM 469 CD1 LEU A 33 10.298 1.287 -8.946 1.00 1.23 C ATOM 470 CD2 LEU A 33 9.619 -0.021 -10.966 1.00 1.01 C ATOM 0 H LEU A 33 6.241 0.556 -9.147 1.00 0.43 H new ATOM 0 HA LEU A 33 7.660 -1.758 -10.235 1.00 0.48 H new ATOM 0 HB2 LEU A 33 8.213 -0.004 -7.822 1.00 0.56 H new ATOM 0 HB3 LEU A 33 9.295 -1.205 -8.498 1.00 0.56 H new ATOM 0 HG LEU A 33 8.382 1.335 -9.884 1.00 0.68 H new ATOM 0 HD11 LEU A 33 10.728 2.043 -9.603 1.00 1.23 H new ATOM 0 HD12 LEU A 33 9.931 1.762 -8.037 1.00 1.23 H new ATOM 0 HD13 LEU A 33 11.062 0.554 -8.689 1.00 1.23 H new ATOM 0 HD21 LEU A 33 10.057 0.755 -11.594 1.00 1.01 H new ATOM 0 HD22 LEU A 33 10.367 -0.786 -10.760 1.00 1.01 H new ATOM 0 HD23 LEU A 33 8.772 -0.472 -11.484 1.00 1.01 H new ATOM 482 N ARG A 34 7.326 -3.434 -8.314 1.00 0.40 N ATOM 483 CA ARG A 34 6.871 -4.450 -7.368 1.00 0.39 C ATOM 484 C ARG A 34 7.349 -4.112 -5.957 1.00 0.36 C ATOM 485 O ARG A 34 8.358 -3.426 -5.789 1.00 0.42 O ATOM 486 CB ARG A 34 7.367 -5.838 -7.780 1.00 0.50 C ATOM 487 CG ARG A 34 6.955 -6.235 -9.187 1.00 0.66 C ATOM 488 CD ARG A 34 7.427 -7.638 -9.534 1.00 0.80 C ATOM 489 NE ARG A 34 7.328 -7.904 -10.966 1.00 1.41 N ATOM 490 CZ ARG A 34 7.844 -8.975 -11.563 1.00 1.84 C ATOM 491 NH1 ARG A 34 8.405 -9.939 -10.841 1.00 1.72 N ATOM 492 NH2 ARG A 34 7.800 -9.077 -12.885 1.00 2.88 N ATOM 0 H ARG A 34 8.080 -3.734 -8.932 1.00 0.40 H new ATOM 0 HA ARG A 34 5.781 -4.461 -7.376 1.00 0.39 H new ATOM 0 HB2 ARG A 34 8.454 -5.863 -7.708 1.00 0.50 H new ATOM 0 HB3 ARG A 34 6.984 -6.576 -7.076 1.00 0.50 H new ATOM 0 HG2 ARG A 34 5.870 -6.183 -9.277 1.00 0.66 H new ATOM 0 HG3 ARG A 34 7.369 -5.524 -9.902 1.00 0.66 H new ATOM 0 HD2 ARG A 34 8.460 -7.764 -9.211 1.00 0.80 H new ATOM 0 HD3 ARG A 34 6.831 -8.368 -8.987 1.00 0.80 H new ATOM 0 HE ARG A 34 6.832 -7.226 -11.545 1.00 1.41 H new ATOM 0 HH11 ARG A 34 8.441 -9.860 -9.825 1.00 1.72 H new ATOM 0 HH12 ARG A 34 8.799 -10.758 -11.303 1.00 1.72 H new ATOM 0 HH21 ARG A 34 7.372 -8.336 -13.440 1.00 2.88 H new ATOM 0 HH22 ARG A 34 8.195 -9.897 -13.347 1.00 2.88 H new ATOM 506 N PHE A 35 6.621 -4.586 -4.951 1.00 0.36 N ATOM 507 CA PHE A 35 6.956 -4.310 -3.555 1.00 0.39 C ATOM 508 C PHE A 35 8.386 -4.734 -3.230 1.00 0.46 C ATOM 509 O PHE A 35 9.173 -3.944 -2.709 1.00 0.49 O ATOM 510 CB PHE A 35 5.976 -5.015 -2.618 1.00 0.45 C ATOM 511 CG PHE A 35 4.571 -4.514 -2.744 1.00 0.45 C ATOM 512 CD1 PHE A 35 4.212 -3.290 -2.207 1.00 0.49 C ATOM 513 CD2 PHE A 35 3.612 -5.260 -3.408 1.00 0.52 C ATOM 514 CE1 PHE A 35 2.919 -2.823 -2.323 1.00 0.55 C ATOM 515 CE2 PHE A 35 2.316 -4.799 -3.527 1.00 0.59 C ATOM 516 CZ PHE A 35 1.970 -3.577 -2.986 1.00 0.59 C ATOM 0 H PHE A 35 5.791 -5.166 -5.076 1.00 0.36 H new ATOM 0 HA PHE A 35 6.879 -3.233 -3.405 1.00 0.39 H new ATOM 0 HB2 PHE A 35 5.993 -6.085 -2.825 1.00 0.45 H new ATOM 0 HB3 PHE A 35 6.310 -4.884 -1.589 1.00 0.45 H new ATOM 0 HD1 PHE A 35 4.951 -2.695 -1.692 1.00 0.49 H new ATOM 0 HD2 PHE A 35 3.881 -6.214 -3.838 1.00 0.52 H new ATOM 0 HE1 PHE A 35 2.649 -1.869 -1.896 1.00 0.55 H new ATOM 0 HE2 PHE A 35 1.575 -5.393 -4.042 1.00 0.59 H new ATOM 0 HZ PHE A 35 0.958 -3.211 -3.081 1.00 0.59 H new ATOM 526 N GLU A 36 8.713 -5.984 -3.545 1.00 0.59 N ATOM 527 CA GLU A 36 10.050 -6.524 -3.296 1.00 0.76 C ATOM 528 C GLU A 36 11.106 -5.726 -4.064 1.00 0.71 C ATOM 529 O GLU A 36 12.282 -5.704 -3.699 1.00 0.80 O ATOM 530 CB GLU A 36 10.139 -8.001 -3.706 1.00 1.00 C ATOM 531 CG GLU A 36 8.863 -8.801 -3.481 1.00 1.26 C ATOM 532 CD GLU A 36 7.869 -8.632 -4.611 1.00 1.89 C ATOM 533 OE1 GLU A 36 7.995 -9.339 -5.631 1.00 2.28 O ATOM 534 OE2 GLU A 36 6.949 -7.802 -4.471 1.00 2.60 O ATOM 0 H GLU A 36 8.068 -6.647 -3.976 1.00 0.59 H new ATOM 0 HA GLU A 36 10.239 -6.443 -2.226 1.00 0.76 H new ATOM 0 HB2 GLU A 36 10.405 -8.056 -4.762 1.00 1.00 H new ATOM 0 HB3 GLU A 36 10.949 -8.471 -3.149 1.00 1.00 H new ATOM 0 HG2 GLU A 36 9.113 -9.857 -3.376 1.00 1.26 H new ATOM 0 HG3 GLU A 36 8.401 -8.488 -2.545 1.00 1.26 H new ATOM 541 N ASP A 37 10.665 -5.054 -5.119 1.00 0.65 N ATOM 542 CA ASP A 37 11.565 -4.350 -6.018 1.00 0.74 C ATOM 543 C ASP A 37 11.905 -2.980 -5.441 1.00 0.66 C ATOM 544 O ASP A 37 13.016 -2.481 -5.609 1.00 0.75 O ATOM 545 CB ASP A 37 10.905 -4.211 -7.394 1.00 0.86 C ATOM 546 CG ASP A 37 11.900 -4.105 -8.530 1.00 1.28 C ATOM 547 OD1 ASP A 37 12.557 -5.121 -8.840 1.00 1.38 O ATOM 548 OD2 ASP A 37 11.983 -3.031 -9.155 1.00 2.03 O ATOM 0 H ASP A 37 9.680 -4.983 -5.373 1.00 0.65 H new ATOM 0 HA ASP A 37 12.490 -4.915 -6.129 1.00 0.74 H new ATOM 0 HB2 ASP A 37 10.258 -5.071 -7.567 1.00 0.86 H new ATOM 0 HB3 ASP A 37 10.268 -3.327 -7.395 1.00 0.86 H new ATOM 553 N ILE A 38 10.952 -2.389 -4.724 1.00 0.54 N ATOM 554 CA ILE A 38 11.185 -1.114 -4.049 1.00 0.54 C ATOM 555 C ILE A 38 11.673 -1.319 -2.614 1.00 0.50 C ATOM 556 O ILE A 38 11.678 -0.387 -1.812 1.00 0.55 O ATOM 557 CB ILE A 38 9.929 -0.216 -4.036 1.00 0.55 C ATOM 558 CG1 ILE A 38 8.708 -0.997 -3.542 1.00 0.48 C ATOM 559 CG2 ILE A 38 9.679 0.372 -5.415 1.00 0.67 C ATOM 560 CD1 ILE A 38 7.438 -0.174 -3.493 1.00 0.57 C ATOM 0 H ILE A 38 10.015 -2.770 -4.595 1.00 0.54 H new ATOM 0 HA ILE A 38 11.961 -0.610 -4.624 1.00 0.54 H new ATOM 0 HB ILE A 38 10.102 0.607 -3.343 1.00 0.55 H new ATOM 0 HG12 ILE A 38 8.549 -1.856 -4.194 1.00 0.48 H new ATOM 0 HG13 ILE A 38 8.916 -1.387 -2.546 1.00 0.48 H new ATOM 0 HG21 ILE A 38 8.790 1.002 -5.386 1.00 0.67 H new ATOM 0 HG22 ILE A 38 10.538 0.971 -5.716 1.00 0.67 H new ATOM 0 HG23 ILE A 38 9.529 -0.435 -6.133 1.00 0.67 H new ATOM 0 HD11 ILE A 38 6.616 -0.794 -3.134 1.00 0.57 H new ATOM 0 HD12 ILE A 38 7.577 0.670 -2.818 1.00 0.57 H new ATOM 0 HD13 ILE A 38 7.205 0.195 -4.492 1.00 0.57 H new ATOM 572 N GLY A 39 12.094 -2.540 -2.303 1.00 0.53 N ATOM 573 CA GLY A 39 12.697 -2.818 -1.009 1.00 0.58 C ATOM 574 C GLY A 39 11.685 -3.068 0.092 1.00 0.51 C ATOM 575 O GLY A 39 12.009 -2.944 1.272 1.00 0.62 O ATOM 0 H GLY A 39 12.029 -3.346 -2.925 1.00 0.53 H new ATOM 0 HA2 GLY A 39 13.345 -3.689 -1.100 1.00 0.58 H new ATOM 0 HA3 GLY A 39 13.330 -1.978 -0.725 1.00 0.58 H new ATOM 579 N TYR A 40 10.463 -3.419 -0.278 1.00 0.47 N ATOM 580 CA TYR A 40 9.444 -3.747 0.708 1.00 0.47 C ATOM 581 C TYR A 40 9.156 -5.237 0.703 1.00 0.55 C ATOM 582 O TYR A 40 8.477 -5.752 -0.185 1.00 0.71 O ATOM 583 CB TYR A 40 8.164 -2.944 0.469 1.00 0.47 C ATOM 584 CG TYR A 40 8.265 -1.518 0.951 1.00 0.46 C ATOM 585 CD1 TYR A 40 7.948 -1.176 2.259 1.00 0.49 C ATOM 586 CD2 TYR A 40 8.666 -0.508 0.087 1.00 0.48 C ATOM 587 CE1 TYR A 40 8.028 0.134 2.694 1.00 0.53 C ATOM 588 CE2 TYR A 40 8.746 0.802 0.512 1.00 0.52 C ATOM 589 CZ TYR A 40 8.472 1.103 1.862 1.00 0.53 C ATOM 590 OH TYR A 40 8.504 2.427 2.247 1.00 0.61 O ATOM 0 H TYR A 40 10.154 -3.484 -1.248 1.00 0.47 H new ATOM 0 HA TYR A 40 9.827 -3.475 1.691 1.00 0.47 H new ATOM 0 HB2 TYR A 40 7.934 -2.946 -0.596 1.00 0.47 H new ATOM 0 HB3 TYR A 40 7.333 -3.435 0.976 1.00 0.47 H new ATOM 0 HD1 TYR A 40 7.634 -1.946 2.948 1.00 0.49 H new ATOM 0 HD2 TYR A 40 8.919 -0.752 -0.934 1.00 0.48 H new ATOM 0 HE1 TYR A 40 7.735 0.384 3.703 1.00 0.53 H new ATOM 0 HE2 TYR A 40 9.015 1.586 -0.180 1.00 0.52 H new ATOM 0 HH TYR A 40 8.369 2.489 3.216 1.00 0.61 H new ATOM 600 N ASP A 41 9.685 -5.922 1.705 1.00 0.58 N ATOM 601 CA ASP A 41 9.586 -7.373 1.778 1.00 0.71 C ATOM 602 C ASP A 41 8.305 -7.788 2.504 1.00 0.66 C ATOM 603 O ASP A 41 7.474 -6.938 2.833 1.00 0.93 O ATOM 604 CB ASP A 41 10.813 -7.946 2.485 1.00 0.89 C ATOM 605 CG ASP A 41 11.165 -9.328 1.977 1.00 1.40 C ATOM 606 OD1 ASP A 41 10.546 -10.309 2.437 1.00 1.82 O ATOM 607 OD2 ASP A 41 12.047 -9.436 1.101 1.00 1.93 O ATOM 0 H ASP A 41 10.189 -5.495 2.482 1.00 0.58 H new ATOM 0 HA ASP A 41 9.547 -7.773 0.765 1.00 0.71 H new ATOM 0 HB2 ASP A 41 11.662 -7.278 2.337 1.00 0.89 H new ATOM 0 HB3 ASP A 41 10.626 -7.991 3.558 1.00 0.89 H new ATOM 612 N SER A 42 8.173 -9.089 2.769 1.00 0.63 N ATOM 613 CA SER A 42 6.956 -9.677 3.335 1.00 0.63 C ATOM 614 C SER A 42 6.507 -8.959 4.611 1.00 0.54 C ATOM 615 O SER A 42 5.369 -8.493 4.711 1.00 0.50 O ATOM 616 CB SER A 42 7.195 -11.161 3.629 1.00 0.77 C ATOM 617 OG SER A 42 8.311 -11.311 4.562 1.00 0.91 O ATOM 0 H SER A 42 8.913 -9.770 2.596 1.00 0.63 H new ATOM 0 HA SER A 42 6.159 -9.563 2.600 1.00 0.63 H new ATOM 0 HB2 SER A 42 6.294 -11.606 4.051 1.00 0.77 H new ATOM 0 HB3 SER A 42 7.410 -11.694 2.703 1.00 0.77 H new ATOM 622 N LEU A 43 7.413 -8.877 5.578 1.00 0.57 N ATOM 623 CA LEU A 43 7.111 -8.292 6.881 1.00 0.57 C ATOM 624 C LEU A 43 6.702 -6.829 6.754 1.00 0.48 C ATOM 625 O LEU A 43 5.708 -6.402 7.337 1.00 0.49 O ATOM 626 CB LEU A 43 8.321 -8.417 7.812 1.00 0.68 C ATOM 627 CG LEU A 43 8.114 -7.889 9.233 1.00 0.78 C ATOM 628 CD1 LEU A 43 7.022 -8.678 9.943 1.00 0.90 C ATOM 629 CD2 LEU A 43 9.416 -7.958 10.020 1.00 1.32 C ATOM 0 H LEU A 43 8.372 -9.211 5.483 1.00 0.57 H new ATOM 0 HA LEU A 43 6.271 -8.842 7.305 1.00 0.57 H new ATOM 0 HB2 LEU A 43 8.605 -9.468 7.871 1.00 0.68 H new ATOM 0 HB3 LEU A 43 9.160 -7.884 7.363 1.00 0.68 H new ATOM 0 HG LEU A 43 7.801 -6.847 9.171 1.00 0.78 H new ATOM 0 HD11 LEU A 43 6.889 -8.288 10.952 1.00 0.90 H new ATOM 0 HD12 LEU A 43 6.087 -8.583 9.391 1.00 0.90 H new ATOM 0 HD13 LEU A 43 7.307 -9.729 9.995 1.00 0.90 H new ATOM 0 HD21 LEU A 43 9.252 -7.579 11.029 1.00 1.32 H new ATOM 0 HD22 LEU A 43 9.755 -8.993 10.072 1.00 1.32 H new ATOM 0 HD23 LEU A 43 10.174 -7.352 9.523 1.00 1.32 H new ATOM 641 N ALA A 44 7.462 -6.073 5.975 1.00 0.44 N ATOM 642 CA ALA A 44 7.197 -4.652 5.805 1.00 0.41 C ATOM 643 C ALA A 44 5.844 -4.425 5.145 1.00 0.34 C ATOM 644 O ALA A 44 5.121 -3.487 5.482 1.00 0.36 O ATOM 645 CB ALA A 44 8.300 -4.007 4.981 1.00 0.47 C ATOM 0 H ALA A 44 8.266 -6.419 5.451 1.00 0.44 H new ATOM 0 HA ALA A 44 7.175 -4.189 6.792 1.00 0.41 H new ATOM 0 HB1 ALA A 44 8.090 -2.944 4.861 1.00 0.47 H new ATOM 0 HB2 ALA A 44 9.256 -4.133 5.490 1.00 0.47 H new ATOM 0 HB3 ALA A 44 8.346 -4.481 4.000 1.00 0.47 H new ATOM 651 N LEU A 45 5.502 -5.300 4.213 1.00 0.35 N ATOM 652 CA LEU A 45 4.258 -5.180 3.472 1.00 0.35 C ATOM 653 C LEU A 45 3.052 -5.415 4.380 1.00 0.34 C ATOM 654 O LEU A 45 2.097 -4.639 4.361 1.00 0.36 O ATOM 655 CB LEU A 45 4.237 -6.169 2.301 1.00 0.43 C ATOM 656 CG LEU A 45 3.002 -6.077 1.406 1.00 0.48 C ATOM 657 CD1 LEU A 45 2.904 -4.698 0.778 1.00 0.75 C ATOM 658 CD2 LEU A 45 3.034 -7.152 0.332 1.00 0.74 C ATOM 0 H LEU A 45 6.072 -6.104 3.951 1.00 0.35 H new ATOM 0 HA LEU A 45 4.197 -4.165 3.080 1.00 0.35 H new ATOM 0 HB2 LEU A 45 5.124 -6.005 1.690 1.00 0.43 H new ATOM 0 HB3 LEU A 45 4.306 -7.182 2.698 1.00 0.43 H new ATOM 0 HG LEU A 45 2.119 -6.240 2.023 1.00 0.48 H new ATOM 0 HD11 LEU A 45 2.019 -4.649 0.144 1.00 0.75 H new ATOM 0 HD12 LEU A 45 2.830 -3.945 1.563 1.00 0.75 H new ATOM 0 HD13 LEU A 45 3.793 -4.508 0.176 1.00 0.75 H new ATOM 0 HD21 LEU A 45 2.145 -7.068 -0.294 1.00 0.74 H new ATOM 0 HD22 LEU A 45 3.925 -7.025 -0.284 1.00 0.74 H new ATOM 0 HD23 LEU A 45 3.055 -8.135 0.802 1.00 0.74 H new ATOM 670 N MET A 46 3.104 -6.469 5.186 1.00 0.36 N ATOM 671 CA MET A 46 1.970 -6.828 6.033 1.00 0.40 C ATOM 672 C MET A 46 1.726 -5.768 7.108 1.00 0.37 C ATOM 673 O MET A 46 0.581 -5.497 7.470 1.00 0.41 O ATOM 674 CB MET A 46 2.157 -8.228 6.650 1.00 0.49 C ATOM 675 CG MET A 46 3.339 -8.368 7.605 1.00 0.52 C ATOM 676 SD MET A 46 2.962 -7.843 9.289 1.00 1.21 S ATOM 677 CE MET A 46 1.669 -8.997 9.733 1.00 1.26 C ATOM 0 H MET A 46 3.911 -7.086 5.272 1.00 0.36 H new ATOM 0 HA MET A 46 1.081 -6.865 5.403 1.00 0.40 H new ATOM 0 HB2 MET A 46 1.246 -8.496 7.185 1.00 0.49 H new ATOM 0 HB3 MET A 46 2.277 -8.950 5.842 1.00 0.49 H new ATOM 0 HG2 MET A 46 3.663 -9.408 7.620 1.00 0.52 H new ATOM 0 HG3 MET A 46 4.175 -7.779 7.227 1.00 0.52 H new ATOM 0 HE1 MET A 46 1.874 -9.411 10.720 1.00 1.26 H new ATOM 0 HE2 MET A 46 0.710 -8.480 9.749 1.00 1.26 H new ATOM 0 HE3 MET A 46 1.634 -9.804 9.001 1.00 1.26 H new ATOM 687 N GLU A 47 2.798 -5.157 7.606 1.00 0.37 N ATOM 688 CA GLU A 47 2.662 -4.071 8.569 1.00 0.42 C ATOM 689 C GLU A 47 2.007 -2.855 7.922 1.00 0.41 C ATOM 690 O GLU A 47 1.237 -2.136 8.560 1.00 0.47 O ATOM 691 CB GLU A 47 4.018 -3.692 9.164 1.00 0.48 C ATOM 692 CG GLU A 47 4.595 -4.753 10.086 1.00 0.62 C ATOM 693 CD GLU A 47 5.826 -4.272 10.821 1.00 1.21 C ATOM 694 OE1 GLU A 47 5.684 -3.521 11.807 1.00 1.18 O ATOM 695 OE2 GLU A 47 6.948 -4.642 10.411 1.00 2.20 O ATOM 0 H GLU A 47 3.760 -5.393 7.361 1.00 0.37 H new ATOM 0 HA GLU A 47 2.021 -4.420 9.378 1.00 0.42 H new ATOM 0 HB2 GLU A 47 4.722 -3.505 8.353 1.00 0.48 H new ATOM 0 HB3 GLU A 47 3.915 -2.759 9.717 1.00 0.48 H new ATOM 0 HG2 GLU A 47 3.837 -5.052 10.810 1.00 0.62 H new ATOM 0 HG3 GLU A 47 4.847 -5.639 9.503 1.00 0.62 H new ATOM 702 N THR A 48 2.316 -2.636 6.651 1.00 0.37 N ATOM 703 CA THR A 48 1.743 -1.532 5.893 1.00 0.42 C ATOM 704 C THR A 48 0.224 -1.685 5.761 1.00 0.40 C ATOM 705 O THR A 48 -0.511 -0.695 5.736 1.00 0.43 O ATOM 706 CB THR A 48 2.392 -1.423 4.497 1.00 0.45 C ATOM 707 OG1 THR A 48 3.820 -1.308 4.632 1.00 0.47 O ATOM 708 CG2 THR A 48 1.862 -0.211 3.748 1.00 0.54 C ATOM 0 H THR A 48 2.967 -3.214 6.119 1.00 0.37 H new ATOM 0 HA THR A 48 1.950 -0.613 6.442 1.00 0.42 H new ATOM 0 HB THR A 48 2.143 -2.322 3.933 1.00 0.45 H new ATOM 0 HG1 THR A 48 4.214 -2.202 4.713 1.00 0.47 H new ATOM 0 HG21 THR A 48 2.334 -0.155 2.767 1.00 0.54 H new ATOM 0 HG22 THR A 48 0.783 -0.301 3.627 1.00 0.54 H new ATOM 0 HG23 THR A 48 2.089 0.693 4.312 1.00 0.54 H new ATOM 716 N ALA A 49 -0.240 -2.930 5.695 1.00 0.40 N ATOM 717 CA ALA A 49 -1.671 -3.215 5.648 1.00 0.39 C ATOM 718 C ALA A 49 -2.378 -2.599 6.850 1.00 0.34 C ATOM 719 O ALA A 49 -3.382 -1.898 6.703 1.00 0.33 O ATOM 720 CB ALA A 49 -1.914 -4.715 5.605 1.00 0.46 C ATOM 0 H ALA A 49 0.355 -3.758 5.673 1.00 0.40 H new ATOM 0 HA ALA A 49 -2.080 -2.771 4.740 1.00 0.39 H new ATOM 0 HB1 ALA A 49 -2.986 -4.909 5.570 1.00 0.46 H new ATOM 0 HB2 ALA A 49 -1.440 -5.135 4.718 1.00 0.46 H new ATOM 0 HB3 ALA A 49 -1.490 -5.178 6.496 1.00 0.46 H new ATOM 726 N ALA A 50 -1.823 -2.839 8.036 1.00 0.37 N ATOM 727 CA ALA A 50 -2.380 -2.312 9.277 1.00 0.40 C ATOM 728 C ALA A 50 -2.329 -0.790 9.287 1.00 0.39 C ATOM 729 O ALA A 50 -3.122 -0.127 9.953 1.00 0.44 O ATOM 730 CB ALA A 50 -1.636 -2.874 10.479 1.00 0.49 C ATOM 0 H ALA A 50 -0.981 -3.400 8.162 1.00 0.37 H new ATOM 0 HA ALA A 50 -3.423 -2.622 9.339 1.00 0.40 H new ATOM 0 HB1 ALA A 50 -2.066 -2.469 11.395 1.00 0.49 H new ATOM 0 HB2 ALA A 50 -1.724 -3.960 10.486 1.00 0.49 H new ATOM 0 HB3 ALA A 50 -0.584 -2.596 10.418 1.00 0.49 H new ATOM 736 N ARG A 51 -1.382 -0.243 8.542 1.00 0.37 N ATOM 737 CA ARG A 51 -1.220 1.199 8.451 1.00 0.44 C ATOM 738 C ARG A 51 -2.343 1.824 7.628 1.00 0.40 C ATOM 739 O ARG A 51 -2.789 2.925 7.920 1.00 0.52 O ATOM 740 CB ARG A 51 0.136 1.549 7.835 1.00 0.52 C ATOM 741 CG ARG A 51 1.336 1.173 8.695 1.00 0.68 C ATOM 742 CD ARG A 51 1.427 2.013 9.964 1.00 0.95 C ATOM 743 NE ARG A 51 0.345 1.720 10.906 1.00 1.47 N ATOM 744 CZ ARG A 51 -0.136 2.603 11.782 1.00 1.90 C ATOM 745 NH1 ARG A 51 0.341 3.837 11.801 1.00 1.94 N ATOM 746 NH2 ARG A 51 -1.104 2.256 12.625 1.00 2.86 N ATOM 0 H ARG A 51 -0.712 -0.778 7.990 1.00 0.37 H new ATOM 0 HA ARG A 51 -1.265 1.605 9.461 1.00 0.44 H new ATOM 0 HB2 ARG A 51 0.224 1.047 6.872 1.00 0.52 H new ATOM 0 HB3 ARG A 51 0.166 2.621 7.640 1.00 0.52 H new ATOM 0 HG2 ARG A 51 1.271 0.119 8.964 1.00 0.68 H new ATOM 0 HG3 ARG A 51 2.250 1.298 8.114 1.00 0.68 H new ATOM 0 HD2 ARG A 51 2.386 1.831 10.449 1.00 0.95 H new ATOM 0 HD3 ARG A 51 1.399 3.070 9.700 1.00 0.95 H new ATOM 0 HE ARG A 51 -0.065 0.786 10.891 1.00 1.47 H new ATOM 0 HH11 ARG A 51 1.074 4.110 11.147 1.00 1.94 H new ATOM 0 HH12 ARG A 51 -0.025 4.515 12.470 1.00 1.94 H new ATOM 0 HH21 ARG A 51 -1.483 1.309 12.604 1.00 2.86 H new ATOM 0 HH22 ARG A 51 -1.467 2.936 13.292 1.00 2.86 H new ATOM 760 N LEU A 52 -2.789 1.116 6.597 1.00 0.32 N ATOM 761 CA LEU A 52 -3.856 1.617 5.737 1.00 0.31 C ATOM 762 C LEU A 52 -5.237 1.329 6.329 1.00 0.27 C ATOM 763 O LEU A 52 -6.088 2.220 6.401 1.00 0.30 O ATOM 764 CB LEU A 52 -3.754 0.995 4.342 1.00 0.35 C ATOM 765 CG LEU A 52 -2.427 1.237 3.617 1.00 0.46 C ATOM 766 CD1 LEU A 52 -2.382 0.461 2.308 1.00 0.56 C ATOM 767 CD2 LEU A 52 -2.225 2.723 3.360 1.00 0.56 C ATOM 0 H LEU A 52 -2.431 0.197 6.336 1.00 0.32 H new ATOM 0 HA LEU A 52 -3.735 2.698 5.662 1.00 0.31 H new ATOM 0 HB2 LEU A 52 -3.912 -0.080 4.428 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -4.563 1.388 3.726 1.00 0.35 H new ATOM 0 HG LEU A 52 -1.618 0.882 4.255 1.00 0.46 H new ATOM 0 HD11 LEU A 52 -1.431 0.646 1.808 1.00 0.56 H new ATOM 0 HD12 LEU A 52 -2.483 -0.605 2.513 1.00 0.56 H new ATOM 0 HD13 LEU A 52 -3.200 0.785 1.664 1.00 0.56 H new ATOM 0 HD21 LEU A 52 -1.277 2.877 2.844 1.00 0.56 H new ATOM 0 HD22 LEU A 52 -3.040 3.099 2.742 1.00 0.56 H new ATOM 0 HD23 LEU A 52 -2.213 3.258 4.310 1.00 0.56 H new ATOM 779 N GLU A 53 -5.447 0.085 6.760 1.00 0.25 N ATOM 780 CA GLU A 53 -6.755 -0.358 7.241 1.00 0.26 C ATOM 781 C GLU A 53 -7.232 0.466 8.432 1.00 0.30 C ATOM 782 O GLU A 53 -8.315 1.044 8.395 1.00 0.36 O ATOM 783 CB GLU A 53 -6.728 -1.845 7.616 1.00 0.27 C ATOM 784 CG GLU A 53 -6.510 -2.770 6.431 1.00 0.32 C ATOM 785 CD GLU A 53 -6.547 -4.232 6.823 1.00 0.41 C ATOM 786 OE1 GLU A 53 -5.603 -4.692 7.493 1.00 0.51 O ATOM 787 OE2 GLU A 53 -7.527 -4.924 6.472 1.00 0.48 O ATOM 0 H GLU A 53 -4.725 -0.635 6.786 1.00 0.25 H new ATOM 0 HA GLU A 53 -7.459 -0.210 6.422 1.00 0.26 H new ATOM 0 HB2 GLU A 53 -5.936 -2.012 8.346 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -7.669 -2.105 8.101 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -7.276 -2.579 5.679 1.00 0.32 H new ATOM 0 HG3 GLU A 53 -5.548 -2.545 5.970 1.00 0.32 H new ATOM 794 N SER A 54 -6.418 0.524 9.477 1.00 0.36 N ATOM 795 CA SER A 54 -6.774 1.242 10.697 1.00 0.46 C ATOM 796 C SER A 54 -6.877 2.751 10.453 1.00 0.43 C ATOM 797 O SER A 54 -7.516 3.471 11.216 1.00 0.53 O ATOM 798 CB SER A 54 -5.738 0.954 11.784 1.00 0.59 C ATOM 799 OG SER A 54 -5.577 -0.442 11.974 1.00 1.42 O ATOM 0 H SER A 54 -5.500 0.080 9.506 1.00 0.36 H new ATOM 0 HA SER A 54 -7.754 0.893 11.023 1.00 0.46 H new ATOM 0 HB2 SER A 54 -4.782 1.400 11.508 1.00 0.59 H new ATOM 0 HB3 SER A 54 -6.048 1.419 12.720 1.00 0.59 H new ATOM 0 HG SER A 54 -4.818 -0.759 11.441 1.00 1.42 H new ATOM 805 N ARG A 55 -6.246 3.213 9.385 1.00 0.37 N ATOM 806 CA ARG A 55 -6.181 4.636 9.079 1.00 0.40 C ATOM 807 C ARG A 55 -7.460 5.111 8.392 1.00 0.40 C ATOM 808 O ARG A 55 -8.043 6.124 8.771 1.00 0.47 O ATOM 809 CB ARG A 55 -4.966 4.888 8.187 1.00 0.47 C ATOM 810 CG ARG A 55 -4.678 6.344 7.859 1.00 0.66 C ATOM 811 CD ARG A 55 -3.337 6.456 7.152 1.00 0.87 C ATOM 812 NE ARG A 55 -3.046 7.803 6.666 1.00 1.14 N ATOM 813 CZ ARG A 55 -1.811 8.308 6.599 1.00 1.64 C ATOM 814 NH1 ARG A 55 -0.796 7.648 7.136 1.00 1.89 N ATOM 815 NH2 ARG A 55 -1.596 9.486 6.030 1.00 2.42 N ATOM 0 H ARG A 55 -5.767 2.618 8.709 1.00 0.37 H new ATOM 0 HA ARG A 55 -6.083 5.200 10.007 1.00 0.40 H new ATOM 0 HB2 ARG A 55 -4.087 4.464 8.673 1.00 0.47 H new ATOM 0 HB3 ARG A 55 -5.106 4.345 7.252 1.00 0.47 H new ATOM 0 HG2 ARG A 55 -5.468 6.747 7.226 1.00 0.66 H new ATOM 0 HG3 ARG A 55 -4.668 6.937 8.773 1.00 0.66 H new ATOM 0 HD2 ARG A 55 -2.547 6.147 7.837 1.00 0.87 H new ATOM 0 HD3 ARG A 55 -3.319 5.763 6.311 1.00 0.87 H new ATOM 0 HE ARG A 55 -3.825 8.387 6.363 1.00 1.14 H new ATOM 0 HH11 ARG A 55 -0.957 6.754 7.601 1.00 1.89 H new ATOM 0 HH12 ARG A 55 0.147 8.033 7.085 1.00 1.89 H new ATOM 0 HH21 ARG A 55 -2.377 10.014 5.639 1.00 2.42 H new ATOM 0 HH22 ARG A 55 -0.650 9.865 5.983 1.00 2.42 H new ATOM 829 N TYR A 56 -7.896 4.364 7.387 1.00 0.38 N ATOM 830 CA TYR A 56 -9.047 4.762 6.585 1.00 0.46 C ATOM 831 C TYR A 56 -10.312 4.023 7.003 1.00 0.51 C ATOM 832 O TYR A 56 -11.405 4.353 6.545 1.00 0.71 O ATOM 833 CB TYR A 56 -8.755 4.518 5.105 1.00 0.52 C ATOM 834 CG TYR A 56 -7.605 5.347 4.590 1.00 0.59 C ATOM 835 CD1 TYR A 56 -7.807 6.642 4.134 1.00 0.70 C ATOM 836 CD2 TYR A 56 -6.323 4.825 4.542 1.00 0.66 C ATOM 837 CE1 TYR A 56 -6.760 7.398 3.649 1.00 0.85 C ATOM 838 CE2 TYR A 56 -5.267 5.571 4.057 1.00 0.81 C ATOM 839 CZ TYR A 56 -5.487 6.889 3.673 1.00 0.91 C ATOM 840 OH TYR A 56 -4.443 7.604 3.126 1.00 1.08 O ATOM 0 H TYR A 56 -7.471 3.480 7.107 1.00 0.38 H new ATOM 0 HA TYR A 56 -9.221 5.825 6.752 1.00 0.46 H new ATOM 0 HB2 TYR A 56 -8.532 3.462 4.953 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -9.648 4.742 4.522 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -8.800 7.065 4.159 1.00 0.70 H new ATOM 0 HD2 TYR A 56 -6.146 3.818 4.890 1.00 0.66 H new ATOM 0 HE1 TYR A 56 -6.942 8.386 3.252 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -4.282 5.136 3.977 1.00 0.81 H new ATOM 0 HH TYR A 56 -3.610 7.098 3.230 1.00 1.08 H new ATOM 850 N GLY A 57 -10.163 3.023 7.862 1.00 0.41 N ATOM 851 CA GLY A 57 -11.313 2.259 8.316 1.00 0.46 C ATOM 852 C GLY A 57 -11.811 1.294 7.259 1.00 0.43 C ATOM 853 O GLY A 57 -13.001 1.267 6.938 1.00 0.58 O ATOM 0 H GLY A 57 -9.269 2.726 8.253 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -11.047 1.704 9.216 1.00 0.46 H new ATOM 0 HA3 GLY A 57 -12.117 2.943 8.589 1.00 0.46 H new ATOM 857 N VAL A 58 -10.896 0.501 6.715 1.00 0.32 N ATOM 858 CA VAL A 58 -11.234 -0.454 5.665 1.00 0.33 C ATOM 859 C VAL A 58 -10.878 -1.876 6.084 1.00 0.33 C ATOM 860 O VAL A 58 -10.517 -2.126 7.233 1.00 0.34 O ATOM 861 CB VAL A 58 -10.514 -0.126 4.331 1.00 0.35 C ATOM 862 CG1 VAL A 58 -10.918 1.245 3.821 1.00 0.45 C ATOM 863 CG2 VAL A 58 -9.003 -0.196 4.493 1.00 0.30 C ATOM 0 H VAL A 58 -9.912 0.500 6.984 1.00 0.32 H new ATOM 0 HA VAL A 58 -12.310 -0.377 5.509 1.00 0.33 H new ATOM 0 HB VAL A 58 -10.819 -0.875 3.600 1.00 0.35 H new ATOM 0 HG11 VAL A 58 -10.400 1.452 2.885 1.00 0.45 H new ATOM 0 HG12 VAL A 58 -11.995 1.268 3.653 1.00 0.45 H new ATOM 0 HG13 VAL A 58 -10.650 2.001 4.559 1.00 0.45 H new ATOM 0 HG21 VAL A 58 -8.524 0.038 3.542 1.00 0.30 H new ATOM 0 HG22 VAL A 58 -8.684 0.524 5.247 1.00 0.30 H new ATOM 0 HG23 VAL A 58 -8.717 -1.200 4.806 1.00 0.30 H new ATOM 873 N SER A 59 -10.985 -2.804 5.146 1.00 0.39 N ATOM 874 CA SER A 59 -10.607 -4.185 5.373 1.00 0.49 C ATOM 875 C SER A 59 -10.081 -4.782 4.070 1.00 0.48 C ATOM 876 O SER A 59 -10.805 -4.854 3.076 1.00 0.51 O ATOM 877 CB SER A 59 -11.810 -4.982 5.892 1.00 0.65 C ATOM 878 OG SER A 59 -12.305 -4.437 7.112 1.00 1.62 O ATOM 0 H SER A 59 -11.337 -2.618 4.207 1.00 0.39 H new ATOM 0 HA SER A 59 -9.821 -4.232 6.127 1.00 0.49 H new ATOM 0 HB2 SER A 59 -12.601 -4.979 5.142 1.00 0.65 H new ATOM 0 HB3 SER A 59 -11.521 -6.022 6.046 1.00 0.65 H new ATOM 0 HG SER A 59 -13.072 -4.964 7.418 1.00 1.62 H new ATOM 884 N ILE A 60 -8.819 -5.184 4.069 1.00 0.46 N ATOM 885 CA ILE A 60 -8.180 -5.697 2.864 1.00 0.46 C ATOM 886 C ILE A 60 -8.360 -7.213 2.753 1.00 0.54 C ATOM 887 O ILE A 60 -7.988 -7.960 3.657 1.00 0.60 O ATOM 888 CB ILE A 60 -6.678 -5.335 2.836 1.00 0.44 C ATOM 889 CG1 ILE A 60 -6.506 -3.814 2.922 1.00 0.40 C ATOM 890 CG2 ILE A 60 -6.022 -5.874 1.572 1.00 0.46 C ATOM 891 CD1 ILE A 60 -5.062 -3.362 2.958 1.00 0.45 C ATOM 0 H ILE A 60 -8.215 -5.165 4.891 1.00 0.46 H new ATOM 0 HA ILE A 60 -8.664 -5.227 2.008 1.00 0.46 H new ATOM 0 HB ILE A 60 -6.190 -5.794 3.696 1.00 0.44 H new ATOM 0 HG12 ILE A 60 -7.000 -3.353 2.066 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -7.013 -3.451 3.816 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -4.965 -5.609 1.570 1.00 0.46 H new ATOM 0 HG22 ILE A 60 -6.125 -6.959 1.543 1.00 0.46 H new ATOM 0 HG23 ILE A 60 -6.506 -5.440 0.697 1.00 0.46 H new ATOM 0 HD11 ILE A 60 -5.023 -2.274 3.019 1.00 0.45 H new ATOM 0 HD12 ILE A 60 -4.568 -3.792 3.829 1.00 0.45 H new ATOM 0 HD13 ILE A 60 -4.554 -3.693 2.052 1.00 0.45 H new ATOM 903 N PRO A 61 -8.950 -7.681 1.637 1.00 0.59 N ATOM 904 CA PRO A 61 -9.183 -9.110 1.386 1.00 0.69 C ATOM 905 C PRO A 61 -7.902 -9.940 1.453 1.00 0.62 C ATOM 906 O PRO A 61 -6.910 -9.625 0.790 1.00 0.57 O ATOM 907 CB PRO A 61 -9.762 -9.138 -0.031 1.00 0.81 C ATOM 908 CG PRO A 61 -10.329 -7.776 -0.238 1.00 0.79 C ATOM 909 CD PRO A 61 -9.448 -6.842 0.538 1.00 0.62 C ATOM 0 HA PRO A 61 -9.839 -9.546 2.140 1.00 0.69 H new ATOM 0 HB2 PRO A 61 -8.991 -9.362 -0.769 1.00 0.81 H new ATOM 0 HB3 PRO A 61 -10.530 -9.905 -0.129 1.00 0.81 H new ATOM 0 HG2 PRO A 61 -10.340 -7.514 -1.296 1.00 0.79 H new ATOM 0 HG3 PRO A 61 -11.359 -7.724 0.114 1.00 0.79 H new ATOM 0 HD2 PRO A 61 -8.633 -6.456 -0.074 1.00 0.62 H new ATOM 0 HD3 PRO A 61 -10.003 -5.981 0.909 1.00 0.62 H new ATOM 917 N ASP A 62 -7.955 -11.011 2.238 1.00 0.76 N ATOM 918 CA ASP A 62 -6.794 -11.863 2.495 1.00 0.82 C ATOM 919 C ASP A 62 -6.181 -12.415 1.208 1.00 0.67 C ATOM 920 O ASP A 62 -4.986 -12.248 0.959 1.00 0.77 O ATOM 921 CB ASP A 62 -7.190 -13.021 3.425 1.00 1.11 C ATOM 922 CG ASP A 62 -6.179 -14.154 3.426 1.00 1.39 C ATOM 923 OD1 ASP A 62 -5.064 -13.954 3.953 1.00 1.96 O ATOM 924 OD2 ASP A 62 -6.489 -15.237 2.894 1.00 1.99 O ATOM 0 H ASP A 62 -8.804 -11.315 2.715 1.00 0.76 H new ATOM 0 HA ASP A 62 -6.037 -11.243 2.975 1.00 0.82 H new ATOM 0 HB2 ASP A 62 -7.303 -12.642 4.441 1.00 1.11 H new ATOM 0 HB3 ASP A 62 -8.162 -13.409 3.120 1.00 1.11 H new ATOM 929 N ASP A 63 -7.001 -13.044 0.377 1.00 0.66 N ATOM 930 CA ASP A 63 -6.484 -13.763 -0.785 1.00 0.71 C ATOM 931 C ASP A 63 -6.161 -12.813 -1.935 1.00 0.58 C ATOM 932 O ASP A 63 -5.250 -13.069 -2.720 1.00 0.62 O ATOM 933 CB ASP A 63 -7.477 -14.830 -1.248 1.00 0.96 C ATOM 934 CG ASP A 63 -6.874 -15.762 -2.278 1.00 1.67 C ATOM 935 OD1 ASP A 63 -5.736 -16.238 -2.073 1.00 2.03 O ATOM 936 OD2 ASP A 63 -7.527 -16.016 -3.313 1.00 2.44 O ATOM 0 H ASP A 63 -8.015 -13.073 0.481 1.00 0.66 H new ATOM 0 HA ASP A 63 -5.558 -14.251 -0.480 1.00 0.71 H new ATOM 0 HB2 ASP A 63 -7.813 -15.410 -0.388 1.00 0.96 H new ATOM 0 HB3 ASP A 63 -8.358 -14.346 -1.670 1.00 0.96 H new ATOM 941 N VAL A 64 -6.888 -11.709 -2.021 1.00 0.57 N ATOM 942 CA VAL A 64 -6.671 -10.743 -3.093 1.00 0.58 C ATOM 943 C VAL A 64 -5.368 -9.977 -2.857 1.00 0.53 C ATOM 944 O VAL A 64 -4.629 -9.676 -3.795 1.00 0.59 O ATOM 945 CB VAL A 64 -7.850 -9.749 -3.212 1.00 0.73 C ATOM 946 CG1 VAL A 64 -7.653 -8.805 -4.389 1.00 1.10 C ATOM 947 CG2 VAL A 64 -9.170 -10.493 -3.346 1.00 1.14 C ATOM 0 H VAL A 64 -7.629 -11.459 -1.367 1.00 0.57 H new ATOM 0 HA VAL A 64 -6.603 -11.298 -4.029 1.00 0.58 H new ATOM 0 HB VAL A 64 -7.878 -9.154 -2.299 1.00 0.73 H new ATOM 0 HG11 VAL A 64 -8.497 -8.117 -4.449 1.00 1.10 H new ATOM 0 HG12 VAL A 64 -6.732 -8.239 -4.251 1.00 1.10 H new ATOM 0 HG13 VAL A 64 -7.589 -9.382 -5.312 1.00 1.10 H new ATOM 0 HG21 VAL A 64 -9.986 -9.775 -3.428 1.00 1.14 H new ATOM 0 HG22 VAL A 64 -9.146 -11.119 -4.238 1.00 1.14 H new ATOM 0 HG23 VAL A 64 -9.325 -11.119 -2.468 1.00 1.14 H new ATOM 957 N ALA A 65 -5.079 -9.698 -1.591 1.00 0.52 N ATOM 958 CA ALA A 65 -3.869 -8.979 -1.209 1.00 0.58 C ATOM 959 C ALA A 65 -2.604 -9.774 -1.539 1.00 0.56 C ATOM 960 O ALA A 65 -1.503 -9.227 -1.556 1.00 0.68 O ATOM 961 CB ALA A 65 -3.912 -8.638 0.269 1.00 0.67 C ATOM 0 H ALA A 65 -5.673 -9.962 -0.805 1.00 0.52 H new ATOM 0 HA ALA A 65 -3.832 -8.057 -1.790 1.00 0.58 H new ATOM 0 HB1 ALA A 65 -3.004 -8.101 0.545 1.00 0.67 H new ATOM 0 HB2 ALA A 65 -4.780 -8.011 0.473 1.00 0.67 H new ATOM 0 HB3 ALA A 65 -3.982 -9.556 0.852 1.00 0.67 H new ATOM 967 N GLY A 66 -2.765 -11.066 -1.804 1.00 0.50 N ATOM 968 CA GLY A 66 -1.624 -11.896 -2.139 1.00 0.56 C ATOM 969 C GLY A 66 -1.328 -11.893 -3.625 1.00 0.58 C ATOM 970 O GLY A 66 -0.271 -12.352 -4.055 1.00 0.77 O ATOM 0 H GLY A 66 -3.662 -11.551 -1.793 1.00 0.50 H new ATOM 0 HA2 GLY A 66 -0.748 -11.542 -1.595 1.00 0.56 H new ATOM 0 HA3 GLY A 66 -1.812 -12.918 -1.810 1.00 0.56 H new ATOM 974 N ARG A 67 -2.259 -11.362 -4.410 1.00 0.55 N ATOM 975 CA ARG A 67 -2.123 -11.363 -5.864 1.00 0.63 C ATOM 976 C ARG A 67 -1.585 -10.029 -6.369 1.00 0.58 C ATOM 977 O ARG A 67 -1.273 -9.885 -7.552 1.00 0.78 O ATOM 978 CB ARG A 67 -3.469 -11.647 -6.530 1.00 0.77 C ATOM 979 CG ARG A 67 -4.150 -12.901 -6.017 1.00 0.93 C ATOM 980 CD ARG A 67 -5.472 -13.136 -6.719 1.00 1.10 C ATOM 981 NE ARG A 67 -6.238 -14.205 -6.088 1.00 1.82 N ATOM 982 CZ ARG A 67 -7.396 -14.663 -6.554 1.00 2.63 C ATOM 983 NH1 ARG A 67 -7.874 -14.201 -7.698 1.00 2.86 N ATOM 984 NH2 ARG A 67 -8.074 -15.579 -5.874 1.00 3.63 N ATOM 0 H ARG A 67 -3.115 -10.926 -4.066 1.00 0.55 H new ATOM 0 HA ARG A 67 -1.415 -12.150 -6.125 1.00 0.63 H new ATOM 0 HB2 ARG A 67 -4.130 -10.795 -6.372 1.00 0.77 H new ATOM 0 HB3 ARG A 67 -3.320 -11.739 -7.606 1.00 0.77 H new ATOM 0 HG2 ARG A 67 -3.497 -13.760 -6.170 1.00 0.93 H new ATOM 0 HG3 ARG A 67 -4.316 -12.814 -4.943 1.00 0.93 H new ATOM 0 HD2 ARG A 67 -6.057 -12.216 -6.710 1.00 1.10 H new ATOM 0 HD3 ARG A 67 -5.289 -13.388 -7.764 1.00 1.10 H new ATOM 0 HE ARG A 67 -5.863 -14.626 -5.238 1.00 1.82 H new ATOM 0 HH11 ARG A 67 -7.354 -13.495 -8.220 1.00 2.86 H new ATOM 0 HH12 ARG A 67 -8.762 -14.551 -8.058 1.00 2.86 H new ATOM 0 HH21 ARG A 67 -7.707 -15.934 -4.991 1.00 3.63 H new ATOM 0 HH22 ARG A 67 -8.962 -15.928 -6.234 1.00 3.63 H new ATOM 998 N VAL A 68 -1.481 -9.052 -5.476 1.00 0.50 N ATOM 999 CA VAL A 68 -1.014 -7.726 -5.861 1.00 0.48 C ATOM 1000 C VAL A 68 0.505 -7.628 -5.725 1.00 0.54 C ATOM 1001 O VAL A 68 1.055 -7.595 -4.626 1.00 0.95 O ATOM 1002 CB VAL A 68 -1.701 -6.605 -5.039 1.00 0.47 C ATOM 1003 CG1 VAL A 68 -3.164 -6.497 -5.423 1.00 0.90 C ATOM 1004 CG2 VAL A 68 -1.572 -6.847 -3.546 1.00 0.89 C ATOM 0 H VAL A 68 -1.712 -9.151 -4.487 1.00 0.50 H new ATOM 0 HA VAL A 68 -1.287 -7.581 -6.906 1.00 0.48 H new ATOM 0 HB VAL A 68 -1.196 -5.667 -5.270 1.00 0.47 H new ATOM 0 HG11 VAL A 68 -3.636 -5.707 -4.839 1.00 0.90 H new ATOM 0 HG12 VAL A 68 -3.245 -6.262 -6.484 1.00 0.90 H new ATOM 0 HG13 VAL A 68 -3.664 -7.444 -5.222 1.00 0.90 H new ATOM 0 HG21 VAL A 68 -2.065 -6.041 -3.003 1.00 0.89 H new ATOM 0 HG22 VAL A 68 -2.040 -7.797 -3.290 1.00 0.89 H new ATOM 0 HG23 VAL A 68 -0.517 -6.877 -3.272 1.00 0.89 H new ATOM 1014 N ASP A 69 1.179 -7.623 -6.862 1.00 0.38 N ATOM 1015 CA ASP A 69 2.630 -7.530 -6.891 1.00 0.43 C ATOM 1016 C ASP A 69 3.063 -6.075 -6.990 1.00 0.34 C ATOM 1017 O ASP A 69 4.226 -5.740 -6.763 1.00 0.41 O ATOM 1018 CB ASP A 69 3.187 -8.324 -8.079 1.00 0.65 C ATOM 1019 CG ASP A 69 2.701 -7.801 -9.421 1.00 0.97 C ATOM 1020 OD1 ASP A 69 1.474 -7.770 -9.648 1.00 1.75 O ATOM 1021 OD2 ASP A 69 3.546 -7.396 -10.250 1.00 1.65 O ATOM 0 H ASP A 69 0.743 -7.683 -7.782 1.00 0.38 H new ATOM 0 HA ASP A 69 3.024 -7.952 -5.967 1.00 0.43 H new ATOM 0 HB2 ASP A 69 4.276 -8.289 -8.054 1.00 0.65 H new ATOM 0 HB3 ASP A 69 2.899 -9.370 -7.977 1.00 0.65 H new ATOM 1026 N THR A 70 2.112 -5.212 -7.307 1.00 0.34 N ATOM 1027 CA THR A 70 2.380 -3.795 -7.467 1.00 0.31 C ATOM 1028 C THR A 70 1.379 -2.961 -6.669 1.00 0.28 C ATOM 1029 O THR A 70 0.188 -3.300 -6.609 1.00 0.28 O ATOM 1030 CB THR A 70 2.315 -3.389 -8.955 1.00 0.39 C ATOM 1031 OG1 THR A 70 1.122 -3.919 -9.553 1.00 0.50 O ATOM 1032 CG2 THR A 70 3.537 -3.886 -9.717 1.00 0.44 C ATOM 0 H THR A 70 1.138 -5.473 -7.460 1.00 0.34 H new ATOM 0 HA THR A 70 3.385 -3.604 -7.090 1.00 0.31 H new ATOM 0 HB THR A 70 2.300 -2.300 -9.009 1.00 0.39 H new ATOM 0 HG1 THR A 70 1.085 -3.657 -10.497 1.00 0.50 H new ATOM 0 HG21 THR A 70 3.462 -3.584 -10.762 1.00 0.44 H new ATOM 0 HG22 THR A 70 4.438 -3.457 -9.279 1.00 0.44 H new ATOM 0 HG23 THR A 70 3.587 -4.973 -9.656 1.00 0.44 H new ATOM 1040 N PRO A 71 1.850 -1.868 -6.035 1.00 0.29 N ATOM 1041 CA PRO A 71 0.991 -0.943 -5.288 1.00 0.29 C ATOM 1042 C PRO A 71 -0.117 -0.361 -6.153 1.00 0.27 C ATOM 1043 O PRO A 71 -1.150 0.074 -5.641 1.00 0.28 O ATOM 1044 CB PRO A 71 1.948 0.169 -4.845 1.00 0.34 C ATOM 1045 CG PRO A 71 3.300 -0.454 -4.866 1.00 0.38 C ATOM 1046 CD PRO A 71 3.269 -1.467 -5.976 1.00 0.35 C ATOM 0 HA PRO A 71 0.486 -1.443 -4.462 1.00 0.29 H new ATOM 0 HB2 PRO A 71 1.897 1.025 -5.518 1.00 0.34 H new ATOM 0 HB3 PRO A 71 1.696 0.532 -3.849 1.00 0.34 H new ATOM 0 HG2 PRO A 71 4.072 0.295 -5.042 1.00 0.38 H new ATOM 0 HG3 PRO A 71 3.527 -0.928 -3.911 1.00 0.38 H new ATOM 0 HD2 PRO A 71 3.605 -1.038 -6.920 1.00 0.35 H new ATOM 0 HD3 PRO A 71 3.918 -2.316 -5.763 1.00 0.35 H new ATOM 1054 N ARG A 72 0.117 -0.352 -7.460 1.00 0.32 N ATOM 1055 CA ARG A 72 -0.855 0.137 -8.432 1.00 0.37 C ATOM 1056 C ARG A 72 -2.216 -0.526 -8.214 1.00 0.35 C ATOM 1057 O ARG A 72 -3.226 0.149 -8.019 1.00 0.38 O ATOM 1058 CB ARG A 72 -0.360 -0.172 -9.847 1.00 0.49 C ATOM 1059 CG ARG A 72 -1.162 0.504 -10.951 1.00 0.83 C ATOM 1060 CD ARG A 72 -0.982 2.009 -10.917 1.00 1.15 C ATOM 1061 NE ARG A 72 0.419 2.389 -11.112 1.00 1.76 N ATOM 1062 CZ ARG A 72 0.863 3.649 -11.132 1.00 2.72 C ATOM 1063 NH1 ARG A 72 0.010 4.664 -11.110 1.00 3.22 N ATOM 1064 NH2 ARG A 72 2.169 3.890 -11.206 1.00 3.56 N ATOM 0 H ARG A 72 0.987 -0.684 -7.877 1.00 0.32 H new ATOM 0 HA ARG A 72 -0.966 1.214 -8.304 1.00 0.37 H new ATOM 0 HB2 ARG A 72 0.682 0.136 -9.930 1.00 0.49 H new ATOM 0 HB3 ARG A 72 -0.387 -1.251 -10.002 1.00 0.49 H new ATOM 0 HG2 ARG A 72 -0.847 0.119 -11.921 1.00 0.83 H new ATOM 0 HG3 ARG A 72 -2.218 0.259 -10.839 1.00 0.83 H new ATOM 0 HD2 ARG A 72 -1.595 2.467 -11.693 1.00 1.15 H new ATOM 0 HD3 ARG A 72 -1.335 2.397 -9.961 1.00 1.15 H new ATOM 0 HE ARG A 72 1.101 1.642 -11.241 1.00 1.76 H new ATOM 0 HH11 ARG A 72 -0.994 4.486 -11.078 1.00 3.22 H new ATOM 0 HH12 ARG A 72 0.358 5.623 -11.126 1.00 3.22 H new ATOM 0 HH21 ARG A 72 2.829 3.114 -11.247 1.00 3.56 H new ATOM 0 HH22 ARG A 72 2.510 4.851 -11.221 1.00 3.56 H new ATOM 1078 N GLU A 73 -2.218 -1.856 -8.233 1.00 0.36 N ATOM 1079 CA GLU A 73 -3.442 -2.641 -8.074 1.00 0.39 C ATOM 1080 C GLU A 73 -4.027 -2.490 -6.671 1.00 0.36 C ATOM 1081 O GLU A 73 -5.244 -2.429 -6.503 1.00 0.38 O ATOM 1082 CB GLU A 73 -3.158 -4.120 -8.356 1.00 0.47 C ATOM 1083 CG GLU A 73 -2.745 -4.400 -9.785 1.00 0.56 C ATOM 1084 CD GLU A 73 -3.832 -4.053 -10.782 1.00 1.62 C ATOM 1085 OE1 GLU A 73 -4.825 -4.798 -10.871 1.00 1.91 O ATOM 1086 OE2 GLU A 73 -3.702 -3.022 -11.478 1.00 2.43 O ATOM 0 H GLU A 73 -1.377 -2.419 -8.358 1.00 0.36 H new ATOM 0 HA GLU A 73 -4.173 -2.264 -8.789 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -2.370 -4.463 -7.686 1.00 0.47 H new ATOM 0 HB3 GLU A 73 -4.050 -4.702 -8.124 1.00 0.47 H new ATOM 0 HG2 GLU A 73 -1.846 -3.829 -10.019 1.00 0.56 H new ATOM 0 HG3 GLU A 73 -2.488 -5.454 -9.885 1.00 0.56 H new ATOM 1093 N LEU A 74 -3.153 -2.431 -5.671 1.00 0.33 N ATOM 1094 CA LEU A 74 -3.576 -2.331 -4.275 1.00 0.34 C ATOM 1095 C LEU A 74 -4.397 -1.058 -4.061 1.00 0.33 C ATOM 1096 O LEU A 74 -5.508 -1.107 -3.529 1.00 0.36 O ATOM 1097 CB LEU A 74 -2.343 -2.343 -3.359 1.00 0.34 C ATOM 1098 CG LEU A 74 -2.540 -2.997 -1.986 1.00 0.45 C ATOM 1099 CD1 LEU A 74 -1.210 -3.111 -1.262 1.00 1.22 C ATOM 1100 CD2 LEU A 74 -3.527 -2.213 -1.143 1.00 0.98 C ATOM 0 H LEU A 74 -2.142 -2.451 -5.801 1.00 0.33 H new ATOM 0 HA LEU A 74 -4.205 -3.187 -4.028 1.00 0.34 H new ATOM 0 HB2 LEU A 74 -1.535 -2.861 -3.875 1.00 0.34 H new ATOM 0 HB3 LEU A 74 -2.016 -1.314 -3.207 1.00 0.34 H new ATOM 0 HG LEU A 74 -2.947 -3.996 -2.144 1.00 0.45 H new ATOM 0 HD11 LEU A 74 -1.364 -3.577 -0.289 1.00 1.22 H new ATOM 0 HD12 LEU A 74 -0.526 -3.721 -1.852 1.00 1.22 H new ATOM 0 HD13 LEU A 74 -0.784 -2.117 -1.125 1.00 1.22 H new ATOM 0 HD21 LEU A 74 -3.647 -2.700 -0.175 1.00 0.98 H new ATOM 0 HD22 LEU A 74 -3.155 -1.199 -0.995 1.00 0.98 H new ATOM 0 HD23 LEU A 74 -4.490 -2.175 -1.652 1.00 0.98 H new ATOM 1112 N LEU A 75 -3.852 0.075 -4.491 1.00 0.31 N ATOM 1113 CA LEU A 75 -4.550 1.351 -4.384 1.00 0.33 C ATOM 1114 C LEU A 75 -5.871 1.303 -5.151 1.00 0.35 C ATOM 1115 O LEU A 75 -6.920 1.679 -4.623 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.672 2.487 -4.913 1.00 0.35 C ATOM 1117 CG LEU A 75 -4.253 3.894 -4.740 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -4.413 4.235 -3.267 1.00 1.12 C ATOM 1119 CD2 LEU A 75 -3.376 4.924 -5.436 1.00 0.91 C ATOM 0 H LEU A 75 -2.927 0.136 -4.918 1.00 0.31 H new ATOM 0 HA LEU A 75 -4.765 1.538 -3.332 1.00 0.33 H new ATOM 0 HB2 LEU A 75 -2.707 2.445 -4.408 1.00 0.35 H new ATOM 0 HB3 LEU A 75 -3.484 2.316 -5.973 1.00 0.35 H new ATOM 0 HG LEU A 75 -5.240 3.914 -5.202 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -4.827 5.239 -3.169 1.00 1.12 H new ATOM 0 HD12 LEU A 75 -5.086 3.517 -2.798 1.00 1.12 H new ATOM 0 HD13 LEU A 75 -3.441 4.194 -2.776 1.00 1.12 H new ATOM 0 HD21 LEU A 75 -3.805 5.917 -5.302 1.00 0.91 H new ATOM 0 HD22 LEU A 75 -2.375 4.900 -5.005 1.00 0.91 H new ATOM 0 HD23 LEU A 75 -3.319 4.694 -6.500 1.00 0.91 H new ATOM 1131 N ASP A 76 -5.808 0.801 -6.383 1.00 0.39 N ATOM 1132 CA ASP A 76 -6.978 0.707 -7.256 1.00 0.44 C ATOM 1133 C ASP A 76 -8.096 -0.082 -6.580 1.00 0.40 C ATOM 1134 O ASP A 76 -9.270 0.297 -6.635 1.00 0.43 O ATOM 1135 CB ASP A 76 -6.585 0.033 -8.576 1.00 0.55 C ATOM 1136 CG ASP A 76 -7.700 0.040 -9.598 1.00 0.93 C ATOM 1137 OD1 ASP A 76 -7.869 1.062 -10.301 1.00 1.16 O ATOM 1138 OD2 ASP A 76 -8.422 -0.975 -9.694 1.00 1.43 O ATOM 0 H ASP A 76 -4.948 0.449 -6.804 1.00 0.39 H new ATOM 0 HA ASP A 76 -7.343 1.714 -7.458 1.00 0.44 H new ATOM 0 HB2 ASP A 76 -5.715 0.541 -8.992 1.00 0.55 H new ATOM 0 HB3 ASP A 76 -6.288 -0.997 -8.377 1.00 0.55 H new ATOM 1143 N LEU A 77 -7.710 -1.162 -5.916 1.00 0.37 N ATOM 1144 CA LEU A 77 -8.652 -2.029 -5.222 1.00 0.38 C ATOM 1145 C LEU A 77 -9.384 -1.278 -4.114 1.00 0.34 C ATOM 1146 O LEU A 77 -10.616 -1.222 -4.103 1.00 0.39 O ATOM 1147 CB LEU A 77 -7.916 -3.234 -4.633 1.00 0.46 C ATOM 1148 CG LEU A 77 -8.775 -4.171 -3.778 1.00 0.84 C ATOM 1149 CD1 LEU A 77 -9.875 -4.807 -4.615 1.00 1.29 C ATOM 1150 CD2 LEU A 77 -7.910 -5.238 -3.124 1.00 1.66 C ATOM 0 H LEU A 77 -6.738 -1.462 -5.843 1.00 0.37 H new ATOM 0 HA LEU A 77 -9.391 -2.371 -5.946 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -7.483 -3.810 -5.451 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -7.087 -2.871 -4.025 1.00 0.46 H new ATOM 0 HG LEU A 77 -9.246 -3.582 -2.991 1.00 0.84 H new ATOM 0 HD11 LEU A 77 -10.473 -5.468 -3.988 1.00 1.29 H new ATOM 0 HD12 LEU A 77 -10.513 -4.027 -5.031 1.00 1.29 H new ATOM 0 HD13 LEU A 77 -9.429 -5.382 -5.426 1.00 1.29 H new ATOM 0 HD21 LEU A 77 -8.537 -5.895 -2.520 1.00 1.66 H new ATOM 0 HD22 LEU A 77 -7.408 -5.823 -3.895 1.00 1.66 H new ATOM 0 HD23 LEU A 77 -7.164 -4.762 -2.487 1.00 1.66 H new ATOM 1162 N ILE A 78 -8.620 -0.693 -3.195 1.00 0.31 N ATOM 1163 CA ILE A 78 -9.192 0.000 -2.046 1.00 0.31 C ATOM 1164 C ILE A 78 -10.059 1.177 -2.492 1.00 0.34 C ATOM 1165 O ILE A 78 -11.148 1.393 -1.958 1.00 0.41 O ATOM 1166 CB ILE A 78 -8.088 0.487 -1.079 1.00 0.33 C ATOM 1167 CG1 ILE A 78 -7.251 -0.706 -0.609 1.00 0.34 C ATOM 1168 CG2 ILE A 78 -8.702 1.209 0.115 1.00 0.38 C ATOM 1169 CD1 ILE A 78 -6.107 -0.330 0.308 1.00 0.40 C ATOM 0 H ILE A 78 -7.600 -0.686 -3.225 1.00 0.31 H new ATOM 0 HA ILE A 78 -9.822 -0.713 -1.515 1.00 0.31 H new ATOM 0 HB ILE A 78 -7.442 1.190 -1.606 1.00 0.33 H new ATOM 0 HG12 ILE A 78 -7.901 -1.412 -0.092 1.00 0.34 H new ATOM 0 HG13 ILE A 78 -6.850 -1.222 -1.481 1.00 0.34 H new ATOM 0 HG21 ILE A 78 -7.910 1.544 0.784 1.00 0.38 H new ATOM 0 HG22 ILE A 78 -9.271 2.071 -0.234 1.00 0.38 H new ATOM 0 HG23 ILE A 78 -9.365 0.529 0.650 1.00 0.38 H new ATOM 0 HD11 ILE A 78 -5.562 -1.229 0.597 1.00 0.40 H new ATOM 0 HD12 ILE A 78 -5.433 0.351 -0.211 1.00 0.40 H new ATOM 0 HD13 ILE A 78 -6.501 0.158 1.199 1.00 0.40 H new ATOM 1181 N ASN A 79 -9.584 1.915 -3.489 1.00 0.36 N ATOM 1182 CA ASN A 79 -10.347 3.026 -4.049 1.00 0.44 C ATOM 1183 C ASN A 79 -11.689 2.547 -4.589 1.00 0.44 C ATOM 1184 O ASN A 79 -12.731 3.121 -4.270 1.00 0.49 O ATOM 1185 CB ASN A 79 -9.563 3.717 -5.167 1.00 0.53 C ATOM 1186 CG ASN A 79 -8.424 4.577 -4.650 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -7.414 4.768 -5.327 1.00 1.67 O ATOM 1188 ND2 ASN A 79 -8.584 5.120 -3.454 1.00 0.78 N ATOM 0 H ASN A 79 -8.675 1.765 -3.926 1.00 0.36 H new ATOM 0 HA ASN A 79 -10.524 3.741 -3.246 1.00 0.44 H new ATOM 0 HB2 ASN A 79 -9.162 2.961 -5.843 1.00 0.53 H new ATOM 0 HB3 ASN A 79 -10.243 4.337 -5.750 1.00 0.53 H new ATOM 0 HD21 ASN A 79 -7.856 5.719 -3.065 1.00 0.78 H new ATOM 0 HD22 ASN A 79 -9.435 4.939 -2.921 1.00 0.78 H new ATOM 1195 N GLY A 80 -11.659 1.482 -5.383 1.00 0.43 N ATOM 1196 CA GLY A 80 -12.879 0.953 -5.976 1.00 0.47 C ATOM 1197 C GLY A 80 -13.864 0.463 -4.935 1.00 0.48 C ATOM 1198 O GLY A 80 -15.075 0.597 -5.103 1.00 0.54 O ATOM 0 H GLY A 80 -10.810 0.973 -5.629 1.00 0.43 H new ATOM 0 HA2 GLY A 80 -13.350 1.727 -6.582 1.00 0.47 H new ATOM 0 HA3 GLY A 80 -12.627 0.132 -6.648 1.00 0.47 H new ATOM 1202 N ALA A 81 -13.344 -0.084 -3.845 1.00 0.49 N ATOM 1203 CA ALA A 81 -14.185 -0.592 -2.771 1.00 0.56 C ATOM 1204 C ALA A 81 -14.859 0.557 -2.028 1.00 0.61 C ATOM 1205 O ALA A 81 -15.986 0.429 -1.549 1.00 0.73 O ATOM 1206 CB ALA A 81 -13.363 -1.430 -1.808 1.00 0.60 C ATOM 0 H ALA A 81 -12.343 -0.187 -3.681 1.00 0.49 H new ATOM 0 HA ALA A 81 -14.959 -1.221 -3.210 1.00 0.56 H new ATOM 0 HB1 ALA A 81 -14.006 -1.803 -1.010 1.00 0.60 H new ATOM 0 HB2 ALA A 81 -12.923 -2.272 -2.343 1.00 0.60 H new ATOM 0 HB3 ALA A 81 -12.570 -0.818 -1.379 1.00 0.60 H new ATOM 1212 N LEU A 82 -14.165 1.683 -1.949 1.00 0.57 N ATOM 1213 CA LEU A 82 -14.695 2.870 -1.296 1.00 0.64 C ATOM 1214 C LEU A 82 -15.658 3.612 -2.219 1.00 0.70 C ATOM 1215 O LEU A 82 -16.553 4.322 -1.761 1.00 0.87 O ATOM 1216 CB LEU A 82 -13.552 3.795 -0.865 1.00 0.64 C ATOM 1217 CG LEU A 82 -12.648 3.236 0.241 1.00 0.52 C ATOM 1218 CD1 LEU A 82 -11.506 4.191 0.543 1.00 0.83 C ATOM 1219 CD2 LEU A 82 -13.454 2.970 1.502 1.00 0.85 C ATOM 0 H LEU A 82 -13.227 1.799 -2.332 1.00 0.57 H new ATOM 0 HA LEU A 82 -15.245 2.556 -0.409 1.00 0.64 H new ATOM 0 HB2 LEU A 82 -12.938 4.019 -1.737 1.00 0.64 H new ATOM 0 HB3 LEU A 82 -13.977 4.739 -0.524 1.00 0.64 H new ATOM 0 HG LEU A 82 -12.225 2.296 -0.112 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -10.880 3.772 1.330 1.00 0.83 H new ATOM 0 HD12 LEU A 82 -10.908 4.339 -0.356 1.00 0.83 H new ATOM 0 HD13 LEU A 82 -11.910 5.149 0.872 1.00 0.83 H new ATOM 0 HD21 LEU A 82 -12.797 2.574 2.277 1.00 0.85 H new ATOM 0 HD22 LEU A 82 -13.904 3.900 1.849 1.00 0.85 H new ATOM 0 HD23 LEU A 82 -14.239 2.245 1.286 1.00 0.85 H new ATOM 1231 N ALA A 83 -15.472 3.433 -3.520 1.00 0.63 N ATOM 1232 CA ALA A 83 -16.313 4.080 -4.517 1.00 0.71 C ATOM 1233 C ALA A 83 -17.752 3.577 -4.444 1.00 0.85 C ATOM 1234 O ALA A 83 -18.697 4.325 -4.710 1.00 1.05 O ATOM 1235 CB ALA A 83 -15.744 3.848 -5.907 1.00 0.70 C ATOM 0 H ALA A 83 -14.740 2.840 -3.911 1.00 0.63 H new ATOM 0 HA ALA A 83 -16.324 5.150 -4.307 1.00 0.71 H new ATOM 0 HB1 ALA A 83 -16.380 4.335 -6.646 1.00 0.70 H new ATOM 0 HB2 ALA A 83 -14.738 4.264 -5.962 1.00 0.70 H new ATOM 0 HB3 ALA A 83 -15.706 2.778 -6.111 1.00 0.70 H new ATOM 1241 N GLU A 84 -17.914 2.311 -4.083 1.00 0.89 N ATOM 1242 CA GLU A 84 -19.237 1.710 -3.981 1.00 1.11 C ATOM 1243 C GLU A 84 -19.751 1.761 -2.545 1.00 1.29 C ATOM 1244 O GLU A 84 -20.834 1.255 -2.247 1.00 1.58 O ATOM 1245 CB GLU A 84 -19.205 0.253 -4.447 1.00 1.25 C ATOM 1246 CG GLU A 84 -18.742 0.063 -5.881 1.00 1.81 C ATOM 1247 CD GLU A 84 -18.899 -1.372 -6.343 1.00 2.11 C ATOM 1248 OE1 GLU A 84 -19.986 -1.722 -6.847 1.00 2.39 O ATOM 1249 OE2 GLU A 84 -17.945 -2.160 -6.193 1.00 2.67 O ATOM 0 H GLU A 84 -17.145 1.680 -3.856 1.00 0.89 H new ATOM 0 HA GLU A 84 -19.907 2.283 -4.622 1.00 1.11 H new ATOM 0 HB2 GLU A 84 -18.546 -0.312 -3.788 1.00 1.25 H new ATOM 0 HB3 GLU A 84 -20.203 -0.172 -4.341 1.00 1.25 H new ATOM 0 HG2 GLU A 84 -19.314 0.720 -6.537 1.00 1.81 H new ATOM 0 HG3 GLU A 84 -17.696 0.359 -5.967 1.00 1.81 H new ATOM 1256 N ALA A 85 -18.977 2.375 -1.659 1.00 1.27 N ATOM 1257 CA ALA A 85 -19.329 2.414 -0.245 1.00 1.57 C ATOM 1258 C ALA A 85 -20.311 3.542 0.042 1.00 1.83 C ATOM 1259 O ALA A 85 -19.985 4.717 -0.113 1.00 2.45 O ATOM 1260 CB ALA A 85 -18.081 2.564 0.615 1.00 1.74 C ATOM 0 H ALA A 85 -18.105 2.851 -1.893 1.00 1.27 H new ATOM 0 HA ALA A 85 -19.812 1.470 0.007 1.00 1.57 H new ATOM 0 HB1 ALA A 85 -18.365 2.591 1.667 1.00 1.74 H new ATOM 0 HB2 ALA A 85 -17.415 1.719 0.441 1.00 1.74 H new ATOM 0 HB3 ALA A 85 -17.568 3.490 0.354 1.00 1.74 H new ATOM 1266 N ALA A 86 -21.517 3.172 0.446 1.00 2.09 N ATOM 1267 CA ALA A 86 -22.538 4.140 0.809 1.00 2.63 C ATOM 1268 C ALA A 86 -23.283 3.663 2.046 1.00 3.28 C ATOM 1269 O ALA A 86 -22.883 4.045 3.162 1.00 3.73 O ATOM 1270 CB ALA A 86 -23.500 4.356 -0.352 1.00 3.12 C ATOM 1271 OXT ALA A 86 -24.233 2.864 1.902 1.00 3.82 O ATOM 0 H ALA A 86 -21.813 2.200 0.531 1.00 2.09 H new ATOM 0 HA ALA A 86 -22.061 5.094 1.035 1.00 2.63 H new ATOM 0 HB1 ALA A 86 -24.259 5.084 -0.065 1.00 3.12 H new ATOM 0 HB2 ALA A 86 -22.950 4.728 -1.216 1.00 3.12 H new ATOM 0 HB3 ALA A 86 -23.981 3.411 -0.607 1.00 3.12 H new TER 1277 ALA A 86 HETATM 1278 P24 SXO A 87 8.656 -12.744 5.097 1.00 1.12 P HETATM 1279 O26 SXO A 87 9.746 -12.606 6.188 1.00 1.48 O HETATM 1280 O23 SXO A 87 8.940 -13.673 3.890 1.00 1.45 O HETATM 1281 O27 SXO A 87 7.339 -13.240 5.788 1.00 1.11 O HETATM 1282 C28 SXO A 87 6.763 -12.428 6.860 1.00 1.02 C HETATM 1283 C29 SXO A 87 5.561 -13.130 7.494 1.00 1.15 C HETATM 1284 C30 SXO A 87 4.817 -12.078 8.303 1.00 1.14 C HETATM 1285 C31 SXO A 87 4.657 -13.694 6.402 1.00 1.22 C HETATM 1286 C32 SXO A 87 6.045 -14.301 8.410 1.00 1.49 C HETATM 1287 O33 SXO A 87 6.945 -15.150 7.691 1.00 1.65 O HETATM 1288 C34 SXO A 87 4.861 -15.142 8.901 1.00 1.70 C HETATM 1289 O35 SXO A 87 4.728 -16.307 8.525 1.00 1.95 O HETATM 1290 N36 SXO A 87 4.018 -14.561 9.740 1.00 1.69 N HETATM 1291 C37 SXO A 87 2.842 -15.217 10.304 1.00 1.95 C HETATM 1292 C38 SXO A 87 1.579 -14.390 10.105 1.00 1.97 C HETATM 1293 C39 SXO A 87 1.053 -14.446 8.680 1.00 1.75 C HETATM 1294 O40 SXO A 87 1.248 -15.422 7.953 1.00 2.21 O HETATM 1295 N41 SXO A 87 0.368 -13.371 8.301 1.00 1.79 N HETATM 1296 C42 SXO A 87 -0.223 -13.219 6.975 1.00 1.94 C HETATM 1297 C43 SXO A 87 -0.675 -11.794 6.712 1.00 1.99 C HETATM 1298 S1 SXO A 87 -1.263 -11.648 5.092 1.00 1.96 S HETATM 1299 C1 SXO A 87 -1.702 -9.963 5.134 1.00 1.93 C HETATM 1300 O1 SXO A 87 -1.565 -9.235 6.121 1.00 2.52 O HETATM 1301 C2 SXO A 87 -2.294 -9.428 3.838 1.00 2.08 C HETATM 1302 C3 SXO A 87 -1.298 -9.429 2.682 1.00 1.81 C HETATM 1303 C4 SXO A 87 -0.121 -8.497 2.944 1.00 1.94 C HETATM 1304 C5 SXO A 87 -0.564 -7.039 3.027 1.00 1.78 C HETATM 1305 C6 SXO A 87 -1.112 -6.534 1.699 1.00 1.64 C HETATM 1306 C7 SXO A 87 -1.648 -5.112 1.813 1.00 1.79 C HETATM 1307 C8 SXO A 87 -0.542 -4.152 2.199 1.00 1.84 C HETATM 0 HO33 SXO A 87 7.181 -14.729 6.838 1.00 1.65 H new HETATM 0 HN41 SXO A 87 0.249 -12.612 8.973 1.00 1.79 H new HETATM 0 HN36 SXO A 87 4.202 -13.594 10.009 1.00 1.69 H new HETATM 0 H43A SXO A 87 -1.458 -11.516 7.418 1.00 1.99 H new HETATM 0 H42A SXO A 87 0.504 -13.514 6.218 1.00 1.94 H new HETATM 0 H38A SXO A 87 0.806 -14.746 10.786 1.00 1.97 H new HETATM 0 H37A SXO A 87 2.713 -16.194 9.838 1.00 1.95 H new HETATM 0 H31B SXO A 87 4.305 -12.882 5.765 1.00 1.22 H new HETATM 0 H31A SXO A 87 5.216 -14.410 5.801 1.00 1.22 H new HETATM 0 H30B SXO A 87 5.478 -11.674 9.069 1.00 1.14 H new HETATM 0 H30A SXO A 87 4.492 -11.274 7.643 1.00 1.14 H new HETATM 0 H28A SXO A 87 7.519 -12.235 7.621 1.00 1.02 H new HETATM 0 H8B SXO A 87 -0.122 -4.448 3.160 1.00 1.84 H new HETATM 0 H8A SXO A 87 0.240 -4.173 1.440 1.00 1.84 H new HETATM 0 H8 SXO A 87 -0.946 -3.143 2.275 1.00 1.84 H new HETATM 0 H7A SXO A 87 -2.087 -4.806 0.863 1.00 1.79 H new HETATM 0 H7 SXO A 87 -2.443 -5.076 2.557 1.00 1.79 H new HETATM 0 H6A SXO A 87 -0.326 -6.567 0.945 1.00 1.64 H new HETATM 0 H6 SXO A 87 -1.908 -7.196 1.359 1.00 1.64 H new HETATM 0 H5A SXO A 87 -1.328 -6.935 3.798 1.00 1.78 H new HETATM 0 H5 SXO A 87 0.280 -6.420 3.330 1.00 1.78 H new HETATM 0 H4A SXO A 87 0.369 -8.782 3.875 1.00 1.94 H new HETATM 0 H43 SXO A 87 0.155 -11.106 6.869 1.00 1.99 H new HETATM 0 H42 SXO A 87 -1.074 -13.893 6.878 1.00 1.94 H new HETATM 0 H4 SXO A 87 0.616 -8.609 2.149 1.00 1.94 H new HETATM 0 H3A SXO A 87 -0.930 -10.442 2.521 1.00 1.81 H new HETATM 0 H38 SXO A 87 1.784 -13.353 10.371 1.00 1.97 H new HETATM 0 H37 SXO A 87 2.999 -15.390 11.369 1.00 1.95 H new HETATM 0 H32 SXO A 87 6.552 -13.861 9.269 1.00 1.49 H new HETATM 0 H31 SXO A 87 3.802 -14.193 6.859 1.00 1.22 H new HETATM 0 H30 SXO A 87 3.947 -12.532 8.777 1.00 1.14 H new HETATM 0 H3 SXO A 87 -1.805 -9.125 1.766 1.00 1.81 H new HETATM 0 H2A SXO A 87 -3.160 -10.031 3.565 1.00 2.08 H new HETATM 0 H28 SXO A 87 6.456 -11.460 6.463 1.00 1.02 H new HETATM 0 H2 SXO A 87 -2.652 -8.411 4.001 1.00 2.08 H new