USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 532 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 158:sc= -0.112 (180deg=-0.662) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.64! K(o=-1.6!,f=-0.24) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.017 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -86:sc= 0.0684 USER MOD Single : A 61 HIS : no HE2:sc= -0.513 K(o=0.32,f=-6.1!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0403 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.162 5.657 15.086 1.00 11.05 N ATOM 2 CA GLY A 1 6.616 5.155 13.769 1.00 71.34 C ATOM 3 C GLY A 1 6.920 3.674 13.811 1.00 2.11 C ATOM 4 O GLY A 1 7.959 3.257 14.326 1.00 4.30 O ATOM 0 H1 GLY A 1 5.963 6.676 15.019 1.00 11.05 H new ATOM 0 H2 GLY A 1 5.298 5.153 15.370 1.00 11.05 H new ATOM 0 H3 GLY A 1 6.906 5.495 15.794 1.00 11.05 H new ATOM 0 HA2 GLY A 1 5.847 5.348 13.021 1.00 71.34 H new ATOM 0 HA3 GLY A 1 7.507 5.701 13.458 1.00 71.34 H new ATOM 10 N ALA A 2 6.011 2.875 13.283 1.00 5.05 N ATOM 11 CA ALA A 2 6.171 1.431 13.287 1.00 42.22 C ATOM 12 C ALA A 2 6.438 0.918 11.880 1.00 15.44 C ATOM 13 O ALA A 2 5.577 0.996 11.006 1.00 23.35 O ATOM 14 CB ALA A 2 4.941 0.754 13.877 1.00 4.23 C ATOM 0 H ALA A 2 5.151 3.203 12.844 1.00 5.05 H new ATOM 0 HA ALA A 2 7.030 1.186 13.912 1.00 42.22 H new ATOM 0 HB1 ALA A 2 5.082 -0.327 13.870 1.00 4.23 H new ATOM 0 HB2 ALA A 2 4.795 1.095 14.902 1.00 4.23 H new ATOM 0 HB3 ALA A 2 4.064 1.009 13.281 1.00 4.23 H new ATOM 20 N MET A 3 7.638 0.407 11.664 1.00 11.13 N ATOM 21 CA MET A 3 8.015 -0.123 10.364 1.00 61.34 C ATOM 22 C MET A 3 7.549 -1.563 10.229 1.00 43.34 C ATOM 23 O MET A 3 8.086 -2.465 10.874 1.00 1.44 O ATOM 24 CB MET A 3 9.530 -0.033 10.152 1.00 73.54 C ATOM 25 CG MET A 3 10.036 1.376 9.866 1.00 11.14 C ATOM 26 SD MET A 3 9.965 2.471 11.302 1.00 3.42 S ATOM 27 CE MET A 3 11.146 1.678 12.392 1.00 54.42 C ATOM 0 H MET A 3 8.369 0.348 12.373 1.00 11.13 H new ATOM 0 HA MET A 3 7.529 0.480 9.597 1.00 61.34 H new ATOM 0 HB2 MET A 3 10.034 -0.415 11.040 1.00 73.54 H new ATOM 0 HB3 MET A 3 9.809 -0.683 9.323 1.00 73.54 H new ATOM 0 HG2 MET A 3 11.066 1.319 9.512 1.00 11.14 H new ATOM 0 HG3 MET A 3 9.445 1.809 9.059 1.00 11.14 H new ATOM 0 HE1 MET A 3 11.509 2.401 13.123 1.00 54.42 H new ATOM 0 HE2 MET A 3 10.663 0.849 12.910 1.00 54.42 H new ATOM 0 HE3 MET A 3 11.985 1.301 11.807 1.00 54.42 H new ATOM 37 N ALA A 4 6.536 -1.769 9.400 1.00 34.01 N ATOM 38 CA ALA A 4 5.957 -3.085 9.212 1.00 54.21 C ATOM 39 C ALA A 4 6.759 -3.899 8.206 1.00 63.11 C ATOM 40 O ALA A 4 6.507 -3.848 7.003 1.00 14.44 O ATOM 41 CB ALA A 4 4.503 -2.969 8.772 1.00 13.13 C ATOM 0 H ALA A 4 6.098 -1.034 8.845 1.00 34.01 H new ATOM 0 HA ALA A 4 5.990 -3.608 10.168 1.00 54.21 H new ATOM 0 HB1 ALA A 4 4.084 -3.966 8.635 1.00 13.13 H new ATOM 0 HB2 ALA A 4 3.934 -2.437 9.534 1.00 13.13 H new ATOM 0 HB3 ALA A 4 4.450 -2.421 7.831 1.00 13.13 H new ATOM 47 N PHE A 5 7.744 -4.627 8.705 1.00 4.30 N ATOM 48 CA PHE A 5 8.530 -5.524 7.872 1.00 0.02 C ATOM 49 C PHE A 5 8.351 -6.961 8.345 1.00 64.52 C ATOM 50 O PHE A 5 9.314 -7.645 8.695 1.00 33.40 O ATOM 51 CB PHE A 5 10.011 -5.132 7.887 1.00 62.25 C ATOM 52 CG PHE A 5 10.305 -3.860 7.146 1.00 14.12 C ATOM 53 CD1 PHE A 5 10.432 -3.864 5.766 1.00 51.31 C ATOM 54 CD2 PHE A 5 10.452 -2.663 7.826 1.00 24.41 C ATOM 55 CE1 PHE A 5 10.698 -2.697 5.078 1.00 23.35 C ATOM 56 CE2 PHE A 5 10.718 -1.492 7.143 1.00 73.24 C ATOM 57 CZ PHE A 5 10.842 -1.508 5.768 1.00 35.45 C ATOM 0 H PHE A 5 8.020 -4.615 9.687 1.00 4.30 H new ATOM 0 HA PHE A 5 8.175 -5.443 6.845 1.00 0.02 H new ATOM 0 HB2 PHE A 5 10.339 -5.024 8.921 1.00 62.25 H new ATOM 0 HB3 PHE A 5 10.596 -5.941 7.450 1.00 62.25 H new ATOM 0 HD1 PHE A 5 10.322 -4.791 5.222 1.00 51.31 H new ATOM 0 HD2 PHE A 5 10.358 -2.645 8.902 1.00 24.41 H new ATOM 0 HE1 PHE A 5 10.793 -2.713 4.002 1.00 23.35 H new ATOM 0 HE2 PHE A 5 10.829 -0.564 7.685 1.00 73.24 H new ATOM 0 HZ PHE A 5 11.051 -0.594 5.233 1.00 35.45 H new ATOM 67 N ASP A 6 7.107 -7.409 8.349 1.00 51.21 N ATOM 68 CA ASP A 6 6.769 -8.761 8.764 1.00 62.13 C ATOM 69 C ASP A 6 5.585 -9.254 7.952 1.00 61.15 C ATOM 70 O ASP A 6 4.718 -8.464 7.586 1.00 40.12 O ATOM 71 CB ASP A 6 6.432 -8.797 10.260 1.00 34.35 C ATOM 72 CG ASP A 6 6.063 -10.187 10.744 1.00 51.42 C ATOM 73 OD1 ASP A 6 6.978 -11.014 10.946 1.00 1.44 O ATOM 74 OD2 ASP A 6 4.860 -10.465 10.929 1.00 63.52 O ATOM 0 H ASP A 6 6.304 -6.848 8.065 1.00 51.21 H new ATOM 0 HA ASP A 6 7.627 -9.411 8.591 1.00 62.13 H new ATOM 0 HB2 ASP A 6 7.287 -8.434 10.830 1.00 34.35 H new ATOM 0 HB3 ASP A 6 5.604 -8.116 10.458 1.00 34.35 H new ATOM 79 N GLY A 7 5.564 -10.540 7.647 1.00 52.22 N ATOM 80 CA GLY A 7 4.464 -11.099 6.892 1.00 65.25 C ATOM 81 C GLY A 7 4.597 -12.595 6.738 1.00 52.40 C ATOM 82 O GLY A 7 5.672 -13.145 6.988 1.00 33.04 O ATOM 0 H GLY A 7 6.289 -11.208 7.909 1.00 52.22 H new ATOM 0 HA2 GLY A 7 3.524 -10.867 7.392 1.00 65.25 H new ATOM 0 HA3 GLY A 7 4.425 -10.634 5.907 1.00 65.25 H new ATOM 86 N GLU A 8 3.519 -13.259 6.343 1.00 43.22 N ATOM 87 CA GLU A 8 3.553 -14.700 6.153 1.00 51.22 C ATOM 88 C GLU A 8 4.090 -15.048 4.773 1.00 64.32 C ATOM 89 O GLU A 8 4.118 -14.206 3.875 1.00 24.41 O ATOM 90 CB GLU A 8 2.171 -15.317 6.368 1.00 11.01 C ATOM 91 CG GLU A 8 1.078 -14.756 5.479 1.00 11.41 C ATOM 92 CD GLU A 8 -0.250 -15.434 5.735 1.00 75.22 C ATOM 93 OE1 GLU A 8 -0.825 -15.230 6.826 1.00 54.23 O ATOM 94 OE2 GLU A 8 -0.716 -16.195 4.862 1.00 0.32 O ATOM 0 H GLU A 8 2.616 -12.825 6.149 1.00 43.22 H new ATOM 0 HA GLU A 8 4.227 -15.121 6.899 1.00 51.22 H new ATOM 0 HB2 GLU A 8 2.239 -16.392 6.202 1.00 11.01 H new ATOM 0 HB3 GLU A 8 1.882 -15.173 7.409 1.00 11.01 H new ATOM 0 HG2 GLU A 8 0.980 -13.685 5.654 1.00 11.41 H new ATOM 0 HG3 GLU A 8 1.357 -14.884 4.433 1.00 11.41 H new ATOM 101 N ASP A 9 4.514 -16.288 4.604 1.00 41.24 N ATOM 102 CA ASP A 9 5.190 -16.700 3.379 1.00 1.31 C ATOM 103 C ASP A 9 4.214 -17.327 2.384 1.00 4.13 C ATOM 104 O ASP A 9 4.544 -17.522 1.216 1.00 53.04 O ATOM 105 CB ASP A 9 6.311 -17.692 3.723 1.00 61.24 C ATOM 106 CG ASP A 9 7.073 -18.176 2.506 1.00 63.12 C ATOM 107 OD1 ASP A 9 7.865 -17.393 1.944 1.00 73.53 O ATOM 108 OD2 ASP A 9 6.881 -19.343 2.102 1.00 73.53 O ATOM 0 H ASP A 9 4.404 -17.029 5.296 1.00 41.24 H new ATOM 0 HA ASP A 9 5.616 -15.815 2.907 1.00 1.31 H new ATOM 0 HB2 ASP A 9 7.007 -17.218 4.415 1.00 61.24 H new ATOM 0 HB3 ASP A 9 5.882 -18.550 4.240 1.00 61.24 H new ATOM 113 N GLU A 10 2.996 -17.596 2.828 1.00 60.11 N ATOM 114 CA GLU A 10 2.025 -18.284 1.983 1.00 31.41 C ATOM 115 C GLU A 10 1.260 -17.319 1.082 1.00 21.22 C ATOM 116 O GLU A 10 0.341 -17.722 0.368 1.00 10.44 O ATOM 117 CB GLU A 10 1.056 -19.102 2.830 1.00 15.42 C ATOM 118 CG GLU A 10 1.749 -20.167 3.662 1.00 44.11 C ATOM 119 CD GLU A 10 0.800 -21.236 4.149 1.00 22.31 C ATOM 120 OE1 GLU A 10 0.091 -21.000 5.149 1.00 43.32 O ATOM 121 OE2 GLU A 10 0.768 -22.322 3.535 1.00 10.15 O ATOM 0 H GLU A 10 2.656 -17.353 3.758 1.00 60.11 H new ATOM 0 HA GLU A 10 2.586 -18.959 1.336 1.00 31.41 H new ATOM 0 HB2 GLU A 10 0.506 -18.433 3.492 1.00 15.42 H new ATOM 0 HB3 GLU A 10 0.324 -19.578 2.177 1.00 15.42 H new ATOM 0 HG2 GLU A 10 2.537 -20.630 3.068 1.00 44.11 H new ATOM 0 HG3 GLU A 10 2.230 -19.696 4.519 1.00 44.11 H new ATOM 128 N VAL A 11 1.641 -16.053 1.110 1.00 43.41 N ATOM 129 CA VAL A 11 1.085 -15.080 0.184 1.00 0.02 C ATOM 130 C VAL A 11 1.940 -15.031 -1.078 1.00 25.54 C ATOM 131 O VAL A 11 3.113 -15.415 -1.054 1.00 3.11 O ATOM 132 CB VAL A 11 0.992 -13.672 0.810 1.00 24.13 C ATOM 133 CG1 VAL A 11 0.016 -13.673 1.976 1.00 64.12 C ATOM 134 CG2 VAL A 11 2.361 -13.176 1.254 1.00 63.45 C ATOM 0 H VAL A 11 2.330 -15.676 1.761 1.00 43.41 H new ATOM 0 HA VAL A 11 0.071 -15.396 -0.063 1.00 0.02 H new ATOM 0 HB VAL A 11 0.621 -12.987 0.048 1.00 24.13 H new ATOM 0 HG11 VAL A 11 -0.038 -12.673 2.406 1.00 64.12 H new ATOM 0 HG12 VAL A 11 -0.972 -13.970 1.623 1.00 64.12 H new ATOM 0 HG13 VAL A 11 0.357 -14.377 2.735 1.00 64.12 H new ATOM 0 HG21 VAL A 11 2.264 -12.182 1.691 1.00 63.45 H new ATOM 0 HG22 VAL A 11 2.773 -13.860 1.996 1.00 63.45 H new ATOM 0 HG23 VAL A 11 3.028 -13.130 0.393 1.00 63.45 H new ATOM 144 N THR A 12 1.366 -14.560 -2.172 1.00 70.50 N ATOM 145 CA THR A 12 2.068 -14.548 -3.445 1.00 1.11 C ATOM 146 C THR A 12 2.778 -13.215 -3.647 1.00 11.01 C ATOM 147 O THR A 12 3.869 -13.162 -4.214 1.00 33.23 O ATOM 148 CB THR A 12 1.098 -14.814 -4.615 1.00 41.31 C ATOM 149 OG1 THR A 12 0.346 -16.008 -4.354 1.00 35.12 O ATOM 150 CG2 THR A 12 1.847 -14.971 -5.932 1.00 41.43 C ATOM 0 H THR A 12 0.419 -14.182 -2.205 1.00 70.50 H new ATOM 0 HA THR A 12 2.810 -15.346 -3.427 1.00 1.11 H new ATOM 0 HB THR A 12 0.429 -13.958 -4.700 1.00 41.31 H new ATOM 0 HG1 THR A 12 -0.271 -16.175 -5.097 1.00 35.12 H new ATOM 0 HG21 THR A 12 1.135 -15.157 -6.736 1.00 41.43 H new ATOM 0 HG22 THR A 12 2.404 -14.058 -6.145 1.00 41.43 H new ATOM 0 HG23 THR A 12 2.539 -15.810 -5.859 1.00 41.43 H new ATOM 158 N GLY A 13 2.164 -12.145 -3.163 1.00 74.11 N ATOM 159 CA GLY A 13 2.798 -10.843 -3.215 1.00 24.35 C ATOM 160 C GLY A 13 3.760 -10.648 -2.058 1.00 20.12 C ATOM 161 O GLY A 13 3.326 -10.513 -0.913 1.00 23.01 O ATOM 0 H GLY A 13 1.238 -12.155 -2.735 1.00 74.11 H new ATOM 0 HA2 GLY A 13 3.334 -10.735 -4.158 1.00 24.35 H new ATOM 0 HA3 GLY A 13 2.036 -10.064 -3.191 1.00 24.35 H new ATOM 165 N PRO A 14 5.077 -10.632 -2.323 1.00 50.02 N ATOM 166 CA PRO A 14 6.093 -10.547 -1.271 1.00 53.44 C ATOM 167 C PRO A 14 5.997 -9.240 -0.487 1.00 43.25 C ATOM 168 O PRO A 14 5.638 -9.233 0.691 1.00 4.34 O ATOM 169 CB PRO A 14 7.423 -10.637 -2.032 1.00 13.12 C ATOM 170 CG PRO A 14 7.097 -10.254 -3.436 1.00 23.02 C ATOM 171 CD PRO A 14 5.676 -10.683 -3.669 1.00 22.45 C ATOM 0 HA PRO A 14 5.976 -11.334 -0.526 1.00 53.44 H new ATOM 0 HB2 PRO A 14 8.168 -9.966 -1.604 1.00 13.12 H new ATOM 0 HB3 PRO A 14 7.836 -11.644 -1.985 1.00 13.12 H new ATOM 0 HG2 PRO A 14 7.208 -9.180 -3.582 1.00 23.02 H new ATOM 0 HG3 PRO A 14 7.771 -10.743 -4.139 1.00 23.02 H new ATOM 0 HD2 PRO A 14 5.164 -10.016 -4.362 1.00 22.45 H new ATOM 0 HD3 PRO A 14 5.624 -11.685 -4.094 1.00 22.45 H new ATOM 179 N ASP A 15 6.284 -8.135 -1.159 1.00 30.14 N ATOM 180 CA ASP A 15 6.215 -6.815 -0.544 1.00 54.03 C ATOM 181 C ASP A 15 4.768 -6.414 -0.296 1.00 0.54 C ATOM 182 O ASP A 15 4.485 -5.571 0.557 1.00 35.33 O ATOM 183 CB ASP A 15 6.907 -5.781 -1.434 1.00 72.14 C ATOM 184 CG ASP A 15 6.397 -5.803 -2.862 1.00 44.42 C ATOM 185 OD1 ASP A 15 6.820 -6.693 -3.632 1.00 3.41 O ATOM 186 OD2 ASP A 15 5.589 -4.932 -3.224 1.00 2.24 O ATOM 0 H ASP A 15 6.569 -8.126 -2.138 1.00 30.14 H new ATOM 0 HA ASP A 15 6.730 -6.854 0.416 1.00 54.03 H new ATOM 0 HB2 ASP A 15 6.756 -4.787 -1.014 1.00 72.14 H new ATOM 0 HB3 ASP A 15 7.981 -5.967 -1.433 1.00 72.14 H new ATOM 191 N ALA A 16 3.864 -7.059 -1.021 1.00 22.41 N ATOM 192 CA ALA A 16 2.439 -6.767 -0.944 1.00 3.13 C ATOM 193 C ALA A 16 1.894 -6.897 0.475 1.00 42.50 C ATOM 194 O ALA A 16 1.162 -6.027 0.941 1.00 21.41 O ATOM 195 CB ALA A 16 1.668 -7.688 -1.877 1.00 11.11 C ATOM 0 H ALA A 16 4.099 -7.801 -1.680 1.00 22.41 H new ATOM 0 HA ALA A 16 2.306 -5.730 -1.251 1.00 3.13 H new ATOM 0 HB1 ALA A 16 0.603 -7.463 -1.813 1.00 11.11 H new ATOM 0 HB2 ALA A 16 2.010 -7.538 -2.901 1.00 11.11 H new ATOM 0 HB3 ALA A 16 1.837 -8.725 -1.587 1.00 11.11 H new ATOM 201 N ASP A 17 2.256 -7.977 1.158 1.00 22.04 N ATOM 202 CA ASP A 17 1.681 -8.273 2.470 1.00 42.44 C ATOM 203 C ASP A 17 2.052 -7.229 3.521 1.00 61.12 C ATOM 204 O ASP A 17 1.170 -6.653 4.157 1.00 31.34 O ATOM 205 CB ASP A 17 2.097 -9.656 2.957 1.00 32.35 C ATOM 206 CG ASP A 17 1.483 -9.975 4.306 1.00 4.55 C ATOM 207 OD1 ASP A 17 0.270 -10.257 4.359 1.00 54.11 O ATOM 208 OD2 ASP A 17 2.209 -9.936 5.318 1.00 55.12 O ATOM 0 H ASP A 17 2.940 -8.659 0.830 1.00 22.04 H new ATOM 0 HA ASP A 17 0.599 -8.248 2.338 1.00 42.44 H new ATOM 0 HB2 ASP A 17 1.790 -10.407 2.229 1.00 32.35 H new ATOM 0 HB3 ASP A 17 3.183 -9.707 3.029 1.00 32.35 H new ATOM 213 N ARG A 18 3.348 -6.981 3.702 1.00 50.41 N ATOM 214 CA ARG A 18 3.797 -6.029 4.722 1.00 23.31 C ATOM 215 C ARG A 18 3.301 -4.618 4.410 1.00 53.31 C ATOM 216 O ARG A 18 3.007 -3.844 5.320 1.00 32.12 O ATOM 217 CB ARG A 18 5.330 -6.036 4.901 1.00 4.04 C ATOM 218 CG ARG A 18 6.139 -6.004 3.611 1.00 21.13 C ATOM 219 CD ARG A 18 6.367 -7.404 3.051 1.00 44.53 C ATOM 220 NE ARG A 18 7.204 -8.238 3.924 1.00 20.41 N ATOM 221 CZ ARG A 18 7.161 -9.575 3.941 1.00 51.13 C ATOM 222 NH1 ARG A 18 6.327 -10.221 3.136 1.00 74.14 N ATOM 223 NH2 ARG A 18 7.969 -10.262 4.741 1.00 5.22 N ATOM 0 H ARG A 18 4.098 -7.418 3.166 1.00 50.41 H new ATOM 0 HA ARG A 18 3.361 -6.354 5.667 1.00 23.31 H new ATOM 0 HB2 ARG A 18 5.612 -5.176 5.508 1.00 4.04 H new ATOM 0 HB3 ARG A 18 5.609 -6.927 5.463 1.00 4.04 H new ATOM 0 HG2 ARG A 18 5.619 -5.397 2.871 1.00 21.13 H new ATOM 0 HG3 ARG A 18 7.101 -5.526 3.797 1.00 21.13 H new ATOM 0 HD2 ARG A 18 5.404 -7.893 2.904 1.00 44.53 H new ATOM 0 HD3 ARG A 18 6.838 -7.326 2.071 1.00 44.53 H new ATOM 0 HE ARG A 18 7.856 -7.770 4.554 1.00 20.41 H new ATOM 0 HH11 ARG A 18 5.720 -9.698 2.505 1.00 74.14 H new ATOM 0 HH12 ARG A 18 6.293 -11.240 3.148 1.00 74.14 H new ATOM 0 HH21 ARG A 18 8.626 -9.770 5.346 1.00 5.22 H new ATOM 0 HH22 ARG A 18 7.932 -11.281 4.750 1.00 5.22 H new ATOM 237 N ALA A 19 3.184 -4.293 3.127 1.00 3.14 N ATOM 238 CA ALA A 19 2.636 -3.006 2.722 1.00 61.00 C ATOM 239 C ALA A 19 1.146 -2.940 3.047 1.00 2.15 C ATOM 240 O ALA A 19 0.652 -1.948 3.584 1.00 45.14 O ATOM 241 CB ALA A 19 2.872 -2.772 1.237 1.00 21.41 C ATOM 0 H ALA A 19 3.460 -4.900 2.355 1.00 3.14 H new ATOM 0 HA ALA A 19 3.146 -2.219 3.278 1.00 61.00 H new ATOM 0 HB1 ALA A 19 2.456 -1.806 0.950 1.00 21.41 H new ATOM 0 HB2 ALA A 19 3.943 -2.782 1.033 1.00 21.41 H new ATOM 0 HB3 ALA A 19 2.386 -3.561 0.663 1.00 21.41 H new ATOM 247 N ARG A 20 0.449 -4.020 2.726 1.00 51.04 N ATOM 248 CA ARG A 20 -0.973 -4.153 3.008 1.00 21.21 C ATOM 249 C ARG A 20 -1.243 -4.053 4.508 1.00 44.14 C ATOM 250 O ARG A 20 -2.131 -3.319 4.940 1.00 15.41 O ATOM 251 CB ARG A 20 -1.466 -5.497 2.463 1.00 43.34 C ATOM 252 CG ARG A 20 -2.914 -5.816 2.784 1.00 30.41 C ATOM 253 CD ARG A 20 -3.306 -7.186 2.250 1.00 3.30 C ATOM 254 NE ARG A 20 -2.526 -8.269 2.861 1.00 35.53 N ATOM 255 CZ ARG A 20 -2.892 -9.553 2.832 1.00 44.50 C ATOM 256 NH1 ARG A 20 -3.982 -9.917 2.169 1.00 11.43 N ATOM 257 NH2 ARG A 20 -2.150 -10.477 3.430 1.00 0.31 N ATOM 0 H ARG A 20 0.855 -4.832 2.261 1.00 51.04 H new ATOM 0 HA ARG A 20 -1.512 -3.341 2.520 1.00 21.21 H new ATOM 0 HB2 ARG A 20 -1.337 -5.504 1.381 1.00 43.34 H new ATOM 0 HB3 ARG A 20 -0.835 -6.290 2.864 1.00 43.34 H new ATOM 0 HG2 ARG A 20 -3.065 -5.786 3.863 1.00 30.41 H new ATOM 0 HG3 ARG A 20 -3.562 -5.054 2.350 1.00 30.41 H new ATOM 0 HD2 ARG A 20 -4.366 -7.356 2.436 1.00 3.30 H new ATOM 0 HD3 ARG A 20 -3.165 -7.206 1.169 1.00 3.30 H new ATOM 0 HE ARG A 20 -1.655 -8.027 3.334 1.00 35.53 H new ATOM 0 HH11 ARG A 20 -4.540 -9.216 1.682 1.00 11.43 H new ATOM 0 HH12 ARG A 20 -4.262 -10.898 2.147 1.00 11.43 H new ATOM 0 HH21 ARG A 20 -1.294 -10.208 3.916 1.00 0.31 H new ATOM 0 HH22 ARG A 20 -2.436 -11.456 3.404 1.00 0.31 H new ATOM 271 N ALA A 21 -0.452 -4.777 5.290 1.00 42.21 N ATOM 272 CA ALA A 21 -0.625 -4.827 6.738 1.00 63.33 C ATOM 273 C ALA A 21 -0.430 -3.456 7.376 1.00 62.44 C ATOM 274 O ALA A 21 -1.142 -3.093 8.312 1.00 71.41 O ATOM 275 CB ALA A 21 0.337 -5.829 7.353 1.00 31.42 C ATOM 0 H ALA A 21 0.322 -5.343 4.943 1.00 42.21 H new ATOM 0 HA ALA A 21 -1.649 -5.146 6.935 1.00 63.33 H new ATOM 0 HB1 ALA A 21 0.195 -5.854 8.433 1.00 31.42 H new ATOM 0 HB2 ALA A 21 0.145 -6.819 6.939 1.00 31.42 H new ATOM 0 HB3 ALA A 21 1.362 -5.534 7.129 1.00 31.42 H new ATOM 281 N ALA A 22 0.531 -2.695 6.867 1.00 33.13 N ATOM 282 CA ALA A 22 0.813 -1.367 7.399 1.00 62.51 C ATOM 283 C ALA A 22 -0.378 -0.429 7.208 1.00 65.22 C ATOM 284 O ALA A 22 -0.706 0.368 8.090 1.00 2.44 O ATOM 285 CB ALA A 22 2.056 -0.786 6.740 1.00 50.21 C ATOM 0 H ALA A 22 1.127 -2.974 6.088 1.00 33.13 H new ATOM 0 HA ALA A 22 0.994 -1.465 8.469 1.00 62.51 H new ATOM 0 HB1 ALA A 22 2.254 0.206 7.147 1.00 50.21 H new ATOM 0 HB2 ALA A 22 2.909 -1.436 6.936 1.00 50.21 H new ATOM 0 HB3 ALA A 22 1.896 -0.711 5.664 1.00 50.21 H new ATOM 291 N ALA A 23 -1.044 -0.558 6.068 1.00 62.25 N ATOM 292 CA ALA A 23 -2.140 0.335 5.710 1.00 42.45 C ATOM 293 C ALA A 23 -3.436 -0.018 6.435 1.00 23.14 C ATOM 294 O ALA A 23 -4.355 0.798 6.493 1.00 44.13 O ATOM 295 CB ALA A 23 -2.354 0.319 4.209 1.00 11.21 C ATOM 0 H ALA A 23 -0.844 -1.276 5.372 1.00 62.25 H new ATOM 0 HA ALA A 23 -1.859 1.339 6.027 1.00 42.45 H new ATOM 0 HB1 ALA A 23 -3.174 0.989 3.951 1.00 11.21 H new ATOM 0 HB2 ALA A 23 -1.444 0.650 3.708 1.00 11.21 H new ATOM 0 HB3 ALA A 23 -2.597 -0.693 3.887 1.00 11.21 H new ATOM 301 N VAL A 24 -3.510 -1.229 6.985 1.00 54.43 N ATOM 302 CA VAL A 24 -4.710 -1.679 7.697 1.00 3.22 C ATOM 303 C VAL A 24 -5.056 -0.736 8.853 1.00 73.23 C ATOM 304 O VAL A 24 -6.222 -0.421 9.085 1.00 21.32 O ATOM 305 CB VAL A 24 -4.546 -3.116 8.243 1.00 41.23 C ATOM 306 CG1 VAL A 24 -5.786 -3.547 9.015 1.00 25.11 C ATOM 307 CG2 VAL A 24 -4.265 -4.094 7.112 1.00 34.13 C ATOM 0 H VAL A 24 -2.757 -1.916 6.953 1.00 54.43 H new ATOM 0 HA VAL A 24 -5.524 -1.671 6.972 1.00 3.22 H new ATOM 0 HB VAL A 24 -3.696 -3.120 8.925 1.00 41.23 H new ATOM 0 HG11 VAL A 24 -5.647 -4.561 9.389 1.00 25.11 H new ATOM 0 HG12 VAL A 24 -5.946 -2.869 9.854 1.00 25.11 H new ATOM 0 HG13 VAL A 24 -6.653 -3.519 8.355 1.00 25.11 H new ATOM 0 HG21 VAL A 24 -4.153 -5.099 7.519 1.00 34.13 H new ATOM 0 HG22 VAL A 24 -5.094 -4.080 6.404 1.00 34.13 H new ATOM 0 HG23 VAL A 24 -3.346 -3.805 6.601 1.00 34.13 H new ATOM 317 N GLN A 25 -4.034 -0.260 9.551 1.00 61.21 N ATOM 318 CA GLN A 25 -4.227 0.639 10.688 1.00 65.52 C ATOM 319 C GLN A 25 -4.711 2.013 10.233 1.00 2.54 C ATOM 320 O GLN A 25 -5.158 2.824 11.043 1.00 3.14 O ATOM 321 CB GLN A 25 -2.932 0.787 11.501 1.00 74.53 C ATOM 322 CG GLN A 25 -2.588 -0.434 12.347 1.00 30.43 C ATOM 323 CD GLN A 25 -2.147 -1.632 11.525 1.00 60.03 C ATOM 324 OE1 GLN A 25 -2.410 -2.777 11.888 1.00 12.51 O ATOM 325 NE2 GLN A 25 -1.449 -1.380 10.426 1.00 1.02 N ATOM 0 H GLN A 25 -3.058 -0.481 9.351 1.00 61.21 H new ATOM 0 HA GLN A 25 -4.993 0.195 11.324 1.00 65.52 H new ATOM 0 HB2 GLN A 25 -2.107 0.987 10.817 1.00 74.53 H new ATOM 0 HB3 GLN A 25 -3.022 1.655 12.154 1.00 74.53 H new ATOM 0 HG2 GLN A 25 -1.794 -0.170 13.046 1.00 30.43 H new ATOM 0 HG3 GLN A 25 -3.458 -0.711 12.942 1.00 30.43 H new ATOM 0 HE21 GLN A 25 -1.251 -0.416 10.157 1.00 1.02 H new ATOM 0 HE22 GLN A 25 -1.110 -2.150 9.849 1.00 1.02 H new ATOM 334 N ALA A 26 -4.621 2.269 8.934 1.00 42.13 N ATOM 335 CA ALA A 26 -5.008 3.558 8.379 1.00 73.25 C ATOM 336 C ALA A 26 -6.404 3.497 7.767 1.00 74.13 C ATOM 337 O ALA A 26 -6.817 4.410 7.049 1.00 61.22 O ATOM 338 CB ALA A 26 -3.992 4.008 7.337 1.00 22.42 C ATOM 0 H ALA A 26 -4.282 1.598 8.244 1.00 42.13 H new ATOM 0 HA ALA A 26 -5.028 4.285 9.191 1.00 73.25 H new ATOM 0 HB1 ALA A 26 -4.292 4.973 6.929 1.00 22.42 H new ATOM 0 HB2 ALA A 26 -3.010 4.100 7.802 1.00 22.42 H new ATOM 0 HB3 ALA A 26 -3.945 3.273 6.533 1.00 22.42 H new ATOM 344 N VAL A 27 -7.127 2.420 8.046 1.00 2.32 N ATOM 345 CA VAL A 27 -8.496 2.276 7.571 1.00 34.12 C ATOM 346 C VAL A 27 -9.332 1.462 8.566 1.00 41.42 C ATOM 347 O VAL A 27 -9.079 0.280 8.795 1.00 30.24 O ATOM 348 CB VAL A 27 -8.549 1.637 6.157 1.00 75.52 C ATOM 349 CG1 VAL A 27 -7.853 0.285 6.122 1.00 44.41 C ATOM 350 CG2 VAL A 27 -9.988 1.515 5.675 1.00 33.53 C ATOM 0 H VAL A 27 -6.787 1.633 8.599 1.00 2.32 H new ATOM 0 HA VAL A 27 -8.924 3.276 7.495 1.00 34.12 H new ATOM 0 HB VAL A 27 -8.011 2.299 5.479 1.00 75.52 H new ATOM 0 HG11 VAL A 27 -7.912 -0.129 5.115 1.00 44.41 H new ATOM 0 HG12 VAL A 27 -6.807 0.407 6.403 1.00 44.41 H new ATOM 0 HG13 VAL A 27 -8.340 -0.393 6.822 1.00 44.41 H new ATOM 0 HG21 VAL A 27 -10.002 1.065 4.682 1.00 33.53 H new ATOM 0 HG22 VAL A 27 -10.551 0.888 6.366 1.00 33.53 H new ATOM 0 HG23 VAL A 27 -10.442 2.505 5.631 1.00 33.53 H new ATOM 360 N PRO A 28 -10.335 2.098 9.187 1.00 2.31 N ATOM 361 CA PRO A 28 -11.173 1.447 10.195 1.00 14.21 C ATOM 362 C PRO A 28 -12.119 0.404 9.593 1.00 43.25 C ATOM 363 O PRO A 28 -13.214 0.734 9.122 1.00 53.13 O ATOM 364 CB PRO A 28 -11.957 2.605 10.814 1.00 51.24 C ATOM 365 CG PRO A 28 -11.979 3.669 9.770 1.00 21.44 C ATOM 366 CD PRO A 28 -10.724 3.500 8.956 1.00 44.35 C ATOM 0 HA PRO A 28 -10.577 0.890 10.918 1.00 14.21 H new ATOM 0 HB2 PRO A 28 -12.967 2.297 11.082 1.00 51.24 H new ATOM 0 HB3 PRO A 28 -11.479 2.960 11.727 1.00 51.24 H new ATOM 0 HG2 PRO A 28 -12.864 3.576 9.141 1.00 21.44 H new ATOM 0 HG3 PRO A 28 -12.015 4.658 10.226 1.00 21.44 H new ATOM 0 HD2 PRO A 28 -10.905 3.695 7.899 1.00 44.35 H new ATOM 0 HD3 PRO A 28 -9.943 4.189 9.278 1.00 44.35 H new ATOM 374 N GLY A 29 -11.668 -0.847 9.585 1.00 24.54 N ATOM 375 CA GLY A 29 -12.480 -1.943 9.086 1.00 54.05 C ATOM 376 C GLY A 29 -12.764 -1.829 7.604 1.00 3.33 C ATOM 377 O GLY A 29 -13.892 -2.043 7.164 1.00 14.13 O ATOM 0 H GLY A 29 -10.745 -1.123 9.919 1.00 24.54 H new ATOM 0 HA2 GLY A 29 -11.971 -2.886 9.283 1.00 54.05 H new ATOM 0 HA3 GLY A 29 -13.423 -1.969 9.632 1.00 54.05 H new ATOM 381 N GLY A 30 -11.741 -1.489 6.834 1.00 13.11 N ATOM 382 CA GLY A 30 -11.919 -1.312 5.409 1.00 32.31 C ATOM 383 C GLY A 30 -11.236 -2.394 4.597 1.00 12.34 C ATOM 384 O GLY A 30 -10.715 -3.364 5.152 1.00 33.51 O ATOM 0 H GLY A 30 -10.791 -1.333 7.171 1.00 13.11 H new ATOM 0 HA2 GLY A 30 -12.984 -1.307 5.178 1.00 32.31 H new ATOM 0 HA3 GLY A 30 -11.525 -0.339 5.115 1.00 32.31 H new ATOM 388 N THR A 31 -11.234 -2.217 3.287 1.00 0.14 N ATOM 389 CA THR A 31 -10.648 -3.186 2.378 1.00 42.42 C ATOM 390 C THR A 31 -9.187 -2.855 2.085 1.00 74.35 C ATOM 391 O THR A 31 -8.880 -1.820 1.486 1.00 61.34 O ATOM 392 CB THR A 31 -11.435 -3.235 1.055 1.00 30.41 C ATOM 393 OG1 THR A 31 -12.822 -3.472 1.327 1.00 1.23 O ATOM 394 CG2 THR A 31 -10.897 -4.323 0.137 1.00 61.31 C ATOM 0 H THR A 31 -11.637 -1.401 2.825 1.00 0.14 H new ATOM 0 HA THR A 31 -10.697 -4.160 2.864 1.00 42.42 H new ATOM 0 HB THR A 31 -11.318 -2.276 0.551 1.00 30.41 H new ATOM 0 HG1 THR A 31 -13.320 -3.501 0.484 1.00 1.23 H new ATOM 0 HG21 THR A 31 -11.471 -4.334 -0.789 1.00 61.31 H new ATOM 0 HG22 THR A 31 -9.849 -4.124 -0.088 1.00 61.31 H new ATOM 0 HG23 THR A 31 -10.984 -5.291 0.630 1.00 61.31 H new ATOM 402 N ALA A 32 -8.297 -3.733 2.524 1.00 24.00 N ATOM 403 CA ALA A 32 -6.874 -3.592 2.249 1.00 44.22 C ATOM 404 C ALA A 32 -6.413 -4.698 1.306 1.00 15.20 C ATOM 405 O ALA A 32 -6.525 -5.882 1.623 1.00 33.42 O ATOM 406 CB ALA A 32 -6.076 -3.623 3.545 1.00 13.23 C ATOM 0 H ALA A 32 -8.537 -4.556 3.076 1.00 24.00 H new ATOM 0 HA ALA A 32 -6.702 -2.630 1.767 1.00 44.22 H new ATOM 0 HB1 ALA A 32 -5.015 -3.516 3.321 1.00 13.23 H new ATOM 0 HB2 ALA A 32 -6.395 -2.803 4.189 1.00 13.23 H new ATOM 0 HB3 ALA A 32 -6.246 -4.572 4.054 1.00 13.23 H new ATOM 412 N GLY A 33 -5.902 -4.308 0.148 1.00 24.03 N ATOM 413 CA GLY A 33 -5.542 -5.281 -0.863 1.00 73.43 C ATOM 414 C GLY A 33 -4.047 -5.369 -1.085 1.00 35.25 C ATOM 415 O GLY A 33 -3.304 -4.461 -0.706 1.00 3.32 O ATOM 0 H GLY A 33 -5.730 -3.336 -0.110 1.00 24.03 H new ATOM 0 HA2 GLY A 33 -5.920 -6.260 -0.569 1.00 73.43 H new ATOM 0 HA3 GLY A 33 -6.030 -5.020 -1.802 1.00 73.43 H new ATOM 419 N GLU A 34 -3.610 -6.471 -1.682 1.00 2.30 N ATOM 420 CA GLU A 34 -2.203 -6.677 -1.992 1.00 2.45 C ATOM 421 C GLU A 34 -1.753 -5.688 -3.060 1.00 31.02 C ATOM 422 O GLU A 34 -2.465 -5.448 -4.037 1.00 24.53 O ATOM 423 CB GLU A 34 -1.942 -8.113 -2.464 1.00 3.25 C ATOM 424 CG GLU A 34 -2.217 -9.183 -1.412 1.00 40.42 C ATOM 425 CD GLU A 34 -3.691 -9.497 -1.252 1.00 20.20 C ATOM 426 OE1 GLU A 34 -4.364 -8.849 -0.423 1.00 71.31 O ATOM 427 OE2 GLU A 34 -4.186 -10.405 -1.953 1.00 13.13 O ATOM 0 H GLU A 34 -4.217 -7.241 -1.963 1.00 2.30 H new ATOM 0 HA GLU A 34 -1.629 -6.510 -1.081 1.00 2.45 H new ATOM 0 HB2 GLU A 34 -2.561 -8.313 -3.338 1.00 3.25 H new ATOM 0 HB3 GLU A 34 -0.903 -8.194 -2.784 1.00 3.25 H new ATOM 0 HG2 GLU A 34 -1.685 -10.095 -1.683 1.00 40.42 H new ATOM 0 HG3 GLU A 34 -1.816 -8.853 -0.454 1.00 40.42 H new ATOM 434 N VAL A 35 -0.574 -5.119 -2.871 1.00 75.13 N ATOM 435 CA VAL A 35 -0.078 -4.070 -3.749 1.00 52.41 C ATOM 436 C VAL A 35 1.373 -4.319 -4.143 1.00 30.20 C ATOM 437 O VAL A 35 2.108 -4.995 -3.429 1.00 23.23 O ATOM 438 CB VAL A 35 -0.191 -2.687 -3.078 1.00 62.50 C ATOM 439 CG1 VAL A 35 -1.651 -2.314 -2.864 1.00 0.31 C ATOM 440 CG2 VAL A 35 0.565 -2.666 -1.755 1.00 1.03 C ATOM 0 H VAL A 35 0.061 -5.367 -2.113 1.00 75.13 H new ATOM 0 HA VAL A 35 -0.697 -4.085 -4.646 1.00 52.41 H new ATOM 0 HB VAL A 35 0.260 -1.949 -3.741 1.00 62.50 H new ATOM 0 HG11 VAL A 35 -1.711 -1.335 -2.389 1.00 0.31 H new ATOM 0 HG12 VAL A 35 -2.163 -2.283 -3.826 1.00 0.31 H new ATOM 0 HG13 VAL A 35 -2.126 -3.057 -2.224 1.00 0.31 H new ATOM 0 HG21 VAL A 35 0.472 -1.681 -1.298 1.00 1.03 H new ATOM 0 HG22 VAL A 35 0.147 -3.417 -1.085 1.00 1.03 H new ATOM 0 HG23 VAL A 35 1.618 -2.885 -1.934 1.00 1.03 H new ATOM 450 N GLU A 36 1.769 -3.786 -5.288 1.00 70.03 N ATOM 451 CA GLU A 36 3.132 -3.927 -5.775 1.00 21.11 C ATOM 452 C GLU A 36 3.881 -2.608 -5.626 1.00 35.54 C ATOM 453 O GLU A 36 3.265 -1.549 -5.484 1.00 34.13 O ATOM 454 CB GLU A 36 3.153 -4.396 -7.231 1.00 41.31 C ATOM 455 CG GLU A 36 2.549 -3.409 -8.217 1.00 30.32 C ATOM 456 CD GLU A 36 2.746 -3.847 -9.653 1.00 55.21 C ATOM 457 OE1 GLU A 36 3.910 -3.896 -10.103 1.00 41.41 O ATOM 458 OE2 GLU A 36 1.746 -4.167 -10.330 1.00 51.02 O ATOM 0 H GLU A 36 1.159 -3.247 -5.903 1.00 70.03 H new ATOM 0 HA GLU A 36 3.632 -4.686 -5.174 1.00 21.11 H new ATOM 0 HB2 GLU A 36 4.185 -4.595 -7.521 1.00 41.31 H new ATOM 0 HB3 GLU A 36 2.613 -5.340 -7.304 1.00 41.31 H new ATOM 0 HG2 GLU A 36 1.484 -3.301 -8.014 1.00 30.32 H new ATOM 0 HG3 GLU A 36 3.002 -2.429 -8.072 1.00 30.32 H new ATOM 465 N THR A 37 5.203 -2.677 -5.648 1.00 72.43 N ATOM 466 CA THR A 37 6.038 -1.507 -5.438 1.00 22.34 C ATOM 467 C THR A 37 5.984 -0.555 -6.632 1.00 14.21 C ATOM 468 O THR A 37 5.803 -0.980 -7.779 1.00 11.12 O ATOM 469 CB THR A 37 7.502 -1.919 -5.183 1.00 32.32 C ATOM 470 OG1 THR A 37 7.918 -2.908 -6.138 1.00 71.54 O ATOM 471 CG2 THR A 37 7.673 -2.463 -3.779 1.00 52.43 C ATOM 0 H THR A 37 5.723 -3.539 -5.811 1.00 72.43 H new ATOM 0 HA THR A 37 5.647 -0.989 -4.562 1.00 22.34 H new ATOM 0 HB THR A 37 8.124 -1.031 -5.293 1.00 32.32 H new ATOM 0 HG1 THR A 37 8.849 -3.158 -5.965 1.00 71.54 H new ATOM 0 HG21 THR A 37 8.714 -2.747 -3.623 1.00 52.43 H new ATOM 0 HG22 THR A 37 7.393 -1.697 -3.056 1.00 52.43 H new ATOM 0 HG23 THR A 37 7.035 -3.337 -3.647 1.00 52.43 H new ATOM 479 N GLU A 38 6.130 0.732 -6.347 1.00 3.51 N ATOM 480 CA GLU A 38 6.101 1.760 -7.373 1.00 41.22 C ATOM 481 C GLU A 38 7.444 1.829 -8.086 1.00 14.44 C ATOM 482 O GLU A 38 8.391 2.443 -7.595 1.00 64.22 O ATOM 483 CB GLU A 38 5.764 3.121 -6.757 1.00 44.52 C ATOM 484 CG GLU A 38 4.401 3.169 -6.086 1.00 42.45 C ATOM 485 CD GLU A 38 4.083 4.535 -5.519 1.00 41.22 C ATOM 486 OE1 GLU A 38 3.739 5.439 -6.308 1.00 0.41 O ATOM 487 OE2 GLU A 38 4.172 4.710 -4.285 1.00 1.34 O ATOM 0 H GLU A 38 6.271 1.089 -5.402 1.00 3.51 H new ATOM 0 HA GLU A 38 5.328 1.504 -8.098 1.00 41.22 H new ATOM 0 HB2 GLU A 38 6.529 3.377 -6.024 1.00 44.52 H new ATOM 0 HB3 GLU A 38 5.802 3.882 -7.537 1.00 44.52 H new ATOM 0 HG2 GLU A 38 3.634 2.891 -6.809 1.00 42.45 H new ATOM 0 HG3 GLU A 38 4.367 2.430 -5.286 1.00 42.45 H new ATOM 494 N THR A 39 7.528 1.169 -9.227 1.00 51.13 N ATOM 495 CA THR A 39 8.750 1.151 -10.007 1.00 1.13 C ATOM 496 C THR A 39 8.773 2.315 -10.992 1.00 74.04 C ATOM 497 O THR A 39 7.919 2.410 -11.874 1.00 1.34 O ATOM 498 CB THR A 39 8.884 -0.179 -10.768 1.00 51.11 C ATOM 499 OG1 THR A 39 8.724 -1.273 -9.855 1.00 33.10 O ATOM 500 CG2 THR A 39 10.235 -0.287 -11.457 1.00 74.44 C ATOM 0 H THR A 39 6.760 0.636 -9.635 1.00 51.13 H new ATOM 0 HA THR A 39 9.592 1.252 -9.322 1.00 1.13 H new ATOM 0 HB THR A 39 8.107 -0.214 -11.532 1.00 51.11 H new ATOM 0 HG1 THR A 39 8.808 -2.120 -10.341 1.00 33.10 H new ATOM 0 HG21 THR A 39 10.299 -1.238 -11.986 1.00 74.44 H new ATOM 0 HG22 THR A 39 10.348 0.532 -12.168 1.00 74.44 H new ATOM 0 HG23 THR A 39 11.029 -0.232 -10.712 1.00 74.44 H new ATOM 508 N GLY A 40 9.743 3.202 -10.833 1.00 34.35 N ATOM 509 CA GLY A 40 9.855 4.342 -11.715 1.00 4.21 C ATOM 510 C GLY A 40 10.553 5.511 -11.053 1.00 72.21 C ATOM 511 O GLY A 40 11.530 5.325 -10.323 1.00 61.55 O ATOM 0 H GLY A 40 10.457 3.151 -10.106 1.00 34.35 H new ATOM 0 HA2 GLY A 40 10.404 4.053 -12.611 1.00 4.21 H new ATOM 0 HA3 GLY A 40 8.860 4.650 -12.036 1.00 4.21 H new ATOM 515 N GLU A 41 10.046 6.713 -11.294 1.00 63.35 N ATOM 516 CA GLU A 41 10.645 7.925 -10.752 1.00 30.23 C ATOM 517 C GLU A 41 9.950 8.339 -9.463 1.00 61.24 C ATOM 518 O GLU A 41 8.990 7.701 -9.027 1.00 40.12 O ATOM 519 CB GLU A 41 10.573 9.077 -11.764 1.00 43.25 C ATOM 520 CG GLU A 41 11.480 8.914 -12.977 1.00 11.41 C ATOM 521 CD GLU A 41 11.074 7.766 -13.878 1.00 15.41 C ATOM 522 OE1 GLU A 41 9.957 7.807 -14.437 1.00 61.51 O ATOM 523 OE2 GLU A 41 11.875 6.827 -14.048 1.00 43.31 O ATOM 0 H GLU A 41 9.216 6.875 -11.865 1.00 63.35 H new ATOM 0 HA GLU A 41 11.692 7.707 -10.541 1.00 30.23 H new ATOM 0 HB2 GLU A 41 9.543 9.177 -12.108 1.00 43.25 H new ATOM 0 HB3 GLU A 41 10.831 10.006 -11.256 1.00 43.25 H new ATOM 0 HG2 GLU A 41 11.474 9.839 -13.554 1.00 11.41 H new ATOM 0 HG3 GLU A 41 12.504 8.756 -12.638 1.00 11.41 H new ATOM 530 N GLY A 42 10.439 9.410 -8.858 1.00 21.24 N ATOM 531 CA GLY A 42 9.838 9.922 -7.647 1.00 30.14 C ATOM 532 C GLY A 42 10.615 9.530 -6.408 1.00 72.34 C ATOM 533 O GLY A 42 11.746 9.055 -6.503 1.00 45.23 O ATOM 0 H GLY A 42 11.248 9.937 -9.188 1.00 21.24 H new ATOM 0 HA2 GLY A 42 9.777 11.009 -7.706 1.00 30.14 H new ATOM 0 HA3 GLY A 42 8.817 9.549 -7.565 1.00 30.14 H new ATOM 537 N ALA A 43 10.018 9.743 -5.245 1.00 61.33 N ATOM 538 CA ALA A 43 10.647 9.374 -3.986 1.00 73.23 C ATOM 539 C ALA A 43 9.832 8.300 -3.277 1.00 53.34 C ATOM 540 O ALA A 43 10.105 7.954 -2.129 1.00 72.35 O ATOM 541 CB ALA A 43 10.815 10.601 -3.098 1.00 72.13 C ATOM 0 H ALA A 43 9.097 10.170 -5.147 1.00 61.33 H new ATOM 0 HA ALA A 43 11.636 8.966 -4.197 1.00 73.23 H new ATOM 0 HB1 ALA A 43 11.287 10.309 -2.160 1.00 72.13 H new ATOM 0 HB2 ALA A 43 11.441 11.335 -3.606 1.00 72.13 H new ATOM 0 HB3 ALA A 43 9.838 11.038 -2.892 1.00 72.13 H new ATOM 547 N ALA A 44 8.832 7.775 -3.976 1.00 41.02 N ATOM 548 CA ALA A 44 7.968 6.745 -3.421 1.00 34.53 C ATOM 549 C ALA A 44 8.523 5.359 -3.721 1.00 32.42 C ATOM 550 O ALA A 44 9.468 5.216 -4.499 1.00 32.04 O ATOM 551 CB ALA A 44 6.560 6.889 -3.976 1.00 42.15 C ATOM 0 H ALA A 44 8.601 8.048 -4.931 1.00 41.02 H new ATOM 0 HA ALA A 44 7.931 6.868 -2.339 1.00 34.53 H new ATOM 0 HB1 ALA A 44 5.921 6.113 -3.554 1.00 42.15 H new ATOM 0 HB2 ALA A 44 6.163 7.869 -3.711 1.00 42.15 H new ATOM 0 HB3 ALA A 44 6.585 6.788 -5.061 1.00 42.15 H new ATOM 557 N ALA A 45 7.938 4.341 -3.103 1.00 4.34 N ATOM 558 CA ALA A 45 8.399 2.975 -3.296 1.00 11.13 C ATOM 559 C ALA A 45 7.256 1.976 -3.169 1.00 41.44 C ATOM 560 O ALA A 45 7.216 0.981 -3.884 1.00 70.24 O ATOM 561 CB ALA A 45 9.497 2.639 -2.303 1.00 74.34 C ATOM 0 H ALA A 45 7.147 4.436 -2.467 1.00 4.34 H new ATOM 0 HA ALA A 45 8.799 2.903 -4.307 1.00 11.13 H new ATOM 0 HB1 ALA A 45 9.830 1.613 -2.462 1.00 74.34 H new ATOM 0 HB2 ALA A 45 10.337 3.319 -2.445 1.00 74.34 H new ATOM 0 HB3 ALA A 45 9.114 2.743 -1.288 1.00 74.34 H new ATOM 567 N TYR A 46 6.329 2.234 -2.257 1.00 62.42 N ATOM 568 CA TYR A 46 5.201 1.334 -2.054 1.00 51.41 C ATOM 569 C TYR A 46 3.894 2.099 -2.198 1.00 10.02 C ATOM 570 O TYR A 46 3.728 3.156 -1.604 1.00 21.45 O ATOM 571 CB TYR A 46 5.264 0.690 -0.658 1.00 5.42 C ATOM 572 CG TYR A 46 6.471 -0.196 -0.423 1.00 25.13 C ATOM 573 CD1 TYR A 46 7.707 0.350 -0.094 1.00 1.43 C ATOM 574 CD2 TYR A 46 6.371 -1.578 -0.523 1.00 22.13 C ATOM 575 CE1 TYR A 46 8.808 -0.456 0.124 1.00 53.22 C ATOM 576 CE2 TYR A 46 7.469 -2.391 -0.306 1.00 24.23 C ATOM 577 CZ TYR A 46 8.685 -1.824 0.017 1.00 62.11 C ATOM 578 OH TYR A 46 9.784 -2.630 0.227 1.00 72.25 O ATOM 0 H TYR A 46 6.334 3.053 -1.649 1.00 62.42 H new ATOM 0 HA TYR A 46 5.250 0.548 -2.808 1.00 51.41 H new ATOM 0 HB2 TYR A 46 5.259 1.481 0.092 1.00 5.42 H new ATOM 0 HB3 TYR A 46 4.361 0.099 -0.504 1.00 5.42 H new ATOM 0 HD1 TYR A 46 7.808 1.422 -0.007 1.00 1.43 H new ATOM 0 HD2 TYR A 46 5.420 -2.025 -0.774 1.00 22.13 H new ATOM 0 HE1 TYR A 46 9.761 -0.015 0.377 1.00 53.22 H new ATOM 0 HE2 TYR A 46 7.375 -3.464 -0.389 1.00 24.23 H new ATOM 0 HH TYR A 46 9.527 -3.569 0.115 1.00 72.25 H new ATOM 588 N GLY A 47 2.965 1.566 -2.970 1.00 63.34 N ATOM 589 CA GLY A 47 1.668 2.196 -3.089 1.00 64.42 C ATOM 590 C GLY A 47 0.570 1.255 -2.663 1.00 32.34 C ATOM 591 O GLY A 47 0.314 0.262 -3.335 1.00 63.12 O ATOM 0 H GLY A 47 3.083 0.712 -3.515 1.00 63.34 H new ATOM 0 HA2 GLY A 47 1.639 3.096 -2.475 1.00 64.42 H new ATOM 0 HA3 GLY A 47 1.505 2.508 -4.120 1.00 64.42 H new ATOM 595 N VAL A 48 -0.085 1.568 -1.554 1.00 24.14 N ATOM 596 CA VAL A 48 -1.075 0.664 -0.982 1.00 61.44 C ATOM 597 C VAL A 48 -2.484 1.214 -1.156 1.00 5.15 C ATOM 598 O VAL A 48 -2.770 2.345 -0.766 1.00 74.24 O ATOM 599 CB VAL A 48 -0.817 0.406 0.520 1.00 31.04 C ATOM 600 CG1 VAL A 48 -1.675 -0.747 1.020 1.00 64.43 C ATOM 601 CG2 VAL A 48 0.657 0.133 0.779 1.00 0.12 C ATOM 0 H VAL A 48 0.049 2.435 -1.034 1.00 24.14 H new ATOM 0 HA VAL A 48 -0.983 -0.279 -1.520 1.00 61.44 H new ATOM 0 HB VAL A 48 -1.095 1.304 1.071 1.00 31.04 H new ATOM 0 HG11 VAL A 48 -1.479 -0.913 2.079 1.00 64.43 H new ATOM 0 HG12 VAL A 48 -2.728 -0.504 0.879 1.00 64.43 H new ATOM 0 HG13 VAL A 48 -1.433 -1.650 0.460 1.00 64.43 H new ATOM 0 HG21 VAL A 48 0.813 -0.045 1.843 1.00 0.12 H new ATOM 0 HG22 VAL A 48 0.969 -0.746 0.214 1.00 0.12 H new ATOM 0 HG23 VAL A 48 1.247 0.994 0.465 1.00 0.12 H new ATOM 611 N LEU A 49 -3.358 0.409 -1.739 1.00 2.44 N ATOM 612 CA LEU A 49 -4.743 0.800 -1.932 1.00 2.15 C ATOM 613 C LEU A 49 -5.562 0.446 -0.695 1.00 64.44 C ATOM 614 O LEU A 49 -5.473 -0.668 -0.174 1.00 61.42 O ATOM 615 CB LEU A 49 -5.317 0.124 -3.191 1.00 32.03 C ATOM 616 CG LEU A 49 -5.359 -1.413 -3.173 1.00 64.01 C ATOM 617 CD1 LEU A 49 -6.727 -1.915 -2.726 1.00 61.14 C ATOM 618 CD2 LEU A 49 -5.005 -1.974 -4.543 1.00 75.15 C ATOM 0 H LEU A 49 -3.130 -0.522 -2.087 1.00 2.44 H new ATOM 0 HA LEU A 49 -4.794 1.879 -2.077 1.00 2.15 H new ATOM 0 HB2 LEU A 49 -6.331 0.493 -3.347 1.00 32.03 H new ATOM 0 HB3 LEU A 49 -4.726 0.441 -4.050 1.00 32.03 H new ATOM 0 HG LEU A 49 -4.618 -1.763 -2.454 1.00 64.01 H new ATOM 0 HD11 LEU A 49 -6.731 -3.005 -2.722 1.00 61.14 H new ATOM 0 HD12 LEU A 49 -6.939 -1.547 -1.722 1.00 61.14 H new ATOM 0 HD13 LEU A 49 -7.490 -1.552 -3.414 1.00 61.14 H new ATOM 0 HD21 LEU A 49 -5.040 -3.063 -4.510 1.00 75.15 H new ATOM 0 HD22 LEU A 49 -5.720 -1.610 -5.281 1.00 75.15 H new ATOM 0 HD23 LEU A 49 -4.001 -1.651 -4.820 1.00 75.15 H new ATOM 630 N VAL A 50 -6.331 1.408 -0.209 1.00 0.15 N ATOM 631 CA VAL A 50 -7.198 1.192 0.937 1.00 22.54 C ATOM 632 C VAL A 50 -8.602 1.700 0.646 1.00 0.51 C ATOM 633 O VAL A 50 -8.831 2.897 0.460 1.00 43.24 O ATOM 634 CB VAL A 50 -6.650 1.851 2.226 1.00 42.24 C ATOM 635 CG1 VAL A 50 -5.564 0.985 2.843 1.00 35.25 C ATOM 636 CG2 VAL A 50 -6.107 3.245 1.947 1.00 73.34 C ATOM 0 H VAL A 50 -6.372 2.352 -0.594 1.00 0.15 H new ATOM 0 HA VAL A 50 -7.231 0.117 1.111 1.00 22.54 H new ATOM 0 HB VAL A 50 -7.477 1.943 2.930 1.00 42.24 H new ATOM 0 HG11 VAL A 50 -5.189 1.462 3.748 1.00 35.25 H new ATOM 0 HG12 VAL A 50 -5.976 0.007 3.092 1.00 35.25 H new ATOM 0 HG13 VAL A 50 -4.747 0.864 2.132 1.00 35.25 H new ATOM 0 HG21 VAL A 50 -5.730 3.680 2.872 1.00 73.34 H new ATOM 0 HG22 VAL A 50 -5.298 3.181 1.220 1.00 73.34 H new ATOM 0 HG23 VAL A 50 -6.904 3.873 1.549 1.00 73.34 H new ATOM 646 N THR A 51 -9.538 0.775 0.593 1.00 41.12 N ATOM 647 CA THR A 51 -10.906 1.101 0.248 1.00 41.04 C ATOM 648 C THR A 51 -11.757 1.251 1.500 1.00 54.25 C ATOM 649 O THR A 51 -11.832 0.340 2.324 1.00 23.22 O ATOM 650 CB THR A 51 -11.512 0.004 -0.646 1.00 71.13 C ATOM 651 OG1 THR A 51 -10.597 -0.322 -1.699 1.00 33.10 O ATOM 652 CG2 THR A 51 -12.834 0.458 -1.248 1.00 21.20 C ATOM 0 H THR A 51 -9.375 -0.213 0.786 1.00 41.12 H new ATOM 0 HA THR A 51 -10.897 2.047 -0.294 1.00 41.04 H new ATOM 0 HB THR A 51 -11.696 -0.875 -0.029 1.00 71.13 H new ATOM 0 HG1 THR A 51 -10.985 -1.022 -2.265 1.00 33.10 H new ATOM 0 HG21 THR A 51 -13.240 -0.336 -1.875 1.00 21.20 H new ATOM 0 HG22 THR A 51 -13.539 0.685 -0.448 1.00 21.20 H new ATOM 0 HG23 THR A 51 -12.671 1.350 -1.853 1.00 21.20 H new ATOM 660 N ARG A 52 -12.376 2.411 1.653 1.00 43.43 N ATOM 661 CA ARG A 52 -13.347 2.610 2.712 1.00 54.42 C ATOM 662 C ARG A 52 -14.630 1.882 2.340 1.00 25.02 C ATOM 663 O ARG A 52 -15.037 1.902 1.178 1.00 64.13 O ATOM 664 CB ARG A 52 -13.635 4.099 2.933 1.00 62.23 C ATOM 665 CG ARG A 52 -12.732 4.780 3.951 1.00 33.45 C ATOM 666 CD ARG A 52 -11.279 4.828 3.508 1.00 11.10 C ATOM 667 NE ARG A 52 -10.474 5.617 4.436 1.00 13.35 N ATOM 668 CZ ARG A 52 -9.226 5.325 4.795 1.00 74.35 C ATOM 669 NH1 ARG A 52 -8.597 4.286 4.261 1.00 40.34 N ATOM 670 NH2 ARG A 52 -8.604 6.088 5.681 1.00 23.31 N ATOM 0 H ARG A 52 -12.223 3.225 1.058 1.00 43.43 H new ATOM 0 HA ARG A 52 -12.942 2.211 3.642 1.00 54.42 H new ATOM 0 HB2 ARG A 52 -13.540 4.618 1.979 1.00 62.23 H new ATOM 0 HB3 ARG A 52 -14.670 4.210 3.255 1.00 62.23 H new ATOM 0 HG2 ARG A 52 -13.088 5.795 4.124 1.00 33.45 H new ATOM 0 HG3 ARG A 52 -12.800 4.251 4.902 1.00 33.45 H new ATOM 0 HD2 ARG A 52 -10.881 3.815 3.446 1.00 11.10 H new ATOM 0 HD3 ARG A 52 -11.214 5.258 2.509 1.00 11.10 H new ATOM 0 HE ARG A 52 -10.899 6.453 4.838 1.00 13.35 H new ATOM 0 HH11 ARG A 52 -9.070 3.704 3.570 1.00 40.34 H new ATOM 0 HH12 ARG A 52 -7.641 4.069 4.542 1.00 40.34 H new ATOM 0 HH21 ARG A 52 -9.081 6.894 6.084 1.00 23.31 H new ATOM 0 HH22 ARG A 52 -7.648 5.869 5.960 1.00 23.31 H new ATOM 684 N PRO A 53 -15.290 1.240 3.315 1.00 21.25 N ATOM 685 CA PRO A 53 -16.512 0.458 3.079 1.00 4.24 C ATOM 686 C PRO A 53 -17.713 1.327 2.703 1.00 34.14 C ATOM 687 O PRO A 53 -18.862 0.897 2.798 1.00 34.51 O ATOM 688 CB PRO A 53 -16.765 -0.243 4.422 1.00 24.35 C ATOM 689 CG PRO A 53 -15.506 -0.078 5.205 1.00 33.22 C ATOM 690 CD PRO A 53 -14.894 1.204 4.728 1.00 13.21 C ATOM 0 HA PRO A 53 -16.386 -0.226 2.240 1.00 4.24 H new ATOM 0 HB2 PRO A 53 -17.612 0.203 4.943 1.00 24.35 H new ATOM 0 HB3 PRO A 53 -17.000 -1.297 4.276 1.00 24.35 H new ATOM 0 HG2 PRO A 53 -15.713 -0.038 6.274 1.00 33.22 H new ATOM 0 HG3 PRO A 53 -14.831 -0.918 5.042 1.00 33.22 H new ATOM 0 HD2 PRO A 53 -15.275 2.065 5.278 1.00 13.21 H new ATOM 0 HD3 PRO A 53 -13.810 1.205 4.846 1.00 13.21 H new ATOM 698 N ASP A 54 -17.447 2.554 2.284 1.00 65.13 N ATOM 699 CA ASP A 54 -18.501 3.452 1.855 1.00 52.12 C ATOM 700 C ASP A 54 -18.439 3.659 0.344 1.00 45.32 C ATOM 701 O ASP A 54 -19.393 4.129 -0.273 1.00 44.43 O ATOM 702 CB ASP A 54 -18.388 4.790 2.580 1.00 42.53 C ATOM 703 CG ASP A 54 -19.703 5.537 2.588 1.00 14.12 C ATOM 704 OD1 ASP A 54 -20.683 4.995 3.144 1.00 51.12 O ATOM 705 OD2 ASP A 54 -19.768 6.659 2.044 1.00 73.43 O ATOM 0 H ASP A 54 -16.508 2.949 2.233 1.00 65.13 H new ATOM 0 HA ASP A 54 -19.462 3.003 2.105 1.00 52.12 H new ATOM 0 HB2 ASP A 54 -18.060 4.621 3.606 1.00 42.53 H new ATOM 0 HB3 ASP A 54 -17.625 5.402 2.098 1.00 42.53 H new ATOM 710 N GLY A 55 -17.309 3.287 -0.249 1.00 3.34 N ATOM 711 CA GLY A 55 -17.138 3.448 -1.681 1.00 45.43 C ATOM 712 C GLY A 55 -15.936 4.303 -2.027 1.00 25.31 C ATOM 713 O GLY A 55 -15.441 4.264 -3.153 1.00 14.41 O ATOM 0 H GLY A 55 -16.510 2.878 0.236 1.00 3.34 H new ATOM 0 HA2 GLY A 55 -17.028 2.467 -2.143 1.00 45.43 H new ATOM 0 HA3 GLY A 55 -18.036 3.900 -2.103 1.00 45.43 H new ATOM 717 N THR A 56 -15.474 5.081 -1.059 1.00 4.32 N ATOM 718 CA THR A 56 -14.314 5.935 -1.249 1.00 42.01 C ATOM 719 C THR A 56 -13.018 5.133 -1.145 1.00 64.50 C ATOM 720 O THR A 56 -12.688 4.578 -0.094 1.00 53.12 O ATOM 721 CB THR A 56 -14.319 7.095 -0.235 1.00 33.43 C ATOM 722 OG1 THR A 56 -14.961 6.682 0.982 1.00 15.41 O ATOM 723 CG2 THR A 56 -15.038 8.306 -0.811 1.00 52.30 C ATOM 0 H THR A 56 -15.889 5.137 -0.129 1.00 4.32 H new ATOM 0 HA THR A 56 -14.369 6.356 -2.253 1.00 42.01 H new ATOM 0 HB THR A 56 -13.286 7.371 -0.021 1.00 33.43 H new ATOM 0 HG1 THR A 56 -15.928 6.817 0.904 1.00 15.41 H new ATOM 0 HG21 THR A 56 -15.031 9.115 -0.080 1.00 52.30 H new ATOM 0 HG22 THR A 56 -14.531 8.633 -1.719 1.00 52.30 H new ATOM 0 HG23 THR A 56 -16.068 8.039 -1.047 1.00 52.30 H new ATOM 731 N ARG A 57 -12.298 5.066 -2.250 1.00 40.24 N ATOM 732 CA ARG A 57 -11.077 4.285 -2.332 1.00 62.12 C ATOM 733 C ARG A 57 -9.879 5.193 -2.572 1.00 42.35 C ATOM 734 O ARG A 57 -9.825 5.918 -3.563 1.00 34.43 O ATOM 735 CB ARG A 57 -11.212 3.253 -3.454 1.00 63.43 C ATOM 736 CG ARG A 57 -9.955 2.446 -3.733 1.00 43.42 C ATOM 737 CD ARG A 57 -10.219 1.385 -4.793 1.00 55.25 C ATOM 738 NE ARG A 57 -10.864 1.951 -5.979 1.00 54.13 N ATOM 739 CZ ARG A 57 -11.899 1.388 -6.604 1.00 60.42 C ATOM 740 NH1 ARG A 57 -12.379 0.223 -6.189 1.00 52.31 N ATOM 741 NH2 ARG A 57 -12.461 1.989 -7.645 1.00 40.24 N ATOM 0 H ARG A 57 -12.542 5.550 -3.114 1.00 40.24 H new ATOM 0 HA ARG A 57 -10.916 3.764 -1.388 1.00 62.12 H new ATOM 0 HB2 ARG A 57 -12.019 2.566 -3.201 1.00 63.43 H new ATOM 0 HB3 ARG A 57 -11.507 3.768 -4.368 1.00 63.43 H new ATOM 0 HG2 ARG A 57 -9.158 3.110 -4.067 1.00 43.42 H new ATOM 0 HG3 ARG A 57 -9.611 1.971 -2.814 1.00 43.42 H new ATOM 0 HD2 ARG A 57 -9.278 0.916 -5.080 1.00 55.25 H new ATOM 0 HD3 ARG A 57 -10.851 0.602 -4.374 1.00 55.25 H new ATOM 0 HE ARG A 57 -10.500 2.829 -6.350 1.00 54.13 H new ATOM 0 HH11 ARG A 57 -11.956 -0.247 -5.388 1.00 52.31 H new ATOM 0 HH12 ARG A 57 -13.171 -0.203 -6.671 1.00 52.31 H new ATOM 0 HH21 ARG A 57 -12.102 2.886 -7.971 1.00 40.24 H new ATOM 0 HH22 ARG A 57 -13.252 1.554 -8.119 1.00 40.24 H new ATOM 755 N VAL A 58 -8.924 5.160 -1.657 1.00 21.20 N ATOM 756 CA VAL A 58 -7.731 5.980 -1.774 1.00 60.33 C ATOM 757 C VAL A 58 -6.485 5.108 -1.733 1.00 42.02 C ATOM 758 O VAL A 58 -6.547 3.946 -1.327 1.00 10.14 O ATOM 759 CB VAL A 58 -7.651 7.042 -0.655 1.00 73.41 C ATOM 760 CG1 VAL A 58 -8.779 8.053 -0.787 1.00 14.11 C ATOM 761 CG2 VAL A 58 -7.682 6.388 0.719 1.00 34.14 C ATOM 0 H VAL A 58 -8.953 4.573 -0.824 1.00 21.20 H new ATOM 0 HA VAL A 58 -7.788 6.498 -2.731 1.00 60.33 H new ATOM 0 HB VAL A 58 -6.703 7.569 -0.762 1.00 73.41 H new ATOM 0 HG11 VAL A 58 -8.702 8.791 0.012 1.00 14.11 H new ATOM 0 HG12 VAL A 58 -8.707 8.554 -1.752 1.00 14.11 H new ATOM 0 HG13 VAL A 58 -9.738 7.540 -0.715 1.00 14.11 H new ATOM 0 HG21 VAL A 58 -7.624 7.157 1.489 1.00 34.14 H new ATOM 0 HG22 VAL A 58 -8.610 5.828 0.834 1.00 34.14 H new ATOM 0 HG23 VAL A 58 -6.834 5.710 0.819 1.00 34.14 H new ATOM 771 N GLU A 59 -5.367 5.660 -2.160 1.00 14.15 N ATOM 772 CA GLU A 59 -4.109 4.940 -2.129 1.00 13.14 C ATOM 773 C GLU A 59 -3.084 5.717 -1.319 1.00 61.12 C ATOM 774 O GLU A 59 -2.949 6.935 -1.464 1.00 41.04 O ATOM 775 CB GLU A 59 -3.592 4.675 -3.547 1.00 32.24 C ATOM 776 CG GLU A 59 -3.346 5.931 -4.365 1.00 44.34 C ATOM 777 CD GLU A 59 -2.906 5.622 -5.779 1.00 44.11 C ATOM 778 OE1 GLU A 59 -1.767 5.145 -5.960 1.00 35.12 O ATOM 779 OE2 GLU A 59 -3.695 5.856 -6.717 1.00 54.13 O ATOM 0 H GLU A 59 -5.304 6.607 -2.533 1.00 14.15 H new ATOM 0 HA GLU A 59 -4.275 3.975 -1.651 1.00 13.14 H new ATOM 0 HB2 GLU A 59 -2.663 4.109 -3.483 1.00 32.24 H new ATOM 0 HB3 GLU A 59 -4.312 4.048 -4.073 1.00 32.24 H new ATOM 0 HG2 GLU A 59 -4.258 6.527 -4.393 1.00 44.34 H new ATOM 0 HG3 GLU A 59 -2.584 6.537 -3.875 1.00 44.34 H new ATOM 786 N VAL A 60 -2.388 5.017 -0.445 1.00 4.40 N ATOM 787 CA VAL A 60 -1.373 5.633 0.384 1.00 31.31 C ATOM 788 C VAL A 60 0.002 5.326 -0.186 1.00 33.45 C ATOM 789 O VAL A 60 0.383 4.162 -0.320 1.00 52.42 O ATOM 790 CB VAL A 60 -1.445 5.135 1.843 1.00 22.32 C ATOM 791 CG1 VAL A 60 -0.495 5.922 2.733 1.00 14.21 C ATOM 792 CG2 VAL A 60 -2.869 5.220 2.372 1.00 12.45 C ATOM 0 H VAL A 60 -2.508 4.016 -0.291 1.00 4.40 H new ATOM 0 HA VAL A 60 -1.551 6.708 0.386 1.00 31.31 H new ATOM 0 HB VAL A 60 -1.136 4.090 1.858 1.00 22.32 H new ATOM 0 HG11 VAL A 60 -0.564 5.552 3.756 1.00 14.21 H new ATOM 0 HG12 VAL A 60 0.526 5.801 2.372 1.00 14.21 H new ATOM 0 HG13 VAL A 60 -0.765 6.978 2.710 1.00 14.21 H new ATOM 0 HG21 VAL A 60 -2.896 4.864 3.402 1.00 12.45 H new ATOM 0 HG22 VAL A 60 -3.209 6.255 2.337 1.00 12.45 H new ATOM 0 HG23 VAL A 60 -3.523 4.602 1.757 1.00 12.45 H new ATOM 802 N HIS A 61 0.734 6.370 -0.537 1.00 60.44 N ATOM 803 CA HIS A 61 2.053 6.209 -1.124 1.00 71.41 C ATOM 804 C HIS A 61 3.116 6.234 -0.041 1.00 22.54 C ATOM 805 O HIS A 61 3.232 7.198 0.721 1.00 4.44 O ATOM 806 CB HIS A 61 2.314 7.284 -2.178 1.00 74.52 C ATOM 807 CG HIS A 61 1.454 7.124 -3.396 1.00 23.41 C ATOM 808 ND1 HIS A 61 0.560 8.077 -3.827 1.00 70.44 N ATOM 809 CD2 HIS A 61 1.350 6.098 -4.271 1.00 31.35 C ATOM 810 CE1 HIS A 61 -0.051 7.642 -4.911 1.00 11.42 C ATOM 811 NE2 HIS A 61 0.404 6.442 -5.204 1.00 65.53 N ATOM 0 H HIS A 61 0.436 7.339 -0.425 1.00 60.44 H new ATOM 0 HA HIS A 61 2.096 5.241 -1.623 1.00 71.41 H new ATOM 0 HB2 HIS A 61 2.137 8.266 -1.740 1.00 74.52 H new ATOM 0 HB3 HIS A 61 3.363 7.251 -2.472 1.00 74.52 H new ATOM 0 HD1 HIS A 61 0.396 8.978 -3.378 1.00 70.44 H new ATOM 0 HD2 HIS A 61 1.910 5.175 -4.241 1.00 31.35 H new ATOM 0 HE1 HIS A 61 -0.802 8.182 -5.468 1.00 11.42 H new ATOM 820 N LEU A 62 3.871 5.156 0.020 1.00 30.41 N ATOM 821 CA LEU A 62 4.835 4.915 1.078 1.00 54.24 C ATOM 822 C LEU A 62 6.257 4.939 0.534 1.00 74.23 C ATOM 823 O LEU A 62 6.488 4.705 -0.654 1.00 73.34 O ATOM 824 CB LEU A 62 4.546 3.551 1.717 1.00 42.12 C ATOM 825 CG LEU A 62 3.722 3.562 3.012 1.00 20.03 C ATOM 826 CD1 LEU A 62 2.785 4.754 3.064 1.00 75.23 C ATOM 827 CD2 LEU A 62 2.914 2.284 3.117 1.00 24.21 C ATOM 0 H LEU A 62 3.833 4.410 -0.675 1.00 30.41 H new ATOM 0 HA LEU A 62 4.744 5.704 1.825 1.00 54.24 H new ATOM 0 HB2 LEU A 62 4.023 2.935 0.985 1.00 42.12 H new ATOM 0 HB3 LEU A 62 5.498 3.062 1.923 1.00 42.12 H new ATOM 0 HG LEU A 62 4.416 3.635 3.849 1.00 20.03 H new ATOM 0 HD11 LEU A 62 2.217 4.730 3.994 1.00 75.23 H new ATOM 0 HD12 LEU A 62 3.365 5.675 3.017 1.00 75.23 H new ATOM 0 HD13 LEU A 62 2.098 4.714 2.219 1.00 75.23 H new ATOM 0 HD21 LEU A 62 2.331 2.297 4.038 1.00 24.21 H new ATOM 0 HD22 LEU A 62 2.241 2.208 2.263 1.00 24.21 H new ATOM 0 HD23 LEU A 62 3.588 1.427 3.126 1.00 24.21 H new ATOM 839 N ASP A 63 7.194 5.210 1.419 1.00 2.53 N ATOM 840 CA ASP A 63 8.608 5.215 1.084 1.00 12.31 C ATOM 841 C ASP A 63 9.199 3.825 1.320 1.00 11.11 C ATOM 842 O ASP A 63 8.526 2.948 1.860 1.00 53.05 O ATOM 843 CB ASP A 63 9.326 6.283 1.931 1.00 60.35 C ATOM 844 CG ASP A 63 10.841 6.235 1.835 1.00 10.50 C ATOM 845 OD1 ASP A 63 11.376 6.176 0.709 1.00 14.25 O ATOM 846 OD2 ASP A 63 11.503 6.250 2.892 1.00 20.12 O ATOM 0 H ASP A 63 6.998 5.434 2.395 1.00 2.53 H new ATOM 0 HA ASP A 63 8.744 5.462 0.031 1.00 12.31 H new ATOM 0 HB2 ASP A 63 8.984 7.270 1.618 1.00 60.35 H new ATOM 0 HB3 ASP A 63 9.035 6.160 2.974 1.00 60.35 H new ATOM 851 N ARG A 64 10.443 3.640 0.903 1.00 53.12 N ATOM 852 CA ARG A 64 11.148 2.367 1.009 1.00 14.15 C ATOM 853 C ARG A 64 11.071 1.775 2.417 1.00 42.44 C ATOM 854 O ARG A 64 10.814 0.586 2.580 1.00 54.22 O ATOM 855 CB ARG A 64 12.603 2.570 0.600 1.00 60.00 C ATOM 856 CG ARG A 64 12.768 2.888 -0.874 1.00 45.24 C ATOM 857 CD ARG A 64 14.049 3.656 -1.141 1.00 11.20 C ATOM 858 NE ARG A 64 13.959 5.054 -0.723 1.00 30.43 N ATOM 859 CZ ARG A 64 14.982 5.909 -0.774 1.00 53.52 C ATOM 860 NH1 ARG A 64 16.187 5.477 -1.132 1.00 14.24 N ATOM 861 NH2 ARG A 64 14.800 7.182 -0.455 1.00 23.53 N ATOM 0 H ARG A 64 11.001 4.379 0.475 1.00 53.12 H new ATOM 0 HA ARG A 64 10.664 1.655 0.341 1.00 14.15 H new ATOM 0 HB2 ARG A 64 13.030 3.380 1.190 1.00 60.00 H new ATOM 0 HB3 ARG A 64 13.170 1.670 0.837 1.00 60.00 H new ATOM 0 HG2 ARG A 64 12.772 1.961 -1.448 1.00 45.24 H new ATOM 0 HG3 ARG A 64 11.915 3.472 -1.218 1.00 45.24 H new ATOM 0 HD2 ARG A 64 14.874 3.175 -0.615 1.00 11.20 H new ATOM 0 HD3 ARG A 64 14.280 3.612 -2.205 1.00 11.20 H new ATOM 0 HE ARG A 64 13.064 5.395 -0.373 1.00 30.43 H new ATOM 0 HH11 ARG A 64 16.328 4.494 -1.367 1.00 14.24 H new ATOM 0 HH12 ARG A 64 16.971 6.128 -1.172 1.00 14.24 H new ATOM 0 HH21 ARG A 64 13.877 7.509 -0.170 1.00 23.53 H new ATOM 0 HH22 ARG A 64 15.583 7.835 -0.494 1.00 23.53 H new ATOM 875 N ASP A 65 11.278 2.602 3.433 1.00 62.22 N ATOM 876 CA ASP A 65 11.213 2.129 4.815 1.00 71.51 C ATOM 877 C ASP A 65 9.839 2.405 5.412 1.00 32.35 C ATOM 878 O ASP A 65 9.694 2.546 6.625 1.00 70.11 O ATOM 879 CB ASP A 65 12.302 2.774 5.673 1.00 51.12 C ATOM 880 CG ASP A 65 13.697 2.324 5.290 1.00 53.32 C ATOM 881 OD1 ASP A 65 14.069 1.176 5.608 1.00 74.25 O ATOM 882 OD2 ASP A 65 14.430 3.120 4.669 1.00 22.10 O ATOM 0 H ASP A 65 11.490 3.594 3.332 1.00 62.22 H new ATOM 0 HA ASP A 65 11.382 1.052 4.806 1.00 71.51 H new ATOM 0 HB2 ASP A 65 12.237 3.858 5.580 1.00 51.12 H new ATOM 0 HB3 ASP A 65 12.123 2.533 6.721 1.00 51.12 H new ATOM 887 N PHE A 66 8.839 2.483 4.539 1.00 4.53 N ATOM 888 CA PHE A 66 7.440 2.624 4.940 1.00 10.13 C ATOM 889 C PHE A 66 7.137 3.963 5.604 1.00 11.52 C ATOM 890 O PHE A 66 6.263 4.055 6.464 1.00 4.44 O ATOM 891 CB PHE A 66 7.017 1.460 5.837 1.00 10.22 C ATOM 892 CG PHE A 66 6.621 0.249 5.047 1.00 63.53 C ATOM 893 CD1 PHE A 66 5.471 0.277 4.281 1.00 15.23 C ATOM 894 CD2 PHE A 66 7.392 -0.903 5.051 1.00 53.21 C ATOM 895 CE1 PHE A 66 5.092 -0.816 3.535 1.00 21.55 C ATOM 896 CE2 PHE A 66 7.017 -2.001 4.301 1.00 14.51 C ATOM 897 CZ PHE A 66 5.864 -1.956 3.546 1.00 41.55 C ATOM 0 H PHE A 66 8.975 2.450 3.529 1.00 4.53 H new ATOM 0 HA PHE A 66 6.850 2.599 4.024 1.00 10.13 H new ATOM 0 HB2 PHE A 66 7.838 1.202 6.506 1.00 10.22 H new ATOM 0 HB3 PHE A 66 6.181 1.772 6.464 1.00 10.22 H new ATOM 0 HD1 PHE A 66 4.861 1.168 4.268 1.00 15.23 H new ATOM 0 HD2 PHE A 66 8.293 -0.943 5.645 1.00 53.21 H new ATOM 0 HE1 PHE A 66 4.190 -0.779 2.942 1.00 21.55 H new ATOM 0 HE2 PHE A 66 7.626 -2.893 4.306 1.00 14.51 H new ATOM 0 HZ PHE A 66 5.566 -2.815 2.963 1.00 41.55 H new ATOM 907 N ARG A 67 7.833 5.008 5.181 1.00 62.05 N ATOM 908 CA ARG A 67 7.459 6.358 5.579 1.00 2.41 C ATOM 909 C ARG A 67 6.267 6.811 4.750 1.00 4.20 C ATOM 910 O ARG A 67 6.296 6.727 3.524 1.00 32.45 O ATOM 911 CB ARG A 67 8.618 7.347 5.398 1.00 61.35 C ATOM 912 CG ARG A 67 9.583 7.393 6.570 1.00 71.15 C ATOM 913 CD ARG A 67 10.493 6.181 6.612 1.00 74.04 C ATOM 914 NE ARG A 67 11.528 6.230 5.579 1.00 3.42 N ATOM 915 CZ ARG A 67 12.828 6.118 5.836 1.00 43.42 C ATOM 916 NH1 ARG A 67 13.243 6.016 7.092 1.00 3.43 N ATOM 917 NH2 ARG A 67 13.703 6.109 4.839 1.00 74.34 N ATOM 0 H ARG A 67 8.648 4.950 4.571 1.00 62.05 H new ATOM 0 HA ARG A 67 7.201 6.341 6.638 1.00 2.41 H new ATOM 0 HB2 ARG A 67 9.170 7.082 4.497 1.00 61.35 H new ATOM 0 HB3 ARG A 67 8.209 8.345 5.239 1.00 61.35 H new ATOM 0 HG2 ARG A 67 10.188 8.297 6.505 1.00 71.15 H new ATOM 0 HG3 ARG A 67 9.019 7.454 7.501 1.00 71.15 H new ATOM 0 HD2 ARG A 67 10.964 6.116 7.593 1.00 74.04 H new ATOM 0 HD3 ARG A 67 9.897 5.277 6.484 1.00 74.04 H new ATOM 0 HE ARG A 67 11.237 6.357 4.610 1.00 3.42 H new ATOM 0 HH11 ARG A 67 12.566 6.024 7.855 1.00 3.43 H new ATOM 0 HH12 ARG A 67 14.239 5.930 7.295 1.00 3.43 H new ATOM 0 HH21 ARG A 67 13.379 6.188 3.875 1.00 74.34 H new ATOM 0 HH22 ARG A 67 14.700 6.023 5.036 1.00 74.34 H new ATOM 931 N VAL A 68 5.211 7.256 5.411 1.00 53.40 N ATOM 932 CA VAL A 68 4.031 7.731 4.703 1.00 53.34 C ATOM 933 C VAL A 68 4.334 9.049 3.987 1.00 73.45 C ATOM 934 O VAL A 68 4.739 10.031 4.609 1.00 32.22 O ATOM 935 CB VAL A 68 2.812 7.891 5.648 1.00 22.23 C ATOM 936 CG1 VAL A 68 3.144 8.784 6.836 1.00 1.41 C ATOM 937 CG2 VAL A 68 1.610 8.433 4.887 1.00 44.15 C ATOM 0 H VAL A 68 5.145 7.299 6.428 1.00 53.40 H new ATOM 0 HA VAL A 68 3.768 6.977 3.961 1.00 53.34 H new ATOM 0 HB VAL A 68 2.560 6.904 6.035 1.00 22.23 H new ATOM 0 HG11 VAL A 68 2.268 8.875 7.478 1.00 1.41 H new ATOM 0 HG12 VAL A 68 3.965 8.345 7.403 1.00 1.41 H new ATOM 0 HG13 VAL A 68 3.436 9.771 6.479 1.00 1.41 H new ATOM 0 HG21 VAL A 68 0.765 8.538 5.568 1.00 44.15 H new ATOM 0 HG22 VAL A 68 1.857 9.406 4.462 1.00 44.15 H new ATOM 0 HG23 VAL A 68 1.346 7.744 4.085 1.00 44.15 H new ATOM 947 N LEU A 69 4.172 9.052 2.672 1.00 13.23 N ATOM 948 CA LEU A 69 4.460 10.237 1.881 1.00 61.22 C ATOM 949 C LEU A 69 3.193 11.039 1.624 1.00 2.10 C ATOM 950 O LEU A 69 3.067 12.178 2.076 1.00 53.51 O ATOM 951 CB LEU A 69 5.119 9.852 0.551 1.00 31.03 C ATOM 952 CG LEU A 69 6.453 9.110 0.670 1.00 71.20 C ATOM 953 CD1 LEU A 69 7.017 8.818 -0.709 1.00 12.32 C ATOM 954 CD2 LEU A 69 7.447 9.919 1.489 1.00 55.12 C ATOM 0 H LEU A 69 3.844 8.250 2.133 1.00 13.23 H new ATOM 0 HA LEU A 69 5.153 10.858 2.448 1.00 61.22 H new ATOM 0 HB2 LEU A 69 4.425 9.228 -0.012 1.00 31.03 H new ATOM 0 HB3 LEU A 69 5.278 10.759 -0.032 1.00 31.03 H new ATOM 0 HG LEU A 69 6.277 8.165 1.183 1.00 71.20 H new ATOM 0 HD11 LEU A 69 7.966 8.290 -0.610 1.00 12.32 H new ATOM 0 HD12 LEU A 69 6.314 8.199 -1.266 1.00 12.32 H new ATOM 0 HD13 LEU A 69 7.177 9.755 -1.242 1.00 12.32 H new ATOM 0 HD21 LEU A 69 8.388 9.374 1.561 1.00 55.12 H new ATOM 0 HD22 LEU A 69 7.621 10.880 1.005 1.00 55.12 H new ATOM 0 HD23 LEU A 69 7.046 10.084 2.489 1.00 55.12 H new ATOM 966 N ASP A 70 2.245 10.435 0.925 1.00 1.31 N ATOM 967 CA ASP A 70 1.041 11.147 0.518 1.00 32.04 C ATOM 968 C ASP A 70 -0.127 10.178 0.407 1.00 70.21 C ATOM 969 O ASP A 70 0.061 8.959 0.482 1.00 43.34 O ATOM 970 CB ASP A 70 1.279 11.849 -0.823 1.00 15.34 C ATOM 971 CG ASP A 70 0.349 13.026 -1.058 1.00 1.43 C ATOM 972 OD1 ASP A 70 -0.568 13.255 -0.241 1.00 12.45 O ATOM 973 OD2 ASP A 70 0.558 13.752 -2.054 1.00 65.43 O ATOM 0 H ASP A 70 2.284 9.460 0.629 1.00 1.31 H new ATOM 0 HA ASP A 70 0.800 11.898 1.270 1.00 32.04 H new ATOM 0 HB2 ASP A 70 2.311 12.196 -0.865 1.00 15.34 H new ATOM 0 HB3 ASP A 70 1.152 11.128 -1.630 1.00 15.34 H new ATOM 978 N THR A 71 -1.321 10.717 0.242 1.00 54.32 N ATOM 979 CA THR A 71 -2.524 9.913 0.136 1.00 44.33 C ATOM 980 C THR A 71 -3.535 10.589 -0.786 1.00 53.31 C ATOM 981 O THR A 71 -4.023 11.683 -0.500 1.00 45.51 O ATOM 982 CB THR A 71 -3.155 9.679 1.524 1.00 2.52 C ATOM 983 OG1 THR A 71 -2.166 9.150 2.419 1.00 11.14 O ATOM 984 CG2 THR A 71 -4.334 8.716 1.440 1.00 61.25 C ATOM 0 H THR A 71 -1.484 11.722 0.178 1.00 54.32 H new ATOM 0 HA THR A 71 -2.247 8.947 -0.285 1.00 44.33 H new ATOM 0 HB THR A 71 -3.521 10.635 1.897 1.00 2.52 H new ATOM 0 HG1 THR A 71 -2.568 9.003 3.301 1.00 11.14 H new ATOM 0 HG21 THR A 71 -4.757 8.571 2.434 1.00 61.25 H new ATOM 0 HG22 THR A 71 -5.095 9.129 0.778 1.00 61.25 H new ATOM 0 HG23 THR A 71 -3.994 7.758 1.048 1.00 61.25 H new ATOM 992 N GLU A 72 -3.830 9.940 -1.897 1.00 21.02 N ATOM 993 CA GLU A 72 -4.770 10.471 -2.869 1.00 12.42 C ATOM 994 C GLU A 72 -5.760 9.387 -3.292 1.00 45.24 C ATOM 995 O GLU A 72 -5.489 8.202 -3.112 1.00 33.22 O ATOM 996 CB GLU A 72 -4.025 11.031 -4.091 1.00 51.10 C ATOM 997 CG GLU A 72 -2.932 10.121 -4.631 1.00 60.14 C ATOM 998 CD GLU A 72 -1.549 10.496 -4.125 1.00 50.41 C ATOM 999 OE1 GLU A 72 -1.136 9.998 -3.057 1.00 34.55 O ATOM 1000 OE2 GLU A 72 -0.857 11.278 -4.812 1.00 22.33 O ATOM 0 H GLU A 72 -3.429 9.037 -2.151 1.00 21.02 H new ATOM 0 HA GLU A 72 -5.325 11.287 -2.406 1.00 12.42 H new ATOM 0 HB2 GLU A 72 -4.747 11.223 -4.885 1.00 51.10 H new ATOM 0 HB3 GLU A 72 -3.583 11.991 -3.824 1.00 51.10 H new ATOM 0 HG2 GLU A 72 -3.150 9.091 -4.348 1.00 60.14 H new ATOM 0 HG3 GLU A 72 -2.938 10.160 -5.720 1.00 60.14 H new ATOM 1007 N PRO A 73 -6.928 9.777 -3.838 1.00 24.14 N ATOM 1008 CA PRO A 73 -7.948 8.824 -4.297 1.00 13.14 C ATOM 1009 C PRO A 73 -7.427 7.892 -5.388 1.00 31.35 C ATOM 1010 O PRO A 73 -6.644 8.297 -6.251 1.00 31.22 O ATOM 1011 CB PRO A 73 -9.069 9.716 -4.845 1.00 34.53 C ATOM 1012 CG PRO A 73 -8.436 11.047 -5.074 1.00 42.14 C ATOM 1013 CD PRO A 73 -7.351 11.171 -4.045 1.00 12.13 C ATOM 0 HA PRO A 73 -8.271 8.166 -3.490 1.00 13.14 H new ATOM 0 HB2 PRO A 73 -9.478 9.310 -5.770 1.00 34.53 H new ATOM 0 HB3 PRO A 73 -9.895 9.790 -4.137 1.00 34.53 H new ATOM 0 HG2 PRO A 73 -8.027 11.117 -6.082 1.00 42.14 H new ATOM 0 HG3 PRO A 73 -9.166 11.850 -4.970 1.00 42.14 H new ATOM 0 HD2 PRO A 73 -6.529 11.794 -4.399 1.00 12.13 H new ATOM 0 HD3 PRO A 73 -7.719 11.622 -3.123 1.00 12.13 H new ATOM 1021 N ALA A 74 -7.868 6.647 -5.342 1.00 12.03 N ATOM 1022 CA ALA A 74 -7.426 5.641 -6.292 1.00 12.14 C ATOM 1023 C ALA A 74 -8.612 5.007 -6.997 1.00 40.54 C ATOM 1024 O ALA A 74 -9.499 4.444 -6.352 1.00 71.34 O ATOM 1025 CB ALA A 74 -6.613 4.572 -5.585 1.00 52.24 C ATOM 0 H ALA A 74 -8.537 6.307 -4.651 1.00 12.03 H new ATOM 0 HA ALA A 74 -6.800 6.130 -7.038 1.00 12.14 H new ATOM 0 HB1 ALA A 74 -6.288 3.824 -6.308 1.00 52.24 H new ATOM 0 HB2 ALA A 74 -5.740 5.028 -5.118 1.00 52.24 H new ATOM 0 HB3 ALA A 74 -7.226 4.095 -4.821 1.00 52.24 H new ATOM 1031 N ASP A 75 -8.628 5.092 -8.317 1.00 44.33 N ATOM 1032 CA ASP A 75 -9.710 4.511 -9.098 1.00 42.22 C ATOM 1033 C ASP A 75 -9.172 3.970 -10.409 1.00 23.33 C ATOM 1034 O ASP A 75 -8.724 4.732 -11.267 1.00 3.44 O ATOM 1035 CB ASP A 75 -10.803 5.548 -9.370 1.00 11.24 C ATOM 1036 CG ASP A 75 -12.076 4.921 -9.908 1.00 13.42 C ATOM 1037 OD1 ASP A 75 -12.863 4.389 -9.095 1.00 24.04 O ATOM 1038 OD2 ASP A 75 -12.302 4.965 -11.138 1.00 64.51 O ATOM 0 H ASP A 75 -7.907 5.556 -8.870 1.00 44.33 H new ATOM 0 HA ASP A 75 -10.146 3.693 -8.524 1.00 42.22 H new ATOM 0 HB2 ASP A 75 -11.027 6.085 -8.449 1.00 11.24 H new ATOM 0 HB3 ASP A 75 -10.433 6.283 -10.085 1.00 11.24 H new ATOM 1043 N GLY A 76 -9.186 2.651 -10.541 1.00 71.51 N ATOM 1044 CA GLY A 76 -8.745 2.019 -11.765 1.00 35.14 C ATOM 1045 C GLY A 76 -9.696 2.292 -12.911 1.00 14.10 C ATOM 1046 O GLY A 76 -10.631 1.528 -13.147 1.00 25.11 O ATOM 0 H GLY A 76 -9.497 2.005 -9.816 1.00 71.51 H new ATOM 0 HA2 GLY A 76 -7.750 2.382 -12.024 1.00 35.14 H new ATOM 0 HA3 GLY A 76 -8.662 0.943 -11.610 1.00 35.14 H new ATOM 1050 N ASP A 77 -9.457 3.393 -13.613 1.00 51.24 N ATOM 1051 CA ASP A 77 -10.328 3.818 -14.701 1.00 75.55 C ATOM 1052 C ASP A 77 -10.339 2.794 -15.828 1.00 73.13 C ATOM 1053 O ASP A 77 -11.371 2.565 -16.459 1.00 3.21 O ATOM 1054 CB ASP A 77 -9.891 5.184 -15.233 1.00 41.43 C ATOM 1055 CG ASP A 77 -10.874 5.751 -16.233 1.00 61.24 C ATOM 1056 OD1 ASP A 77 -11.923 6.272 -15.802 1.00 65.41 O ATOM 1057 OD2 ASP A 77 -10.610 5.677 -17.448 1.00 21.31 O ATOM 0 H ASP A 77 -8.662 4.011 -13.447 1.00 51.24 H new ATOM 0 HA ASP A 77 -11.341 3.900 -14.307 1.00 75.55 H new ATOM 0 HB2 ASP A 77 -9.782 5.878 -14.400 1.00 41.43 H new ATOM 0 HB3 ASP A 77 -8.911 5.093 -15.702 1.00 41.43 H new ATOM 1062 N GLY A 78 -9.195 2.175 -16.074 1.00 23.51 N ATOM 1063 CA GLY A 78 -9.131 1.131 -17.074 1.00 13.31 C ATOM 1064 C GLY A 78 -7.718 0.843 -17.534 1.00 4.20 C ATOM 1065 O GLY A 78 -7.341 -0.317 -17.696 1.00 44.13 O ATOM 0 H GLY A 78 -8.314 2.376 -15.602 1.00 23.51 H new ATOM 0 HA2 GLY A 78 -9.569 0.219 -16.669 1.00 13.31 H new ATOM 0 HA3 GLY A 78 -9.736 1.420 -17.933 1.00 13.31 H new ATOM 1069 N GLY A 79 -6.933 1.893 -17.724 1.00 10.35 N ATOM 1070 CA GLY A 79 -5.593 1.735 -18.257 1.00 62.41 C ATOM 1071 C GLY A 79 -4.627 1.112 -17.272 1.00 33.15 C ATOM 1072 O GLY A 79 -4.444 1.613 -16.161 1.00 73.14 O ATOM 0 H GLY A 79 -7.200 2.856 -17.518 1.00 10.35 H new ATOM 0 HA2 GLY A 79 -5.637 1.116 -19.153 1.00 62.41 H new ATOM 0 HA3 GLY A 79 -5.213 2.710 -18.561 1.00 62.41 H new ATOM 1076 N LEU A 80 -4.025 0.001 -17.679 1.00 34.20 N ATOM 1077 CA LEU A 80 -2.997 -0.662 -16.892 1.00 24.51 C ATOM 1078 C LEU A 80 -1.722 -0.780 -17.718 1.00 61.20 C ATOM 1079 O LEU A 80 -1.706 -1.439 -18.761 1.00 15.21 O ATOM 1080 CB LEU A 80 -3.470 -2.053 -16.451 1.00 23.14 C ATOM 1081 CG LEU A 80 -4.700 -2.071 -15.538 1.00 12.21 C ATOM 1082 CD1 LEU A 80 -5.125 -3.500 -15.246 1.00 62.10 C ATOM 1083 CD2 LEU A 80 -4.412 -1.330 -14.241 1.00 70.25 C ATOM 0 H LEU A 80 -4.236 -0.463 -18.562 1.00 34.20 H new ATOM 0 HA LEU A 80 -2.797 -0.069 -15.999 1.00 24.51 H new ATOM 0 HB2 LEU A 80 -3.691 -2.642 -17.341 1.00 23.14 H new ATOM 0 HB3 LEU A 80 -2.649 -2.551 -15.935 1.00 23.14 H new ATOM 0 HG LEU A 80 -5.517 -1.565 -16.052 1.00 12.21 H new ATOM 0 HD11 LEU A 80 -6.000 -3.494 -14.596 1.00 62.10 H new ATOM 0 HD12 LEU A 80 -5.371 -4.005 -16.180 1.00 62.10 H new ATOM 0 HD13 LEU A 80 -4.310 -4.028 -14.752 1.00 62.10 H new ATOM 0 HD21 LEU A 80 -5.297 -1.353 -13.605 1.00 70.25 H new ATOM 0 HD22 LEU A 80 -3.581 -1.810 -13.724 1.00 70.25 H new ATOM 0 HD23 LEU A 80 -4.152 -0.295 -14.463 1.00 70.25 H new ATOM 1095 N GLU A 81 -0.659 -0.141 -17.260 1.00 11.41 N ATOM 1096 CA GLU A 81 0.587 -0.114 -18.009 1.00 50.23 C ATOM 1097 C GLU A 81 1.727 -0.720 -17.197 1.00 22.22 C ATOM 1098 O GLU A 81 1.440 -1.475 -16.241 1.00 11.33 O ATOM 1099 CB GLU A 81 0.924 1.326 -18.406 1.00 25.44 C ATOM 1100 CG GLU A 81 1.063 2.268 -17.218 1.00 75.51 C ATOM 1101 CD GLU A 81 1.351 3.691 -17.635 1.00 30.12 C ATOM 1102 OE1 GLU A 81 2.536 4.030 -17.836 1.00 33.21 O ATOM 1103 OE2 GLU A 81 0.394 4.481 -17.758 1.00 12.05 O ATOM 1104 OXT GLU A 81 2.902 -0.457 -17.530 1.00 0.00 O ATOM 0 H GLU A 81 -0.633 0.365 -16.375 1.00 11.41 H new ATOM 0 HA GLU A 81 0.461 -0.714 -18.910 1.00 50.23 H new ATOM 0 HB2 GLU A 81 1.855 1.330 -18.973 1.00 25.44 H new ATOM 0 HB3 GLU A 81 0.145 1.703 -19.069 1.00 25.44 H new ATOM 0 HG2 GLU A 81 0.145 2.244 -16.631 1.00 75.51 H new ATOM 0 HG3 GLU A 81 1.865 1.914 -16.570 1.00 75.51 H new TER 1111 GLU A 81