USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=9 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+ -118:sc= 0.105 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0.187! X(o=0.19!,f=-0.082) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -41:sc= 0.886 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 120:sc= 0.0229 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.295 X(o=-0.29,f=-0.15) USER MOD Single : A 71 THR OG1 : rot 46:sc= 0.127 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.242 3.279 16.876 1.00 13.34 N ATOM 2 CA GLY A 1 7.366 2.977 15.719 1.00 32.50 C ATOM 3 C GLY A 1 7.586 1.576 15.195 1.00 32.42 C ATOM 4 O GLY A 1 8.391 0.823 15.745 1.00 12.34 O ATOM 0 H1 GLY A 1 7.657 3.475 17.713 1.00 13.34 H new ATOM 0 H2 GLY A 1 8.858 2.463 17.067 1.00 13.34 H new ATOM 0 H3 GLY A 1 8.827 4.111 16.661 1.00 13.34 H new ATOM 0 HA2 GLY A 1 6.323 3.095 16.013 1.00 32.50 H new ATOM 0 HA3 GLY A 1 7.556 3.696 14.922 1.00 32.50 H new ATOM 10 N ALA A 2 6.879 1.222 14.134 1.00 51.52 N ATOM 11 CA ALA A 2 6.992 -0.106 13.551 1.00 52.42 C ATOM 12 C ALA A 2 6.919 -0.035 12.032 1.00 44.40 C ATOM 13 O ALA A 2 5.909 0.394 11.468 1.00 43.10 O ATOM 14 CB ALA A 2 5.898 -1.015 14.094 1.00 12.21 C ATOM 0 H ALA A 2 6.219 1.837 13.658 1.00 51.52 H new ATOM 0 HA ALA A 2 7.961 -0.522 13.827 1.00 52.42 H new ATOM 0 HB1 ALA A 2 5.994 -2.006 13.650 1.00 12.21 H new ATOM 0 HB2 ALA A 2 5.993 -1.092 15.177 1.00 12.21 H new ATOM 0 HB3 ALA A 2 4.922 -0.599 13.845 1.00 12.21 H new ATOM 20 N MET A 3 7.996 -0.435 11.376 1.00 65.10 N ATOM 21 CA MET A 3 8.036 -0.464 9.924 1.00 42.14 C ATOM 22 C MET A 3 7.626 -1.841 9.426 1.00 73.53 C ATOM 23 O MET A 3 7.936 -2.856 10.055 1.00 43.42 O ATOM 24 CB MET A 3 9.432 -0.106 9.401 1.00 23.44 C ATOM 25 CG MET A 3 9.772 1.375 9.491 1.00 72.14 C ATOM 26 SD MET A 3 9.932 1.967 11.186 1.00 72.22 S ATOM 27 CE MET A 3 10.227 3.711 10.897 1.00 54.23 C ATOM 0 H MET A 3 8.856 -0.745 11.828 1.00 65.10 H new ATOM 0 HA MET A 3 7.335 0.281 9.546 1.00 42.14 H new ATOM 0 HB2 MET A 3 10.174 -0.672 9.963 1.00 23.44 H new ATOM 0 HB3 MET A 3 9.510 -0.423 8.361 1.00 23.44 H new ATOM 0 HG2 MET A 3 10.705 1.560 8.959 1.00 72.14 H new ATOM 0 HG3 MET A 3 8.997 1.950 8.984 1.00 72.14 H new ATOM 0 HE1 MET A 3 10.348 4.223 11.852 1.00 54.23 H new ATOM 0 HE2 MET A 3 11.132 3.833 10.302 1.00 54.23 H new ATOM 0 HE3 MET A 3 9.380 4.139 10.361 1.00 54.23 H new ATOM 37 N ALA A 4 6.919 -1.872 8.306 1.00 15.31 N ATOM 38 CA ALA A 4 6.411 -3.119 7.749 1.00 54.03 C ATOM 39 C ALA A 4 7.510 -3.936 7.076 1.00 43.43 C ATOM 40 O ALA A 4 7.584 -4.017 5.851 1.00 64.22 O ATOM 41 CB ALA A 4 5.284 -2.839 6.768 1.00 14.41 C ATOM 0 H ALA A 4 6.682 -1.043 7.761 1.00 15.31 H new ATOM 0 HA ALA A 4 6.026 -3.713 8.578 1.00 54.03 H new ATOM 0 HB1 ALA A 4 4.915 -3.780 6.360 1.00 14.41 H new ATOM 0 HB2 ALA A 4 4.473 -2.323 7.283 1.00 14.41 H new ATOM 0 HB3 ALA A 4 5.655 -2.213 5.957 1.00 14.41 H new ATOM 47 N PHE A 5 8.371 -4.521 7.888 1.00 20.43 N ATOM 48 CA PHE A 5 9.393 -5.428 7.398 1.00 42.22 C ATOM 49 C PHE A 5 9.325 -6.728 8.188 1.00 62.04 C ATOM 50 O PHE A 5 9.685 -6.760 9.365 1.00 60.21 O ATOM 51 CB PHE A 5 10.790 -4.805 7.502 1.00 10.40 C ATOM 52 CG PHE A 5 10.979 -3.595 6.630 1.00 74.22 C ATOM 53 CD1 PHE A 5 11.020 -3.715 5.249 1.00 51.33 C ATOM 54 CD2 PHE A 5 11.112 -2.337 7.192 1.00 74.52 C ATOM 55 CE1 PHE A 5 11.196 -2.604 4.448 1.00 22.42 C ATOM 56 CE2 PHE A 5 11.288 -1.222 6.396 1.00 23.01 C ATOM 57 CZ PHE A 5 11.329 -1.356 5.022 1.00 40.12 C ATOM 0 H PHE A 5 8.382 -4.383 8.898 1.00 20.43 H new ATOM 0 HA PHE A 5 9.208 -5.631 6.343 1.00 42.22 H new ATOM 0 HB2 PHE A 5 10.978 -4.527 8.539 1.00 10.40 H new ATOM 0 HB3 PHE A 5 11.534 -5.555 7.233 1.00 10.40 H new ATOM 0 HD1 PHE A 5 10.913 -4.689 4.795 1.00 51.33 H new ATOM 0 HD2 PHE A 5 11.078 -2.226 8.266 1.00 74.52 H new ATOM 0 HE1 PHE A 5 11.230 -2.712 3.374 1.00 22.42 H new ATOM 0 HE2 PHE A 5 11.393 -0.247 6.847 1.00 23.01 H new ATOM 0 HZ PHE A 5 11.465 -0.485 4.398 1.00 40.12 H new ATOM 67 N ASP A 6 8.840 -7.781 7.524 1.00 0.14 N ATOM 68 CA ASP A 6 8.577 -9.080 8.154 1.00 45.01 C ATOM 69 C ASP A 6 7.424 -8.988 9.150 1.00 54.41 C ATOM 70 O ASP A 6 7.537 -8.354 10.199 1.00 54.24 O ATOM 71 CB ASP A 6 9.827 -9.647 8.837 1.00 15.34 C ATOM 72 CG ASP A 6 9.535 -10.947 9.559 1.00 64.21 C ATOM 73 OD1 ASP A 6 9.179 -11.938 8.884 1.00 24.15 O ATOM 74 OD2 ASP A 6 9.642 -10.977 10.804 1.00 74.32 O ATOM 0 H ASP A 6 8.617 -7.757 6.529 1.00 0.14 H new ATOM 0 HA ASP A 6 8.292 -9.766 7.357 1.00 45.01 H new ATOM 0 HB2 ASP A 6 10.605 -9.812 8.091 1.00 15.34 H new ATOM 0 HB3 ASP A 6 10.216 -8.917 9.547 1.00 15.34 H new ATOM 79 N GLY A 7 6.307 -9.614 8.810 1.00 54.35 N ATOM 80 CA GLY A 7 5.155 -9.603 9.690 1.00 13.34 C ATOM 81 C GLY A 7 4.545 -10.977 9.845 1.00 13.05 C ATOM 82 O GLY A 7 4.748 -11.646 10.859 1.00 22.25 O ATOM 0 H GLY A 7 6.177 -10.130 7.940 1.00 54.35 H new ATOM 0 HA2 GLY A 7 5.451 -9.226 10.669 1.00 13.34 H new ATOM 0 HA3 GLY A 7 4.405 -8.916 9.297 1.00 13.34 H new ATOM 86 N GLU A 8 3.792 -11.401 8.845 1.00 30.04 N ATOM 87 CA GLU A 8 3.192 -12.723 8.852 1.00 43.51 C ATOM 88 C GLU A 8 4.179 -13.750 8.295 1.00 60.41 C ATOM 89 O GLU A 8 5.113 -13.390 7.576 1.00 10.34 O ATOM 90 CB GLU A 8 1.891 -12.707 8.040 1.00 23.23 C ATOM 91 CG GLU A 8 1.105 -14.007 8.099 1.00 60.11 C ATOM 92 CD GLU A 8 0.820 -14.462 9.517 1.00 13.51 C ATOM 93 OE1 GLU A 8 -0.225 -14.070 10.077 1.00 51.54 O ATOM 94 OE2 GLU A 8 1.638 -15.226 10.073 1.00 64.44 O ATOM 0 H GLU A 8 3.581 -10.846 8.015 1.00 30.04 H new ATOM 0 HA GLU A 8 2.952 -13.008 9.877 1.00 43.51 H new ATOM 0 HB2 GLU A 8 1.259 -11.896 8.403 1.00 23.23 H new ATOM 0 HB3 GLU A 8 2.128 -12.485 6.999 1.00 23.23 H new ATOM 0 HG2 GLU A 8 0.162 -13.880 7.568 1.00 60.11 H new ATOM 0 HG3 GLU A 8 1.662 -14.786 7.578 1.00 60.11 H new ATOM 101 N ASP A 9 3.983 -15.015 8.653 1.00 43.50 N ATOM 102 CA ASP A 9 4.856 -16.097 8.195 1.00 3.34 C ATOM 103 C ASP A 9 4.408 -16.568 6.815 1.00 1.32 C ATOM 104 O ASP A 9 5.091 -17.345 6.145 1.00 41.53 O ATOM 105 CB ASP A 9 4.817 -17.263 9.192 1.00 34.14 C ATOM 106 CG ASP A 9 6.014 -18.191 9.075 1.00 13.44 C ATOM 107 OD1 ASP A 9 7.083 -17.855 9.632 1.00 44.10 O ATOM 108 OD2 ASP A 9 5.891 -19.273 8.463 1.00 31.10 O ATOM 0 H ASP A 9 3.224 -15.320 9.262 1.00 43.50 H new ATOM 0 HA ASP A 9 5.880 -15.729 8.130 1.00 3.34 H new ATOM 0 HB2 ASP A 9 4.772 -16.865 10.206 1.00 34.14 H new ATOM 0 HB3 ASP A 9 3.904 -17.837 9.034 1.00 34.14 H new ATOM 113 N GLU A 10 3.250 -16.075 6.399 1.00 14.24 N ATOM 114 CA GLU A 10 2.694 -16.385 5.093 1.00 52.32 C ATOM 115 C GLU A 10 3.286 -15.446 4.051 1.00 25.53 C ATOM 116 O GLU A 10 2.742 -14.372 3.791 1.00 63.54 O ATOM 117 CB GLU A 10 1.172 -16.229 5.118 1.00 4.15 C ATOM 118 CG GLU A 10 0.491 -16.997 6.239 1.00 23.25 C ATOM 119 CD GLU A 10 0.544 -18.493 6.039 1.00 1.10 C ATOM 120 OE1 GLU A 10 -0.331 -19.025 5.322 1.00 75.23 O ATOM 121 OE2 GLU A 10 1.441 -19.144 6.603 1.00 14.21 O ATOM 0 H GLU A 10 2.671 -15.449 6.959 1.00 14.24 H new ATOM 0 HA GLU A 10 2.941 -17.416 4.838 1.00 52.32 H new ATOM 0 HB2 GLU A 10 0.927 -15.171 5.215 1.00 4.15 H new ATOM 0 HB3 GLU A 10 0.767 -16.564 4.163 1.00 4.15 H new ATOM 0 HG2 GLU A 10 0.966 -16.745 7.187 1.00 23.25 H new ATOM 0 HG3 GLU A 10 -0.550 -16.681 6.310 1.00 23.25 H new ATOM 128 N VAL A 11 4.409 -15.833 3.475 1.00 63.43 N ATOM 129 CA VAL A 11 5.105 -14.971 2.532 1.00 22.01 C ATOM 130 C VAL A 11 4.525 -15.126 1.130 1.00 4.24 C ATOM 131 O VAL A 11 4.945 -15.990 0.359 1.00 34.32 O ATOM 132 CB VAL A 11 6.623 -15.257 2.496 1.00 10.35 C ATOM 133 CG1 VAL A 11 7.348 -14.209 1.662 1.00 45.14 C ATOM 134 CG2 VAL A 11 7.196 -15.310 3.904 1.00 40.40 C ATOM 0 H VAL A 11 4.859 -16.733 3.641 1.00 63.43 H new ATOM 0 HA VAL A 11 4.961 -13.946 2.875 1.00 22.01 H new ATOM 0 HB VAL A 11 6.774 -16.231 2.030 1.00 10.35 H new ATOM 0 HG11 VAL A 11 8.416 -14.429 1.650 1.00 45.14 H new ATOM 0 HG12 VAL A 11 6.962 -14.225 0.643 1.00 45.14 H new ATOM 0 HG13 VAL A 11 7.186 -13.222 2.096 1.00 45.14 H new ATOM 0 HG21 VAL A 11 8.266 -15.513 3.854 1.00 40.40 H new ATOM 0 HG22 VAL A 11 7.030 -14.354 4.400 1.00 40.40 H new ATOM 0 HG23 VAL A 11 6.703 -16.102 4.468 1.00 40.40 H new ATOM 144 N THR A 12 3.538 -14.299 0.816 1.00 54.34 N ATOM 145 CA THR A 12 2.917 -14.315 -0.499 1.00 30.01 C ATOM 146 C THR A 12 3.578 -13.292 -1.417 1.00 65.30 C ATOM 147 O THR A 12 3.269 -13.207 -2.606 1.00 21.02 O ATOM 148 CB THR A 12 1.412 -14.007 -0.394 1.00 73.35 C ATOM 149 OG1 THR A 12 1.220 -12.796 0.349 1.00 60.31 O ATOM 150 CG2 THR A 12 0.667 -15.149 0.284 1.00 64.40 C ATOM 0 H THR A 12 3.150 -13.607 1.457 1.00 54.34 H new ATOM 0 HA THR A 12 3.049 -15.312 -0.918 1.00 30.01 H new ATOM 0 HB THR A 12 1.013 -13.889 -1.402 1.00 73.35 H new ATOM 0 HG1 THR A 12 0.262 -12.600 0.414 1.00 60.31 H new ATOM 0 HG21 THR A 12 -0.394 -14.906 0.345 1.00 64.40 H new ATOM 0 HG22 THR A 12 0.797 -16.063 -0.296 1.00 64.40 H new ATOM 0 HG23 THR A 12 1.064 -15.297 1.288 1.00 64.40 H new ATOM 158 N GLY A 13 4.484 -12.516 -0.849 1.00 4.32 N ATOM 159 CA GLY A 13 5.188 -11.503 -1.602 1.00 23.43 C ATOM 160 C GLY A 13 6.052 -10.656 -0.696 1.00 71.22 C ATOM 161 O GLY A 13 5.685 -10.424 0.456 1.00 34.43 O ATOM 0 H GLY A 13 4.747 -12.571 0.135 1.00 4.32 H new ATOM 0 HA2 GLY A 13 5.808 -11.976 -2.363 1.00 23.43 H new ATOM 0 HA3 GLY A 13 4.471 -10.869 -2.124 1.00 23.43 H new ATOM 165 N PRO A 14 7.204 -10.182 -1.183 1.00 63.04 N ATOM 166 CA PRO A 14 8.144 -9.402 -0.373 1.00 24.21 C ATOM 167 C PRO A 14 7.531 -8.095 0.121 1.00 62.34 C ATOM 168 O PRO A 14 7.536 -7.805 1.317 1.00 3.11 O ATOM 169 CB PRO A 14 9.310 -9.124 -1.331 1.00 43.14 C ATOM 170 CG PRO A 14 8.745 -9.315 -2.698 1.00 32.24 C ATOM 171 CD PRO A 14 7.681 -10.364 -2.563 1.00 30.04 C ATOM 0 HA PRO A 14 8.443 -9.936 0.529 1.00 24.21 H new ATOM 0 HB2 PRO A 14 9.694 -8.112 -1.201 1.00 43.14 H new ATOM 0 HB3 PRO A 14 10.141 -9.806 -1.149 1.00 43.14 H new ATOM 0 HG2 PRO A 14 8.328 -8.384 -3.082 1.00 32.24 H new ATOM 0 HG3 PRO A 14 9.518 -9.631 -3.399 1.00 32.24 H new ATOM 0 HD2 PRO A 14 6.880 -10.221 -3.288 1.00 30.04 H new ATOM 0 HD3 PRO A 14 8.080 -11.366 -2.722 1.00 30.04 H new ATOM 179 N ASP A 15 7.010 -7.313 -0.808 1.00 74.12 N ATOM 180 CA ASP A 15 6.381 -6.041 -0.492 1.00 74.23 C ATOM 181 C ASP A 15 4.866 -6.188 -0.414 1.00 51.31 C ATOM 182 O ASP A 15 4.220 -5.578 0.440 1.00 22.42 O ATOM 183 CB ASP A 15 6.755 -4.997 -1.549 1.00 25.14 C ATOM 184 CG ASP A 15 6.332 -5.401 -2.952 1.00 32.41 C ATOM 185 OD1 ASP A 15 6.515 -6.585 -3.318 1.00 31.04 O ATOM 186 OD2 ASP A 15 5.818 -4.543 -3.692 1.00 1.44 O ATOM 0 H ASP A 15 7.011 -7.541 -1.802 1.00 74.12 H new ATOM 0 HA ASP A 15 6.742 -5.711 0.482 1.00 74.23 H new ATOM 0 HB2 ASP A 15 6.289 -4.045 -1.294 1.00 25.14 H new ATOM 0 HB3 ASP A 15 7.833 -4.839 -1.531 1.00 25.14 H new ATOM 191 N ALA A 16 4.318 -7.016 -1.302 1.00 74.34 N ATOM 192 CA ALA A 16 2.875 -7.223 -1.410 1.00 24.31 C ATOM 193 C ALA A 16 2.235 -7.541 -0.061 1.00 72.20 C ATOM 194 O ALA A 16 1.226 -6.940 0.311 1.00 5.50 O ATOM 195 CB ALA A 16 2.583 -8.339 -2.404 1.00 54.33 C ATOM 0 H ALA A 16 4.863 -7.563 -1.968 1.00 74.34 H new ATOM 0 HA ALA A 16 2.436 -6.291 -1.765 1.00 24.31 H new ATOM 0 HB1 ALA A 16 1.506 -8.487 -2.479 1.00 54.33 H new ATOM 0 HB2 ALA A 16 2.981 -8.068 -3.382 1.00 54.33 H new ATOM 0 HB3 ALA A 16 3.053 -9.262 -2.064 1.00 54.33 H new ATOM 201 N ASP A 17 2.825 -8.483 0.663 1.00 40.12 N ATOM 202 CA ASP A 17 2.309 -8.897 1.966 1.00 32.11 C ATOM 203 C ASP A 17 2.405 -7.773 2.989 1.00 12.30 C ATOM 204 O ASP A 17 1.420 -7.407 3.631 1.00 42.42 O ATOM 205 CB ASP A 17 3.080 -10.124 2.469 1.00 24.51 C ATOM 206 CG ASP A 17 2.983 -10.308 3.974 1.00 45.13 C ATOM 207 OD1 ASP A 17 1.947 -10.810 4.449 1.00 13.13 O ATOM 208 OD2 ASP A 17 3.946 -9.941 4.688 1.00 53.41 O ATOM 0 H ASP A 17 3.667 -8.979 0.370 1.00 40.12 H new ATOM 0 HA ASP A 17 1.256 -9.151 1.842 1.00 32.11 H new ATOM 0 HB2 ASP A 17 2.696 -11.016 1.974 1.00 24.51 H new ATOM 0 HB3 ASP A 17 4.128 -10.029 2.187 1.00 24.51 H new ATOM 213 N ARG A 18 3.589 -7.197 3.093 1.00 54.11 N ATOM 214 CA ARG A 18 3.903 -6.285 4.181 1.00 64.34 C ATOM 215 C ARG A 18 3.199 -4.950 4.012 1.00 45.25 C ATOM 216 O ARG A 18 2.747 -4.354 4.988 1.00 62.33 O ATOM 217 CB ARG A 18 5.411 -6.098 4.265 1.00 24.05 C ATOM 218 CG ARG A 18 6.155 -7.397 4.034 1.00 45.33 C ATOM 219 CD ARG A 18 7.563 -7.371 4.603 1.00 62.42 C ATOM 220 NE ARG A 18 8.301 -8.615 4.336 1.00 2.13 N ATOM 221 CZ ARG A 18 7.889 -9.845 4.680 1.00 5.52 C ATOM 222 NH1 ARG A 18 6.699 -10.046 5.239 1.00 32.34 N ATOM 223 NH2 ARG A 18 8.664 -10.889 4.429 1.00 65.22 N ATOM 0 H ARG A 18 4.353 -7.345 2.434 1.00 54.11 H new ATOM 0 HA ARG A 18 3.542 -6.719 5.113 1.00 64.34 H new ATOM 0 HB2 ARG A 18 5.727 -5.362 3.526 1.00 24.05 H new ATOM 0 HB3 ARG A 18 5.673 -5.699 5.245 1.00 24.05 H new ATOM 0 HG2 ARG A 18 5.598 -8.216 4.489 1.00 45.33 H new ATOM 0 HG3 ARG A 18 6.203 -7.599 2.964 1.00 45.33 H new ATOM 0 HD2 ARG A 18 8.109 -6.530 4.176 1.00 62.42 H new ATOM 0 HD3 ARG A 18 7.514 -7.205 5.679 1.00 62.42 H new ATOM 0 HE ARG A 18 9.195 -8.537 3.852 1.00 2.13 H new ATOM 0 HH11 ARG A 18 6.078 -9.256 5.415 1.00 32.34 H new ATOM 0 HH12 ARG A 18 6.407 -10.990 5.492 1.00 32.34 H new ATOM 0 HH21 ARG A 18 9.568 -10.756 3.977 1.00 65.22 H new ATOM 0 HH22 ARG A 18 8.357 -11.826 4.688 1.00 65.22 H new ATOM 237 N ALA A 19 3.096 -4.487 2.776 1.00 53.44 N ATOM 238 CA ALA A 19 2.400 -3.244 2.495 1.00 24.24 C ATOM 239 C ALA A 19 0.912 -3.398 2.778 1.00 44.44 C ATOM 240 O ALA A 19 0.283 -2.519 3.368 1.00 34.34 O ATOM 241 CB ALA A 19 2.633 -2.823 1.053 1.00 21.33 C ATOM 0 H ALA A 19 3.484 -4.952 1.955 1.00 53.44 H new ATOM 0 HA ALA A 19 2.795 -2.465 3.147 1.00 24.24 H new ATOM 0 HB1 ALA A 19 2.105 -1.890 0.857 1.00 21.33 H new ATOM 0 HB2 ALA A 19 3.700 -2.679 0.884 1.00 21.33 H new ATOM 0 HB3 ALA A 19 2.261 -3.598 0.383 1.00 21.33 H new ATOM 247 N ARG A 20 0.369 -4.535 2.374 1.00 1.45 N ATOM 248 CA ARG A 20 -1.033 -4.853 2.599 1.00 34.14 C ATOM 249 C ARG A 20 -1.338 -4.932 4.096 1.00 45.55 C ATOM 250 O ARG A 20 -2.320 -4.361 4.576 1.00 33.41 O ATOM 251 CB ARG A 20 -1.361 -6.183 1.916 1.00 3.42 C ATOM 252 CG ARG A 20 -2.785 -6.662 2.119 1.00 40.12 C ATOM 253 CD ARG A 20 -2.981 -8.033 1.496 1.00 73.33 C ATOM 254 NE ARG A 20 -4.296 -8.599 1.786 1.00 72.45 N ATOM 255 CZ ARG A 20 -4.506 -9.899 2.003 1.00 44.24 C ATOM 256 NH1 ARG A 20 -3.485 -10.750 2.001 1.00 30.53 N ATOM 257 NH2 ARG A 20 -5.731 -10.349 2.231 1.00 30.54 N ATOM 0 H ARG A 20 0.886 -5.263 1.881 1.00 1.45 H new ATOM 0 HA ARG A 20 -1.652 -4.063 2.174 1.00 34.14 H new ATOM 0 HB2 ARG A 20 -1.174 -6.083 0.847 1.00 3.42 H new ATOM 0 HB3 ARG A 20 -0.678 -6.946 2.289 1.00 3.42 H new ATOM 0 HG2 ARG A 20 -3.012 -6.705 3.184 1.00 40.12 H new ATOM 0 HG3 ARG A 20 -3.481 -5.951 1.673 1.00 40.12 H new ATOM 0 HD2 ARG A 20 -2.851 -7.959 0.416 1.00 73.33 H new ATOM 0 HD3 ARG A 20 -2.209 -8.709 1.864 1.00 73.33 H new ATOM 0 HE ARG A 20 -5.096 -7.967 1.825 1.00 72.45 H new ATOM 0 HH11 ARG A 20 -2.538 -10.410 1.833 1.00 30.53 H new ATOM 0 HH12 ARG A 20 -3.648 -11.743 2.167 1.00 30.53 H new ATOM 0 HH21 ARG A 20 -6.519 -9.701 2.241 1.00 30.54 H new ATOM 0 HH22 ARG A 20 -5.886 -11.343 2.396 1.00 30.54 H new ATOM 271 N ALA A 21 -0.476 -5.625 4.831 1.00 23.54 N ATOM 272 CA ALA A 21 -0.663 -5.817 6.264 1.00 42.45 C ATOM 273 C ALA A 21 -0.471 -4.513 7.036 1.00 64.42 C ATOM 274 O ALA A 21 -0.953 -4.373 8.160 1.00 72.33 O ATOM 275 CB ALA A 21 0.291 -6.881 6.781 1.00 12.35 C ATOM 0 H ALA A 21 0.364 -6.065 4.455 1.00 23.54 H new ATOM 0 HA ALA A 21 -1.689 -6.149 6.424 1.00 42.45 H new ATOM 0 HB1 ALA A 21 0.141 -7.015 7.852 1.00 12.35 H new ATOM 0 HB2 ALA A 21 0.098 -7.823 6.267 1.00 12.35 H new ATOM 0 HB3 ALA A 21 1.319 -6.570 6.595 1.00 12.35 H new ATOM 281 N ALA A 22 0.238 -3.566 6.439 1.00 65.50 N ATOM 282 CA ALA A 22 0.480 -2.280 7.080 1.00 64.40 C ATOM 283 C ALA A 22 -0.661 -1.304 6.814 1.00 65.32 C ATOM 284 O ALA A 22 -1.084 -0.565 7.707 1.00 25.24 O ATOM 285 CB ALA A 22 1.799 -1.692 6.606 1.00 12.43 C ATOM 0 H ALA A 22 0.655 -3.663 5.513 1.00 65.50 H new ATOM 0 HA ALA A 22 0.534 -2.448 8.156 1.00 64.40 H new ATOM 0 HB1 ALA A 22 1.965 -0.732 7.094 1.00 12.43 H new ATOM 0 HB2 ALA A 22 2.612 -2.373 6.858 1.00 12.43 H new ATOM 0 HB3 ALA A 22 1.767 -1.550 5.526 1.00 12.43 H new ATOM 291 N ALA A 23 -1.169 -1.319 5.589 1.00 64.03 N ATOM 292 CA ALA A 23 -2.173 -0.357 5.157 1.00 52.54 C ATOM 293 C ALA A 23 -3.523 -0.580 5.833 1.00 22.31 C ATOM 294 O ALA A 23 -4.333 0.343 5.921 1.00 62.44 O ATOM 295 CB ALA A 23 -2.324 -0.414 3.649 1.00 41.52 C ATOM 0 H ALA A 23 -0.899 -1.993 4.872 1.00 64.03 H new ATOM 0 HA ALA A 23 -1.828 0.633 5.456 1.00 52.54 H new ATOM 0 HB1 ALA A 23 -3.076 0.308 3.331 1.00 41.52 H new ATOM 0 HB2 ALA A 23 -1.370 -0.175 3.179 1.00 41.52 H new ATOM 0 HB3 ALA A 23 -2.634 -1.416 3.352 1.00 41.52 H new ATOM 301 N VAL A 24 -3.767 -1.794 6.319 1.00 55.55 N ATOM 302 CA VAL A 24 -5.041 -2.111 6.964 1.00 11.24 C ATOM 303 C VAL A 24 -5.240 -1.275 8.238 1.00 40.44 C ATOM 304 O VAL A 24 -6.369 -1.038 8.667 1.00 2.22 O ATOM 305 CB VAL A 24 -5.158 -3.624 7.283 1.00 64.33 C ATOM 306 CG1 VAL A 24 -4.122 -4.057 8.307 1.00 71.04 C ATOM 307 CG2 VAL A 24 -6.564 -3.974 7.745 1.00 41.31 C ATOM 0 H VAL A 24 -3.106 -2.570 6.280 1.00 55.55 H new ATOM 0 HA VAL A 24 -5.832 -1.856 6.259 1.00 11.24 H new ATOM 0 HB VAL A 24 -4.959 -4.173 6.363 1.00 64.33 H new ATOM 0 HG11 VAL A 24 -4.232 -5.123 8.508 1.00 71.04 H new ATOM 0 HG12 VAL A 24 -3.123 -3.862 7.918 1.00 71.04 H new ATOM 0 HG13 VAL A 24 -4.267 -3.497 9.231 1.00 71.04 H new ATOM 0 HG21 VAL A 24 -6.621 -5.041 7.963 1.00 41.31 H new ATOM 0 HG22 VAL A 24 -6.803 -3.407 8.645 1.00 41.31 H new ATOM 0 HG23 VAL A 24 -7.278 -3.726 6.959 1.00 41.31 H new ATOM 317 N GLN A 25 -4.140 -0.796 8.817 1.00 71.32 N ATOM 318 CA GLN A 25 -4.210 0.054 10.003 1.00 2.31 C ATOM 319 C GLN A 25 -4.595 1.486 9.635 1.00 45.55 C ATOM 320 O GLN A 25 -5.006 2.266 10.494 1.00 34.14 O ATOM 321 CB GLN A 25 -2.879 0.066 10.766 1.00 44.03 C ATOM 322 CG GLN A 25 -2.682 -1.119 11.702 1.00 42.22 C ATOM 323 CD GLN A 25 -2.351 -2.413 10.984 1.00 42.45 C ATOM 324 OE1 GLN A 25 -2.719 -3.498 11.436 1.00 45.34 O ATOM 325 NE2 GLN A 25 -1.629 -2.314 9.878 1.00 21.24 N ATOM 0 H GLN A 25 -3.193 -0.981 8.485 1.00 71.32 H new ATOM 0 HA GLN A 25 -4.981 -0.368 10.648 1.00 2.31 H new ATOM 0 HB2 GLN A 25 -2.061 0.085 10.046 1.00 44.03 H new ATOM 0 HB3 GLN A 25 -2.814 0.987 11.346 1.00 44.03 H new ATOM 0 HG2 GLN A 25 -1.880 -0.888 12.404 1.00 42.22 H new ATOM 0 HG3 GLN A 25 -3.589 -1.261 12.290 1.00 42.22 H new ATOM 0 HE21 GLN A 25 -1.344 -1.397 9.536 1.00 21.24 H new ATOM 0 HE22 GLN A 25 -1.358 -3.155 9.369 1.00 21.24 H new ATOM 334 N ALA A 26 -4.473 1.824 8.358 1.00 43.24 N ATOM 335 CA ALA A 26 -4.753 3.179 7.896 1.00 33.35 C ATOM 336 C ALA A 26 -6.175 3.299 7.362 1.00 30.23 C ATOM 337 O ALA A 26 -6.688 4.401 7.171 1.00 41.00 O ATOM 338 CB ALA A 26 -3.751 3.588 6.825 1.00 10.23 C ATOM 0 H ALA A 26 -4.182 1.179 7.623 1.00 43.24 H new ATOM 0 HA ALA A 26 -4.657 3.851 8.748 1.00 33.35 H new ATOM 0 HB1 ALA A 26 -3.971 4.601 6.489 1.00 10.23 H new ATOM 0 HB2 ALA A 26 -2.743 3.554 7.238 1.00 10.23 H new ATOM 0 HB3 ALA A 26 -3.821 2.902 5.981 1.00 10.23 H new ATOM 344 N VAL A 27 -6.814 2.161 7.119 1.00 4.02 N ATOM 345 CA VAL A 27 -8.171 2.156 6.591 1.00 32.33 C ATOM 346 C VAL A 27 -9.147 1.530 7.592 1.00 72.53 C ATOM 347 O VAL A 27 -8.972 0.389 8.021 1.00 73.31 O ATOM 348 CB VAL A 27 -8.247 1.431 5.222 1.00 63.44 C ATOM 349 CG1 VAL A 27 -7.771 -0.012 5.324 1.00 11.42 C ATOM 350 CG2 VAL A 27 -9.654 1.490 4.651 1.00 12.24 C ATOM 0 H VAL A 27 -6.416 1.235 7.278 1.00 4.02 H new ATOM 0 HA VAL A 27 -8.463 3.194 6.432 1.00 32.33 H new ATOM 0 HB VAL A 27 -7.577 1.955 4.541 1.00 63.44 H new ATOM 0 HG11 VAL A 27 -7.839 -0.488 4.346 1.00 11.42 H new ATOM 0 HG12 VAL A 27 -6.736 -0.030 5.666 1.00 11.42 H new ATOM 0 HG13 VAL A 27 -8.397 -0.552 6.034 1.00 11.42 H new ATOM 0 HG21 VAL A 27 -9.679 0.974 3.691 1.00 12.24 H new ATOM 0 HG22 VAL A 27 -10.347 1.008 5.340 1.00 12.24 H new ATOM 0 HG23 VAL A 27 -9.947 2.531 4.511 1.00 12.24 H new ATOM 360 N PRO A 28 -10.179 2.286 7.995 1.00 74.11 N ATOM 361 CA PRO A 28 -11.166 1.827 8.969 1.00 74.23 C ATOM 362 C PRO A 28 -12.142 0.823 8.371 1.00 15.45 C ATOM 363 O PRO A 28 -13.078 1.204 7.658 1.00 71.24 O ATOM 364 CB PRO A 28 -11.910 3.105 9.387 1.00 34.14 C ATOM 365 CG PRO A 28 -11.207 4.236 8.708 1.00 74.12 C ATOM 366 CD PRO A 28 -10.471 3.646 7.541 1.00 60.31 C ATOM 0 HA PRO A 28 -10.690 1.312 9.803 1.00 74.23 H new ATOM 0 HB2 PRO A 28 -12.957 3.062 9.088 1.00 34.14 H new ATOM 0 HB3 PRO A 28 -11.893 3.229 10.470 1.00 34.14 H new ATOM 0 HG2 PRO A 28 -11.919 4.991 8.375 1.00 74.12 H new ATOM 0 HG3 PRO A 28 -10.516 4.729 9.392 1.00 74.12 H new ATOM 0 HD2 PRO A 28 -11.079 3.648 6.636 1.00 60.31 H new ATOM 0 HD3 PRO A 28 -9.561 4.201 7.315 1.00 60.31 H new ATOM 374 N GLY A 29 -11.905 -0.455 8.652 1.00 11.30 N ATOM 375 CA GLY A 29 -12.773 -1.511 8.167 1.00 72.13 C ATOM 376 C GLY A 29 -12.869 -1.534 6.657 1.00 64.13 C ATOM 377 O GLY A 29 -13.939 -1.788 6.098 1.00 1.20 O ATOM 0 H GLY A 29 -11.118 -0.779 9.214 1.00 11.30 H new ATOM 0 HA2 GLY A 29 -12.401 -2.473 8.519 1.00 72.13 H new ATOM 0 HA3 GLY A 29 -13.769 -1.381 8.589 1.00 72.13 H new ATOM 381 N GLY A 30 -11.755 -1.272 5.995 1.00 15.03 N ATOM 382 CA GLY A 30 -11.750 -1.218 4.551 1.00 1.11 C ATOM 383 C GLY A 30 -11.159 -2.464 3.926 1.00 3.10 C ATOM 384 O GLY A 30 -10.887 -3.445 4.618 1.00 0.31 O ATOM 0 H GLY A 30 -10.851 -1.095 6.434 1.00 15.03 H new ATOM 0 HA2 GLY A 30 -12.771 -1.085 4.192 1.00 1.11 H new ATOM 0 HA3 GLY A 30 -11.181 -0.347 4.225 1.00 1.11 H new ATOM 388 N THR A 31 -10.971 -2.423 2.619 1.00 4.31 N ATOM 389 CA THR A 31 -10.411 -3.546 1.888 1.00 60.25 C ATOM 390 C THR A 31 -8.921 -3.331 1.633 1.00 22.35 C ATOM 391 O THR A 31 -8.529 -2.391 0.933 1.00 31.24 O ATOM 392 CB THR A 31 -11.136 -3.736 0.543 1.00 14.42 C ATOM 393 OG1 THR A 31 -12.555 -3.715 0.753 1.00 43.33 O ATOM 394 CG2 THR A 31 -10.727 -5.046 -0.121 1.00 13.23 C ATOM 0 H THR A 31 -11.200 -1.617 2.038 1.00 4.31 H new ATOM 0 HA THR A 31 -10.546 -4.441 2.496 1.00 60.25 H new ATOM 0 HB THR A 31 -10.853 -2.918 -0.120 1.00 14.42 H new ATOM 0 HG1 THR A 31 -13.014 -3.834 -0.104 1.00 43.33 H new ATOM 0 HG21 THR A 31 -11.254 -5.154 -1.069 1.00 13.23 H new ATOM 0 HG22 THR A 31 -9.652 -5.042 -0.302 1.00 13.23 H new ATOM 0 HG23 THR A 31 -10.982 -5.880 0.533 1.00 13.23 H new ATOM 402 N ALA A 32 -8.102 -4.190 2.225 1.00 53.13 N ATOM 403 CA ALA A 32 -6.661 -4.145 2.027 1.00 52.42 C ATOM 404 C ALA A 32 -6.234 -5.227 1.045 1.00 32.34 C ATOM 405 O ALA A 32 -6.203 -6.415 1.381 1.00 54.53 O ATOM 406 CB ALA A 32 -5.935 -4.301 3.357 1.00 15.02 C ATOM 0 H ALA A 32 -8.415 -4.932 2.851 1.00 53.13 H new ATOM 0 HA ALA A 32 -6.393 -3.175 1.609 1.00 52.42 H new ATOM 0 HB1 ALA A 32 -4.858 -4.265 3.190 1.00 15.02 H new ATOM 0 HB2 ALA A 32 -6.226 -3.492 4.027 1.00 15.02 H new ATOM 0 HB3 ALA A 32 -6.201 -5.258 3.807 1.00 15.02 H new ATOM 412 N GLY A 33 -5.922 -4.811 -0.171 1.00 23.32 N ATOM 413 CA GLY A 33 -5.590 -5.754 -1.218 1.00 20.23 C ATOM 414 C GLY A 33 -4.100 -5.862 -1.446 1.00 31.20 C ATOM 415 O GLY A 33 -3.342 -4.990 -1.021 1.00 43.31 O ATOM 0 H GLY A 33 -5.892 -3.831 -0.454 1.00 23.32 H new ATOM 0 HA2 GLY A 33 -5.987 -6.735 -0.958 1.00 20.23 H new ATOM 0 HA3 GLY A 33 -6.075 -5.449 -2.145 1.00 20.23 H new ATOM 419 N GLU A 34 -3.674 -6.936 -2.100 1.00 44.51 N ATOM 420 CA GLU A 34 -2.263 -7.125 -2.414 1.00 2.34 C ATOM 421 C GLU A 34 -1.816 -6.128 -3.479 1.00 75.03 C ATOM 422 O GLU A 34 -2.555 -5.827 -4.418 1.00 22.15 O ATOM 423 CB GLU A 34 -1.994 -8.562 -2.869 1.00 64.13 C ATOM 424 CG GLU A 34 -2.910 -9.042 -3.981 1.00 74.41 C ATOM 425 CD GLU A 34 -2.585 -10.452 -4.424 1.00 23.33 C ATOM 426 OE1 GLU A 34 -2.888 -11.401 -3.673 1.00 11.12 O ATOM 427 OE2 GLU A 34 -2.014 -10.616 -5.522 1.00 13.35 O ATOM 0 H GLU A 34 -4.284 -7.688 -2.422 1.00 44.51 H new ATOM 0 HA GLU A 34 -1.683 -6.945 -1.509 1.00 2.34 H new ATOM 0 HB2 GLU A 34 -0.960 -8.637 -3.206 1.00 64.13 H new ATOM 0 HB3 GLU A 34 -2.099 -9.229 -2.013 1.00 64.13 H new ATOM 0 HG2 GLU A 34 -3.944 -9.000 -3.640 1.00 74.41 H new ATOM 0 HG3 GLU A 34 -2.827 -8.368 -4.833 1.00 74.41 H new ATOM 434 N VAL A 35 -0.604 -5.617 -3.322 1.00 42.42 N ATOM 435 CA VAL A 35 -0.105 -4.540 -4.167 1.00 5.34 C ATOM 436 C VAL A 35 1.235 -4.899 -4.793 1.00 45.32 C ATOM 437 O VAL A 35 1.960 -5.750 -4.279 1.00 44.41 O ATOM 438 CB VAL A 35 0.048 -3.228 -3.369 1.00 64.32 C ATOM 439 CG1 VAL A 35 -1.297 -2.771 -2.829 1.00 13.53 C ATOM 440 CG2 VAL A 35 1.048 -3.394 -2.234 1.00 0.35 C ATOM 0 H VAL A 35 0.057 -5.933 -2.612 1.00 42.42 H new ATOM 0 HA VAL A 35 -0.840 -4.396 -4.959 1.00 5.34 H new ATOM 0 HB VAL A 35 0.428 -2.464 -4.047 1.00 64.32 H new ATOM 0 HG11 VAL A 35 -1.169 -1.845 -2.269 1.00 13.53 H new ATOM 0 HG12 VAL A 35 -1.984 -2.602 -3.658 1.00 13.53 H new ATOM 0 HG13 VAL A 35 -1.705 -3.539 -2.171 1.00 13.53 H new ATOM 0 HG21 VAL A 35 1.137 -2.455 -1.688 1.00 0.35 H new ATOM 0 HG22 VAL A 35 0.704 -4.176 -1.557 1.00 0.35 H new ATOM 0 HG23 VAL A 35 2.020 -3.670 -2.643 1.00 0.35 H new ATOM 450 N GLU A 36 1.541 -4.265 -5.913 1.00 35.21 N ATOM 451 CA GLU A 36 2.817 -4.462 -6.578 1.00 14.13 C ATOM 452 C GLU A 36 3.716 -3.248 -6.356 1.00 11.41 C ATOM 453 O GLU A 36 3.231 -2.143 -6.100 1.00 30.01 O ATOM 454 CB GLU A 36 2.621 -4.698 -8.082 1.00 20.21 C ATOM 455 CG GLU A 36 1.841 -3.593 -8.780 1.00 12.42 C ATOM 456 CD GLU A 36 1.920 -3.681 -10.292 1.00 64.32 C ATOM 457 OE1 GLU A 36 1.188 -4.502 -10.892 1.00 41.41 O ATOM 458 OE2 GLU A 36 2.714 -2.929 -10.893 1.00 53.41 O ATOM 0 H GLU A 36 0.919 -3.606 -6.382 1.00 35.21 H new ATOM 0 HA GLU A 36 3.291 -5.345 -6.150 1.00 14.13 H new ATOM 0 HB2 GLU A 36 3.598 -4.795 -8.555 1.00 20.21 H new ATOM 0 HB3 GLU A 36 2.101 -5.645 -8.227 1.00 20.21 H new ATOM 0 HG2 GLU A 36 0.797 -3.642 -8.472 1.00 12.42 H new ATOM 0 HG3 GLU A 36 2.224 -2.625 -8.457 1.00 12.42 H new ATOM 465 N THR A 37 5.018 -3.458 -6.453 1.00 1.24 N ATOM 466 CA THR A 37 5.984 -2.389 -6.261 1.00 74.13 C ATOM 467 C THR A 37 5.990 -1.454 -7.465 1.00 3.53 C ATOM 468 O THR A 37 6.181 -1.898 -8.600 1.00 75.40 O ATOM 469 CB THR A 37 7.397 -2.970 -6.072 1.00 20.23 C ATOM 470 OG1 THR A 37 7.304 -4.380 -5.814 1.00 50.11 O ATOM 471 CG2 THR A 37 8.121 -2.281 -4.924 1.00 43.14 C ATOM 0 H THR A 37 5.433 -4.365 -6.665 1.00 1.24 H new ATOM 0 HA THR A 37 5.697 -1.832 -5.369 1.00 74.13 H new ATOM 0 HB THR A 37 7.968 -2.799 -6.985 1.00 20.23 H new ATOM 0 HG1 THR A 37 6.556 -4.552 -5.205 1.00 50.11 H new ATOM 0 HG21 THR A 37 9.117 -2.710 -4.812 1.00 43.14 H new ATOM 0 HG22 THR A 37 8.207 -1.215 -5.136 1.00 43.14 H new ATOM 0 HG23 THR A 37 7.558 -2.424 -4.001 1.00 43.14 H new ATOM 479 N GLU A 38 5.769 -0.171 -7.221 1.00 44.25 N ATOM 480 CA GLU A 38 5.754 0.809 -8.294 1.00 75.04 C ATOM 481 C GLU A 38 7.167 1.056 -8.801 1.00 0.20 C ATOM 482 O GLU A 38 8.057 1.427 -8.036 1.00 62.34 O ATOM 483 CB GLU A 38 5.140 2.128 -7.828 1.00 4.23 C ATOM 484 CG GLU A 38 3.709 2.009 -7.329 1.00 35.12 C ATOM 485 CD GLU A 38 3.119 3.358 -6.977 1.00 64.23 C ATOM 486 OE1 GLU A 38 3.601 3.984 -6.017 1.00 34.13 O ATOM 487 OE2 GLU A 38 2.188 3.813 -7.678 1.00 74.54 O ATOM 0 H GLU A 38 5.598 0.214 -6.292 1.00 44.25 H new ATOM 0 HA GLU A 38 5.142 0.409 -9.103 1.00 75.04 H new ATOM 0 HB2 GLU A 38 5.758 2.541 -7.030 1.00 4.23 H new ATOM 0 HB3 GLU A 38 5.167 2.840 -8.653 1.00 4.23 H new ATOM 0 HG2 GLU A 38 3.096 1.534 -8.095 1.00 35.12 H new ATOM 0 HG3 GLU A 38 3.683 1.362 -6.452 1.00 35.12 H new ATOM 494 N THR A 39 7.372 0.833 -10.085 1.00 1.24 N ATOM 495 CA THR A 39 8.665 1.075 -10.690 1.00 72.34 C ATOM 496 C THR A 39 8.863 2.569 -10.922 1.00 51.15 C ATOM 497 O THR A 39 7.990 3.247 -11.468 1.00 4.04 O ATOM 498 CB THR A 39 8.830 0.295 -12.015 1.00 72.15 C ATOM 499 OG1 THR A 39 10.110 0.570 -12.590 1.00 70.31 O ATOM 500 CG2 THR A 39 7.736 0.644 -13.015 1.00 42.54 C ATOM 0 H THR A 39 6.660 0.485 -10.727 1.00 1.24 H new ATOM 0 HA THR A 39 9.430 0.716 -10.001 1.00 72.34 H new ATOM 0 HB THR A 39 8.750 -0.767 -11.783 1.00 72.15 H new ATOM 0 HG1 THR A 39 10.206 0.071 -13.428 1.00 70.31 H new ATOM 0 HG21 THR A 39 7.887 0.076 -13.933 1.00 42.54 H new ATOM 0 HG22 THR A 39 6.763 0.397 -12.591 1.00 42.54 H new ATOM 0 HG23 THR A 39 7.774 1.710 -13.238 1.00 42.54 H new ATOM 508 N GLY A 40 9.992 3.088 -10.473 1.00 3.51 N ATOM 509 CA GLY A 40 10.269 4.496 -10.632 1.00 72.44 C ATOM 510 C GLY A 40 11.608 4.884 -10.050 1.00 41.24 C ATOM 511 O GLY A 40 12.531 4.068 -10.005 1.00 51.15 O ATOM 0 H GLY A 40 10.723 2.557 -10.000 1.00 3.51 H new ATOM 0 HA2 GLY A 40 10.248 4.751 -11.691 1.00 72.44 H new ATOM 0 HA3 GLY A 40 9.483 5.076 -10.149 1.00 72.44 H new ATOM 515 N GLU A 41 11.712 6.124 -9.605 1.00 41.31 N ATOM 516 CA GLU A 41 12.945 6.635 -9.034 1.00 1.40 C ATOM 517 C GLU A 41 12.611 7.720 -8.020 1.00 33.11 C ATOM 518 O GLU A 41 11.800 8.606 -8.293 1.00 14.45 O ATOM 519 CB GLU A 41 13.845 7.184 -10.153 1.00 5.33 C ATOM 520 CG GLU A 41 15.315 7.339 -9.775 1.00 21.33 C ATOM 521 CD GLU A 41 15.569 8.453 -8.783 1.00 21.32 C ATOM 522 OE1 GLU A 41 15.338 9.629 -9.134 1.00 0.03 O ATOM 523 OE2 GLU A 41 16.016 8.162 -7.655 1.00 31.14 O ATOM 0 H GLU A 41 10.949 6.801 -9.629 1.00 41.31 H new ATOM 0 HA GLU A 41 13.484 5.835 -8.527 1.00 1.40 H new ATOM 0 HB2 GLU A 41 13.774 6.521 -11.015 1.00 5.33 H new ATOM 0 HB3 GLU A 41 13.461 8.155 -10.466 1.00 5.33 H new ATOM 0 HG2 GLU A 41 15.675 6.400 -9.355 1.00 21.33 H new ATOM 0 HG3 GLU A 41 15.896 7.528 -10.678 1.00 21.33 H new ATOM 530 N GLY A 42 13.215 7.641 -6.848 1.00 43.45 N ATOM 531 CA GLY A 42 13.003 8.655 -5.841 1.00 35.31 C ATOM 532 C GLY A 42 12.500 8.075 -4.542 1.00 3.11 C ATOM 533 O GLY A 42 13.009 7.056 -4.073 1.00 63.44 O ATOM 0 H GLY A 42 13.850 6.891 -6.575 1.00 43.45 H new ATOM 0 HA2 GLY A 42 13.937 9.187 -5.661 1.00 35.31 H new ATOM 0 HA3 GLY A 42 12.286 9.387 -6.211 1.00 35.31 H new ATOM 537 N ALA A 43 11.499 8.716 -3.964 1.00 74.44 N ATOM 538 CA ALA A 43 10.937 8.268 -2.704 1.00 23.51 C ATOM 539 C ALA A 43 9.835 7.241 -2.939 1.00 23.45 C ATOM 540 O ALA A 43 9.634 6.340 -2.128 1.00 14.24 O ATOM 541 CB ALA A 43 10.410 9.454 -1.909 1.00 4.41 C ATOM 0 H ALA A 43 11.058 9.551 -4.350 1.00 74.44 H new ATOM 0 HA ALA A 43 11.726 7.788 -2.125 1.00 23.51 H new ATOM 0 HB1 ALA A 43 9.991 9.103 -0.966 1.00 4.41 H new ATOM 0 HB2 ALA A 43 11.226 10.148 -1.708 1.00 4.41 H new ATOM 0 HB3 ALA A 43 9.635 9.962 -2.483 1.00 4.41 H new ATOM 547 N ALA A 44 9.138 7.368 -4.064 1.00 24.20 N ATOM 548 CA ALA A 44 8.019 6.486 -4.369 1.00 51.13 C ATOM 549 C ALA A 44 8.506 5.087 -4.729 1.00 13.23 C ATOM 550 O ALA A 44 9.010 4.852 -5.829 1.00 62.34 O ATOM 551 CB ALA A 44 7.170 7.068 -5.488 1.00 12.54 C ATOM 0 H ALA A 44 9.328 8.072 -4.777 1.00 24.20 H new ATOM 0 HA ALA A 44 7.400 6.404 -3.476 1.00 51.13 H new ATOM 0 HB1 ALA A 44 6.339 6.395 -5.702 1.00 12.54 H new ATOM 0 HB2 ALA A 44 6.781 8.039 -5.182 1.00 12.54 H new ATOM 0 HB3 ALA A 44 7.780 7.187 -6.383 1.00 12.54 H new ATOM 557 N ALA A 45 8.381 4.169 -3.780 1.00 50.12 N ATOM 558 CA ALA A 45 8.794 2.790 -3.993 1.00 12.24 C ATOM 559 C ALA A 45 7.607 1.842 -3.896 1.00 54.40 C ATOM 560 O ALA A 45 7.458 0.931 -4.710 1.00 44.41 O ATOM 561 CB ALA A 45 9.872 2.394 -2.991 1.00 42.33 C ATOM 0 H ALA A 45 7.996 4.356 -2.854 1.00 50.12 H new ATOM 0 HA ALA A 45 9.207 2.715 -4.999 1.00 12.24 H new ATOM 0 HB1 ALA A 45 10.169 1.360 -3.165 1.00 42.33 H new ATOM 0 HB2 ALA A 45 10.738 3.045 -3.112 1.00 42.33 H new ATOM 0 HB3 ALA A 45 9.482 2.494 -1.978 1.00 42.33 H new ATOM 567 N TYR A 46 6.749 2.065 -2.907 1.00 73.30 N ATOM 568 CA TYR A 46 5.611 1.183 -2.686 1.00 22.03 C ATOM 569 C TYR A 46 4.311 1.930 -2.935 1.00 63.13 C ATOM 570 O TYR A 46 4.131 3.050 -2.462 1.00 41.25 O ATOM 571 CB TYR A 46 5.603 0.639 -1.251 1.00 53.41 C ATOM 572 CG TYR A 46 6.912 0.038 -0.790 1.00 61.52 C ATOM 573 CD1 TYR A 46 7.301 -1.237 -1.185 1.00 14.50 C ATOM 574 CD2 TYR A 46 7.751 0.743 0.061 1.00 24.11 C ATOM 575 CE1 TYR A 46 8.491 -1.788 -0.742 1.00 61.20 C ATOM 576 CE2 TYR A 46 8.940 0.201 0.504 1.00 0.32 C ATOM 577 CZ TYR A 46 9.306 -1.061 0.101 1.00 32.41 C ATOM 578 OH TYR A 46 10.486 -1.603 0.557 1.00 34.10 O ATOM 0 H TYR A 46 6.819 2.843 -2.251 1.00 73.30 H new ATOM 0 HA TYR A 46 5.700 0.349 -3.382 1.00 22.03 H new ATOM 0 HB2 TYR A 46 5.333 1.448 -0.573 1.00 53.41 H new ATOM 0 HB3 TYR A 46 4.824 -0.119 -1.170 1.00 53.41 H new ATOM 0 HD1 TYR A 46 6.665 -1.806 -1.847 1.00 14.50 H new ATOM 0 HD2 TYR A 46 7.468 1.734 0.383 1.00 24.11 H new ATOM 0 HE1 TYR A 46 8.780 -2.781 -1.054 1.00 61.20 H new ATOM 0 HE2 TYR A 46 9.581 0.766 1.165 1.00 0.32 H new ATOM 0 HH TYR A 46 10.939 -0.958 1.140 1.00 34.10 H new ATOM 588 N GLY A 47 3.411 1.303 -3.676 1.00 54.11 N ATOM 589 CA GLY A 47 2.092 1.863 -3.872 1.00 12.11 C ATOM 590 C GLY A 47 1.028 0.926 -3.355 1.00 53.23 C ATOM 591 O GLY A 47 0.832 -0.157 -3.902 1.00 75.11 O ATOM 0 H GLY A 47 3.572 0.413 -4.147 1.00 54.11 H new ATOM 0 HA2 GLY A 47 2.019 2.822 -3.358 1.00 12.11 H new ATOM 0 HA3 GLY A 47 1.928 2.056 -4.932 1.00 12.11 H new ATOM 595 N VAL A 48 0.343 1.337 -2.301 1.00 40.12 N ATOM 596 CA VAL A 48 -0.622 0.473 -1.640 1.00 42.02 C ATOM 597 C VAL A 48 -2.037 0.971 -1.877 1.00 21.34 C ATOM 598 O VAL A 48 -2.295 2.171 -1.848 1.00 21.10 O ATOM 599 CB VAL A 48 -0.365 0.390 -0.122 1.00 11.12 C ATOM 600 CG1 VAL A 48 -1.153 -0.764 0.489 1.00 40.14 C ATOM 601 CG2 VAL A 48 1.123 0.240 0.161 1.00 3.41 C ATOM 0 H VAL A 48 0.437 2.263 -1.884 1.00 40.12 H new ATOM 0 HA VAL A 48 -0.506 -0.522 -2.069 1.00 42.02 H new ATOM 0 HB VAL A 48 -0.706 1.317 0.339 1.00 11.12 H new ATOM 0 HG11 VAL A 48 -0.960 -0.809 1.561 1.00 40.14 H new ATOM 0 HG12 VAL A 48 -2.218 -0.608 0.318 1.00 40.14 H new ATOM 0 HG13 VAL A 48 -0.844 -1.701 0.026 1.00 40.14 H new ATOM 0 HG21 VAL A 48 1.285 0.183 1.237 1.00 3.41 H new ATOM 0 HG22 VAL A 48 1.493 -0.671 -0.310 1.00 3.41 H new ATOM 0 HG23 VAL A 48 1.658 1.100 -0.241 1.00 3.41 H new ATOM 611 N LEU A 49 -2.949 0.047 -2.109 1.00 33.22 N ATOM 612 CA LEU A 49 -4.337 0.393 -2.355 1.00 62.35 C ATOM 613 C LEU A 49 -5.199 0.078 -1.135 1.00 52.13 C ATOM 614 O LEU A 49 -5.168 -1.032 -0.603 1.00 12.33 O ATOM 615 CB LEU A 49 -4.849 -0.340 -3.606 1.00 40.02 C ATOM 616 CG LEU A 49 -4.613 -1.856 -3.633 1.00 73.45 C ATOM 617 CD1 LEU A 49 -5.808 -2.612 -3.071 1.00 2.55 C ATOM 618 CD2 LEU A 49 -4.298 -2.322 -5.045 1.00 32.33 C ATOM 0 H LEU A 49 -2.753 -0.954 -2.132 1.00 33.22 H new ATOM 0 HA LEU A 49 -4.405 1.466 -2.536 1.00 62.35 H new ATOM 0 HB2 LEU A 49 -5.919 -0.156 -3.700 1.00 40.02 H new ATOM 0 HB3 LEU A 49 -4.372 0.099 -4.482 1.00 40.02 H new ATOM 0 HG LEU A 49 -3.755 -2.072 -2.997 1.00 73.45 H new ATOM 0 HD11 LEU A 49 -5.609 -3.683 -3.104 1.00 2.55 H new ATOM 0 HD12 LEU A 49 -5.979 -2.306 -2.039 1.00 2.55 H new ATOM 0 HD13 LEU A 49 -6.693 -2.389 -3.667 1.00 2.55 H new ATOM 0 HD21 LEU A 49 -4.134 -3.400 -5.044 1.00 32.33 H new ATOM 0 HD22 LEU A 49 -5.134 -2.083 -5.702 1.00 32.33 H new ATOM 0 HD23 LEU A 49 -3.400 -1.818 -5.403 1.00 32.33 H new ATOM 630 N VAL A 50 -5.945 1.071 -0.675 1.00 12.23 N ATOM 631 CA VAL A 50 -6.869 0.884 0.437 1.00 51.33 C ATOM 632 C VAL A 50 -8.253 1.404 0.082 1.00 14.01 C ATOM 633 O VAL A 50 -8.431 2.584 -0.230 1.00 74.42 O ATOM 634 CB VAL A 50 -6.375 1.562 1.736 1.00 55.34 C ATOM 635 CG1 VAL A 50 -5.338 0.696 2.426 1.00 1.43 C ATOM 636 CG2 VAL A 50 -5.795 2.936 1.444 1.00 62.21 C ATOM 0 H VAL A 50 -5.929 2.018 -1.055 1.00 12.23 H new ATOM 0 HA VAL A 50 -6.920 -0.189 0.621 1.00 51.33 H new ATOM 0 HB VAL A 50 -7.232 1.683 2.399 1.00 55.34 H new ATOM 0 HG11 VAL A 50 -5.001 1.189 3.338 1.00 1.43 H new ATOM 0 HG12 VAL A 50 -5.778 -0.269 2.676 1.00 1.43 H new ATOM 0 HG13 VAL A 50 -4.488 0.546 1.760 1.00 1.43 H new ATOM 0 HG21 VAL A 50 -5.455 3.392 2.374 1.00 62.21 H new ATOM 0 HG22 VAL A 50 -4.953 2.837 0.759 1.00 62.21 H new ATOM 0 HG23 VAL A 50 -6.561 3.565 0.990 1.00 62.21 H new ATOM 646 N THR A 51 -9.230 0.516 0.124 1.00 12.34 N ATOM 647 CA THR A 51 -10.584 0.861 -0.258 1.00 42.44 C ATOM 648 C THR A 51 -11.461 1.058 0.973 1.00 55.42 C ATOM 649 O THR A 51 -11.524 0.191 1.841 1.00 51.14 O ATOM 650 CB THR A 51 -11.190 -0.243 -1.145 1.00 52.24 C ATOM 651 OG1 THR A 51 -10.233 -0.636 -2.138 1.00 52.55 O ATOM 652 CG2 THR A 51 -12.461 0.237 -1.826 1.00 31.32 C ATOM 0 H THR A 51 -9.108 -0.452 0.420 1.00 12.34 H new ATOM 0 HA THR A 51 -10.545 1.795 -0.819 1.00 42.44 H new ATOM 0 HB THR A 51 -11.442 -1.094 -0.512 1.00 52.24 H new ATOM 0 HG1 THR A 51 -10.028 -1.589 -2.035 1.00 52.55 H new ATOM 0 HG21 THR A 51 -12.866 -0.563 -2.445 1.00 31.32 H new ATOM 0 HG22 THR A 51 -13.195 0.518 -1.070 1.00 31.32 H new ATOM 0 HG23 THR A 51 -12.235 1.101 -2.451 1.00 31.32 H new ATOM 660 N ARG A 52 -12.118 2.207 1.051 1.00 15.15 N ATOM 661 CA ARG A 52 -13.089 2.459 2.106 1.00 72.13 C ATOM 662 C ARG A 52 -14.419 1.821 1.730 1.00 4.41 C ATOM 663 O ARG A 52 -14.715 1.676 0.543 1.00 64.31 O ATOM 664 CB ARG A 52 -13.283 3.964 2.337 1.00 3.43 C ATOM 665 CG ARG A 52 -12.397 4.561 3.421 1.00 41.30 C ATOM 666 CD ARG A 52 -10.929 4.585 3.030 1.00 70.23 C ATOM 667 NE ARG A 52 -10.116 5.226 4.065 1.00 22.54 N ATOM 668 CZ ARG A 52 -8.790 5.367 4.010 1.00 53.33 C ATOM 669 NH1 ARG A 52 -8.106 4.927 2.958 1.00 11.20 N ATOM 670 NH2 ARG A 52 -8.153 5.955 5.013 1.00 45.24 N ATOM 0 H ARG A 52 -11.996 2.979 0.396 1.00 15.15 H new ATOM 0 HA ARG A 52 -12.714 2.022 3.031 1.00 72.13 H new ATOM 0 HB2 ARG A 52 -13.092 4.489 1.401 1.00 3.43 H new ATOM 0 HB3 ARG A 52 -14.326 4.146 2.598 1.00 3.43 H new ATOM 0 HG2 ARG A 52 -12.728 5.577 3.637 1.00 41.30 H new ATOM 0 HG3 ARG A 52 -12.515 3.985 4.339 1.00 41.30 H new ATOM 0 HD2 ARG A 52 -10.577 3.567 2.866 1.00 70.23 H new ATOM 0 HD3 ARG A 52 -10.810 5.119 2.087 1.00 70.23 H new ATOM 0 HE ARG A 52 -10.597 5.591 4.887 1.00 22.54 H new ATOM 0 HH11 ARG A 52 -8.595 4.477 2.184 1.00 11.20 H new ATOM 0 HH12 ARG A 52 -7.093 5.039 2.925 1.00 11.20 H new ATOM 0 HH21 ARG A 52 -8.676 6.296 5.819 1.00 45.24 H new ATOM 0 HH22 ARG A 52 -7.140 6.066 4.978 1.00 45.24 H new ATOM 684 N PRO A 53 -15.238 1.437 2.727 1.00 70.52 N ATOM 685 CA PRO A 53 -16.540 0.794 2.487 1.00 44.02 C ATOM 686 C PRO A 53 -17.465 1.636 1.602 1.00 74.34 C ATOM 687 O PRO A 53 -18.376 1.109 0.962 1.00 70.45 O ATOM 688 CB PRO A 53 -17.133 0.642 3.891 1.00 22.10 C ATOM 689 CG PRO A 53 -15.959 0.666 4.808 1.00 24.12 C ATOM 690 CD PRO A 53 -14.958 1.583 4.168 1.00 25.22 C ATOM 0 HA PRO A 53 -16.427 -0.149 1.953 1.00 44.02 H new ATOM 0 HB2 PRO A 53 -17.827 1.452 4.116 1.00 22.10 H new ATOM 0 HB3 PRO A 53 -17.689 -0.290 3.986 1.00 22.10 H new ATOM 0 HG2 PRO A 53 -16.243 1.026 5.797 1.00 24.12 H new ATOM 0 HG3 PRO A 53 -15.545 -0.334 4.939 1.00 24.12 H new ATOM 0 HD2 PRO A 53 -15.086 2.613 4.500 1.00 25.22 H new ATOM 0 HD3 PRO A 53 -13.935 1.294 4.410 1.00 25.22 H new ATOM 698 N ASP A 54 -17.222 2.947 1.569 1.00 1.44 N ATOM 699 CA ASP A 54 -17.975 3.856 0.702 1.00 23.31 C ATOM 700 C ASP A 54 -17.727 3.545 -0.769 1.00 55.03 C ATOM 701 O ASP A 54 -18.580 3.793 -1.620 1.00 3.21 O ATOM 702 CB ASP A 54 -17.595 5.317 0.980 1.00 24.33 C ATOM 703 CG ASP A 54 -18.252 5.875 2.225 1.00 21.04 C ATOM 704 OD1 ASP A 54 -19.429 6.280 2.149 1.00 12.45 O ATOM 705 OD2 ASP A 54 -17.591 5.927 3.285 1.00 42.43 O ATOM 0 H ASP A 54 -16.507 3.405 2.135 1.00 1.44 H new ATOM 0 HA ASP A 54 -19.033 3.711 0.922 1.00 23.31 H new ATOM 0 HB2 ASP A 54 -16.512 5.391 1.083 1.00 24.33 H new ATOM 0 HB3 ASP A 54 -17.876 5.929 0.123 1.00 24.33 H new ATOM 710 N GLY A 55 -16.561 2.989 -1.063 1.00 73.41 N ATOM 711 CA GLY A 55 -16.207 2.695 -2.438 1.00 10.41 C ATOM 712 C GLY A 55 -14.999 3.485 -2.897 1.00 74.24 C ATOM 713 O GLY A 55 -14.424 3.199 -3.946 1.00 73.02 O ATOM 0 H GLY A 55 -15.853 2.736 -0.374 1.00 73.41 H new ATOM 0 HA2 GLY A 55 -16.002 1.629 -2.539 1.00 10.41 H new ATOM 0 HA3 GLY A 55 -17.054 2.920 -3.086 1.00 10.41 H new ATOM 717 N THR A 56 -14.616 4.483 -2.113 1.00 62.30 N ATOM 718 CA THR A 56 -13.445 5.285 -2.429 1.00 3.21 C ATOM 719 C THR A 56 -12.167 4.481 -2.192 1.00 63.31 C ATOM 720 O THR A 56 -11.971 3.877 -1.131 1.00 22.42 O ATOM 721 CB THR A 56 -13.414 6.606 -1.624 1.00 51.31 C ATOM 722 OG1 THR A 56 -12.212 7.334 -1.904 1.00 52.24 O ATOM 723 CG2 THR A 56 -13.526 6.354 -0.129 1.00 22.31 C ATOM 0 H THR A 56 -15.098 4.755 -1.256 1.00 62.30 H new ATOM 0 HA THR A 56 -13.505 5.550 -3.485 1.00 3.21 H new ATOM 0 HB THR A 56 -14.276 7.197 -1.934 1.00 51.31 H new ATOM 0 HG1 THR A 56 -12.207 8.168 -1.389 1.00 52.24 H new ATOM 0 HG21 THR A 56 -13.501 7.305 0.403 1.00 22.31 H new ATOM 0 HG22 THR A 56 -14.465 5.844 0.085 1.00 22.31 H new ATOM 0 HG23 THR A 56 -12.693 5.733 0.199 1.00 22.31 H new ATOM 731 N ARG A 57 -11.314 4.462 -3.199 1.00 71.31 N ATOM 732 CA ARG A 57 -10.103 3.666 -3.173 1.00 51.31 C ATOM 733 C ARG A 57 -8.891 4.585 -3.278 1.00 52.41 C ATOM 734 O ARG A 57 -8.748 5.332 -4.245 1.00 32.35 O ATOM 735 CB ARG A 57 -10.161 2.662 -4.327 1.00 23.13 C ATOM 736 CG ARG A 57 -9.079 1.593 -4.336 1.00 22.54 C ATOM 737 CD ARG A 57 -9.567 0.387 -5.125 1.00 33.40 C ATOM 738 NE ARG A 57 -8.511 -0.573 -5.450 1.00 31.11 N ATOM 739 CZ ARG A 57 -8.620 -1.885 -5.236 1.00 60.34 C ATOM 740 NH1 ARG A 57 -9.606 -2.359 -4.482 1.00 50.05 N ATOM 741 NH2 ARG A 57 -7.729 -2.722 -5.751 1.00 52.41 N ATOM 0 H ARG A 57 -11.442 4.998 -4.057 1.00 71.31 H new ATOM 0 HA ARG A 57 -10.016 3.114 -2.237 1.00 51.31 H new ATOM 0 HB2 ARG A 57 -11.132 2.168 -4.304 1.00 23.13 H new ATOM 0 HB3 ARG A 57 -10.107 3.214 -5.265 1.00 23.13 H new ATOM 0 HG2 ARG A 57 -8.166 1.988 -4.782 1.00 22.54 H new ATOM 0 HG3 ARG A 57 -8.834 1.299 -3.315 1.00 22.54 H new ATOM 0 HD2 ARG A 57 -10.343 -0.121 -4.552 1.00 33.40 H new ATOM 0 HD3 ARG A 57 -10.029 0.732 -6.050 1.00 33.40 H new ATOM 0 HE ARG A 57 -7.647 -0.220 -5.862 1.00 31.11 H new ATOM 0 HH11 ARG A 57 -10.282 -1.719 -4.065 1.00 50.05 H new ATOM 0 HH12 ARG A 57 -9.687 -3.363 -4.320 1.00 50.05 H new ATOM 0 HH21 ARG A 57 -6.957 -2.363 -6.313 1.00 52.41 H new ATOM 0 HH22 ARG A 57 -7.816 -3.725 -5.585 1.00 52.41 H new ATOM 755 N VAL A 58 -8.041 4.548 -2.267 1.00 12.31 N ATOM 756 CA VAL A 58 -6.919 5.473 -2.176 1.00 40.11 C ATOM 757 C VAL A 58 -5.597 4.765 -2.459 1.00 43.03 C ATOM 758 O VAL A 58 -5.372 3.646 -1.990 1.00 61.40 O ATOM 759 CB VAL A 58 -6.858 6.127 -0.775 1.00 11.32 C ATOM 760 CG1 VAL A 58 -5.725 7.137 -0.685 1.00 14.25 C ATOM 761 CG2 VAL A 58 -8.185 6.786 -0.430 1.00 21.43 C ATOM 0 H VAL A 58 -8.105 3.886 -1.494 1.00 12.31 H new ATOM 0 HA VAL A 58 -7.074 6.246 -2.928 1.00 40.11 H new ATOM 0 HB VAL A 58 -6.663 5.337 -0.050 1.00 11.32 H new ATOM 0 HG11 VAL A 58 -5.709 7.578 0.311 1.00 14.25 H new ATOM 0 HG12 VAL A 58 -4.776 6.637 -0.875 1.00 14.25 H new ATOM 0 HG13 VAL A 58 -5.877 7.921 -1.427 1.00 14.25 H new ATOM 0 HG21 VAL A 58 -8.120 7.239 0.559 1.00 21.43 H new ATOM 0 HG22 VAL A 58 -8.412 7.556 -1.168 1.00 21.43 H new ATOM 0 HG23 VAL A 58 -8.976 6.036 -0.434 1.00 21.43 H new ATOM 771 N GLU A 59 -4.737 5.417 -3.234 1.00 70.00 N ATOM 772 CA GLU A 59 -3.400 4.909 -3.487 1.00 63.04 C ATOM 773 C GLU A 59 -2.414 5.575 -2.530 1.00 5.13 C ATOM 774 O GLU A 59 -2.178 6.785 -2.589 1.00 44.40 O ATOM 775 CB GLU A 59 -2.987 5.141 -4.951 1.00 70.04 C ATOM 776 CG GLU A 59 -3.084 6.589 -5.402 1.00 34.31 C ATOM 777 CD GLU A 59 -2.630 6.791 -6.831 1.00 11.24 C ATOM 778 OE1 GLU A 59 -3.467 6.673 -7.751 1.00 33.44 O ATOM 779 OE2 GLU A 59 -1.433 7.077 -7.047 1.00 74.21 O ATOM 0 H GLU A 59 -4.946 6.301 -3.698 1.00 70.00 H new ATOM 0 HA GLU A 59 -3.393 3.833 -3.314 1.00 63.04 H new ATOM 0 HB2 GLU A 59 -1.961 4.798 -5.087 1.00 70.04 H new ATOM 0 HB3 GLU A 59 -3.616 4.528 -5.596 1.00 70.04 H new ATOM 0 HG2 GLU A 59 -4.115 6.927 -5.302 1.00 34.31 H new ATOM 0 HG3 GLU A 59 -2.479 7.211 -4.742 1.00 34.31 H new ATOM 786 N VAL A 60 -1.873 4.791 -1.621 1.00 54.45 N ATOM 787 CA VAL A 60 -0.935 5.299 -0.639 1.00 31.44 C ATOM 788 C VAL A 60 0.490 5.033 -1.096 1.00 20.30 C ATOM 789 O VAL A 60 0.905 3.882 -1.227 1.00 71.14 O ATOM 790 CB VAL A 60 -1.152 4.652 0.743 1.00 41.40 C ATOM 791 CG1 VAL A 60 -0.273 5.314 1.794 1.00 21.03 C ATOM 792 CG2 VAL A 60 -2.618 4.722 1.145 1.00 24.21 C ATOM 0 H VAL A 60 -2.068 3.793 -1.541 1.00 54.45 H new ATOM 0 HA VAL A 60 -1.105 6.372 -0.547 1.00 31.44 H new ATOM 0 HB VAL A 60 -0.867 3.602 0.675 1.00 41.40 H new ATOM 0 HG11 VAL A 60 -0.443 4.841 2.761 1.00 21.03 H new ATOM 0 HG12 VAL A 60 0.775 5.202 1.515 1.00 21.03 H new ATOM 0 HG13 VAL A 60 -0.520 6.374 1.860 1.00 21.03 H new ATOM 0 HG21 VAL A 60 -2.749 4.260 2.123 1.00 24.21 H new ATOM 0 HG22 VAL A 60 -2.933 5.764 1.191 1.00 24.21 H new ATOM 0 HG23 VAL A 60 -3.223 4.192 0.409 1.00 24.21 H new ATOM 802 N HIS A 61 1.223 6.097 -1.368 1.00 3.34 N ATOM 803 CA HIS A 61 2.602 5.967 -1.798 1.00 52.11 C ATOM 804 C HIS A 61 3.535 5.961 -0.600 1.00 64.04 C ATOM 805 O HIS A 61 3.531 6.886 0.214 1.00 0.34 O ATOM 806 CB HIS A 61 2.975 7.082 -2.775 1.00 70.34 C ATOM 807 CG HIS A 61 2.381 6.893 -4.140 1.00 52.21 C ATOM 808 ND1 HIS A 61 2.451 7.840 -5.136 1.00 62.23 N ATOM 809 CD2 HIS A 61 1.728 5.836 -4.679 1.00 74.41 C ATOM 810 CE1 HIS A 61 1.867 7.374 -6.225 1.00 52.34 C ATOM 811 NE2 HIS A 61 1.418 6.156 -5.976 1.00 55.52 N ATOM 0 H HIS A 61 0.887 7.058 -1.299 1.00 3.34 H new ATOM 0 HA HIS A 61 2.710 5.016 -2.319 1.00 52.11 H new ATOM 0 HB2 HIS A 61 2.643 8.038 -2.370 1.00 70.34 H new ATOM 0 HB3 HIS A 61 4.060 7.133 -2.862 1.00 70.34 H new ATOM 0 HD2 HIS A 61 1.494 4.908 -4.178 1.00 74.41 H new ATOM 0 HE1 HIS A 61 1.772 7.901 -7.163 1.00 52.34 H new ATOM 0 HE2 HIS A 61 0.924 5.556 -6.637 1.00 55.52 H new ATOM 820 N LEU A 62 4.311 4.898 -0.500 1.00 54.25 N ATOM 821 CA LEU A 62 5.224 4.685 0.609 1.00 62.32 C ATOM 822 C LEU A 62 6.663 4.753 0.123 1.00 33.03 C ATOM 823 O LEU A 62 6.963 4.351 -1.007 1.00 21.13 O ATOM 824 CB LEU A 62 4.939 3.318 1.232 1.00 25.14 C ATOM 825 CG LEU A 62 4.095 3.324 2.513 1.00 3.23 C ATOM 826 CD1 LEU A 62 3.153 4.519 2.557 1.00 42.42 C ATOM 827 CD2 LEU A 62 3.282 2.049 2.594 1.00 4.31 C ATOM 0 H LEU A 62 4.326 4.150 -1.193 1.00 54.25 H new ATOM 0 HA LEU A 62 5.078 5.463 1.358 1.00 62.32 H new ATOM 0 HB2 LEU A 62 4.432 2.701 0.490 1.00 25.14 H new ATOM 0 HB3 LEU A 62 5.891 2.835 1.451 1.00 25.14 H new ATOM 0 HG LEU A 62 4.777 3.393 3.361 1.00 3.23 H new ATOM 0 HD11 LEU A 62 2.571 4.490 3.478 1.00 42.42 H new ATOM 0 HD12 LEU A 62 3.733 5.441 2.523 1.00 42.42 H new ATOM 0 HD13 LEU A 62 2.479 4.483 1.701 1.00 42.42 H new ATOM 0 HD21 LEU A 62 2.684 2.056 3.505 1.00 4.31 H new ATOM 0 HD22 LEU A 62 2.624 1.982 1.728 1.00 4.31 H new ATOM 0 HD23 LEU A 62 3.953 1.190 2.607 1.00 4.31 H new ATOM 839 N ASP A 63 7.547 5.264 0.968 1.00 31.40 N ATOM 840 CA ASP A 63 8.947 5.393 0.595 1.00 1.10 C ATOM 841 C ASP A 63 9.748 4.167 1.009 1.00 52.33 C ATOM 842 O ASP A 63 9.185 3.142 1.395 1.00 5.20 O ATOM 843 CB ASP A 63 9.578 6.670 1.177 1.00 14.21 C ATOM 844 CG ASP A 63 9.543 6.754 2.693 1.00 3.01 C ATOM 845 OD1 ASP A 63 9.636 5.706 3.366 1.00 21.22 O ATOM 846 OD2 ASP A 63 9.430 7.886 3.213 1.00 74.00 O ATOM 0 H ASP A 63 7.322 5.593 1.907 1.00 31.40 H new ATOM 0 HA ASP A 63 8.978 5.470 -0.492 1.00 1.10 H new ATOM 0 HB2 ASP A 63 10.615 6.731 0.846 1.00 14.21 H new ATOM 0 HB3 ASP A 63 9.060 7.536 0.765 1.00 14.21 H new ATOM 851 N ARG A 64 11.066 4.295 0.943 1.00 33.13 N ATOM 852 CA ARG A 64 11.972 3.173 1.149 1.00 55.45 C ATOM 853 C ARG A 64 11.912 2.649 2.585 1.00 65.42 C ATOM 854 O ARG A 64 12.328 1.521 2.857 1.00 73.31 O ATOM 855 CB ARG A 64 13.401 3.592 0.805 1.00 13.32 C ATOM 856 CG ARG A 64 13.501 4.394 -0.484 1.00 33.23 C ATOM 857 CD ARG A 64 14.937 4.786 -0.794 1.00 63.33 C ATOM 858 NE ARG A 64 15.003 5.883 -1.759 1.00 65.12 N ATOM 859 CZ ARG A 64 15.894 5.971 -2.744 1.00 5.24 C ATOM 860 NH1 ARG A 64 16.780 5.001 -2.939 1.00 61.31 N ATOM 861 NH2 ARG A 64 15.896 7.036 -3.536 1.00 12.22 N ATOM 0 H ARG A 64 11.537 5.178 0.745 1.00 33.13 H new ATOM 0 HA ARG A 64 11.656 2.364 0.490 1.00 55.45 H new ATOM 0 HB2 ARG A 64 13.806 4.185 1.625 1.00 13.32 H new ATOM 0 HB3 ARG A 64 14.022 2.701 0.719 1.00 13.32 H new ATOM 0 HG2 ARG A 64 13.098 3.807 -1.309 1.00 33.23 H new ATOM 0 HG3 ARG A 64 12.888 5.292 -0.402 1.00 33.23 H new ATOM 0 HD2 ARG A 64 15.440 5.081 0.127 1.00 63.33 H new ATOM 0 HD3 ARG A 64 15.473 3.922 -1.188 1.00 63.33 H new ATOM 0 HE ARG A 64 14.318 6.634 -1.671 1.00 65.12 H new ATOM 0 HH11 ARG A 64 16.781 4.181 -2.332 1.00 61.31 H new ATOM 0 HH12 ARG A 64 17.460 5.076 -3.696 1.00 61.31 H new ATOM 0 HH21 ARG A 64 15.217 7.783 -3.389 1.00 12.22 H new ATOM 0 HH22 ARG A 64 16.577 7.108 -4.292 1.00 12.22 H new ATOM 875 N ASP A 65 11.381 3.458 3.495 1.00 51.42 N ATOM 876 CA ASP A 65 11.287 3.069 4.897 1.00 20.55 C ATOM 877 C ASP A 65 9.841 2.807 5.292 1.00 34.11 C ATOM 878 O ASP A 65 9.527 2.716 6.480 1.00 73.11 O ATOM 879 CB ASP A 65 11.876 4.149 5.811 1.00 40.21 C ATOM 880 CG ASP A 65 13.388 4.218 5.752 1.00 61.21 C ATOM 881 OD1 ASP A 65 14.042 3.156 5.813 1.00 12.31 O ATOM 882 OD2 ASP A 65 13.935 5.339 5.658 1.00 21.50 O ATOM 0 H ASP A 65 11.010 4.385 3.288 1.00 51.42 H new ATOM 0 HA ASP A 65 11.863 2.151 5.018 1.00 20.55 H new ATOM 0 HB2 ASP A 65 11.463 5.118 5.531 1.00 40.21 H new ATOM 0 HB3 ASP A 65 11.567 3.955 6.838 1.00 40.21 H new ATOM 887 N PHE A 66 8.968 2.693 4.289 1.00 23.41 N ATOM 888 CA PHE A 66 7.542 2.436 4.513 1.00 54.32 C ATOM 889 C PHE A 66 6.877 3.604 5.230 1.00 65.31 C ATOM 890 O PHE A 66 5.914 3.430 5.981 1.00 45.55 O ATOM 891 CB PHE A 66 7.331 1.135 5.293 1.00 43.30 C ATOM 892 CG PHE A 66 6.976 -0.028 4.419 1.00 65.24 C ATOM 893 CD1 PHE A 66 5.669 -0.216 4.008 1.00 14.42 C ATOM 894 CD2 PHE A 66 7.944 -0.922 3.995 1.00 32.42 C ATOM 895 CE1 PHE A 66 5.329 -1.275 3.197 1.00 35.54 C ATOM 896 CE2 PHE A 66 7.610 -1.985 3.179 1.00 61.14 C ATOM 897 CZ PHE A 66 6.301 -2.160 2.778 1.00 42.12 C ATOM 0 H PHE A 66 9.226 2.775 3.306 1.00 23.41 H new ATOM 0 HA PHE A 66 7.072 2.327 3.536 1.00 54.32 H new ATOM 0 HB2 PHE A 66 8.240 0.900 5.847 1.00 43.30 H new ATOM 0 HB3 PHE A 66 6.539 1.284 6.027 1.00 43.30 H new ATOM 0 HD1 PHE A 66 4.905 0.477 4.328 1.00 14.42 H new ATOM 0 HD2 PHE A 66 8.970 -0.787 4.305 1.00 32.42 H new ATOM 0 HE1 PHE A 66 4.303 -1.413 2.889 1.00 35.54 H new ATOM 0 HE2 PHE A 66 8.372 -2.678 2.855 1.00 61.14 H new ATOM 0 HZ PHE A 66 6.038 -2.989 2.137 1.00 42.12 H new ATOM 907 N ARG A 67 7.392 4.792 4.980 1.00 70.01 N ATOM 908 CA ARG A 67 6.820 6.007 5.526 1.00 30.21 C ATOM 909 C ARG A 67 5.838 6.609 4.528 1.00 24.10 C ATOM 910 O ARG A 67 6.099 6.631 3.323 1.00 54.14 O ATOM 911 CB ARG A 67 7.944 6.983 5.869 1.00 11.01 C ATOM 912 CG ARG A 67 7.496 8.397 6.189 1.00 23.32 C ATOM 913 CD ARG A 67 8.700 9.268 6.501 1.00 43.32 C ATOM 914 NE ARG A 67 9.784 9.014 5.554 1.00 61.34 N ATOM 915 CZ ARG A 67 11.077 9.137 5.837 1.00 54.22 C ATOM 916 NH1 ARG A 67 11.467 9.572 7.028 1.00 33.32 N ATOM 917 NH2 ARG A 67 11.980 8.812 4.923 1.00 2.51 N ATOM 0 H ARG A 67 8.215 4.942 4.396 1.00 70.01 H new ATOM 0 HA ARG A 67 6.269 5.785 6.440 1.00 30.21 H new ATOM 0 HB2 ARG A 67 8.495 6.591 6.724 1.00 11.01 H new ATOM 0 HB3 ARG A 67 8.640 7.020 5.031 1.00 11.01 H new ATOM 0 HG2 ARG A 67 6.946 8.812 5.345 1.00 23.32 H new ATOM 0 HG3 ARG A 67 6.814 8.387 7.040 1.00 23.32 H new ATOM 0 HD2 ARG A 67 8.414 10.319 6.460 1.00 43.32 H new ATOM 0 HD3 ARG A 67 9.044 9.070 7.516 1.00 43.32 H new ATOM 0 HE ARG A 67 9.531 8.722 4.610 1.00 61.34 H new ATOM 0 HH11 ARG A 67 10.773 9.815 7.735 1.00 33.32 H new ATOM 0 HH12 ARG A 67 12.461 9.663 7.237 1.00 33.32 H new ATOM 0 HH21 ARG A 67 11.681 8.470 4.010 1.00 2.51 H new ATOM 0 HH22 ARG A 67 12.974 8.904 5.133 1.00 2.51 H new ATOM 931 N VAL A 68 4.696 7.068 5.030 1.00 15.03 N ATOM 932 CA VAL A 68 3.645 7.613 4.178 1.00 2.10 C ATOM 933 C VAL A 68 4.099 8.895 3.474 1.00 12.13 C ATOM 934 O VAL A 68 4.414 9.904 4.115 1.00 52.43 O ATOM 935 CB VAL A 68 2.340 7.863 4.976 1.00 44.11 C ATOM 936 CG1 VAL A 68 2.593 8.744 6.194 1.00 71.23 C ATOM 937 CG2 VAL A 68 1.269 8.470 4.081 1.00 41.24 C ATOM 0 H VAL A 68 4.475 7.073 6.026 1.00 15.03 H new ATOM 0 HA VAL A 68 3.436 6.865 3.413 1.00 2.10 H new ATOM 0 HB VAL A 68 1.980 6.899 5.335 1.00 44.11 H new ATOM 0 HG11 VAL A 68 1.657 8.900 6.731 1.00 71.23 H new ATOM 0 HG12 VAL A 68 3.313 8.257 6.852 1.00 71.23 H new ATOM 0 HG13 VAL A 68 2.990 9.706 5.871 1.00 71.23 H new ATOM 0 HG21 VAL A 68 0.362 8.637 4.661 1.00 41.24 H new ATOM 0 HG22 VAL A 68 1.624 9.420 3.681 1.00 41.24 H new ATOM 0 HG23 VAL A 68 1.053 7.788 3.258 1.00 41.24 H new ATOM 947 N LEU A 69 4.145 8.838 2.149 1.00 65.31 N ATOM 948 CA LEU A 69 4.537 9.984 1.341 1.00 14.12 C ATOM 949 C LEU A 69 3.327 10.817 0.955 1.00 2.20 C ATOM 950 O LEU A 69 3.233 11.993 1.305 1.00 72.51 O ATOM 951 CB LEU A 69 5.248 9.525 0.068 1.00 11.32 C ATOM 952 CG LEU A 69 6.574 8.802 0.276 1.00 51.24 C ATOM 953 CD1 LEU A 69 7.109 8.308 -1.057 1.00 70.40 C ATOM 954 CD2 LEU A 69 7.581 9.722 0.951 1.00 10.10 C ATOM 0 H LEU A 69 3.914 8.004 1.609 1.00 65.31 H new ATOM 0 HA LEU A 69 5.214 10.592 1.941 1.00 14.12 H new ATOM 0 HB2 LEU A 69 4.578 8.865 -0.483 1.00 11.32 H new ATOM 0 HB3 LEU A 69 5.425 10.397 -0.562 1.00 11.32 H new ATOM 0 HG LEU A 69 6.410 7.943 0.926 1.00 51.24 H new ATOM 0 HD11 LEU A 69 8.057 7.793 -0.900 1.00 70.40 H new ATOM 0 HD12 LEU A 69 6.392 7.620 -1.505 1.00 70.40 H new ATOM 0 HD13 LEU A 69 7.263 9.156 -1.724 1.00 70.40 H new ATOM 0 HD21 LEU A 69 8.522 9.190 1.092 1.00 10.10 H new ATOM 0 HD22 LEU A 69 7.750 10.598 0.325 1.00 10.10 H new ATOM 0 HD23 LEU A 69 7.194 10.037 1.920 1.00 10.10 H new ATOM 966 N ASP A 70 2.394 10.196 0.247 1.00 2.44 N ATOM 967 CA ASP A 70 1.260 10.916 -0.319 1.00 61.33 C ATOM 968 C ASP A 70 0.108 9.956 -0.578 1.00 53.34 C ATOM 969 O ASP A 70 0.330 8.781 -0.880 1.00 13.14 O ATOM 970 CB ASP A 70 1.688 11.600 -1.624 1.00 42.23 C ATOM 971 CG ASP A 70 0.580 12.406 -2.273 1.00 20.34 C ATOM 972 OD1 ASP A 70 0.395 13.583 -1.900 1.00 32.00 O ATOM 973 OD2 ASP A 70 -0.088 11.881 -3.180 1.00 32.33 O ATOM 0 H ASP A 70 2.399 9.195 0.050 1.00 2.44 H new ATOM 0 HA ASP A 70 0.925 11.675 0.388 1.00 61.33 H new ATOM 0 HB2 ASP A 70 2.534 12.257 -1.421 1.00 42.23 H new ATOM 0 HB3 ASP A 70 2.035 10.842 -2.326 1.00 42.23 H new ATOM 978 N THR A 71 -1.116 10.450 -0.445 1.00 31.15 N ATOM 979 CA THR A 71 -2.296 9.627 -0.654 1.00 41.11 C ATOM 980 C THR A 71 -3.210 10.243 -1.714 1.00 2.13 C ATOM 981 O THR A 71 -3.838 11.278 -1.484 1.00 75.31 O ATOM 982 CB THR A 71 -3.079 9.426 0.662 1.00 44.13 C ATOM 983 OG1 THR A 71 -3.240 10.677 1.343 1.00 64.34 O ATOM 984 CG2 THR A 71 -2.369 8.442 1.576 1.00 13.30 C ATOM 0 H THR A 71 -1.316 11.418 -0.193 1.00 31.15 H new ATOM 0 HA THR A 71 -1.956 8.653 -1.005 1.00 41.11 H new ATOM 0 HB THR A 71 -4.059 9.022 0.407 1.00 44.13 H new ATOM 0 HG1 THR A 71 -3.527 11.363 0.704 1.00 64.34 H new ATOM 0 HG21 THR A 71 -2.943 8.320 2.495 1.00 13.30 H new ATOM 0 HG22 THR A 71 -2.279 7.479 1.074 1.00 13.30 H new ATOM 0 HG23 THR A 71 -1.375 8.820 1.816 1.00 13.30 H new ATOM 992 N GLU A 72 -3.272 9.604 -2.871 1.00 32.25 N ATOM 993 CA GLU A 72 -4.086 10.091 -3.979 1.00 15.45 C ATOM 994 C GLU A 72 -5.318 9.218 -4.170 1.00 62.42 C ATOM 995 O GLU A 72 -5.329 8.053 -3.774 1.00 21.12 O ATOM 996 CB GLU A 72 -3.266 10.104 -5.272 1.00 50.14 C ATOM 997 CG GLU A 72 -2.328 11.289 -5.394 1.00 52.30 C ATOM 998 CD GLU A 72 -3.064 12.578 -5.685 1.00 30.22 C ATOM 999 OE1 GLU A 72 -3.256 12.897 -6.877 1.00 43.14 O ATOM 1000 OE2 GLU A 72 -3.453 13.282 -4.729 1.00 3.30 O ATOM 0 H GLU A 72 -2.766 8.741 -3.070 1.00 32.25 H new ATOM 0 HA GLU A 72 -4.407 11.105 -3.742 1.00 15.45 H new ATOM 0 HB2 GLU A 72 -2.683 9.185 -5.330 1.00 50.14 H new ATOM 0 HB3 GLU A 72 -3.948 10.104 -6.123 1.00 50.14 H new ATOM 0 HG2 GLU A 72 -1.762 11.398 -4.469 1.00 52.30 H new ATOM 0 HG3 GLU A 72 -1.607 11.098 -6.189 1.00 52.30 H new ATOM 1007 N PRO A 73 -6.383 9.769 -4.761 1.00 3.51 N ATOM 1008 CA PRO A 73 -7.559 8.995 -5.131 1.00 4.25 C ATOM 1009 C PRO A 73 -7.282 8.141 -6.363 1.00 21.52 C ATOM 1010 O PRO A 73 -6.898 8.659 -7.413 1.00 22.32 O ATOM 1011 CB PRO A 73 -8.628 10.057 -5.441 1.00 2.41 C ATOM 1012 CG PRO A 73 -8.027 11.369 -5.050 1.00 74.00 C ATOM 1013 CD PRO A 73 -6.539 11.186 -5.103 1.00 55.42 C ATOM 0 HA PRO A 73 -7.866 8.306 -4.344 1.00 4.25 H new ATOM 0 HB2 PRO A 73 -8.892 10.048 -6.498 1.00 2.41 H new ATOM 0 HB3 PRO A 73 -9.544 9.865 -4.882 1.00 2.41 H new ATOM 0 HG2 PRO A 73 -8.345 12.160 -5.729 1.00 74.00 H new ATOM 0 HG3 PRO A 73 -8.347 11.660 -4.050 1.00 74.00 H new ATOM 0 HD2 PRO A 73 -6.137 11.412 -6.091 1.00 55.42 H new ATOM 0 HD3 PRO A 73 -6.025 11.834 -4.393 1.00 55.42 H new ATOM 1021 N ALA A 74 -7.458 6.838 -6.227 1.00 54.01 N ATOM 1022 CA ALA A 74 -7.205 5.925 -7.328 1.00 42.12 C ATOM 1023 C ALA A 74 -8.414 5.862 -8.250 1.00 31.35 C ATOM 1024 O ALA A 74 -9.541 6.159 -7.837 1.00 24.41 O ATOM 1025 CB ALA A 74 -6.855 4.543 -6.800 1.00 3.43 C ATOM 0 H ALA A 74 -7.774 6.389 -5.367 1.00 54.01 H new ATOM 0 HA ALA A 74 -6.356 6.295 -7.902 1.00 42.12 H new ATOM 0 HB1 ALA A 74 -6.668 3.870 -7.637 1.00 3.43 H new ATOM 0 HB2 ALA A 74 -5.961 4.606 -6.179 1.00 3.43 H new ATOM 0 HB3 ALA A 74 -7.684 4.160 -6.205 1.00 3.43 H new ATOM 1031 N ASP A 75 -8.184 5.483 -9.496 1.00 21.44 N ATOM 1032 CA ASP A 75 -9.264 5.396 -10.472 1.00 55.12 C ATOM 1033 C ASP A 75 -9.934 4.032 -10.399 1.00 0.43 C ATOM 1034 O ASP A 75 -9.262 3.006 -10.299 1.00 62.43 O ATOM 1035 CB ASP A 75 -8.741 5.649 -11.885 1.00 33.15 C ATOM 1036 CG ASP A 75 -9.847 5.601 -12.920 1.00 3.41 C ATOM 1037 OD1 ASP A 75 -10.532 6.625 -13.111 1.00 61.13 O ATOM 1038 OD2 ASP A 75 -10.036 4.540 -13.540 1.00 54.42 O ATOM 0 H ASP A 75 -7.264 5.231 -9.857 1.00 21.44 H new ATOM 0 HA ASP A 75 -10.000 6.164 -10.234 1.00 55.12 H new ATOM 0 HB2 ASP A 75 -8.253 6.623 -11.921 1.00 33.15 H new ATOM 0 HB3 ASP A 75 -7.984 4.904 -12.130 1.00 33.15 H new ATOM 1043 N GLY A 76 -11.258 4.027 -10.443 1.00 44.54 N ATOM 1044 CA GLY A 76 -11.995 2.792 -10.270 1.00 71.25 C ATOM 1045 C GLY A 76 -12.431 2.177 -11.583 1.00 55.14 C ATOM 1046 O GLY A 76 -13.102 1.144 -11.598 1.00 41.34 O ATOM 0 H GLY A 76 -11.835 4.854 -10.595 1.00 44.54 H new ATOM 0 HA2 GLY A 76 -11.375 2.078 -9.728 1.00 71.25 H new ATOM 0 HA3 GLY A 76 -12.874 2.983 -9.654 1.00 71.25 H new ATOM 1050 N ASP A 77 -12.064 2.807 -12.687 1.00 34.52 N ATOM 1051 CA ASP A 77 -12.422 2.303 -14.004 1.00 1.10 C ATOM 1052 C ASP A 77 -11.269 1.513 -14.607 1.00 21.02 C ATOM 1053 O ASP A 77 -11.419 0.343 -14.962 1.00 60.31 O ATOM 1054 CB ASP A 77 -12.812 3.448 -14.937 1.00 11.11 C ATOM 1055 CG ASP A 77 -13.185 2.952 -16.316 1.00 25.13 C ATOM 1056 OD1 ASP A 77 -14.363 2.597 -16.524 1.00 63.24 O ATOM 1057 OD2 ASP A 77 -12.303 2.910 -17.198 1.00 62.35 O ATOM 0 H ASP A 77 -11.518 3.669 -12.698 1.00 34.52 H new ATOM 0 HA ASP A 77 -13.280 1.641 -13.887 1.00 1.10 H new ATOM 0 HB2 ASP A 77 -13.652 3.995 -14.509 1.00 11.11 H new ATOM 0 HB3 ASP A 77 -11.982 4.150 -15.016 1.00 11.11 H new ATOM 1062 N GLY A 78 -10.119 2.160 -14.708 1.00 44.01 N ATOM 1063 CA GLY A 78 -8.959 1.536 -15.309 1.00 4.12 C ATOM 1064 C GLY A 78 -8.529 2.257 -16.568 1.00 24.25 C ATOM 1065 O GLY A 78 -7.344 2.294 -16.901 1.00 54.43 O ATOM 0 H GLY A 78 -9.967 3.114 -14.382 1.00 44.01 H new ATOM 0 HA2 GLY A 78 -8.137 1.530 -14.594 1.00 4.12 H new ATOM 0 HA3 GLY A 78 -9.185 0.496 -15.544 1.00 4.12 H new ATOM 1069 N GLY A 79 -9.496 2.842 -17.265 1.00 5.32 N ATOM 1070 CA GLY A 79 -9.204 3.570 -18.480 1.00 70.11 C ATOM 1071 C GLY A 79 -8.858 5.016 -18.202 1.00 41.12 C ATOM 1072 O GLY A 79 -9.676 5.910 -18.421 1.00 34.34 O ATOM 0 H GLY A 79 -10.482 2.823 -17.006 1.00 5.32 H new ATOM 0 HA2 GLY A 79 -8.374 3.091 -18.999 1.00 70.11 H new ATOM 0 HA3 GLY A 79 -10.065 3.524 -19.146 1.00 70.11 H new ATOM 1076 N LEU A 80 -7.652 5.243 -17.703 1.00 53.11 N ATOM 1077 CA LEU A 80 -7.184 6.588 -17.402 1.00 20.44 C ATOM 1078 C LEU A 80 -6.974 7.396 -18.674 1.00 11.44 C ATOM 1079 O LEU A 80 -6.408 6.903 -19.650 1.00 40.24 O ATOM 1080 CB LEU A 80 -5.884 6.537 -16.596 1.00 44.11 C ATOM 1081 CG LEU A 80 -6.046 6.142 -15.130 1.00 35.24 C ATOM 1082 CD1 LEU A 80 -4.688 6.010 -14.458 1.00 14.10 C ATOM 1083 CD2 LEU A 80 -6.898 7.171 -14.405 1.00 43.04 C ATOM 0 H LEU A 80 -6.976 4.508 -17.497 1.00 53.11 H new ATOM 0 HA LEU A 80 -7.953 7.080 -16.806 1.00 20.44 H new ATOM 0 HB2 LEU A 80 -5.206 5.830 -17.074 1.00 44.11 H new ATOM 0 HB3 LEU A 80 -5.408 7.516 -16.642 1.00 44.11 H new ATOM 0 HG LEU A 80 -6.546 5.174 -15.083 1.00 35.24 H new ATOM 0 HD11 LEU A 80 -4.825 5.728 -13.414 1.00 14.10 H new ATOM 0 HD12 LEU A 80 -4.103 5.244 -14.967 1.00 14.10 H new ATOM 0 HD13 LEU A 80 -4.162 6.963 -14.511 1.00 14.10 H new ATOM 0 HD21 LEU A 80 -7.008 6.881 -13.360 1.00 43.04 H new ATOM 0 HD22 LEU A 80 -6.416 8.147 -14.462 1.00 43.04 H new ATOM 0 HD23 LEU A 80 -7.881 7.224 -14.872 1.00 43.04 H new ATOM 1095 N GLU A 81 -7.451 8.628 -18.657 1.00 15.21 N ATOM 1096 CA GLU A 81 -7.284 9.530 -19.779 1.00 52.20 C ATOM 1097 C GLU A 81 -6.208 10.567 -19.469 1.00 31.03 C ATOM 1098 O GLU A 81 -5.053 10.359 -19.892 1.00 64.15 O ATOM 1099 CB GLU A 81 -8.613 10.210 -20.125 1.00 44.13 C ATOM 1100 CG GLU A 81 -9.384 10.707 -18.912 1.00 12.54 C ATOM 1101 CD GLU A 81 -10.584 11.541 -19.294 1.00 54.42 C ATOM 1102 OE1 GLU A 81 -11.623 10.962 -19.666 1.00 54.32 O ATOM 1103 OE2 GLU A 81 -10.489 12.785 -19.229 1.00 20.54 O ATOM 1104 OXT GLU A 81 -6.513 11.567 -18.784 1.00 0.00 O ATOM 0 H GLU A 81 -7.962 9.028 -17.870 1.00 15.21 H new ATOM 0 HA GLU A 81 -6.964 8.952 -20.646 1.00 52.20 H new ATOM 0 HB2 GLU A 81 -8.417 11.052 -20.789 1.00 44.13 H new ATOM 0 HB3 GLU A 81 -9.237 9.507 -20.677 1.00 44.13 H new ATOM 0 HG2 GLU A 81 -9.712 9.853 -18.319 1.00 12.54 H new ATOM 0 HG3 GLU A 81 -8.721 11.298 -18.280 1.00 12.54 H new TER 1111 GLU A 81