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 Set 1.1: A 46 SER OG : rot 180:sc= 0.0912 USER MOD Set 1.2: A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 43:sc= 0.043 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 36:sc= 0.0645 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 165:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.0448 X(o=-0.045,f=-0.00052) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.092 -10.943 6.000 1.00 0.00 N ATOM 2 CA ALA A 1 -12.931 -11.930 5.272 1.00 0.00 C ATOM 3 C ALA A 1 -12.285 -12.380 3.951 1.00 0.00 C ATOM 4 O ALA A 1 -12.054 -13.577 3.766 1.00 0.00 O ATOM 5 CB ALA A 1 -14.370 -11.423 5.060 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.567 -10.668 6.884 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.169 -11.368 6.221 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.952 -10.101 5.406 1.00 0.00 H new ATOM 0 HA ALA A 1 -12.995 -12.812 5.910 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.946 -12.177 4.524 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.834 -11.231 6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -14.349 -10.501 4.478 1.00 0.00 H new ATOM 13 N GLY A 2 -11.999 -11.453 3.022 1.00 0.00 N ATOM 14 CA GLY A 2 -11.359 -11.743 1.727 1.00 0.00 C ATOM 15 C GLY A 2 -9.979 -12.413 1.828 1.00 0.00 C ATOM 16 O GLY A 2 -9.286 -12.303 2.844 1.00 0.00 O ATOM 0 H GLY A 2 -12.210 -10.463 3.152 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -12.019 -12.388 1.147 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -11.255 -10.811 1.172 1.00 0.00 H new ATOM 20 N HIS A 3 -9.574 -13.079 0.740 1.00 0.00 N ATOM 21 CA HIS A 3 -8.335 -13.876 0.625 1.00 0.00 C ATOM 22 C HIS A 3 -7.434 -13.456 -0.547 1.00 0.00 C ATOM 23 O HIS A 3 -6.210 -13.538 -0.440 1.00 0.00 O ATOM 24 CB HIS A 3 -8.705 -15.371 0.532 1.00 0.00 C ATOM 25 CG HIS A 3 -9.575 -15.717 -0.658 1.00 0.00 C ATOM 26 ND1 HIS A 3 -9.130 -16.073 -1.921 1.00 0.00 N ATOM 27 CD2 HIS A 3 -10.943 -15.694 -0.680 1.00 0.00 C ATOM 28 CE1 HIS A 3 -10.216 -16.243 -2.703 1.00 0.00 C ATOM 29 NE2 HIS A 3 -11.328 -16.020 -1.969 1.00 0.00 N ATOM 0 H HIS A 3 -10.119 -13.081 -0.122 1.00 0.00 H new ATOM 0 HA HIS A 3 -7.743 -13.688 1.521 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.789 -15.959 0.482 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -9.223 -15.664 1.445 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -11.597 -15.465 0.149 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -10.199 -16.514 -3.748 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -12.288 -16.081 -2.307 1.00 0.00 H new ATOM 38 N MET A 4 -8.027 -13.023 -1.666 1.00 0.00 N ATOM 39 CA MET A 4 -7.306 -12.624 -2.883 1.00 0.00 C ATOM 40 C MET A 4 -6.590 -11.274 -2.695 1.00 0.00 C ATOM 41 O MET A 4 -5.421 -11.128 -3.064 1.00 0.00 O ATOM 42 CB MET A 4 -8.289 -12.628 -4.068 1.00 0.00 C ATOM 43 CG MET A 4 -7.568 -12.710 -5.418 1.00 0.00 C ATOM 44 SD MET A 4 -7.180 -11.117 -6.193 1.00 0.00 S ATOM 45 CE MET A 4 -6.058 -11.717 -7.486 1.00 0.00 C ATOM 0 H MET A 4 -9.040 -12.938 -1.754 1.00 0.00 H new ATOM 0 HA MET A 4 -6.515 -13.342 -3.098 1.00 0.00 H new ATOM 0 HB2 MET A 4 -8.970 -13.473 -3.970 1.00 0.00 H new ATOM 0 HB3 MET A 4 -8.897 -11.724 -4.037 1.00 0.00 H new ATOM 0 HG2 MET A 4 -6.639 -13.264 -5.281 1.00 0.00 H new ATOM 0 HG3 MET A 4 -8.185 -13.288 -6.106 1.00 0.00 H new ATOM 0 HE1 MET A 4 -5.705 -10.875 -8.081 1.00 0.00 H new ATOM 0 HE2 MET A 4 -5.207 -12.218 -7.025 1.00 0.00 H new ATOM 0 HE3 MET A 4 -6.587 -12.419 -8.130 1.00 0.00 H new ATOM 55 N LYS A 5 -7.281 -10.297 -2.089 1.00 0.00 N ATOM 56 CA LYS A 5 -6.746 -8.973 -1.721 1.00 0.00 C ATOM 57 C LYS A 5 -6.095 -9.014 -0.329 1.00 0.00 C ATOM 58 O LYS A 5 -6.311 -9.947 0.447 1.00 0.00 O ATOM 59 CB LYS A 5 -7.875 -7.918 -1.788 1.00 0.00 C ATOM 60 CG LYS A 5 -8.359 -7.623 -3.222 1.00 0.00 C ATOM 61 CD LYS A 5 -7.326 -6.825 -4.039 1.00 0.00 C ATOM 62 CE LYS A 5 -7.632 -6.820 -5.543 1.00 0.00 C ATOM 63 NZ LYS A 5 -8.654 -5.808 -5.924 1.00 0.00 N ATOM 0 H LYS A 5 -8.262 -10.409 -1.832 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.969 -8.692 -2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.720 -8.264 -1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.523 -6.992 -1.334 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.573 -8.563 -3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.294 -7.064 -3.179 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.297 -5.798 -3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.335 -7.249 -3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.712 -6.625 -6.095 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.979 -7.809 -5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.819 -5.851 -6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.543 -6.006 -5.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.315 -4.859 -5.667 1.00 0.00 H new ATOM 77 N GLU A 6 -5.317 -7.981 -0.007 1.00 0.00 N ATOM 78 CA GLU A 6 -4.607 -7.824 1.272 1.00 0.00 C ATOM 79 C GLU A 6 -4.849 -6.423 1.860 1.00 0.00 C ATOM 80 O GLU A 6 -5.652 -6.276 2.784 1.00 0.00 O ATOM 81 CB GLU A 6 -3.117 -8.170 1.080 1.00 0.00 C ATOM 82 CG GLU A 6 -2.281 -8.041 2.367 1.00 0.00 C ATOM 83 CD GLU A 6 -1.474 -9.323 2.653 1.00 0.00 C ATOM 84 OE1 GLU A 6 -2.019 -10.245 3.309 1.00 0.00 O ATOM 85 OE2 GLU A 6 -0.293 -9.415 2.240 1.00 0.00 O ATOM 0 H GLU A 6 -5.155 -7.203 -0.646 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.001 -8.523 2.010 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.035 -9.190 0.705 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.696 -7.515 0.317 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.600 -7.195 2.275 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.940 -7.830 3.209 1.00 0.00 H new ATOM 92 N PHE A 7 -4.195 -5.390 1.321 1.00 0.00 N ATOM 93 CA PHE A 7 -4.363 -4.000 1.759 1.00 0.00 C ATOM 94 C PHE A 7 -5.574 -3.313 1.100 1.00 0.00 C ATOM 95 O PHE A 7 -5.635 -3.163 -0.123 1.00 0.00 O ATOM 96 CB PHE A 7 -3.055 -3.225 1.539 1.00 0.00 C ATOM 97 CG PHE A 7 -2.040 -3.457 2.645 1.00 0.00 C ATOM 98 CD1 PHE A 7 -2.381 -3.126 3.971 1.00 0.00 C ATOM 99 CD2 PHE A 7 -0.766 -3.999 2.377 1.00 0.00 C ATOM 100 CE1 PHE A 7 -1.472 -3.351 5.016 1.00 0.00 C ATOM 101 CE2 PHE A 7 0.139 -4.226 3.432 1.00 0.00 C ATOM 102 CZ PHE A 7 -0.210 -3.897 4.750 1.00 0.00 C ATOM 0 H PHE A 7 -3.526 -5.496 0.559 1.00 0.00 H new ATOM 0 HA PHE A 7 -4.584 -4.004 2.826 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.619 -3.520 0.585 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.276 -2.160 1.473 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.348 -2.696 4.185 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.484 -4.240 1.363 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.747 -3.102 6.030 1.00 0.00 H new ATOM 0 HE2 PHE A 7 1.108 -4.656 3.225 1.00 0.00 H new ATOM 0 HZ PHE A 7 0.490 -4.064 5.555 1.00 0.00 H new ATOM 112 N ARG A 8 -6.548 -2.903 1.926 1.00 0.00 N ATOM 113 CA ARG A 8 -7.759 -2.155 1.532 1.00 0.00 C ATOM 114 C ARG A 8 -7.516 -0.645 1.378 1.00 0.00 C ATOM 115 O ARG A 8 -6.587 -0.116 1.989 1.00 0.00 O ATOM 116 CB ARG A 8 -8.864 -2.405 2.576 1.00 0.00 C ATOM 117 CG ARG A 8 -9.630 -3.679 2.212 1.00 0.00 C ATOM 118 CD ARG A 8 -10.767 -3.949 3.205 1.00 0.00 C ATOM 119 NE ARG A 8 -11.227 -5.347 3.118 1.00 0.00 N ATOM 120 CZ ARG A 8 -11.992 -5.905 2.197 1.00 0.00 C ATOM 121 NH1 ARG A 8 -12.542 -5.224 1.233 1.00 0.00 N ATOM 122 NH2 ARG A 8 -12.212 -7.187 2.229 1.00 0.00 N ATOM 0 H ARG A 8 -6.516 -3.089 2.928 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.062 -2.520 0.551 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.426 -2.503 3.569 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.546 -1.555 2.611 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.038 -3.585 1.206 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.945 -4.527 2.201 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.427 -3.737 4.219 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.600 -3.276 3.001 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.913 -5.964 3.867 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.389 -4.218 1.168 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.126 -5.697 0.543 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.794 -7.758 2.964 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.802 -7.621 1.519 1.00 0.00 H new ATOM 136 N PRO A 9 -8.374 0.074 0.628 1.00 0.00 N ATOM 137 CA PRO A 9 -8.287 1.527 0.495 1.00 0.00 C ATOM 138 C PRO A 9 -8.689 2.222 1.808 1.00 0.00 C ATOM 139 O PRO A 9 -9.697 1.866 2.424 1.00 0.00 O ATOM 140 CB PRO A 9 -9.222 1.877 -0.667 1.00 0.00 C ATOM 141 CG PRO A 9 -10.290 0.786 -0.613 1.00 0.00 C ATOM 142 CD PRO A 9 -9.535 -0.439 -0.095 1.00 0.00 C ATOM 0 HA PRO A 9 -7.272 1.869 0.293 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.657 2.869 -0.546 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.694 1.874 -1.621 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.109 1.061 0.051 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.724 0.602 -1.596 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.168 -1.038 0.560 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.227 -1.084 -0.918 1.00 0.00 H new ATOM 150 N GLY A 10 -7.892 3.190 2.273 1.00 0.00 N ATOM 151 CA GLY A 10 -8.143 3.925 3.522 1.00 0.00 C ATOM 152 C GLY A 10 -7.621 3.236 4.792 1.00 0.00 C ATOM 153 O GLY A 10 -7.697 3.819 5.874 1.00 0.00 O ATOM 0 H GLY A 10 -7.045 3.490 1.790 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.684 4.911 3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.217 4.081 3.626 1.00 0.00 H new ATOM 157 N ASP A 11 -7.109 2.003 4.691 1.00 0.00 N ATOM 158 CA ASP A 11 -6.604 1.222 5.825 1.00 0.00 C ATOM 159 C ASP A 11 -5.386 1.908 6.468 1.00 0.00 C ATOM 160 O ASP A 11 -4.470 2.343 5.762 1.00 0.00 O ATOM 161 CB ASP A 11 -6.248 -0.202 5.355 1.00 0.00 C ATOM 162 CG ASP A 11 -6.466 -1.255 6.454 1.00 0.00 C ATOM 163 OD1 ASP A 11 -7.585 -1.318 7.017 1.00 0.00 O ATOM 164 OD2 ASP A 11 -5.532 -2.041 6.731 1.00 0.00 O ATOM 0 H ASP A 11 -7.033 1.511 3.801 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.384 1.159 6.584 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.855 -0.457 4.486 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.206 -0.226 5.034 1.00 0.00 H new ATOM 169 N LYS A 12 -5.368 2.021 7.803 1.00 0.00 N ATOM 170 CA LYS A 12 -4.239 2.596 8.549 1.00 0.00 C ATOM 171 C LYS A 12 -3.018 1.678 8.506 1.00 0.00 C ATOM 172 O LYS A 12 -2.949 0.677 9.222 1.00 0.00 O ATOM 173 CB LYS A 12 -4.635 2.953 9.997 1.00 0.00 C ATOM 174 CG LYS A 12 -5.145 4.403 10.075 1.00 0.00 C ATOM 175 CD LYS A 12 -5.061 4.997 11.491 1.00 0.00 C ATOM 176 CE LYS A 12 -5.006 6.528 11.378 1.00 0.00 C ATOM 177 NZ LYS A 12 -5.406 7.204 12.639 1.00 0.00 N ATOM 0 H LYS A 12 -6.138 1.716 8.398 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.963 3.528 8.055 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.409 2.270 10.347 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.776 2.827 10.657 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.564 5.023 9.392 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.180 4.437 9.734 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.925 4.692 12.081 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.176 4.624 12.006 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.995 6.834 11.110 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.662 6.854 10.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.353 8.235 12.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.381 6.935 12.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.765 6.916 13.406 1.00 0.00 H new ATOM 191 N VAL A 13 -2.032 2.046 7.693 1.00 0.00 N ATOM 192 CA VAL A 13 -0.761 1.326 7.522 1.00 0.00 C ATOM 193 C VAL A 13 0.427 2.189 7.950 1.00 0.00 C ATOM 194 O VAL A 13 0.340 3.414 7.959 1.00 0.00 O ATOM 195 CB VAL A 13 -0.610 0.798 6.080 1.00 0.00 C ATOM 196 CG1 VAL A 13 -1.760 -0.150 5.735 1.00 0.00 C ATOM 197 CG2 VAL A 13 -0.568 1.884 4.999 1.00 0.00 C ATOM 0 H VAL A 13 -2.092 2.882 7.112 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.774 0.457 8.180 1.00 0.00 H new ATOM 0 HB VAL A 13 0.355 0.292 6.076 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.638 -0.513 4.715 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.754 -0.995 6.424 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.708 0.382 5.820 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.460 1.418 4.019 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.492 2.461 5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.279 2.546 5.181 1.00 0.00 H new ATOM 207 N VAL A 14 1.547 1.560 8.306 1.00 0.00 N ATOM 208 CA VAL A 14 2.822 2.211 8.651 1.00 0.00 C ATOM 209 C VAL A 14 3.793 2.094 7.482 1.00 0.00 C ATOM 210 O VAL A 14 4.030 1.002 6.963 1.00 0.00 O ATOM 211 CB VAL A 14 3.428 1.667 9.967 1.00 0.00 C ATOM 212 CG1 VAL A 14 3.368 0.143 10.088 1.00 0.00 C ATOM 213 CG2 VAL A 14 4.889 2.095 10.176 1.00 0.00 C ATOM 0 H VAL A 14 1.599 0.543 8.366 1.00 0.00 H new ATOM 0 HA VAL A 14 2.624 3.267 8.834 1.00 0.00 H new ATOM 0 HB VAL A 14 2.797 2.111 10.737 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.811 -0.164 11.035 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.329 -0.184 10.050 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.921 -0.309 9.265 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.258 1.683 11.115 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.498 1.723 9.352 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.948 3.183 10.209 1.00 0.00 H new ATOM 223 N LEU A 15 4.357 3.234 7.073 1.00 0.00 N ATOM 224 CA LEU A 15 5.386 3.323 6.040 1.00 0.00 C ATOM 225 C LEU A 15 6.401 4.430 6.389 1.00 0.00 C ATOM 226 O LEU A 15 6.091 5.610 6.208 1.00 0.00 O ATOM 227 CB LEU A 15 4.697 3.551 4.684 1.00 0.00 C ATOM 228 CG LEU A 15 5.617 3.472 3.448 1.00 0.00 C ATOM 229 CD1 LEU A 15 6.657 2.350 3.501 1.00 0.00 C ATOM 230 CD2 LEU A 15 4.772 3.210 2.202 1.00 0.00 C ATOM 0 H LEU A 15 4.102 4.142 7.463 1.00 0.00 H new ATOM 0 HA LEU A 15 5.955 2.395 5.980 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.903 2.813 4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.221 4.532 4.699 1.00 0.00 H new ATOM 0 HG LEU A 15 6.143 4.427 3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.259 2.369 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.303 2.493 4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.151 1.388 3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.421 3.154 1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.236 2.268 2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.056 4.021 2.071 1.00 0.00 H new ATOM 242 N PRO A 16 7.584 4.109 6.944 1.00 0.00 N ATOM 243 CA PRO A 16 8.613 5.112 7.231 1.00 0.00 C ATOM 244 C PRO A 16 9.231 5.702 5.938 1.00 0.00 C ATOM 245 O PRO A 16 9.152 5.074 4.877 1.00 0.00 O ATOM 246 CB PRO A 16 9.642 4.385 8.103 1.00 0.00 C ATOM 247 CG PRO A 16 9.506 2.920 7.691 1.00 0.00 C ATOM 248 CD PRO A 16 8.022 2.783 7.360 1.00 0.00 C ATOM 0 HA PRO A 16 8.202 5.981 7.746 1.00 0.00 H new ATOM 0 HB2 PRO A 16 10.651 4.758 7.925 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.434 4.522 9.164 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.133 2.684 6.831 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.802 2.247 8.496 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.864 2.052 6.567 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.458 2.439 8.227 1.00 0.00 H new ATOM 256 N PRO A 17 9.862 6.895 6.002 1.00 0.00 N ATOM 257 CA PRO A 17 10.046 7.737 7.193 1.00 0.00 C ATOM 258 C PRO A 17 8.783 8.514 7.623 1.00 0.00 C ATOM 259 O PRO A 17 8.767 9.091 8.711 1.00 0.00 O ATOM 260 CB PRO A 17 11.178 8.698 6.812 1.00 0.00 C ATOM 261 CG PRO A 17 10.975 8.895 5.311 1.00 0.00 C ATOM 262 CD PRO A 17 10.513 7.512 4.852 1.00 0.00 C ATOM 0 HA PRO A 17 10.274 7.117 8.060 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.107 9.640 7.355 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.158 8.275 7.034 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.230 9.662 5.100 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.896 9.200 4.814 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.824 7.592 4.011 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.358 6.912 4.515 1.00 0.00 H new ATOM 270 N TYR A 18 7.715 8.504 6.814 1.00 0.00 N ATOM 271 CA TYR A 18 6.430 9.160 7.105 1.00 0.00 C ATOM 272 C TYR A 18 5.770 8.629 8.393 1.00 0.00 C ATOM 273 O TYR A 18 5.205 9.391 9.177 1.00 0.00 O ATOM 274 CB TYR A 18 5.476 8.980 5.908 1.00 0.00 C ATOM 275 CG TYR A 18 6.103 9.186 4.538 1.00 0.00 C ATOM 276 CD1 TYR A 18 6.424 10.487 4.105 1.00 0.00 C ATOM 277 CD2 TYR A 18 6.355 8.082 3.694 1.00 0.00 C ATOM 278 CE1 TYR A 18 6.974 10.687 2.824 1.00 0.00 C ATOM 279 CE2 TYR A 18 6.898 8.278 2.407 1.00 0.00 C ATOM 280 CZ TYR A 18 7.204 9.586 1.971 1.00 0.00 C ATOM 281 OH TYR A 18 7.720 9.798 0.729 1.00 0.00 O ATOM 0 H TYR A 18 7.720 8.026 5.913 1.00 0.00 H new ATOM 0 HA TYR A 18 6.633 10.219 7.267 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.055 7.976 5.949 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.646 9.678 6.018 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.248 11.331 4.755 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.131 7.082 4.036 1.00 0.00 H new ATOM 0 HE1 TYR A 18 7.220 11.685 2.493 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.079 7.433 1.759 1.00 0.00 H new ATOM 0 HH TYR A 18 7.820 8.940 0.266 1.00 0.00 H new ATOM 291 N GLY A 19 5.850 7.312 8.613 1.00 0.00 N ATOM 292 CA GLY A 19 5.394 6.592 9.811 1.00 0.00 C ATOM 293 C GLY A 19 3.935 6.122 9.748 1.00 0.00 C ATOM 294 O GLY A 19 3.573 5.150 10.408 1.00 0.00 O ATOM 0 H GLY A 19 6.258 6.683 7.921 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.036 5.725 9.966 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.518 7.240 10.679 1.00 0.00 H new ATOM 298 N VAL A 20 3.102 6.765 8.926 1.00 0.00 N ATOM 299 CA VAL A 20 1.702 6.399 8.649 1.00 0.00 C ATOM 300 C VAL A 20 1.401 6.726 7.186 1.00 0.00 C ATOM 301 O VAL A 20 1.693 7.832 6.729 1.00 0.00 O ATOM 302 CB VAL A 20 0.701 7.156 9.557 1.00 0.00 C ATOM 303 CG1 VAL A 20 -0.738 6.677 9.316 1.00 0.00 C ATOM 304 CG2 VAL A 20 0.988 6.978 11.054 1.00 0.00 C ATOM 0 H VAL A 20 3.394 7.594 8.409 1.00 0.00 H new ATOM 0 HA VAL A 20 1.582 5.335 8.853 1.00 0.00 H new ATOM 0 HB VAL A 20 0.820 8.206 9.291 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.418 7.226 9.967 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.011 6.853 8.275 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.808 5.611 9.534 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.251 7.533 11.634 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.931 5.921 11.312 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.986 7.354 11.280 1.00 0.00 H new ATOM 314 N GLY A 21 0.815 5.777 6.458 1.00 0.00 N ATOM 315 CA GLY A 21 0.353 5.919 5.077 1.00 0.00 C ATOM 316 C GLY A 21 -1.113 5.519 4.897 1.00 0.00 C ATOM 317 O GLY A 21 -1.718 4.899 5.776 1.00 0.00 O ATOM 0 H GLY A 21 0.641 4.844 6.832 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.484 6.954 4.760 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.975 5.305 4.426 1.00 0.00 H new ATOM 321 N VAL A 22 -1.677 5.861 3.736 1.00 0.00 N ATOM 322 CA VAL A 22 -3.056 5.543 3.336 1.00 0.00 C ATOM 323 C VAL A 22 -3.076 4.991 1.913 1.00 0.00 C ATOM 324 O VAL A 22 -2.745 5.686 0.952 1.00 0.00 O ATOM 325 CB VAL A 22 -3.982 6.769 3.461 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.371 6.483 2.885 1.00 0.00 C ATOM 327 CG2 VAL A 22 -4.180 7.165 4.929 1.00 0.00 C ATOM 0 H VAL A 22 -1.171 6.385 3.022 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.436 4.780 4.016 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.498 7.573 2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.998 7.369 2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.281 6.225 1.830 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.825 5.652 3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.837 8.033 4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.628 6.333 5.473 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.215 7.411 5.373 1.00 0.00 H new ATOM 337 N VAL A 23 -3.455 3.720 1.779 1.00 0.00 N ATOM 338 CA VAL A 23 -3.636 3.052 0.481 1.00 0.00 C ATOM 339 C VAL A 23 -4.810 3.699 -0.270 1.00 0.00 C ATOM 340 O VAL A 23 -5.901 3.820 0.286 1.00 0.00 O ATOM 341 CB VAL A 23 -3.907 1.548 0.676 1.00 0.00 C ATOM 342 CG1 VAL A 23 -3.982 0.832 -0.680 1.00 0.00 C ATOM 343 CG2 VAL A 23 -2.873 0.859 1.589 1.00 0.00 C ATOM 0 H VAL A 23 -3.648 3.114 2.576 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.722 3.165 -0.101 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.870 1.472 1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.174 -0.229 -0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.788 1.262 -1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.037 0.954 -1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.120 -0.198 1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.879 0.961 1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.888 1.327 2.573 1.00 0.00 H new ATOM 353 N ALA A 24 -4.607 4.108 -1.523 1.00 0.00 N ATOM 354 CA ALA A 24 -5.640 4.686 -2.388 1.00 0.00 C ATOM 355 C ALA A 24 -6.312 3.633 -3.297 1.00 0.00 C ATOM 356 O ALA A 24 -7.538 3.610 -3.422 1.00 0.00 O ATOM 357 CB ALA A 24 -5.002 5.809 -3.215 1.00 0.00 C ATOM 0 H ALA A 24 -3.696 4.045 -1.978 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.438 5.086 -1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.754 6.253 -3.867 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.604 6.572 -2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.193 5.400 -3.821 1.00 0.00 H new ATOM 363 N GLY A 25 -5.516 2.758 -3.922 1.00 0.00 N ATOM 364 CA GLY A 25 -5.972 1.708 -4.840 1.00 0.00 C ATOM 365 C GLY A 25 -4.822 0.945 -5.506 1.00 0.00 C ATOM 366 O GLY A 25 -3.646 1.254 -5.296 1.00 0.00 O ATOM 0 H GLY A 25 -4.503 2.761 -3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.598 1.003 -4.293 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.597 2.156 -5.612 1.00 0.00 H new ATOM 370 N ILE A 26 -5.172 -0.068 -6.306 1.00 0.00 N ATOM 371 CA ILE A 26 -4.236 -0.917 -7.056 1.00 0.00 C ATOM 372 C ILE A 26 -3.939 -0.270 -8.416 1.00 0.00 C ATOM 373 O ILE A 26 -4.803 -0.226 -9.295 1.00 0.00 O ATOM 374 CB ILE A 26 -4.775 -2.361 -7.236 1.00 0.00 C ATOM 375 CG1 ILE A 26 -4.896 -3.160 -5.919 1.00 0.00 C ATOM 376 CG2 ILE A 26 -3.798 -3.152 -8.124 1.00 0.00 C ATOM 377 CD1 ILE A 26 -6.040 -2.743 -4.990 1.00 0.00 C ATOM 0 H ILE A 26 -6.147 -0.329 -6.455 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.313 -0.997 -6.482 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.770 -2.250 -7.667 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.019 -4.215 -6.166 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.957 -3.068 -5.373 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.168 -4.169 -8.256 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.715 -2.666 -9.096 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.817 -3.182 -7.649 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.031 -3.369 -4.098 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.913 -1.699 -4.702 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.992 -2.864 -5.508 1.00 0.00 H new ATOM 389 N ALA A 27 -2.713 0.223 -8.591 1.00 0.00 N ATOM 390 CA ALA A 27 -2.217 0.778 -9.850 1.00 0.00 C ATOM 391 C ALA A 27 -1.261 -0.224 -10.523 1.00 0.00 C ATOM 392 O ALA A 27 -0.199 -0.538 -9.983 1.00 0.00 O ATOM 393 CB ALA A 27 -1.523 2.112 -9.542 1.00 0.00 C ATOM 0 H ALA A 27 -2.020 0.248 -7.843 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.036 0.958 -10.547 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.144 2.547 -10.467 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.237 2.797 -9.085 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.694 1.941 -8.855 1.00 0.00 H new ATOM 399 N GLN A 28 -1.621 -0.743 -11.700 1.00 0.00 N ATOM 400 CA GLN A 28 -0.747 -1.623 -12.484 1.00 0.00 C ATOM 401 C GLN A 28 0.301 -0.814 -13.269 1.00 0.00 C ATOM 402 O GLN A 28 -0.050 -0.067 -14.188 1.00 0.00 O ATOM 403 CB GLN A 28 -1.558 -2.550 -13.403 1.00 0.00 C ATOM 404 CG GLN A 28 -2.572 -3.409 -12.624 1.00 0.00 C ATOM 405 CD GLN A 28 -2.800 -4.765 -13.291 1.00 0.00 C ATOM 406 OE1 GLN A 28 -3.576 -4.912 -14.226 1.00 0.00 O ATOM 407 NE2 GLN A 28 -2.129 -5.805 -12.840 1.00 0.00 N ATOM 0 H GLN A 28 -2.526 -0.566 -12.137 1.00 0.00 H new ATOM 0 HA GLN A 28 -0.207 -2.260 -11.784 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.087 -1.950 -14.144 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.877 -3.203 -13.949 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.213 -3.561 -11.606 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.520 -2.876 -12.552 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.480 -5.694 -12.061 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.259 -6.721 -13.270 1.00 0.00 H new ATOM 416 N ARG A 29 1.585 -0.948 -12.910 1.00 0.00 N ATOM 417 CA ARG A 29 2.728 -0.317 -13.601 1.00 0.00 C ATOM 418 C ARG A 29 3.395 -1.271 -14.596 1.00 0.00 C ATOM 419 O ARG A 29 3.487 -2.475 -14.351 1.00 0.00 O ATOM 420 CB ARG A 29 3.773 0.172 -12.580 1.00 0.00 C ATOM 421 CG ARG A 29 3.243 1.261 -11.626 1.00 0.00 C ATOM 422 CD ARG A 29 4.229 2.431 -11.470 1.00 0.00 C ATOM 423 NE ARG A 29 4.335 3.233 -12.710 1.00 0.00 N ATOM 424 CZ ARG A 29 3.503 4.164 -13.143 1.00 0.00 C ATOM 425 NH1 ARG A 29 2.463 4.537 -12.455 1.00 0.00 N ATOM 426 NH2 ARG A 29 3.696 4.745 -14.293 1.00 0.00 N ATOM 0 H ARG A 29 1.870 -1.513 -12.110 1.00 0.00 H new ATOM 0 HA ARG A 29 2.334 0.533 -14.158 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.119 -0.678 -11.991 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.638 0.561 -13.117 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.292 1.638 -12.001 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.048 0.821 -10.648 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.905 3.072 -10.650 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.212 2.044 -11.203 1.00 0.00 H new ATOM 0 HE ARG A 29 5.146 3.045 -13.300 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.269 4.107 -11.550 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.842 5.259 -12.820 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.496 4.483 -14.869 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.047 5.462 -14.617 1.00 0.00 H new ATOM 440 N SER A 30 3.888 -0.720 -15.703 1.00 0.00 N ATOM 441 CA SER A 30 4.657 -1.410 -16.747 1.00 0.00 C ATOM 442 C SER A 30 6.145 -1.505 -16.366 1.00 0.00 C ATOM 443 O SER A 30 6.848 -0.494 -16.278 1.00 0.00 O ATOM 444 CB SER A 30 4.478 -0.686 -18.093 1.00 0.00 C ATOM 445 OG SER A 30 4.604 0.726 -17.965 1.00 0.00 O ATOM 0 H SER A 30 3.758 0.270 -15.911 1.00 0.00 H new ATOM 0 HA SER A 30 4.278 -2.427 -16.844 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.220 -1.052 -18.802 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.498 -0.926 -18.505 1.00 0.00 H new ATOM 0 HG SER A 30 5.361 0.935 -17.379 1.00 0.00 H new ATOM 451 N VAL A 31 6.639 -2.721 -16.109 1.00 0.00 N ATOM 452 CA VAL A 31 8.055 -3.003 -15.794 1.00 0.00 C ATOM 453 C VAL A 31 8.468 -4.378 -16.333 1.00 0.00 C ATOM 454 O VAL A 31 7.655 -5.297 -16.364 1.00 0.00 O ATOM 455 CB VAL A 31 8.295 -2.869 -14.273 1.00 0.00 C ATOM 456 CG1 VAL A 31 7.556 -3.918 -13.434 1.00 0.00 C ATOM 457 CG2 VAL A 31 9.787 -2.904 -13.924 1.00 0.00 C ATOM 0 H VAL A 31 6.058 -3.559 -16.113 1.00 0.00 H new ATOM 0 HA VAL A 31 8.688 -2.268 -16.292 1.00 0.00 H new ATOM 0 HB VAL A 31 7.882 -1.894 -14.016 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.774 -3.759 -12.378 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.483 -3.827 -13.601 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.885 -4.915 -13.726 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.911 -2.807 -12.845 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.216 -3.850 -14.255 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.297 -2.080 -14.423 1.00 0.00 H new ATOM 467 N SER A 32 9.714 -4.543 -16.789 1.00 0.00 N ATOM 468 CA SER A 32 10.244 -5.802 -17.365 1.00 0.00 C ATOM 469 C SER A 32 9.382 -6.418 -18.494 1.00 0.00 C ATOM 470 O SER A 32 9.413 -7.630 -18.723 1.00 0.00 O ATOM 471 CB SER A 32 10.519 -6.825 -16.248 1.00 0.00 C ATOM 472 OG SER A 32 11.413 -6.294 -15.279 1.00 0.00 O ATOM 0 H SER A 32 10.405 -3.793 -16.771 1.00 0.00 H new ATOM 0 HA SER A 32 11.179 -5.531 -17.854 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.581 -7.105 -15.768 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.941 -7.733 -16.678 1.00 0.00 H new ATOM 0 HG SER A 32 11.571 -6.961 -14.579 1.00 0.00 H new ATOM 478 N GLY A 33 8.593 -5.599 -19.202 1.00 0.00 N ATOM 479 CA GLY A 33 7.659 -6.031 -20.253 1.00 0.00 C ATOM 480 C GLY A 33 6.339 -6.645 -19.752 1.00 0.00 C ATOM 481 O GLY A 33 5.603 -7.231 -20.549 1.00 0.00 O ATOM 0 H GLY A 33 8.586 -4.589 -19.056 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.425 -5.173 -20.883 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.163 -6.762 -20.885 1.00 0.00 H new ATOM 485 N VAL A 34 6.024 -6.525 -18.456 1.00 0.00 N ATOM 486 CA VAL A 34 4.815 -7.058 -17.799 1.00 0.00 C ATOM 487 C VAL A 34 4.129 -5.991 -16.932 1.00 0.00 C ATOM 488 O VAL A 34 4.770 -5.077 -16.408 1.00 0.00 O ATOM 489 CB VAL A 34 5.174 -8.338 -17.003 1.00 0.00 C ATOM 490 CG1 VAL A 34 6.209 -8.124 -15.889 1.00 0.00 C ATOM 491 CG2 VAL A 34 3.950 -9.024 -16.386 1.00 0.00 C ATOM 0 H VAL A 34 6.632 -6.031 -17.803 1.00 0.00 H new ATOM 0 HA VAL A 34 4.087 -7.335 -18.561 1.00 0.00 H new ATOM 0 HB VAL A 34 5.616 -8.980 -17.765 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.401 -9.071 -15.384 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.137 -7.749 -16.321 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.825 -7.400 -15.170 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.267 -9.914 -15.842 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.455 -8.337 -15.700 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.256 -9.310 -17.177 1.00 0.00 H new ATOM 501 N SER A 35 2.804 -6.073 -16.795 1.00 0.00 N ATOM 502 CA SER A 35 2.022 -5.197 -15.917 1.00 0.00 C ATOM 503 C SER A 35 1.967 -5.811 -14.512 1.00 0.00 C ATOM 504 O SER A 35 1.487 -6.935 -14.330 1.00 0.00 O ATOM 505 CB SER A 35 0.616 -4.957 -16.489 1.00 0.00 C ATOM 506 OG SER A 35 -0.053 -6.166 -16.821 1.00 0.00 O ATOM 0 H SER A 35 2.237 -6.757 -17.296 1.00 0.00 H new ATOM 0 HA SER A 35 2.506 -4.222 -15.853 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.021 -4.405 -15.761 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.692 -4.332 -17.379 1.00 0.00 H new ATOM 0 HG SER A 35 0.179 -6.859 -16.168 1.00 0.00 H new ATOM 512 N ARG A 36 2.473 -5.092 -13.500 1.00 0.00 N ATOM 513 CA ARG A 36 2.459 -5.536 -12.092 1.00 0.00 C ATOM 514 C ARG A 36 1.648 -4.570 -11.248 1.00 0.00 C ATOM 515 O ARG A 36 1.803 -3.358 -11.367 1.00 0.00 O ATOM 516 CB ARG A 36 3.883 -5.673 -11.530 1.00 0.00 C ATOM 517 CG ARG A 36 4.797 -6.486 -12.451 1.00 0.00 C ATOM 518 CD ARG A 36 6.080 -6.952 -11.742 1.00 0.00 C ATOM 519 NE ARG A 36 6.297 -8.402 -11.926 1.00 0.00 N ATOM 520 CZ ARG A 36 7.125 -9.182 -11.253 1.00 0.00 C ATOM 521 NH1 ARG A 36 7.938 -8.713 -10.348 1.00 0.00 N ATOM 522 NH2 ARG A 36 7.157 -10.462 -11.484 1.00 0.00 N ATOM 0 H ARG A 36 2.907 -4.179 -13.633 1.00 0.00 H new ATOM 0 HA ARG A 36 1.993 -6.521 -12.055 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.310 -4.681 -11.382 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.840 -6.150 -10.551 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.254 -7.355 -12.822 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.063 -5.883 -13.319 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.935 -6.401 -12.134 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.014 -6.724 -10.678 1.00 0.00 H new ATOM 0 HE ARG A 36 5.745 -8.852 -12.656 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.948 -7.714 -10.140 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.564 -9.345 -9.848 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.541 -10.869 -12.188 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.798 -11.059 -10.961 1.00 0.00 H new ATOM 536 N ALA A 37 0.782 -5.108 -10.399 1.00 0.00 N ATOM 537 CA ALA A 37 -0.032 -4.328 -9.476 1.00 0.00 C ATOM 538 C ALA A 37 0.803 -3.779 -8.307 1.00 0.00 C ATOM 539 O ALA A 37 1.624 -4.486 -7.715 1.00 0.00 O ATOM 540 CB ALA A 37 -1.191 -5.215 -9.013 1.00 0.00 C ATOM 0 H ALA A 37 0.623 -6.113 -10.331 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.433 -3.446 -9.975 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.821 -4.658 -8.319 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.783 -5.519 -9.876 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.795 -6.100 -8.514 1.00 0.00 H new ATOM 546 N TYR A 38 0.551 -2.516 -7.962 1.00 0.00 N ATOM 547 CA TYR A 38 1.195 -1.791 -6.875 1.00 0.00 C ATOM 548 C TYR A 38 0.186 -0.930 -6.103 1.00 0.00 C ATOM 549 O TYR A 38 -0.541 -0.131 -6.698 1.00 0.00 O ATOM 550 CB TYR A 38 2.310 -0.908 -7.453 1.00 0.00 C ATOM 551 CG TYR A 38 3.558 -1.646 -7.907 1.00 0.00 C ATOM 552 CD1 TYR A 38 4.514 -2.026 -6.948 1.00 0.00 C ATOM 553 CD2 TYR A 38 3.793 -1.927 -9.268 1.00 0.00 C ATOM 554 CE1 TYR A 38 5.695 -2.685 -7.335 1.00 0.00 C ATOM 555 CE2 TYR A 38 4.987 -2.560 -9.666 1.00 0.00 C ATOM 556 CZ TYR A 38 5.936 -2.955 -8.697 1.00 0.00 C ATOM 557 OH TYR A 38 7.082 -3.592 -9.065 1.00 0.00 O ATOM 0 H TYR A 38 -0.138 -1.949 -8.456 1.00 0.00 H new ATOM 0 HA TYR A 38 1.617 -2.512 -6.175 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.908 -0.354 -8.301 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.596 -0.174 -6.699 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.340 -1.810 -5.904 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.055 -1.656 -10.009 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.416 -2.984 -6.589 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.177 -2.743 -10.713 1.00 0.00 H new ATOM 0 HH TYR A 38 7.096 -3.704 -10.039 1.00 0.00 H new ATOM 567 N TYR A 39 0.122 -1.083 -4.778 1.00 0.00 N ATOM 568 CA TYR A 39 -0.721 -0.249 -3.914 1.00 0.00 C ATOM 569 C TYR A 39 -0.174 1.183 -3.869 1.00 0.00 C ATOM 570 O TYR A 39 0.966 1.385 -3.447 1.00 0.00 O ATOM 571 CB TYR A 39 -0.761 -0.821 -2.488 1.00 0.00 C ATOM 572 CG TYR A 39 -1.188 -2.268 -2.361 1.00 0.00 C ATOM 573 CD1 TYR A 39 -2.347 -2.729 -3.014 1.00 0.00 C ATOM 574 CD2 TYR A 39 -0.422 -3.154 -1.579 1.00 0.00 C ATOM 575 CE1 TYR A 39 -2.729 -4.079 -2.907 1.00 0.00 C ATOM 576 CE2 TYR A 39 -0.812 -4.498 -1.456 1.00 0.00 C ATOM 577 CZ TYR A 39 -1.970 -4.966 -2.112 1.00 0.00 C ATOM 578 OH TYR A 39 -2.323 -6.275 -2.013 1.00 0.00 O ATOM 0 H TYR A 39 0.654 -1.790 -4.272 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.731 -0.241 -4.325 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.231 -0.717 -2.049 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.439 -0.210 -1.892 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.944 -2.045 -3.598 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.465 -2.800 -1.074 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.602 -4.437 -3.432 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.223 -5.176 -0.857 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.578 -6.787 -1.635 1.00 0.00 H new ATOM 588 N GLN A 40 -0.954 2.172 -4.313 1.00 0.00 N ATOM 589 CA GLN A 40 -0.589 3.590 -4.225 1.00 0.00 C ATOM 590 C GLN A 40 -0.803 4.103 -2.788 1.00 0.00 C ATOM 591 O GLN A 40 -1.938 4.365 -2.392 1.00 0.00 O ATOM 592 CB GLN A 40 -1.423 4.386 -5.249 1.00 0.00 C ATOM 593 CG GLN A 40 -0.994 5.861 -5.330 1.00 0.00 C ATOM 594 CD GLN A 40 -1.841 6.648 -6.330 1.00 0.00 C ATOM 595 OE1 GLN A 40 -1.725 6.501 -7.538 1.00 0.00 O ATOM 596 NE2 GLN A 40 -2.703 7.535 -5.876 1.00 0.00 N ATOM 0 H GLN A 40 -1.863 2.011 -4.747 1.00 0.00 H new ATOM 0 HA GLN A 40 0.466 3.724 -4.462 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.323 3.926 -6.232 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.477 4.331 -4.977 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.078 6.318 -4.344 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.055 5.918 -5.619 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.813 7.671 -4.871 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.260 8.085 -6.529 1.00 0.00 H new ATOM 605 N VAL A 41 0.263 4.253 -1.999 1.00 0.00 N ATOM 606 CA VAL A 41 0.207 4.811 -0.634 1.00 0.00 C ATOM 607 C VAL A 41 0.421 6.322 -0.680 1.00 0.00 C ATOM 608 O VAL A 41 1.534 6.774 -0.934 1.00 0.00 O ATOM 609 CB VAL A 41 1.237 4.171 0.314 1.00 0.00 C ATOM 610 CG1 VAL A 41 0.905 4.529 1.769 1.00 0.00 C ATOM 611 CG2 VAL A 41 1.254 2.647 0.214 1.00 0.00 C ATOM 0 H VAL A 41 1.205 3.989 -2.288 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.782 4.582 -0.238 1.00 0.00 H new ATOM 0 HB VAL A 41 2.211 4.560 0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.639 4.072 2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.929 5.612 1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.089 4.158 2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.997 2.245 0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.270 2.254 0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.506 2.352 -0.805 1.00 0.00 H new ATOM 621 N ASP A 42 -0.637 7.103 -0.474 1.00 0.00 N ATOM 622 CA ASP A 42 -0.596 8.567 -0.380 1.00 0.00 C ATOM 623 C ASP A 42 -0.479 9.014 1.092 1.00 0.00 C ATOM 624 O ASP A 42 -1.123 8.445 1.980 1.00 0.00 O ATOM 625 CB ASP A 42 -1.866 9.119 -1.045 1.00 0.00 C ATOM 626 CG ASP A 42 -1.893 10.655 -1.098 1.00 0.00 C ATOM 627 OD1 ASP A 42 -1.225 11.237 -1.984 1.00 0.00 O ATOM 628 OD2 ASP A 42 -2.612 11.276 -0.279 1.00 0.00 O ATOM 0 H ASP A 42 -1.578 6.726 -0.364 1.00 0.00 H new ATOM 0 HA ASP A 42 0.281 8.959 -0.895 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.941 8.724 -2.058 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.740 8.764 -0.499 1.00 0.00 H new ATOM 633 N PHE A 43 0.345 10.031 1.360 1.00 0.00 N ATOM 634 CA PHE A 43 0.615 10.555 2.708 1.00 0.00 C ATOM 635 C PHE A 43 0.094 11.998 2.860 1.00 0.00 C ATOM 636 O PHE A 43 0.153 12.765 1.893 1.00 0.00 O ATOM 637 CB PHE A 43 2.126 10.504 2.995 1.00 0.00 C ATOM 638 CG PHE A 43 2.797 9.217 2.557 1.00 0.00 C ATOM 639 CD1 PHE A 43 2.731 8.068 3.360 1.00 0.00 C ATOM 640 CD2 PHE A 43 3.433 9.153 1.306 1.00 0.00 C ATOM 641 CE1 PHE A 43 3.293 6.864 2.918 1.00 0.00 C ATOM 642 CE2 PHE A 43 4.004 7.952 0.858 1.00 0.00 C ATOM 643 CZ PHE A 43 3.932 6.808 1.668 1.00 0.00 C ATOM 0 H PHE A 43 0.857 10.527 0.630 1.00 0.00 H new ATOM 0 HA PHE A 43 0.089 9.930 3.429 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.609 11.342 2.492 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.286 10.639 4.065 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.245 8.113 4.323 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.483 10.035 0.684 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.235 5.981 3.537 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.495 7.908 -0.103 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.370 5.881 1.329 1.00 0.00 H new ATOM 653 N PRO A 44 -0.377 12.414 4.053 1.00 0.00 N ATOM 654 CA PRO A 44 -0.820 13.791 4.280 1.00 0.00 C ATOM 655 C PRO A 44 0.351 14.792 4.240 1.00 0.00 C ATOM 656 O PRO A 44 1.519 14.432 4.417 1.00 0.00 O ATOM 657 CB PRO A 44 -1.525 13.766 5.640 1.00 0.00 C ATOM 658 CG PRO A 44 -0.835 12.621 6.380 1.00 0.00 C ATOM 659 CD PRO A 44 -0.526 11.621 5.265 1.00 0.00 C ATOM 0 HA PRO A 44 -1.491 14.133 3.492 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.410 14.712 6.169 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.595 13.588 5.534 1.00 0.00 H new ATOM 0 HG2 PRO A 44 0.072 12.956 6.884 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.481 12.187 7.143 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.385 11.062 5.482 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.329 10.892 5.159 1.00 0.00 H new ATOM 667 N GLY A 45 0.034 16.071 4.014 1.00 0.00 N ATOM 668 CA GLY A 45 0.992 17.184 3.937 1.00 0.00 C ATOM 669 C GLY A 45 1.681 17.376 2.574 1.00 0.00 C ATOM 670 O GLY A 45 2.289 18.424 2.344 1.00 0.00 O ATOM 0 H GLY A 45 -0.930 16.373 3.874 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.471 18.106 4.194 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.761 17.031 4.694 1.00 0.00 H new ATOM 674 N SER A 46 1.584 16.405 1.658 1.00 0.00 N ATOM 675 CA SER A 46 2.107 16.468 0.282 1.00 0.00 C ATOM 676 C SER A 46 1.326 15.547 -0.678 1.00 0.00 C ATOM 677 O SER A 46 0.261 15.028 -0.333 1.00 0.00 O ATOM 678 CB SER A 46 3.611 16.131 0.276 1.00 0.00 C ATOM 679 OG SER A 46 3.831 14.736 0.417 1.00 0.00 O ATOM 0 H SER A 46 1.122 15.518 1.860 1.00 0.00 H new ATOM 0 HA SER A 46 1.971 17.486 -0.083 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.059 16.479 -0.655 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.108 16.663 1.088 1.00 0.00 H new ATOM 0 HG SER A 46 4.794 14.554 0.408 1.00 0.00 H new ATOM 685 N ARG A 47 1.835 15.372 -1.906 1.00 0.00 N ATOM 686 CA ARG A 47 1.324 14.461 -2.954 1.00 0.00 C ATOM 687 C ARG A 47 2.258 13.263 -3.184 1.00 0.00 C ATOM 688 O ARG A 47 2.087 12.525 -4.158 1.00 0.00 O ATOM 689 CB ARG A 47 1.016 15.263 -4.235 1.00 0.00 C ATOM 690 CG ARG A 47 -0.370 15.921 -4.110 1.00 0.00 C ATOM 691 CD ARG A 47 -0.528 17.177 -4.971 1.00 0.00 C ATOM 692 NE ARG A 47 -0.632 16.890 -6.416 1.00 0.00 N ATOM 693 CZ ARG A 47 -1.011 17.751 -7.347 1.00 0.00 C ATOM 694 NH1 ARG A 47 -1.291 18.992 -7.061 1.00 0.00 N ATOM 695 NH2 ARG A 47 -1.124 17.385 -8.591 1.00 0.00 N ATOM 0 H ARG A 47 2.659 15.887 -2.217 1.00 0.00 H new ATOM 0 HA ARG A 47 0.387 14.018 -2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.779 16.025 -4.391 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.040 14.605 -5.103 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.134 15.197 -4.393 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.548 16.180 -3.066 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.418 17.718 -4.651 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.324 17.835 -4.800 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.391 15.948 -6.723 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.220 19.322 -6.098 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.581 19.633 -7.800 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.919 16.423 -8.860 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.417 18.061 -9.297 1.00 0.00 H new ATOM 709 N SER A 48 3.242 13.065 -2.297 1.00 0.00 N ATOM 710 CA SER A 48 4.142 11.908 -2.324 1.00 0.00 C ATOM 711 C SER A 48 3.331 10.613 -2.310 1.00 0.00 C ATOM 712 O SER A 48 2.404 10.450 -1.512 1.00 0.00 O ATOM 713 CB SER A 48 5.110 11.916 -1.134 1.00 0.00 C ATOM 714 OG SER A 48 6.040 12.981 -1.268 1.00 0.00 O ATOM 0 H SER A 48 3.436 13.712 -1.533 1.00 0.00 H new ATOM 0 HA SER A 48 4.728 11.969 -3.241 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.553 12.024 -0.203 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.640 10.965 -1.080 1.00 0.00 H new ATOM 0 HG SER A 48 6.652 12.979 -0.503 1.00 0.00 H new ATOM 720 N LYS A 49 3.695 9.696 -3.207 1.00 0.00 N ATOM 721 CA LYS A 49 3.117 8.359 -3.334 1.00 0.00 C ATOM 722 C LYS A 49 4.217 7.299 -3.267 1.00 0.00 C ATOM 723 O LYS A 49 5.300 7.492 -3.823 1.00 0.00 O ATOM 724 CB LYS A 49 2.253 8.251 -4.608 1.00 0.00 C ATOM 725 CG LYS A 49 2.998 8.642 -5.900 1.00 0.00 C ATOM 726 CD LYS A 49 2.232 8.296 -7.188 1.00 0.00 C ATOM 727 CE LYS A 49 1.654 9.502 -7.939 1.00 0.00 C ATOM 728 NZ LYS A 49 0.537 10.161 -7.214 1.00 0.00 N ATOM 0 H LYS A 49 4.430 9.872 -3.892 1.00 0.00 H new ATOM 0 HA LYS A 49 2.447 8.176 -2.494 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.891 7.228 -4.704 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.377 8.890 -4.497 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.197 9.714 -5.883 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.965 8.139 -5.917 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.901 7.756 -7.858 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.417 7.618 -6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.447 10.230 -8.110 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.302 9.178 -8.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.189 10.967 -7.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.235 9.479 -7.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.874 10.498 -6.290 1.00 0.00 H new ATOM 742 N ALA A 50 3.935 6.186 -2.599 1.00 0.00 N ATOM 743 CA ALA A 50 4.822 5.028 -2.521 1.00 0.00 C ATOM 744 C ALA A 50 4.100 3.800 -3.088 1.00 0.00 C ATOM 745 O ALA A 50 3.002 3.466 -2.641 1.00 0.00 O ATOM 746 CB ALA A 50 5.276 4.815 -1.078 1.00 0.00 C ATOM 0 H ALA A 50 3.063 6.060 -2.084 1.00 0.00 H new ATOM 0 HA ALA A 50 5.718 5.197 -3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.937 3.950 -1.028 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.810 5.700 -0.730 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.406 4.644 -0.444 1.00 0.00 H new ATOM 752 N TYR A 51 4.688 3.157 -4.094 1.00 0.00 N ATOM 753 CA TYR A 51 4.137 1.975 -4.761 1.00 0.00 C ATOM 754 C TYR A 51 4.606 0.679 -4.078 1.00 0.00 C ATOM 755 O TYR A 51 5.785 0.322 -4.160 1.00 0.00 O ATOM 756 CB TYR A 51 4.570 2.003 -6.237 1.00 0.00 C ATOM 757 CG TYR A 51 3.896 3.073 -7.075 1.00 0.00 C ATOM 758 CD1 TYR A 51 2.534 2.949 -7.419 1.00 0.00 C ATOM 759 CD2 TYR A 51 4.636 4.181 -7.531 1.00 0.00 C ATOM 760 CE1 TYR A 51 1.918 3.921 -8.231 1.00 0.00 C ATOM 761 CE2 TYR A 51 4.023 5.154 -8.341 1.00 0.00 C ATOM 762 CZ TYR A 51 2.665 5.020 -8.706 1.00 0.00 C ATOM 763 OH TYR A 51 2.084 5.940 -9.523 1.00 0.00 O ATOM 0 H TYR A 51 5.586 3.450 -4.480 1.00 0.00 H new ATOM 0 HA TYR A 51 3.049 1.995 -4.693 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.649 2.151 -6.282 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.363 1.029 -6.681 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.962 2.107 -7.059 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.676 4.284 -7.258 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.874 3.825 -8.490 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.592 6.005 -8.685 1.00 0.00 H new ATOM 0 HH TYR A 51 2.739 6.631 -9.756 1.00 0.00 H new ATOM 773 N VAL A 52 3.697 -0.030 -3.401 1.00 0.00 N ATOM 774 CA VAL A 52 4.003 -1.284 -2.677 1.00 0.00 C ATOM 775 C VAL A 52 3.622 -2.524 -3.502 1.00 0.00 C ATOM 776 O VAL A 52 2.473 -2.609 -3.941 1.00 0.00 O ATOM 777 CB VAL A 52 3.301 -1.316 -1.308 1.00 0.00 C ATOM 778 CG1 VAL A 52 3.529 -2.641 -0.578 1.00 0.00 C ATOM 779 CG2 VAL A 52 3.792 -0.152 -0.433 1.00 0.00 C ATOM 0 H VAL A 52 2.717 0.247 -3.335 1.00 0.00 H new ATOM 0 HA VAL A 52 5.081 -1.308 -2.516 1.00 0.00 H new ATOM 0 HB VAL A 52 2.231 -1.214 -1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.016 -2.620 0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.137 -3.460 -1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.597 -2.788 -0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.288 -0.185 0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.868 -0.238 -0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.568 0.794 -0.927 1.00 0.00 H new ATOM 789 N PRO A 53 4.539 -3.493 -3.721 1.00 0.00 N ATOM 790 CA PRO A 53 4.264 -4.700 -4.506 1.00 0.00 C ATOM 791 C PRO A 53 3.229 -5.600 -3.824 1.00 0.00 C ATOM 792 O PRO A 53 3.404 -5.993 -2.671 1.00 0.00 O ATOM 793 CB PRO A 53 5.613 -5.420 -4.647 1.00 0.00 C ATOM 794 CG PRO A 53 6.408 -4.945 -3.433 1.00 0.00 C ATOM 795 CD PRO A 53 5.917 -3.513 -3.241 1.00 0.00 C ATOM 0 HA PRO A 53 3.838 -4.446 -5.476 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.490 -6.503 -4.646 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.112 -5.156 -5.580 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.211 -5.560 -2.555 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.482 -4.983 -3.614 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.969 -3.220 -2.192 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.535 -2.810 -3.800 1.00 0.00 H new ATOM 803 N VAL A 54 2.175 -5.983 -4.550 1.00 0.00 N ATOM 804 CA VAL A 54 1.133 -6.901 -4.046 1.00 0.00 C ATOM 805 C VAL A 54 1.644 -8.318 -3.732 1.00 0.00 C ATOM 806 O VAL A 54 1.028 -9.038 -2.947 1.00 0.00 O ATOM 807 CB VAL A 54 -0.059 -6.991 -5.017 1.00 0.00 C ATOM 808 CG1 VAL A 54 -0.701 -5.620 -5.258 1.00 0.00 C ATOM 809 CG2 VAL A 54 0.321 -7.578 -6.382 1.00 0.00 C ATOM 0 H VAL A 54 2.014 -5.668 -5.507 1.00 0.00 H new ATOM 0 HA VAL A 54 0.809 -6.461 -3.103 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.767 -7.660 -4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.538 -5.726 -5.948 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.060 -5.215 -4.312 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.038 -4.942 -5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.562 -7.615 -7.021 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.081 -6.951 -6.849 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.714 -8.586 -6.248 1.00 0.00 H new ATOM 819 N GLU A 55 2.767 -8.729 -4.330 1.00 0.00 N ATOM 820 CA GLU A 55 3.384 -10.054 -4.147 1.00 0.00 C ATOM 821 C GLU A 55 4.035 -10.209 -2.765 1.00 0.00 C ATOM 822 O GLU A 55 3.853 -11.228 -2.093 1.00 0.00 O ATOM 823 CB GLU A 55 4.460 -10.295 -5.218 1.00 0.00 C ATOM 824 CG GLU A 55 3.913 -10.199 -6.646 1.00 0.00 C ATOM 825 CD GLU A 55 4.973 -10.623 -7.683 1.00 0.00 C ATOM 826 OE1 GLU A 55 6.071 -10.016 -7.724 1.00 0.00 O ATOM 827 OE2 GLU A 55 4.711 -11.563 -8.473 1.00 0.00 O ATOM 0 H GLU A 55 3.289 -8.135 -4.974 1.00 0.00 H new ATOM 0 HA GLU A 55 2.581 -10.785 -4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.261 -9.566 -5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.900 -11.281 -5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.032 -10.833 -6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.593 -9.177 -6.847 1.00 0.00 H new ATOM 834 N ALA A 56 4.796 -9.193 -2.348 1.00 0.00 N ATOM 835 CA ALA A 56 5.494 -9.145 -1.065 1.00 0.00 C ATOM 836 C ALA A 56 5.395 -7.739 -0.430 1.00 0.00 C ATOM 837 O ALA A 56 6.401 -7.033 -0.314 1.00 0.00 O ATOM 838 CB ALA A 56 6.942 -9.606 -1.304 1.00 0.00 C ATOM 0 H ALA A 56 4.946 -8.357 -2.913 1.00 0.00 H new ATOM 0 HA ALA A 56 5.030 -9.815 -0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.492 -9.582 -0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.940 -10.623 -1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.422 -8.941 -2.022 1.00 0.00 H new ATOM 844 N PRO A 57 4.205 -7.329 0.052 1.00 0.00 N ATOM 845 CA PRO A 57 4.004 -5.980 0.576 1.00 0.00 C ATOM 846 C PRO A 57 4.704 -5.784 1.927 1.00 0.00 C ATOM 847 O PRO A 57 5.256 -4.720 2.192 1.00 0.00 O ATOM 848 CB PRO A 57 2.485 -5.801 0.643 1.00 0.00 C ATOM 849 CG PRO A 57 1.952 -7.220 0.824 1.00 0.00 C ATOM 850 CD PRO A 57 2.941 -8.055 0.010 1.00 0.00 C ATOM 0 HA PRO A 57 4.452 -5.217 -0.060 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.195 -5.157 1.474 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.097 -5.342 -0.266 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.938 -7.517 1.873 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.933 -7.321 0.451 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.050 -9.054 0.433 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.596 -8.179 -1.016 1.00 0.00 H new ATOM 858 N HIS A 58 4.768 -6.829 2.761 1.00 0.00 N ATOM 859 CA HIS A 58 5.497 -6.819 4.039 1.00 0.00 C ATOM 860 C HIS A 58 7.028 -6.754 3.877 1.00 0.00 C ATOM 861 O HIS A 58 7.710 -6.257 4.772 1.00 0.00 O ATOM 862 CB HIS A 58 5.060 -8.025 4.892 1.00 0.00 C ATOM 863 CG HIS A 58 5.538 -9.362 4.371 1.00 0.00 C ATOM 864 ND1 HIS A 58 4.865 -10.191 3.488 1.00 0.00 N ATOM 865 CD2 HIS A 58 6.723 -9.959 4.698 1.00 0.00 C ATOM 866 CE1 HIS A 58 5.650 -11.266 3.264 1.00 0.00 C ATOM 867 NE2 HIS A 58 6.781 -11.148 3.992 1.00 0.00 N ATOM 0 H HIS A 58 4.309 -7.719 2.566 1.00 0.00 H new ATOM 0 HA HIS A 58 5.233 -5.897 4.557 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.432 -7.890 5.908 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.972 -8.039 4.950 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.471 -9.576 5.377 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.411 -12.089 2.607 1.00 0.00 H new ATOM 0 HE2 HIS A 58 7.547 -11.820 4.017 1.00 0.00 H new ATOM 876 N SER A 59 7.578 -7.210 2.743 1.00 0.00 N ATOM 877 CA SER A 59 9.027 -7.262 2.462 1.00 0.00 C ATOM 878 C SER A 59 9.684 -5.871 2.444 1.00 0.00 C ATOM 879 O SER A 59 10.773 -5.690 2.993 1.00 0.00 O ATOM 880 CB SER A 59 9.270 -7.987 1.130 1.00 0.00 C ATOM 881 OG SER A 59 10.653 -8.118 0.837 1.00 0.00 O ATOM 0 H SER A 59 7.014 -7.564 1.971 1.00 0.00 H new ATOM 0 HA SER A 59 9.495 -7.815 3.277 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.813 -8.976 1.167 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.780 -7.439 0.325 1.00 0.00 H new ATOM 0 HG SER A 59 10.764 -8.586 -0.017 1.00 0.00 H new ATOM 887 N VAL A 60 9.004 -4.862 1.880 1.00 0.00 N ATOM 888 CA VAL A 60 9.455 -3.451 1.879 1.00 0.00 C ATOM 889 C VAL A 60 9.366 -2.783 3.268 1.00 0.00 C ATOM 890 O VAL A 60 9.942 -1.717 3.489 1.00 0.00 O ATOM 891 CB VAL A 60 8.675 -2.657 0.807 1.00 0.00 C ATOM 892 CG1 VAL A 60 7.207 -2.406 1.176 1.00 0.00 C ATOM 893 CG2 VAL A 60 9.332 -1.326 0.427 1.00 0.00 C ATOM 0 H VAL A 60 8.112 -4.999 1.404 1.00 0.00 H new ATOM 0 HA VAL A 60 10.515 -3.444 1.626 1.00 0.00 H new ATOM 0 HB VAL A 60 8.704 -3.314 -0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.722 -1.844 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.697 -3.360 1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.157 -1.836 2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.728 -0.825 -0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.406 -0.692 1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.330 -1.513 0.030 1.00 0.00 H new ATOM 903 N GLY A 61 8.660 -3.410 4.219 1.00 0.00 N ATOM 904 CA GLY A 61 8.406 -2.913 5.575 1.00 0.00 C ATOM 905 C GLY A 61 6.998 -2.341 5.805 1.00 0.00 C ATOM 906 O GLY A 61 6.703 -1.909 6.919 1.00 0.00 O ATOM 0 H GLY A 61 8.231 -4.321 4.054 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.571 -3.727 6.281 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.138 -2.139 5.805 1.00 0.00 H new ATOM 910 N LEU A 62 6.118 -2.335 4.791 1.00 0.00 N ATOM 911 CA LEU A 62 4.718 -1.909 4.931 1.00 0.00 C ATOM 912 C LEU A 62 3.916 -2.922 5.770 1.00 0.00 C ATOM 913 O LEU A 62 3.766 -4.081 5.375 1.00 0.00 O ATOM 914 CB LEU A 62 4.057 -1.706 3.548 1.00 0.00 C ATOM 915 CG LEU A 62 2.652 -1.076 3.690 1.00 0.00 C ATOM 916 CD1 LEU A 62 2.743 0.434 3.884 1.00 0.00 C ATOM 917 CD2 LEU A 62 1.736 -1.360 2.502 1.00 0.00 C ATOM 0 H LEU A 62 6.361 -2.628 3.845 1.00 0.00 H new ATOM 0 HA LEU A 62 4.713 -0.952 5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.686 -1.064 2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.979 -2.664 3.034 1.00 0.00 H new ATOM 0 HG LEU A 62 2.215 -1.546 4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.740 0.849 3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.314 0.651 4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.240 0.882 3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.767 -0.889 2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.184 -0.958 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.602 -2.436 2.395 1.00 0.00 H new ATOM 929 N ARG A 63 3.374 -2.482 6.910 1.00 0.00 N ATOM 930 CA ARG A 63 2.495 -3.279 7.791 1.00 0.00 C ATOM 931 C ARG A 63 1.280 -2.465 8.244 1.00 0.00 C ATOM 932 O ARG A 63 1.221 -1.253 8.046 1.00 0.00 O ATOM 933 CB ARG A 63 3.289 -3.821 9.000 1.00 0.00 C ATOM 934 CG ARG A 63 4.453 -4.742 8.600 1.00 0.00 C ATOM 935 CD ARG A 63 5.146 -5.319 9.841 1.00 0.00 C ATOM 936 NE ARG A 63 6.568 -5.612 9.576 1.00 0.00 N ATOM 937 CZ ARG A 63 7.474 -6.006 10.453 1.00 0.00 C ATOM 938 NH1 ARG A 63 7.161 -6.330 11.676 1.00 0.00 N ATOM 939 NH2 ARG A 63 8.730 -6.076 10.114 1.00 0.00 N ATOM 0 H ARG A 63 3.535 -1.538 7.260 1.00 0.00 H new ATOM 0 HA ARG A 63 2.122 -4.130 7.221 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.680 -2.981 9.575 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.611 -4.368 9.655 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.081 -5.554 7.976 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.174 -4.185 8.002 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.066 -4.611 10.666 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.637 -6.231 10.153 1.00 0.00 H new ATOM 0 HE ARG A 63 6.885 -5.498 8.613 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.189 -6.284 11.983 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.888 -6.630 12.326 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.018 -5.826 9.168 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.426 -6.381 10.795 1.00 0.00 H new ATOM 953 N LYS A 64 0.299 -3.126 8.861 1.00 0.00 N ATOM 954 CA LYS A 64 -0.898 -2.505 9.460 1.00 0.00 C ATOM 955 C LYS A 64 -0.518 -1.733 10.730 1.00 0.00 C ATOM 956 O LYS A 64 0.095 -2.299 11.636 1.00 0.00 O ATOM 957 CB LYS A 64 -1.926 -3.601 9.786 1.00 0.00 C ATOM 958 CG LYS A 64 -2.505 -4.248 8.518 1.00 0.00 C ATOM 959 CD LYS A 64 -3.053 -5.651 8.788 1.00 0.00 C ATOM 960 CE LYS A 64 -3.886 -6.128 7.591 1.00 0.00 C ATOM 961 NZ LYS A 64 -3.996 -7.609 7.555 1.00 0.00 N ATOM 0 H LYS A 64 0.310 -4.141 8.964 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.334 -1.801 8.752 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.455 -4.368 10.401 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.736 -3.173 10.376 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.301 -3.618 8.121 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.730 -4.303 7.753 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.231 -6.343 8.968 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.667 -5.644 9.689 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.883 -5.690 7.643 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.430 -5.774 6.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.566 -7.895 6.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.046 -8.026 7.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.453 -7.944 8.427 1.00 0.00 H new ATOM 975 N ALA A 65 -0.861 -0.447 10.795 1.00 0.00 N ATOM 976 CA ALA A 65 -0.664 0.393 11.979 1.00 0.00 C ATOM 977 C ALA A 65 -1.817 0.208 12.985 1.00 0.00 C ATOM 978 O ALA A 65 -1.575 0.040 14.182 1.00 0.00 O ATOM 979 CB ALA A 65 -0.530 1.859 11.543 1.00 0.00 C ATOM 0 H ALA A 65 -1.291 0.050 10.015 1.00 0.00 H new ATOM 0 HA ALA A 65 0.253 0.092 12.486 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.383 2.488 12.421 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.325 1.963 10.875 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.437 2.168 11.023 1.00 0.00 H new ATOM 985 N LEU A 66 -3.066 0.232 12.500 1.00 0.00 N ATOM 986 CA LEU A 66 -4.299 0.047 13.281 1.00 0.00 C ATOM 987 C LEU A 66 -5.487 -0.365 12.378 1.00 0.00 C ATOM 988 O LEU A 66 -5.331 -0.500 11.163 1.00 0.00 O ATOM 989 CB LEU A 66 -4.592 1.351 14.072 1.00 0.00 C ATOM 990 CG LEU A 66 -4.769 1.123 15.592 1.00 0.00 C ATOM 991 CD1 LEU A 66 -3.739 1.917 16.399 1.00 0.00 C ATOM 992 CD2 LEU A 66 -6.159 1.545 16.065 1.00 0.00 C ATOM 0 H LEU A 66 -3.254 0.388 11.510 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.161 -0.771 13.988 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.776 2.056 13.911 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.496 1.813 13.674 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.630 0.055 15.757 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.891 1.734 17.463 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.734 1.602 16.117 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.857 2.981 16.193 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.247 1.370 17.137 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.308 2.604 15.856 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.915 0.962 15.539 1.00 0.00 H new ATOM 1004 N ALA A 67 -6.676 -0.549 12.961 1.00 0.00 N ATOM 1005 CA ALA A 67 -7.933 -0.849 12.257 1.00 0.00 C ATOM 1006 C ALA A 67 -9.151 -0.116 12.879 1.00 0.00 C ATOM 1007 O ALA A 67 -9.085 0.301 14.040 1.00 0.00 O ATOM 1008 CB ALA A 67 -8.121 -2.378 12.236 1.00 0.00 C ATOM 0 H ALA A 67 -6.797 -0.492 13.972 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.871 -0.476 11.235 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.048 -2.624 11.718 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.282 -2.841 11.717 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.166 -2.753 13.258 1.00 0.00 H new ATOM 1014 N PRO A 68 -10.273 0.036 12.139 1.00 0.00 N ATOM 1015 CA PRO A 68 -11.466 0.759 12.607 1.00 0.00 C ATOM 1016 C PRO A 68 -12.284 -0.004 13.668 1.00 0.00 C ATOM 1017 O PRO A 68 -12.882 0.613 14.551 1.00 0.00 O ATOM 1018 CB PRO A 68 -12.300 1.009 11.344 1.00 0.00 C ATOM 1019 CG PRO A 68 -11.913 -0.140 10.414 1.00 0.00 C ATOM 1020 CD PRO A 68 -10.437 -0.357 10.743 1.00 0.00 C ATOM 0 HA PRO A 68 -11.172 1.678 13.113 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.368 1.003 11.563 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -12.071 1.977 10.899 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.506 -1.034 10.607 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -12.060 0.121 9.366 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.154 -1.399 10.595 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.800 0.242 10.092 1.00 0.00 H new ATOM 1028 N GLU A 69 -12.309 -1.337 13.591 1.00 0.00 N ATOM 1029 CA GLU A 69 -13.052 -2.253 14.482 1.00 0.00 C ATOM 1030 C GLU A 69 -12.151 -3.368 15.053 1.00 0.00 C ATOM 1031 O GLU A 69 -12.273 -3.720 16.228 1.00 0.00 O ATOM 1032 CB GLU A 69 -14.252 -2.852 13.714 1.00 0.00 C ATOM 1033 CG GLU A 69 -15.619 -2.402 14.250 1.00 0.00 C ATOM 1034 CD GLU A 69 -16.084 -3.250 15.452 1.00 0.00 C ATOM 1035 OE1 GLU A 69 -15.651 -2.985 16.599 1.00 0.00 O ATOM 1036 OE2 GLU A 69 -16.910 -4.177 15.260 1.00 0.00 O ATOM 0 H GLU A 69 -11.788 -1.839 12.872 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.415 -1.680 15.335 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.175 -2.573 12.663 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.194 -3.940 13.760 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.564 -1.355 14.547 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -16.359 -2.469 13.453 1.00 0.00 H new ATOM 1043 N GLU A 70 -11.207 -3.868 14.242 1.00 0.00 N ATOM 1044 CA GLU A 70 -10.181 -4.886 14.560 1.00 0.00 C ATOM 1045 C GLU A 70 -10.746 -6.205 15.146 1.00 0.00 C ATOM 1046 O GLU A 70 -11.345 -6.972 14.355 1.00 0.00 O ATOM 1047 CB GLU A 70 -9.058 -4.227 15.390 1.00 0.00 C ATOM 1048 CG GLU A 70 -7.736 -5.008 15.331 1.00 0.00 C ATOM 1049 CD GLU A 70 -6.611 -4.275 16.098 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -6.663 -4.195 17.352 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -5.650 -3.783 15.455 1.00 0.00 O ATOM 1052 OXT GLU A 70 -10.583 -6.500 16.353 1.00 0.00 O ATOM 0 H GLU A 70 -11.131 -3.552 13.275 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.741 -5.237 13.627 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.892 -3.213 15.027 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.380 -4.145 16.428 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.880 -6.002 15.755 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.439 -5.145 14.291 1.00 0.00 H new TER 1059 GLU A 70