USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 497 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 50 THR OG1 : rot -71:sc= 1.36 USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 1.01 USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 33 THR OG1 : rot 93:sc= 0.605 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 2:sc= 0.356 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -120:sc= -0.243 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0161) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 95:sc= -0.254 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-6!) USER MOD Single : A 25 SER OG : rot 178:sc= -1.2 USER MOD Single : A 28 SER OG : rot 33:sc= 0.0809 USER MOD Single : A 37 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.5) USER MOD Single : A 39 HIS : no HD1:sc= -3.2! K(o=-3.2!,f=-2.4) USER MOD Single : A 41 SER OG : rot -99:sc= -4.2! USER MOD Single : A 42 GLN : amide:sc= -0.0544 K(o=-0.054,f=-3.9!) USER MOD Single : A 52 ASN : amide:sc= -0.0157 K(o=-0.016,f=-1.1) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.519 X(o=-0.52,f=-0.17) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.873 -16.883 19.605 1.00 0.00 N ATOM 2 CA GLY A 1 6.506 -17.487 18.445 1.00 0.00 C ATOM 3 C GLY A 1 5.575 -18.502 17.780 1.00 0.00 C ATOM 4 O GLY A 1 4.423 -18.192 17.481 1.00 0.00 O ATOM 0 H1 GLY A 1 6.524 -16.198 20.039 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.003 -16.395 19.311 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.638 -17.623 20.297 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.776 -16.711 17.728 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.431 -17.979 18.746 1.00 0.00 H new ATOM 8 N SER A 2 6.109 -19.696 17.567 1.00 0.00 N ATOM 9 CA SER A 2 5.341 -20.760 16.943 1.00 0.00 C ATOM 10 C SER A 2 5.870 -22.122 17.394 1.00 0.00 C ATOM 11 O SER A 2 6.766 -22.683 16.765 1.00 0.00 O ATOM 12 CB SER A 2 5.388 -20.651 15.417 1.00 0.00 C ATOM 13 OG SER A 2 4.725 -19.481 14.945 1.00 0.00 O ATOM 0 H SER A 2 7.065 -19.950 17.816 1.00 0.00 H new ATOM 0 HA SER A 2 4.302 -20.660 17.256 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.427 -20.638 15.086 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.924 -21.533 14.976 1.00 0.00 H new ATOM 0 HG SER A 2 4.400 -18.959 15.708 1.00 0.00 H new ATOM 19 N SER A 3 5.294 -22.615 18.480 1.00 0.00 N ATOM 20 CA SER A 3 5.697 -23.901 19.023 1.00 0.00 C ATOM 21 C SER A 3 4.462 -24.706 19.434 1.00 0.00 C ATOM 22 O SER A 3 4.233 -25.802 18.925 1.00 0.00 O ATOM 23 CB SER A 3 6.637 -23.725 20.217 1.00 0.00 C ATOM 24 OG SER A 3 7.362 -24.918 20.506 1.00 0.00 O ATOM 0 H SER A 3 4.551 -22.147 18.999 1.00 0.00 H new ATOM 0 HA SER A 3 6.236 -24.445 18.248 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.338 -22.916 20.011 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.059 -23.431 21.093 1.00 0.00 H new ATOM 0 HG SER A 3 7.952 -24.764 21.273 1.00 0.00 H new ATOM 30 N GLY A 4 3.699 -24.130 20.352 1.00 0.00 N ATOM 31 CA GLY A 4 2.493 -24.780 20.837 1.00 0.00 C ATOM 32 C GLY A 4 1.388 -24.744 19.780 1.00 0.00 C ATOM 33 O GLY A 4 1.130 -25.745 19.113 1.00 0.00 O ATOM 0 H GLY A 4 3.892 -23.221 20.772 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.714 -25.814 21.102 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.149 -24.285 21.745 1.00 0.00 H new ATOM 37 N SER A 5 0.764 -23.581 19.661 1.00 0.00 N ATOM 38 CA SER A 5 -0.308 -23.402 18.697 1.00 0.00 C ATOM 39 C SER A 5 -0.291 -21.971 18.156 1.00 0.00 C ATOM 40 O SER A 5 -0.377 -21.013 18.923 1.00 0.00 O ATOM 41 CB SER A 5 -1.668 -23.719 19.320 1.00 0.00 C ATOM 42 OG SER A 5 -2.590 -24.230 18.361 1.00 0.00 O ATOM 0 H SER A 5 0.981 -22.753 20.216 1.00 0.00 H new ATOM 0 HA SER A 5 -0.147 -24.097 17.873 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.539 -24.446 20.121 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.079 -22.816 19.772 1.00 0.00 H new ATOM 0 HG SER A 5 -3.445 -24.421 18.799 1.00 0.00 H new ATOM 48 N SER A 6 -0.181 -21.871 16.839 1.00 0.00 N ATOM 49 CA SER A 6 -0.152 -20.573 16.187 1.00 0.00 C ATOM 50 C SER A 6 -0.703 -20.690 14.765 1.00 0.00 C ATOM 51 O SER A 6 -1.610 -19.951 14.384 1.00 0.00 O ATOM 52 CB SER A 6 1.266 -20.001 16.161 1.00 0.00 C ATOM 53 OG SER A 6 1.906 -20.102 17.431 1.00 0.00 O ATOM 0 H SER A 6 -0.111 -22.668 16.206 1.00 0.00 H new ATOM 0 HA SER A 6 -0.780 -19.889 16.758 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.857 -20.531 15.414 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.230 -18.955 15.856 1.00 0.00 H new ATOM 0 HG SER A 6 2.146 -19.206 17.749 1.00 0.00 H new ATOM 59 N GLY A 7 -0.132 -21.623 14.018 1.00 0.00 N ATOM 60 CA GLY A 7 -0.555 -21.846 12.646 1.00 0.00 C ATOM 61 C GLY A 7 0.203 -20.930 11.683 1.00 0.00 C ATOM 62 O GLY A 7 1.423 -20.801 11.773 1.00 0.00 O ATOM 0 H GLY A 7 0.620 -22.234 14.337 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.384 -22.887 12.374 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.626 -21.665 12.558 1.00 0.00 H new ATOM 66 N THR A 8 -0.551 -20.318 10.782 1.00 0.00 N ATOM 67 CA THR A 8 0.034 -19.417 9.803 1.00 0.00 C ATOM 68 C THR A 8 -0.068 -17.968 10.284 1.00 0.00 C ATOM 69 O THR A 8 -1.050 -17.589 10.921 1.00 0.00 O ATOM 70 CB THR A 8 -0.659 -19.663 8.461 1.00 0.00 C ATOM 71 OG1 THR A 8 -0.600 -21.076 8.293 1.00 0.00 O ATOM 72 CG2 THR A 8 0.142 -19.113 7.279 1.00 0.00 C ATOM 0 H THR A 8 -1.562 -20.428 10.709 1.00 0.00 H new ATOM 0 HA THR A 8 1.099 -19.609 9.675 1.00 0.00 H new ATOM 0 HB THR A 8 -1.648 -19.204 8.474 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.029 -21.323 7.447 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.394 -19.314 6.351 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.272 -18.037 7.397 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.119 -19.595 7.245 1.00 0.00 H new ATOM 80 N PRO A 9 0.987 -17.177 9.951 1.00 0.00 N ATOM 81 CA PRO A 9 1.025 -15.778 10.341 1.00 0.00 C ATOM 82 C PRO A 9 0.080 -14.941 9.477 1.00 0.00 C ATOM 83 O PRO A 9 -0.843 -15.475 8.864 1.00 0.00 O ATOM 84 CB PRO A 9 2.482 -15.369 10.196 1.00 0.00 C ATOM 85 CG PRO A 9 3.120 -16.411 9.292 1.00 0.00 C ATOM 86 CD PRO A 9 2.166 -17.592 9.197 1.00 0.00 C ATOM 0 HA PRO A 9 0.679 -15.617 11.362 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.566 -14.372 9.763 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.977 -15.338 11.166 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.311 -15.994 8.303 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.082 -16.728 9.695 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.915 -17.816 8.160 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.609 -18.494 9.619 1.00 0.00 H new ATOM 94 N PHE A 10 0.344 -13.643 9.455 1.00 0.00 N ATOM 95 CA PHE A 10 -0.472 -12.727 8.675 1.00 0.00 C ATOM 96 C PHE A 10 -0.126 -12.816 7.187 1.00 0.00 C ATOM 97 O PHE A 10 0.716 -13.619 6.789 1.00 0.00 O ATOM 98 CB PHE A 10 -0.160 -11.315 9.175 1.00 0.00 C ATOM 99 CG PHE A 10 1.327 -10.958 9.144 1.00 0.00 C ATOM 100 CD1 PHE A 10 1.971 -10.827 7.953 1.00 0.00 C ATOM 101 CD2 PHE A 10 2.006 -10.770 10.308 1.00 0.00 C ATOM 102 CE1 PHE A 10 3.351 -10.496 7.924 1.00 0.00 C ATOM 103 CE2 PHE A 10 3.386 -10.439 10.279 1.00 0.00 C ATOM 104 CZ PHE A 10 4.030 -10.309 9.088 1.00 0.00 C ATOM 0 H PHE A 10 1.111 -13.204 9.964 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.527 -12.977 8.791 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.708 -10.596 8.567 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.526 -11.213 10.197 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.432 -10.975 7.029 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.495 -10.873 11.254 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.862 -10.393 6.978 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.925 -10.290 11.203 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.080 -10.057 9.066 1.00 0.00 H new ATOM 114 N ARG A 11 -0.795 -11.981 6.406 1.00 0.00 N ATOM 115 CA ARG A 11 -0.570 -11.955 4.971 1.00 0.00 C ATOM 116 C ARG A 11 0.173 -10.679 4.573 1.00 0.00 C ATOM 117 O ARG A 11 0.256 -9.734 5.357 1.00 0.00 O ATOM 118 CB ARG A 11 -1.892 -12.028 4.204 1.00 0.00 C ATOM 119 CG ARG A 11 -1.941 -13.269 3.312 1.00 0.00 C ATOM 120 CD ARG A 11 -3.358 -13.511 2.787 1.00 0.00 C ATOM 121 NE ARG A 11 -3.786 -14.893 3.104 1.00 0.00 N ATOM 122 CZ ARG A 11 -4.274 -15.274 4.292 1.00 0.00 C ATOM 123 NH1 ARG A 11 -4.398 -14.381 5.283 1.00 0.00 N ATOM 124 NH2 ARG A 11 -4.636 -16.549 4.489 1.00 0.00 N ATOM 0 H ARG A 11 -1.493 -11.317 6.740 1.00 0.00 H new ATOM 0 HA ARG A 11 0.034 -12.826 4.715 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.724 -12.049 4.908 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.013 -11.133 3.594 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.255 -13.146 2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.604 -14.139 3.875 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.048 -12.796 3.235 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.388 -13.350 1.709 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.704 -15.599 2.372 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.121 -13.411 5.133 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.770 -14.671 6.187 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.540 -17.229 3.735 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.008 -16.840 5.393 1.00 0.00 H new ATOM 138 N LYS A 12 0.695 -10.691 3.355 1.00 0.00 N ATOM 139 CA LYS A 12 1.429 -9.546 2.844 1.00 0.00 C ATOM 140 C LYS A 12 0.841 -9.131 1.493 1.00 0.00 C ATOM 141 O LYS A 12 0.084 -9.885 0.884 1.00 0.00 O ATOM 142 CB LYS A 12 2.928 -9.848 2.795 1.00 0.00 C ATOM 143 CG LYS A 12 3.528 -9.873 4.202 1.00 0.00 C ATOM 144 CD LYS A 12 4.754 -10.786 4.259 1.00 0.00 C ATOM 145 CE LYS A 12 4.409 -12.197 3.777 1.00 0.00 C ATOM 146 NZ LYS A 12 5.191 -13.206 4.527 1.00 0.00 N ATOM 0 H LYS A 12 0.624 -11.476 2.707 1.00 0.00 H new ATOM 0 HA LYS A 12 1.321 -8.694 3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.093 -10.809 2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.435 -9.094 2.193 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.808 -8.863 4.500 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.779 -10.219 4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.550 -10.371 3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.133 -10.829 5.280 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.343 -12.382 3.909 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.618 -12.285 2.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.945 -14.158 4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.207 -13.038 4.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.971 -13.132 5.541 1.00 0.00 H new ATOM 160 N ALA A 13 1.212 -7.933 1.066 1.00 0.00 N ATOM 161 CA ALA A 13 0.731 -7.409 -0.201 1.00 0.00 C ATOM 162 C ALA A 13 1.841 -6.591 -0.865 1.00 0.00 C ATOM 163 O ALA A 13 2.695 -6.027 -0.181 1.00 0.00 O ATOM 164 CB ALA A 13 -0.537 -6.585 0.035 1.00 0.00 C ATOM 0 H ALA A 13 1.840 -7.310 1.575 1.00 0.00 H new ATOM 0 HA ALA A 13 0.471 -8.223 -0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.898 -6.192 -0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.304 -7.218 0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.313 -5.758 0.708 1.00 0.00 H new ATOM 170 N LYS A 14 1.794 -6.554 -2.188 1.00 0.00 N ATOM 171 CA LYS A 14 2.785 -5.815 -2.951 1.00 0.00 C ATOM 172 C LYS A 14 2.105 -4.647 -3.667 1.00 0.00 C ATOM 173 O LYS A 14 1.089 -4.831 -4.336 1.00 0.00 O ATOM 174 CB LYS A 14 3.546 -6.753 -3.891 1.00 0.00 C ATOM 175 CG LYS A 14 4.009 -6.013 -5.147 1.00 0.00 C ATOM 176 CD LYS A 14 4.806 -6.940 -6.068 1.00 0.00 C ATOM 177 CE LYS A 14 3.896 -7.589 -7.112 1.00 0.00 C ATOM 178 NZ LYS A 14 3.553 -8.972 -6.713 1.00 0.00 N ATOM 0 H LYS A 14 1.085 -7.024 -2.751 1.00 0.00 H new ATOM 0 HA LYS A 14 3.536 -5.388 -2.286 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.409 -7.172 -3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.906 -7.589 -4.172 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.144 -5.620 -5.681 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.624 -5.159 -4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.593 -6.374 -6.567 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.296 -7.713 -5.476 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.985 -7.001 -7.225 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.393 -7.597 -8.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.020 -9.432 -7.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.426 -9.507 -6.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.972 -8.951 -5.851 1.00 0.00 H new ATOM 192 N ALA A 15 2.692 -3.470 -3.502 1.00 0.00 N ATOM 193 CA ALA A 15 2.155 -2.272 -4.124 1.00 0.00 C ATOM 194 C ALA A 15 2.314 -2.375 -5.643 1.00 0.00 C ATOM 195 O ALA A 15 3.421 -2.570 -6.142 1.00 0.00 O ATOM 196 CB ALA A 15 2.854 -1.039 -3.547 1.00 0.00 C ATOM 0 H ALA A 15 3.534 -3.321 -2.946 1.00 0.00 H new ATOM 0 HA ALA A 15 1.091 -2.173 -3.910 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.451 -0.140 -4.014 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.686 -0.996 -2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.924 -1.102 -3.745 1.00 0.00 H new ATOM 202 N LEU A 16 1.192 -2.241 -6.334 1.00 0.00 N ATOM 203 CA LEU A 16 1.193 -2.317 -7.785 1.00 0.00 C ATOM 204 C LEU A 16 1.855 -1.062 -8.357 1.00 0.00 C ATOM 205 O LEU A 16 2.710 -1.152 -9.236 1.00 0.00 O ATOM 206 CB LEU A 16 -0.224 -2.559 -8.310 1.00 0.00 C ATOM 207 CG LEU A 16 -0.875 -3.881 -7.898 1.00 0.00 C ATOM 208 CD1 LEU A 16 -2.383 -3.852 -8.154 1.00 0.00 C ATOM 209 CD2 LEU A 16 -0.199 -5.065 -8.591 1.00 0.00 C ATOM 0 H LEU A 16 0.276 -2.080 -5.916 1.00 0.00 H new ATOM 0 HA LEU A 16 1.783 -3.170 -8.121 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.861 -1.742 -7.970 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.200 -2.513 -9.399 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.732 -4.012 -6.825 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.822 -4.803 -7.853 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.835 -3.045 -7.577 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.569 -3.687 -9.215 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.681 -5.992 -8.280 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.289 -4.954 -9.672 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.855 -5.094 -8.315 1.00 0.00 H new ATOM 221 N TYR A 17 1.434 0.081 -7.834 1.00 0.00 N ATOM 222 CA TYR A 17 1.975 1.353 -8.281 1.00 0.00 C ATOM 223 C TYR A 17 2.398 2.217 -7.092 1.00 0.00 C ATOM 224 O TYR A 17 1.859 2.077 -5.995 1.00 0.00 O ATOM 225 CB TYR A 17 0.839 2.055 -9.028 1.00 0.00 C ATOM 226 CG TYR A 17 0.101 1.158 -10.023 1.00 0.00 C ATOM 227 CD1 TYR A 17 -0.887 0.302 -9.579 1.00 0.00 C ATOM 228 CD2 TYR A 17 0.422 1.204 -11.365 1.00 0.00 C ATOM 229 CE1 TYR A 17 -1.582 -0.542 -10.516 1.00 0.00 C ATOM 230 CE2 TYR A 17 -0.273 0.359 -12.301 1.00 0.00 C ATOM 231 CZ TYR A 17 -1.241 -0.472 -11.831 1.00 0.00 C ATOM 232 OH TYR A 17 -1.898 -1.270 -12.715 1.00 0.00 O ATOM 0 H TYR A 17 0.724 0.152 -7.105 1.00 0.00 H new ATOM 0 HA TYR A 17 2.854 1.198 -8.907 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.123 2.440 -8.301 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.245 2.914 -9.561 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.138 0.265 -8.529 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.194 1.874 -11.713 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.357 -1.216 -10.182 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.031 0.385 -13.353 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.551 -1.113 -13.618 1.00 0.00 H new ATOM 242 N ALA A 18 3.360 3.091 -7.349 1.00 0.00 N ATOM 243 CA ALA A 18 3.862 3.978 -6.314 1.00 0.00 C ATOM 244 C ALA A 18 2.801 5.033 -5.993 1.00 0.00 C ATOM 245 O ALA A 18 2.267 5.676 -6.895 1.00 0.00 O ATOM 246 CB ALA A 18 5.183 4.601 -6.770 1.00 0.00 C ATOM 0 H ALA A 18 3.805 3.204 -8.260 1.00 0.00 H new ATOM 0 HA ALA A 18 4.063 3.422 -5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.559 5.266 -5.993 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.912 3.812 -6.956 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.020 5.169 -7.686 1.00 0.00 H new ATOM 252 N CYS A 19 2.526 5.177 -4.705 1.00 0.00 N ATOM 253 CA CYS A 19 1.538 6.142 -4.253 1.00 0.00 C ATOM 254 C CYS A 19 2.159 6.975 -3.130 1.00 0.00 C ATOM 255 O CYS A 19 2.975 6.473 -2.358 1.00 0.00 O ATOM 256 CB CYS A 19 0.243 5.460 -3.810 1.00 0.00 C ATOM 257 SG CYS A 19 -1.202 6.421 -4.393 1.00 0.00 S ATOM 0 H CYS A 19 2.970 4.641 -3.960 1.00 0.00 H new ATOM 0 HA CYS A 19 1.261 6.797 -5.079 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.201 4.447 -4.209 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.220 5.376 -2.723 1.00 0.00 H new ATOM 0 HG CYS A 19 -1.627 5.927 -5.518 1.00 0.00 H new ATOM 263 N LYS A 20 1.748 8.233 -3.073 1.00 0.00 N ATOM 264 CA LYS A 20 2.253 9.140 -2.057 1.00 0.00 C ATOM 265 C LYS A 20 1.084 9.662 -1.218 1.00 0.00 C ATOM 266 O LYS A 20 0.243 10.408 -1.716 1.00 0.00 O ATOM 267 CB LYS A 20 3.093 10.248 -2.697 1.00 0.00 C ATOM 268 CG LYS A 20 4.114 10.805 -1.703 1.00 0.00 C ATOM 269 CD LYS A 20 5.529 10.336 -2.050 1.00 0.00 C ATOM 270 CE LYS A 20 6.461 11.528 -2.274 1.00 0.00 C ATOM 271 NZ LYS A 20 7.051 11.973 -0.992 1.00 0.00 N ATOM 0 H LYS A 20 1.071 8.646 -3.714 1.00 0.00 H new ATOM 0 HA LYS A 20 2.924 8.615 -1.378 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.609 9.857 -3.574 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.441 11.050 -3.042 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.076 11.894 -1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.857 10.483 -0.694 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.917 9.712 -1.245 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.501 9.718 -2.947 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.254 11.252 -2.969 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.908 12.349 -2.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.681 12.783 -1.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.292 12.256 -0.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.596 11.193 -0.571 1.00 0.00 H new ATOM 285 N ALA A 21 1.069 9.247 0.040 1.00 0.00 N ATOM 286 CA ALA A 21 0.018 9.663 0.952 1.00 0.00 C ATOM 287 C ALA A 21 -0.134 11.184 0.891 1.00 0.00 C ATOM 288 O ALA A 21 0.596 11.855 0.162 1.00 0.00 O ATOM 289 CB ALA A 21 0.340 9.166 2.363 1.00 0.00 C ATOM 0 H ALA A 21 1.768 8.627 0.449 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.937 9.225 0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.449 9.478 3.048 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.407 8.078 2.359 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.291 9.587 2.689 1.00 0.00 H new ATOM 295 N GLU A 22 -1.086 11.684 1.664 1.00 0.00 N ATOM 296 CA GLU A 22 -1.342 13.114 1.707 1.00 0.00 C ATOM 297 C GLU A 22 -2.242 13.457 2.895 1.00 0.00 C ATOM 298 O GLU A 22 -2.024 14.459 3.574 1.00 0.00 O ATOM 299 CB GLU A 22 -1.959 13.599 0.393 1.00 0.00 C ATOM 300 CG GLU A 22 -2.984 12.594 -0.136 1.00 0.00 C ATOM 301 CD GLU A 22 -4.269 13.300 -0.574 1.00 0.00 C ATOM 302 OE1 GLU A 22 -4.988 13.779 0.329 1.00 0.00 O ATOM 303 OE2 GLU A 22 -4.502 13.344 -1.801 1.00 0.00 O ATOM 0 H GLU A 22 -1.690 11.124 2.266 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.391 13.630 1.837 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.439 14.566 0.547 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.174 13.747 -0.348 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.561 12.046 -0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.213 11.861 0.638 1.00 0.00 H new ATOM 310 N HIS A 23 -3.234 12.606 3.110 1.00 0.00 N ATOM 311 CA HIS A 23 -4.168 12.806 4.205 1.00 0.00 C ATOM 312 C HIS A 23 -3.418 12.750 5.537 1.00 0.00 C ATOM 313 O HIS A 23 -3.036 13.784 6.083 1.00 0.00 O ATOM 314 CB HIS A 23 -5.318 11.799 4.129 1.00 0.00 C ATOM 315 CG HIS A 23 -6.336 11.946 5.235 1.00 0.00 C ATOM 316 ND1 HIS A 23 -5.994 11.936 6.576 1.00 0.00 N ATOM 317 CD2 HIS A 23 -7.690 12.107 5.184 1.00 0.00 C ATOM 318 CE1 HIS A 23 -7.099 12.084 7.291 1.00 0.00 C ATOM 319 NE2 HIS A 23 -8.149 12.189 6.427 1.00 0.00 N ATOM 0 H HIS A 23 -3.412 11.776 2.544 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.621 13.794 4.125 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -5.821 11.909 3.169 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -4.907 10.790 4.159 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.287 12.159 4.285 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.158 12.116 8.369 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -9.126 12.311 6.692 1.00 0.00 H new ATOM 327 N ASP A 24 -3.228 11.531 6.022 1.00 0.00 N ATOM 328 CA ASP A 24 -2.530 11.326 7.279 1.00 0.00 C ATOM 329 C ASP A 24 -2.502 9.832 7.605 1.00 0.00 C ATOM 330 O ASP A 24 -1.444 9.275 7.892 1.00 0.00 O ATOM 331 CB ASP A 24 -3.240 12.047 8.427 1.00 0.00 C ATOM 332 CG ASP A 24 -2.386 12.272 9.676 1.00 0.00 C ATOM 333 OD1 ASP A 24 -1.530 11.400 9.943 1.00 0.00 O ATOM 334 OD2 ASP A 24 -2.607 13.310 10.336 1.00 0.00 O ATOM 0 H ASP A 24 -3.546 10.676 5.566 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.521 11.723 7.172 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.592 13.014 8.067 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.122 11.471 8.707 1.00 0.00 H new ATOM 339 N SER A 25 -3.679 9.225 7.549 1.00 0.00 N ATOM 340 CA SER A 25 -3.803 7.805 7.834 1.00 0.00 C ATOM 341 C SER A 25 -3.164 6.988 6.710 1.00 0.00 C ATOM 342 O SER A 25 -2.611 5.917 6.954 1.00 0.00 O ATOM 343 CB SER A 25 -5.269 7.406 8.014 1.00 0.00 C ATOM 344 OG SER A 25 -5.415 6.011 8.264 1.00 0.00 O ATOM 0 H SER A 25 -4.555 9.690 7.311 1.00 0.00 H new ATOM 0 HA SER A 25 -3.281 7.596 8.768 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.699 7.970 8.842 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.831 7.675 7.119 1.00 0.00 H new ATOM 0 HG SER A 25 -6.362 5.802 8.406 1.00 0.00 H new ATOM 350 N GLU A 26 -3.262 7.524 5.503 1.00 0.00 N ATOM 351 CA GLU A 26 -2.700 6.858 4.340 1.00 0.00 C ATOM 352 C GLU A 26 -1.193 6.662 4.517 1.00 0.00 C ATOM 353 O GLU A 26 -0.581 7.278 5.388 1.00 0.00 O ATOM 354 CB GLU A 26 -3.005 7.638 3.060 1.00 0.00 C ATOM 355 CG GLU A 26 -4.514 7.785 2.854 1.00 0.00 C ATOM 356 CD GLU A 26 -4.840 8.101 1.393 1.00 0.00 C ATOM 357 OE1 GLU A 26 -4.172 7.505 0.521 1.00 0.00 O ATOM 358 OE2 GLU A 26 -5.749 8.932 1.181 1.00 0.00 O ATOM 0 H GLU A 26 -3.722 8.412 5.305 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.166 5.877 4.248 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.544 8.624 3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.566 7.126 2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.017 6.865 3.152 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.897 8.579 3.496 1.00 0.00 H new ATOM 365 N LEU A 27 -0.638 5.801 3.676 1.00 0.00 N ATOM 366 CA LEU A 27 0.786 5.517 3.729 1.00 0.00 C ATOM 367 C LEU A 27 1.419 5.851 2.376 1.00 0.00 C ATOM 368 O LEU A 27 0.712 6.091 1.399 1.00 0.00 O ATOM 369 CB LEU A 27 1.028 4.075 4.182 1.00 0.00 C ATOM 370 CG LEU A 27 0.363 3.665 5.498 1.00 0.00 C ATOM 371 CD1 LEU A 27 0.176 2.148 5.568 1.00 0.00 C ATOM 372 CD2 LEU A 27 1.145 4.203 6.698 1.00 0.00 C ATOM 0 H LEU A 27 -1.148 5.291 2.955 1.00 0.00 H new ATOM 0 HA LEU A 27 1.273 6.147 4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.678 3.405 3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.103 3.921 4.277 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.630 4.113 5.534 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.298 1.883 6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.454 1.821 4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.147 1.658 5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.651 3.898 7.621 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.159 3.804 6.680 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.182 5.291 6.650 1.00 0.00 H new ATOM 384 N SER A 28 2.744 5.855 2.364 1.00 0.00 N ATOM 385 CA SER A 28 3.480 6.155 1.147 1.00 0.00 C ATOM 386 C SER A 28 4.488 5.042 0.857 1.00 0.00 C ATOM 387 O SER A 28 5.271 4.666 1.729 1.00 0.00 O ATOM 388 CB SER A 28 4.195 7.504 1.255 1.00 0.00 C ATOM 389 OG SER A 28 5.066 7.558 2.381 1.00 0.00 O ATOM 0 H SER A 28 3.327 5.655 3.177 1.00 0.00 H new ATOM 0 HA SER A 28 2.769 6.216 0.323 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.767 7.685 0.345 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.455 8.301 1.330 1.00 0.00 H new ATOM 0 HG SER A 28 5.438 6.667 2.550 1.00 0.00 H new ATOM 395 N PHE A 29 4.436 4.546 -0.370 1.00 0.00 N ATOM 396 CA PHE A 29 5.336 3.483 -0.786 1.00 0.00 C ATOM 397 C PHE A 29 5.571 3.524 -2.297 1.00 0.00 C ATOM 398 O PHE A 29 5.040 4.392 -2.989 1.00 0.00 O ATOM 399 CB PHE A 29 4.661 2.158 -0.423 1.00 0.00 C ATOM 400 CG PHE A 29 3.188 2.079 -0.829 1.00 0.00 C ATOM 401 CD1 PHE A 29 2.850 1.685 -2.087 1.00 0.00 C ATOM 402 CD2 PHE A 29 2.217 2.401 0.066 1.00 0.00 C ATOM 403 CE1 PHE A 29 1.483 1.611 -2.464 1.00 0.00 C ATOM 404 CE2 PHE A 29 0.850 2.327 -0.311 1.00 0.00 C ATOM 405 CZ PHE A 29 0.512 1.934 -1.568 1.00 0.00 C ATOM 0 H PHE A 29 3.785 4.860 -1.090 1.00 0.00 H new ATOM 0 HA PHE A 29 6.301 3.597 -0.292 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.203 1.343 -0.901 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.739 2.005 0.653 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.621 1.429 -2.798 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.485 2.713 1.064 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.214 1.298 -3.462 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.079 2.583 0.401 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.528 1.878 -1.855 1.00 0.00 H new ATOM 415 N THR A 30 6.368 2.575 -2.766 1.00 0.00 N ATOM 416 CA THR A 30 6.681 2.492 -4.182 1.00 0.00 C ATOM 417 C THR A 30 6.320 1.109 -4.728 1.00 0.00 C ATOM 418 O THR A 30 6.408 0.112 -4.012 1.00 0.00 O ATOM 419 CB THR A 30 8.158 2.849 -4.362 1.00 0.00 C ATOM 420 OG1 THR A 30 8.850 1.851 -3.618 1.00 0.00 O ATOM 421 CG2 THR A 30 8.532 4.159 -3.666 1.00 0.00 C ATOM 0 H THR A 30 6.807 1.857 -2.190 1.00 0.00 H new ATOM 0 HA THR A 30 6.088 3.200 -4.760 1.00 0.00 H new ATOM 0 HB THR A 30 8.386 2.924 -5.425 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.816 2.006 -3.682 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.590 4.366 -3.825 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.937 4.973 -4.079 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.335 4.072 -2.597 1.00 0.00 H new ATOM 429 N ALA A 31 5.922 1.092 -5.991 1.00 0.00 N ATOM 430 CA ALA A 31 5.547 -0.153 -6.641 1.00 0.00 C ATOM 431 C ALA A 31 6.552 -1.243 -6.264 1.00 0.00 C ATOM 432 O ALA A 31 7.759 -1.007 -6.266 1.00 0.00 O ATOM 433 CB ALA A 31 5.464 0.066 -8.153 1.00 0.00 C ATOM 0 H ALA A 31 5.851 1.920 -6.582 1.00 0.00 H new ATOM 0 HA ALA A 31 4.564 -0.481 -6.304 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.183 -0.867 -8.641 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.716 0.828 -8.370 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.434 0.393 -8.527 1.00 0.00 H new ATOM 439 N GLY A 32 6.017 -2.413 -5.950 1.00 0.00 N ATOM 440 CA GLY A 32 6.852 -3.541 -5.571 1.00 0.00 C ATOM 441 C GLY A 32 6.927 -3.681 -4.049 1.00 0.00 C ATOM 442 O GLY A 32 7.092 -4.784 -3.531 1.00 0.00 O ATOM 0 H GLY A 32 5.015 -2.605 -5.950 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.451 -4.457 -6.005 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.855 -3.409 -5.977 1.00 0.00 H new ATOM 446 N THR A 33 6.802 -2.546 -3.376 1.00 0.00 N ATOM 447 CA THR A 33 6.854 -2.529 -1.924 1.00 0.00 C ATOM 448 C THR A 33 5.932 -3.603 -1.344 1.00 0.00 C ATOM 449 O THR A 33 4.749 -3.656 -1.676 1.00 0.00 O ATOM 450 CB THR A 33 6.507 -1.114 -1.456 1.00 0.00 C ATOM 451 OG1 THR A 33 7.713 -0.379 -1.647 1.00 0.00 O ATOM 452 CG2 THR A 33 6.262 -1.040 0.053 1.00 0.00 C ATOM 0 H THR A 33 6.665 -1.633 -3.809 1.00 0.00 H new ATOM 0 HA THR A 33 7.853 -2.772 -1.561 1.00 0.00 H new ATOM 0 HB THR A 33 5.621 -0.764 -1.986 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.698 0.051 -2.527 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.020 -0.015 0.332 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.432 -1.694 0.319 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.160 -1.358 0.583 1.00 0.00 H new ATOM 460 N VAL A 34 6.509 -4.434 -0.488 1.00 0.00 N ATOM 461 CA VAL A 34 5.755 -5.504 0.141 1.00 0.00 C ATOM 462 C VAL A 34 5.387 -5.093 1.568 1.00 0.00 C ATOM 463 O VAL A 34 6.263 -4.934 2.417 1.00 0.00 O ATOM 464 CB VAL A 34 6.550 -6.810 0.081 1.00 0.00 C ATOM 465 CG1 VAL A 34 5.990 -7.838 1.066 1.00 0.00 C ATOM 466 CG2 VAL A 34 6.575 -7.372 -1.342 1.00 0.00 C ATOM 0 H VAL A 34 7.491 -4.387 -0.216 1.00 0.00 H new ATOM 0 HA VAL A 34 4.823 -5.681 -0.396 1.00 0.00 H new ATOM 0 HB VAL A 34 7.577 -6.591 0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.573 -8.757 1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.048 -7.440 2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.950 -8.050 0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.146 -8.300 -1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.555 -7.568 -1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.041 -6.648 -2.011 1.00 0.00 H new ATOM 476 N PHE A 35 4.090 -4.932 1.788 1.00 0.00 N ATOM 477 CA PHE A 35 3.596 -4.543 3.097 1.00 0.00 C ATOM 478 C PHE A 35 3.551 -5.742 4.046 1.00 0.00 C ATOM 479 O PHE A 35 3.510 -6.888 3.601 1.00 0.00 O ATOM 480 CB PHE A 35 2.175 -4.011 2.899 1.00 0.00 C ATOM 481 CG PHE A 35 2.080 -2.842 1.917 1.00 0.00 C ATOM 482 CD1 PHE A 35 2.229 -1.565 2.362 1.00 0.00 C ATOM 483 CD2 PHE A 35 1.846 -3.078 0.598 1.00 0.00 C ATOM 484 CE1 PHE A 35 2.141 -0.480 1.451 1.00 0.00 C ATOM 485 CE2 PHE A 35 1.757 -1.993 -0.313 1.00 0.00 C ATOM 486 CZ PHE A 35 1.906 -0.717 0.132 1.00 0.00 C ATOM 0 H PHE A 35 3.367 -5.064 1.081 1.00 0.00 H new ATOM 0 HA PHE A 35 4.255 -3.793 3.534 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.540 -4.823 2.544 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.779 -3.695 3.864 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.414 -1.377 3.409 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.728 -4.091 0.244 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.261 0.533 1.805 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.571 -2.181 -1.360 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.838 0.108 -0.561 1.00 0.00 H new ATOM 496 N ASP A 36 3.561 -5.437 5.335 1.00 0.00 N ATOM 497 CA ASP A 36 3.522 -6.476 6.350 1.00 0.00 C ATOM 498 C ASP A 36 2.130 -6.512 6.984 1.00 0.00 C ATOM 499 O ASP A 36 1.514 -5.468 7.197 1.00 0.00 O ATOM 500 CB ASP A 36 4.540 -6.202 7.459 1.00 0.00 C ATOM 501 CG ASP A 36 5.815 -7.044 7.389 1.00 0.00 C ATOM 502 OD1 ASP A 36 5.714 -8.186 6.891 1.00 0.00 O ATOM 503 OD2 ASP A 36 6.862 -6.527 7.835 1.00 0.00 O ATOM 0 H ASP A 36 3.596 -4.485 5.700 1.00 0.00 H new ATOM 0 HA ASP A 36 3.759 -7.425 5.870 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.816 -5.148 7.425 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.061 -6.375 8.422 1.00 0.00 H new ATOM 508 N ASN A 37 1.675 -7.723 7.268 1.00 0.00 N ATOM 509 CA ASN A 37 0.367 -7.908 7.874 1.00 0.00 C ATOM 510 C ASN A 37 -0.652 -7.017 7.160 1.00 0.00 C ATOM 511 O ASN A 37 -0.895 -5.887 7.580 1.00 0.00 O ATOM 512 CB ASN A 37 0.384 -7.516 9.352 1.00 0.00 C ATOM 513 CG ASN A 37 -0.626 -8.342 10.151 1.00 0.00 C ATOM 514 OD1 ASN A 37 -1.755 -8.557 9.740 1.00 0.00 O ATOM 515 ND2 ASN A 37 -0.159 -8.792 11.312 1.00 0.00 N ATOM 0 H ASN A 37 2.188 -8.586 7.090 1.00 0.00 H new ATOM 0 HA ASN A 37 0.100 -8.961 7.784 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.384 -7.665 9.760 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.153 -6.456 9.453 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.756 -9.354 11.919 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.796 -8.575 11.596 1.00 0.00 H new ATOM 522 N VAL A 38 -1.219 -7.559 6.093 1.00 0.00 N ATOM 523 CA VAL A 38 -2.206 -6.827 5.316 1.00 0.00 C ATOM 524 C VAL A 38 -3.607 -7.308 5.697 1.00 0.00 C ATOM 525 O VAL A 38 -3.845 -8.510 5.810 1.00 0.00 O ATOM 526 CB VAL A 38 -1.909 -6.972 3.822 1.00 0.00 C ATOM 527 CG1 VAL A 38 -3.041 -6.384 2.979 1.00 0.00 C ATOM 528 CG2 VAL A 38 -0.567 -6.330 3.465 1.00 0.00 C ATOM 0 H VAL A 38 -1.014 -8.497 5.748 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.156 -5.762 5.541 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.841 -8.036 3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.805 -6.500 1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.971 -6.907 3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.155 -5.325 3.211 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.380 -6.447 2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.593 -5.269 3.715 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.230 -6.816 4.028 1.00 0.00 H new ATOM 538 N HIS A 39 -4.498 -6.346 5.884 1.00 0.00 N ATOM 539 CA HIS A 39 -5.870 -6.657 6.250 1.00 0.00 C ATOM 540 C HIS A 39 -6.782 -5.494 5.855 1.00 0.00 C ATOM 541 O HIS A 39 -6.318 -4.368 5.678 1.00 0.00 O ATOM 542 CB HIS A 39 -5.969 -7.010 7.735 1.00 0.00 C ATOM 543 CG HIS A 39 -5.834 -5.824 8.659 1.00 0.00 C ATOM 544 ND1 HIS A 39 -6.894 -4.990 8.970 1.00 0.00 N ATOM 545 CD2 HIS A 39 -4.753 -5.340 9.337 1.00 0.00 C ATOM 546 CE1 HIS A 39 -6.460 -4.051 9.797 1.00 0.00 C ATOM 547 NE2 HIS A 39 -5.132 -4.269 10.023 1.00 0.00 N ATOM 0 H HIS A 39 -4.297 -5.350 5.789 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.206 -7.538 5.704 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.928 -7.494 7.920 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.193 -7.737 7.978 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -3.757 -5.758 9.318 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -7.053 -3.253 10.219 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -4.530 -3.702 10.620 1.00 0.00 H new ATOM 555 N PRO A 40 -8.097 -5.814 5.724 1.00 0.00 N ATOM 556 CA PRO A 40 -9.079 -4.809 5.353 1.00 0.00 C ATOM 557 C PRO A 40 -9.386 -3.882 6.531 1.00 0.00 C ATOM 558 O PRO A 40 -9.999 -4.300 7.512 1.00 0.00 O ATOM 559 CB PRO A 40 -10.292 -5.597 4.886 1.00 0.00 C ATOM 560 CG PRO A 40 -10.119 -7.000 5.447 1.00 0.00 C ATOM 561 CD PRO A 40 -8.683 -7.136 5.925 1.00 0.00 C ATOM 0 HA PRO A 40 -8.724 -4.145 4.564 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -11.215 -5.143 5.247 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.350 -5.616 3.798 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.813 -7.171 6.270 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.340 -7.746 4.684 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.641 -7.432 6.973 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.147 -7.897 5.357 1.00 0.00 H new ATOM 569 N SER A 41 -8.947 -2.639 6.394 1.00 0.00 N ATOM 570 CA SER A 41 -9.167 -1.649 7.434 1.00 0.00 C ATOM 571 C SER A 41 -10.661 -1.540 7.745 1.00 0.00 C ATOM 572 O SER A 41 -11.115 -1.989 8.796 1.00 0.00 O ATOM 573 CB SER A 41 -8.609 -0.285 7.024 1.00 0.00 C ATOM 574 OG SER A 41 -8.118 0.450 8.141 1.00 0.00 O ATOM 0 H SER A 41 -8.440 -2.295 5.578 1.00 0.00 H new ATOM 0 HA SER A 41 -8.638 -1.972 8.331 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.805 -0.425 6.301 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.389 0.291 6.526 1.00 0.00 H new ATOM 0 HG SER A 41 -8.792 1.101 8.426 1.00 0.00 H new ATOM 580 N GLN A 42 -11.385 -0.940 6.811 1.00 0.00 N ATOM 581 CA GLN A 42 -12.818 -0.766 6.971 1.00 0.00 C ATOM 582 C GLN A 42 -13.397 -0.003 5.778 1.00 0.00 C ATOM 583 O GLN A 42 -14.495 -0.310 5.315 1.00 0.00 O ATOM 584 CB GLN A 42 -13.140 -0.053 8.286 1.00 0.00 C ATOM 585 CG GLN A 42 -12.217 1.149 8.498 1.00 0.00 C ATOM 586 CD GLN A 42 -12.995 2.462 8.396 1.00 0.00 C ATOM 587 OE1 GLN A 42 -13.520 2.823 7.355 1.00 0.00 O ATOM 588 NE2 GLN A 42 -13.040 3.155 9.530 1.00 0.00 N ATOM 0 H GLN A 42 -11.005 -0.568 5.940 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.282 -1.752 7.007 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -14.178 0.278 8.280 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.033 -0.750 9.117 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -11.742 1.079 9.476 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -11.420 1.136 7.755 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -12.579 2.796 10.366 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.536 4.046 9.564 1.00 0.00 H new ATOM 597 N GLU A 43 -12.634 0.975 5.315 1.00 0.00 N ATOM 598 CA GLU A 43 -13.057 1.784 4.185 1.00 0.00 C ATOM 599 C GLU A 43 -13.216 0.911 2.938 1.00 0.00 C ATOM 600 O GLU A 43 -12.605 -0.151 2.837 1.00 0.00 O ATOM 601 CB GLU A 43 -12.075 2.929 3.931 1.00 0.00 C ATOM 602 CG GLU A 43 -12.799 4.276 3.896 1.00 0.00 C ATOM 603 CD GLU A 43 -12.419 5.071 2.645 1.00 0.00 C ATOM 604 OE1 GLU A 43 -11.201 5.159 2.377 1.00 0.00 O ATOM 605 OE2 GLU A 43 -13.354 5.572 1.985 1.00 0.00 O ATOM 0 H GLU A 43 -11.724 1.226 5.702 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.025 2.226 4.422 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.315 2.941 4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.558 2.766 2.986 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.877 4.114 3.915 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.548 4.851 4.787 1.00 0.00 H new ATOM 612 N PRO A 44 -14.063 1.406 1.995 1.00 0.00 N ATOM 613 CA PRO A 44 -14.310 0.683 0.759 1.00 0.00 C ATOM 614 C PRO A 44 -13.120 0.805 -0.195 1.00 0.00 C ATOM 615 O PRO A 44 -12.844 1.886 -0.713 1.00 0.00 O ATOM 616 CB PRO A 44 -15.586 1.289 0.197 1.00 0.00 C ATOM 617 CG PRO A 44 -15.750 2.631 0.891 1.00 0.00 C ATOM 618 CD PRO A 44 -14.804 2.661 2.080 1.00 0.00 C ATOM 0 HA PRO A 44 -14.429 -0.389 0.916 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.516 1.414 -0.884 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.443 0.643 0.388 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.524 3.446 0.203 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.780 2.767 1.220 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.135 3.520 2.032 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.351 2.735 3.020 1.00 0.00 H new ATOM 626 N GLY A 45 -12.448 -0.318 -0.399 1.00 0.00 N ATOM 627 CA GLY A 45 -11.294 -0.351 -1.281 1.00 0.00 C ATOM 628 C GLY A 45 -10.064 0.249 -0.598 1.00 0.00 C ATOM 629 O GLY A 45 -9.364 1.074 -1.183 1.00 0.00 O ATOM 0 H GLY A 45 -12.681 -1.213 0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.086 -1.380 -1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.514 0.203 -2.194 1.00 0.00 H new ATOM 633 N TRP A 46 -9.837 -0.190 0.632 1.00 0.00 N ATOM 634 CA TRP A 46 -8.703 0.293 1.402 1.00 0.00 C ATOM 635 C TRP A 46 -8.253 -0.832 2.336 1.00 0.00 C ATOM 636 O TRP A 46 -9.082 -1.525 2.924 1.00 0.00 O ATOM 637 CB TRP A 46 -9.055 1.583 2.145 1.00 0.00 C ATOM 638 CG TRP A 46 -9.272 2.789 1.230 1.00 0.00 C ATOM 639 CD1 TRP A 46 -10.434 3.306 0.808 1.00 0.00 C ATOM 640 CD2 TRP A 46 -8.246 3.614 0.637 1.00 0.00 C ATOM 641 NE1 TRP A 46 -10.233 4.400 -0.010 1.00 0.00 N ATOM 642 CE2 TRP A 46 -8.861 4.593 -0.117 1.00 0.00 C ATOM 643 CE3 TRP A 46 -6.846 3.536 0.735 1.00 0.00 C ATOM 644 CZ2 TRP A 46 -8.154 5.567 -0.832 1.00 0.00 C ATOM 645 CZ3 TRP A 46 -6.154 4.517 0.015 1.00 0.00 C ATOM 646 CH2 TRP A 46 -6.758 5.509 -0.749 1.00 0.00 C ATOM 0 H TRP A 46 -10.419 -0.875 1.114 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.873 0.553 0.745 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -9.959 1.417 2.731 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -8.256 1.814 2.850 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -11.405 2.916 1.074 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -10.958 4.963 -0.454 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -6.344 2.779 1.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -8.659 6.322 -1.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -5.075 4.502 0.056 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -6.153 6.232 -1.276 1.00 0.00 H new ATOM 657 N LEU A 47 -6.940 -0.978 2.444 1.00 0.00 N ATOM 658 CA LEU A 47 -6.369 -2.007 3.296 1.00 0.00 C ATOM 659 C LEU A 47 -5.537 -1.347 4.398 1.00 0.00 C ATOM 660 O LEU A 47 -5.068 -0.222 4.236 1.00 0.00 O ATOM 661 CB LEU A 47 -5.588 -3.023 2.461 1.00 0.00 C ATOM 662 CG LEU A 47 -6.340 -3.641 1.280 1.00 0.00 C ATOM 663 CD1 LEU A 47 -5.372 -4.063 0.174 1.00 0.00 C ATOM 664 CD2 LEU A 47 -7.226 -4.800 1.740 1.00 0.00 C ATOM 0 H LEU A 47 -6.256 -0.401 1.955 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.159 -2.575 3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.690 -2.537 2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.260 -3.828 3.118 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.998 -2.881 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.932 -4.499 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.822 -3.191 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.671 -4.800 0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.749 -5.221 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.608 -5.570 2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.954 -4.436 2.465 1.00 0.00 H new ATOM 676 N GLU A 48 -5.381 -2.075 5.493 1.00 0.00 N ATOM 677 CA GLU A 48 -4.613 -1.574 6.621 1.00 0.00 C ATOM 678 C GLU A 48 -3.400 -2.470 6.877 1.00 0.00 C ATOM 679 O GLU A 48 -3.524 -3.529 7.491 1.00 0.00 O ATOM 680 CB GLU A 48 -5.487 -1.463 7.872 1.00 0.00 C ATOM 681 CG GLU A 48 -4.940 -0.404 8.831 1.00 0.00 C ATOM 682 CD GLU A 48 -6.057 0.178 9.700 1.00 0.00 C ATOM 683 OE1 GLU A 48 -6.691 -0.622 10.420 1.00 0.00 O ATOM 684 OE2 GLU A 48 -6.251 1.411 9.624 1.00 0.00 O ATOM 0 H GLU A 48 -5.773 -3.008 5.624 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.256 -0.574 6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.507 -1.207 7.586 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.530 -2.428 8.377 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.172 -0.846 9.467 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.463 0.395 8.263 1.00 0.00 H new ATOM 691 N GLY A 49 -2.254 -2.012 6.394 1.00 0.00 N ATOM 692 CA GLY A 49 -1.019 -2.758 6.563 1.00 0.00 C ATOM 693 C GLY A 49 0.006 -1.950 7.362 1.00 0.00 C ATOM 694 O GLY A 49 -0.261 -0.813 7.749 1.00 0.00 O ATOM 0 H GLY A 49 -2.155 -1.133 5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.225 -3.698 7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.606 -3.011 5.586 1.00 0.00 H new ATOM 698 N THR A 50 1.156 -2.568 7.584 1.00 0.00 N ATOM 699 CA THR A 50 2.222 -1.920 8.329 1.00 0.00 C ATOM 700 C THR A 50 3.464 -1.757 7.451 1.00 0.00 C ATOM 701 O THR A 50 3.894 -2.705 6.795 1.00 0.00 O ATOM 702 CB THR A 50 2.477 -2.737 9.597 1.00 0.00 C ATOM 703 OG1 THR A 50 1.246 -2.665 10.311 1.00 0.00 O ATOM 704 CG2 THR A 50 3.488 -2.070 10.531 1.00 0.00 C ATOM 0 H THR A 50 1.373 -3.511 7.261 1.00 0.00 H new ATOM 0 HA THR A 50 1.939 -0.910 8.627 1.00 0.00 H new ATOM 0 HB THR A 50 2.836 -3.729 9.322 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.124 -1.758 10.662 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.632 -2.691 11.415 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.439 -1.951 10.012 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.114 -1.091 10.833 1.00 0.00 H new ATOM 712 N LEU A 51 4.006 -0.548 7.467 1.00 0.00 N ATOM 713 CA LEU A 51 5.191 -0.249 6.680 1.00 0.00 C ATOM 714 C LEU A 51 6.149 0.603 7.513 1.00 0.00 C ATOM 715 O LEU A 51 5.834 1.741 7.859 1.00 0.00 O ATOM 716 CB LEU A 51 4.800 0.390 5.346 1.00 0.00 C ATOM 717 CG LEU A 51 5.953 0.709 4.392 1.00 0.00 C ATOM 718 CD1 LEU A 51 6.235 -0.470 3.458 1.00 0.00 C ATOM 719 CD2 LEU A 51 5.684 2.002 3.619 1.00 0.00 C ATOM 0 H LEU A 51 3.647 0.236 8.012 1.00 0.00 H new ATOM 0 HA LEU A 51 5.721 -1.167 6.424 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.106 -0.278 4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.259 1.314 5.553 1.00 0.00 H new ATOM 0 HG LEU A 51 6.853 0.871 4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.059 -0.217 2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.503 -1.346 4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.345 -0.688 2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.519 2.205 2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.769 1.894 3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.572 2.829 4.320 1.00 0.00 H new ATOM 731 N ASN A 52 7.302 0.021 7.812 1.00 0.00 N ATOM 732 CA ASN A 52 8.308 0.713 8.598 1.00 0.00 C ATOM 733 C ASN A 52 7.726 1.066 9.968 1.00 0.00 C ATOM 734 O ASN A 52 7.586 2.242 10.303 1.00 0.00 O ATOM 735 CB ASN A 52 8.740 2.014 7.918 1.00 0.00 C ATOM 736 CG ASN A 52 9.362 1.737 6.548 1.00 0.00 C ATOM 737 OD1 ASN A 52 9.618 0.605 6.172 1.00 0.00 O ATOM 738 ND2 ASN A 52 9.589 2.831 5.826 1.00 0.00 N ATOM 0 H ASN A 52 7.561 -0.922 7.523 1.00 0.00 H new ATOM 0 HA ASN A 52 9.171 0.054 8.696 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.879 2.672 7.804 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.459 2.537 8.549 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.002 2.752 4.897 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.350 3.749 6.202 1.00 0.00 H new ATOM 745 N GLY A 53 7.400 0.027 10.723 1.00 0.00 N ATOM 746 CA GLY A 53 6.836 0.213 12.049 1.00 0.00 C ATOM 747 C GLY A 53 5.768 1.308 12.041 1.00 0.00 C ATOM 748 O GLY A 53 5.587 2.011 13.035 1.00 0.00 O ATOM 0 H GLY A 53 7.516 -0.947 10.442 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.400 -0.723 12.397 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.627 0.477 12.751 1.00 0.00 H new ATOM 752 N LYS A 54 5.088 1.420 10.910 1.00 0.00 N ATOM 753 CA LYS A 54 4.042 2.418 10.760 1.00 0.00 C ATOM 754 C LYS A 54 2.820 1.775 10.101 1.00 0.00 C ATOM 755 O LYS A 54 2.955 1.019 9.140 1.00 0.00 O ATOM 756 CB LYS A 54 4.573 3.641 10.010 1.00 0.00 C ATOM 757 CG LYS A 54 3.704 4.871 10.282 1.00 0.00 C ATOM 758 CD LYS A 54 4.286 6.114 9.607 1.00 0.00 C ATOM 759 CE LYS A 54 3.261 7.249 9.571 1.00 0.00 C ATOM 760 NZ LYS A 54 3.822 8.432 8.881 1.00 0.00 N ATOM 0 H LYS A 54 5.241 0.836 10.088 1.00 0.00 H new ATOM 0 HA LYS A 54 3.722 2.785 11.735 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.600 3.842 10.316 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.593 3.435 8.940 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.693 4.694 9.916 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.630 5.038 11.357 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.177 6.440 10.144 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.598 5.869 8.592 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.358 6.916 9.059 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.970 7.517 10.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.113 9.193 8.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.670 8.759 9.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.077 8.176 7.906 1.00 0.00 H new ATOM 774 N THR A 55 1.656 2.099 10.644 1.00 0.00 N ATOM 775 CA THR A 55 0.411 1.562 10.121 1.00 0.00 C ATOM 776 C THR A 55 -0.462 2.688 9.563 1.00 0.00 C ATOM 777 O THR A 55 -0.464 3.797 10.094 1.00 0.00 O ATOM 778 CB THR A 55 -0.266 0.764 11.237 1.00 0.00 C ATOM 779 OG1 THR A 55 0.537 -0.406 11.364 1.00 0.00 O ATOM 780 CG2 THR A 55 -1.639 0.230 10.825 1.00 0.00 C ATOM 0 H THR A 55 1.549 2.727 11.441 1.00 0.00 H new ATOM 0 HA THR A 55 0.592 0.888 9.284 1.00 0.00 H new ATOM 0 HB THR A 55 -0.371 1.394 12.120 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.170 -0.980 12.068 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.076 -0.329 11.653 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.291 1.064 10.566 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.530 -0.427 9.962 1.00 0.00 H new ATOM 788 N GLY A 56 -1.182 2.363 8.499 1.00 0.00 N ATOM 789 CA GLY A 56 -2.057 3.333 7.863 1.00 0.00 C ATOM 790 C GLY A 56 -2.994 2.653 6.863 1.00 0.00 C ATOM 791 O GLY A 56 -3.124 1.430 6.861 1.00 0.00 O ATOM 0 H GLY A 56 -1.177 1.442 8.062 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.643 3.852 8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.459 4.087 7.352 1.00 0.00 H new ATOM 795 N LEU A 57 -3.624 3.476 6.037 1.00 0.00 N ATOM 796 CA LEU A 57 -4.545 2.969 5.035 1.00 0.00 C ATOM 797 C LEU A 57 -3.791 2.743 3.723 1.00 0.00 C ATOM 798 O LEU A 57 -2.846 3.467 3.413 1.00 0.00 O ATOM 799 CB LEU A 57 -5.752 3.900 4.897 1.00 0.00 C ATOM 800 CG LEU A 57 -6.695 3.959 6.101 1.00 0.00 C ATOM 801 CD1 LEU A 57 -7.926 4.812 5.791 1.00 0.00 C ATOM 802 CD2 LEU A 57 -7.074 2.553 6.570 1.00 0.00 C ATOM 0 H LEU A 57 -3.514 4.490 6.042 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.948 2.004 5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.388 4.907 4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.327 3.590 4.025 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.169 4.441 6.925 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.580 4.838 6.663 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.613 5.826 5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.464 4.381 4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.745 2.624 7.426 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.574 2.022 5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.174 2.010 6.858 1.00 0.00 H new ATOM 814 N ILE A 58 -4.237 1.734 2.988 1.00 0.00 N ATOM 815 CA ILE A 58 -3.615 1.403 1.717 1.00 0.00 C ATOM 816 C ILE A 58 -4.704 1.173 0.667 1.00 0.00 C ATOM 817 O ILE A 58 -5.726 0.550 0.952 1.00 0.00 O ATOM 818 CB ILE A 58 -2.659 0.220 1.880 1.00 0.00 C ATOM 819 CG1 ILE A 58 -1.616 0.504 2.963 1.00 0.00 C ATOM 820 CG2 ILE A 58 -2.012 -0.150 0.544 1.00 0.00 C ATOM 821 CD1 ILE A 58 -1.019 -0.797 3.504 1.00 0.00 C ATOM 0 H ILE A 58 -5.021 1.136 3.248 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.001 2.232 1.365 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.237 -0.644 2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.823 1.130 2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.076 1.064 3.778 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.337 -0.994 0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.787 -0.423 -0.172 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.450 0.703 0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.281 -0.567 4.272 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.811 -1.410 3.934 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.539 -1.343 2.692 1.00 0.00 H new ATOM 833 N PRO A 59 -4.441 1.701 -0.559 1.00 0.00 N ATOM 834 CA PRO A 59 -5.387 1.560 -1.653 1.00 0.00 C ATOM 835 C PRO A 59 -5.359 0.140 -2.221 1.00 0.00 C ATOM 836 O PRO A 59 -4.416 -0.237 -2.915 1.00 0.00 O ATOM 837 CB PRO A 59 -4.974 2.614 -2.668 1.00 0.00 C ATOM 838 CG PRO A 59 -3.543 2.990 -2.320 1.00 0.00 C ATOM 839 CD PRO A 59 -3.242 2.445 -0.933 1.00 0.00 C ATOM 0 HA PRO A 59 -6.420 1.712 -1.339 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.039 2.225 -3.684 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.630 3.483 -2.617 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.850 2.575 -3.052 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.417 4.072 -2.340 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.363 1.800 -0.943 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.039 3.250 -0.227 1.00 0.00 H new ATOM 847 N GLU A 60 -6.405 -0.610 -1.906 1.00 0.00 N ATOM 848 CA GLU A 60 -6.512 -1.981 -2.376 1.00 0.00 C ATOM 849 C GLU A 60 -6.323 -2.037 -3.893 1.00 0.00 C ATOM 850 O GLU A 60 -5.974 -3.082 -4.440 1.00 0.00 O ATOM 851 CB GLU A 60 -7.851 -2.597 -1.967 1.00 0.00 C ATOM 852 CG GLU A 60 -8.178 -3.819 -2.828 1.00 0.00 C ATOM 853 CD GLU A 60 -9.215 -4.711 -2.143 1.00 0.00 C ATOM 854 OE1 GLU A 60 -8.783 -5.595 -1.373 1.00 0.00 O ATOM 855 OE2 GLU A 60 -10.417 -4.488 -2.406 1.00 0.00 O ATOM 0 H GLU A 60 -7.186 -0.294 -1.331 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.722 -2.568 -1.909 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.817 -2.886 -0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.643 -1.855 -2.067 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.556 -3.495 -3.798 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.269 -4.390 -3.015 1.00 0.00 H new ATOM 862 N ASN A 61 -6.562 -0.900 -4.530 1.00 0.00 N ATOM 863 CA ASN A 61 -6.422 -0.807 -5.974 1.00 0.00 C ATOM 864 C ASN A 61 -4.985 -0.410 -6.318 1.00 0.00 C ATOM 865 O ASN A 61 -4.716 0.066 -7.420 1.00 0.00 O ATOM 866 CB ASN A 61 -7.358 0.257 -6.550 1.00 0.00 C ATOM 867 CG ASN A 61 -6.988 1.649 -6.035 1.00 0.00 C ATOM 868 OD1 ASN A 61 -6.209 2.374 -6.632 1.00 0.00 O ATOM 869 ND2 ASN A 61 -7.590 1.982 -4.896 1.00 0.00 N ATOM 0 H ASN A 61 -6.852 -0.035 -4.073 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.674 -1.778 -6.401 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.305 0.242 -7.639 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.388 0.026 -6.278 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.410 2.892 -4.471 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.231 1.328 -4.448 1.00 0.00 H new ATOM 876 N TYR A 62 -4.100 -0.621 -5.355 1.00 0.00 N ATOM 877 CA TYR A 62 -2.697 -0.291 -5.543 1.00 0.00 C ATOM 878 C TYR A 62 -1.795 -1.340 -4.891 1.00 0.00 C ATOM 879 O TYR A 62 -0.616 -1.087 -4.650 1.00 0.00 O ATOM 880 CB TYR A 62 -2.483 1.053 -4.844 1.00 0.00 C ATOM 881 CG TYR A 62 -2.044 2.180 -5.782 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.838 2.534 -6.854 1.00 0.00 C ATOM 883 CD2 TYR A 62 -0.855 2.842 -5.555 1.00 0.00 C ATOM 884 CE1 TYR A 62 -2.425 3.594 -7.736 1.00 0.00 C ATOM 885 CE2 TYR A 62 -0.442 3.902 -6.438 1.00 0.00 C ATOM 886 CZ TYR A 62 -1.247 4.225 -7.485 1.00 0.00 C ATOM 887 OH TYR A 62 -0.857 5.227 -8.319 1.00 0.00 O ATOM 0 H TYR A 62 -4.327 -1.016 -4.442 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.450 -0.255 -6.604 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.410 1.346 -4.350 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.731 0.930 -4.064 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.769 2.016 -7.031 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.234 2.565 -4.716 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.037 3.882 -8.578 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.486 4.429 -6.272 1.00 0.00 H new ATOM 0 HH TYR A 62 0.003 5.587 -8.018 1.00 0.00 H new ATOM 897 N VAL A 63 -2.384 -2.497 -4.624 1.00 0.00 N ATOM 898 CA VAL A 63 -1.648 -3.586 -4.005 1.00 0.00 C ATOM 899 C VAL A 63 -1.983 -4.895 -4.723 1.00 0.00 C ATOM 900 O VAL A 63 -2.928 -4.953 -5.507 1.00 0.00 O ATOM 901 CB VAL A 63 -1.947 -3.633 -2.505 1.00 0.00 C ATOM 902 CG1 VAL A 63 -1.225 -2.505 -1.766 1.00 0.00 C ATOM 903 CG2 VAL A 63 -3.454 -3.583 -2.244 1.00 0.00 C ATOM 0 H VAL A 63 -3.362 -2.704 -4.825 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.574 -3.427 -4.104 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.571 -4.581 -2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.455 -2.562 -0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.149 -2.605 -1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.556 -1.543 -2.158 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.639 -3.618 -1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.864 -2.659 -2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.935 -4.436 -2.723 1.00 0.00 H new ATOM 913 N GLU A 64 -1.188 -5.914 -4.429 1.00 0.00 N ATOM 914 CA GLU A 64 -1.388 -7.218 -5.036 1.00 0.00 C ATOM 915 C GLU A 64 -0.995 -8.326 -4.057 1.00 0.00 C ATOM 916 O GLU A 64 0.144 -8.792 -4.066 1.00 0.00 O ATOM 917 CB GLU A 64 -0.605 -7.340 -6.345 1.00 0.00 C ATOM 918 CG GLU A 64 -0.436 -8.805 -6.749 1.00 0.00 C ATOM 919 CD GLU A 64 -0.571 -8.976 -8.263 1.00 0.00 C ATOM 920 OE1 GLU A 64 -1.717 -8.856 -8.748 1.00 0.00 O ATOM 921 OE2 GLU A 64 0.475 -9.223 -8.902 1.00 0.00 O ATOM 0 H GLU A 64 -0.404 -5.862 -3.778 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.446 -7.328 -5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.125 -6.799 -7.136 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.374 -6.875 -6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.540 -9.165 -6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.185 -9.414 -6.243 1.00 0.00 H new ATOM 928 N PHE A 65 -1.958 -8.716 -3.236 1.00 0.00 N ATOM 929 CA PHE A 65 -1.727 -9.760 -2.252 1.00 0.00 C ATOM 930 C PHE A 65 -0.847 -10.871 -2.829 1.00 0.00 C ATOM 931 O PHE A 65 -1.057 -11.311 -3.958 1.00 0.00 O ATOM 932 CB PHE A 65 -3.094 -10.345 -1.890 1.00 0.00 C ATOM 933 CG PHE A 65 -3.885 -9.502 -0.888 1.00 0.00 C ATOM 934 CD1 PHE A 65 -3.744 -9.723 0.447 1.00 0.00 C ATOM 935 CD2 PHE A 65 -4.729 -8.533 -1.331 1.00 0.00 C ATOM 936 CE1 PHE A 65 -4.478 -8.941 1.377 1.00 0.00 C ATOM 937 CE2 PHE A 65 -5.464 -7.751 -0.401 1.00 0.00 C ATOM 938 CZ PHE A 65 -5.323 -7.971 0.934 1.00 0.00 C ATOM 0 H PHE A 65 -2.901 -8.328 -3.232 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.219 -9.345 -1.381 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.683 -10.456 -2.800 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.953 -11.344 -1.477 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.074 -10.493 0.799 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.841 -8.358 -2.391 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.366 -9.116 2.437 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.135 -6.982 -0.754 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.881 -7.376 1.642 1.00 0.00 H new ATOM 948 N LEU A 66 0.120 -11.293 -2.027 1.00 0.00 N ATOM 949 CA LEU A 66 1.032 -12.344 -2.444 1.00 0.00 C ATOM 950 C LEU A 66 0.583 -13.674 -1.836 1.00 0.00 C ATOM 951 O LEU A 66 -0.425 -13.730 -1.134 1.00 0.00 O ATOM 952 CB LEU A 66 2.475 -11.968 -2.101 1.00 0.00 C ATOM 953 CG LEU A 66 2.872 -10.514 -2.370 1.00 0.00 C ATOM 954 CD1 LEU A 66 3.564 -9.900 -1.152 1.00 0.00 C ATOM 955 CD2 LEU A 66 3.729 -10.405 -3.632 1.00 0.00 C ATOM 0 H LEU A 66 0.291 -10.926 -1.091 1.00 0.00 H new ATOM 0 HA LEU A 66 1.006 -12.463 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.644 -12.180 -1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.143 -12.617 -2.667 1.00 0.00 H new ATOM 0 HG LEU A 66 1.963 -9.939 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.835 -8.867 -1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.887 -9.925 -0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.463 -10.470 -0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.997 -9.362 -3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.635 -10.998 -3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.166 -10.777 -4.488 1.00 0.00 H new ATOM 967 N SER A 67 1.353 -14.712 -2.129 1.00 0.00 N ATOM 968 CA SER A 67 1.046 -16.038 -1.620 1.00 0.00 C ATOM 969 C SER A 67 -0.343 -16.471 -2.092 1.00 0.00 C ATOM 970 O SER A 67 -1.181 -15.632 -2.418 1.00 0.00 O ATOM 971 CB SER A 67 1.123 -16.073 -0.092 1.00 0.00 C ATOM 972 OG SER A 67 2.284 -16.760 0.368 1.00 0.00 O ATOM 0 H SER A 67 2.188 -14.662 -2.712 1.00 0.00 H new ATOM 0 HA SER A 67 1.788 -16.734 -2.010 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.128 -15.054 0.294 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.232 -16.560 0.305 1.00 0.00 H new ATOM 0 HG SER A 67 2.298 -16.759 1.348 1.00 0.00 H new ATOM 978 N GLY A 68 -0.545 -17.781 -2.113 1.00 0.00 N ATOM 979 CA GLY A 68 -1.818 -18.335 -2.539 1.00 0.00 C ATOM 980 C GLY A 68 -1.806 -18.649 -4.036 1.00 0.00 C ATOM 981 O GLY A 68 -0.831 -18.357 -4.728 1.00 0.00 O ATOM 0 H GLY A 68 0.152 -18.474 -1.842 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.030 -19.243 -1.975 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.618 -17.628 -2.318 1.00 0.00 H new ATOM 985 N PRO A 69 -2.929 -19.256 -4.506 1.00 0.00 N ATOM 986 CA PRO A 69 -3.056 -19.613 -5.908 1.00 0.00 C ATOM 987 C PRO A 69 -3.324 -18.375 -6.767 1.00 0.00 C ATOM 988 O PRO A 69 -4.414 -18.221 -7.316 1.00 0.00 O ATOM 989 CB PRO A 69 -4.188 -20.625 -5.956 1.00 0.00 C ATOM 990 CG PRO A 69 -4.958 -20.451 -4.656 1.00 0.00 C ATOM 991 CD PRO A 69 -4.102 -19.617 -3.716 1.00 0.00 C ATOM 0 HA PRO A 69 -2.141 -20.040 -6.317 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.832 -20.450 -6.818 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.801 -21.640 -6.048 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.913 -19.959 -4.841 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.180 -21.421 -4.211 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.637 -18.731 -3.374 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.822 -20.183 -2.828 1.00 0.00 H new ATOM 999 N SER A 70 -2.312 -17.525 -6.855 1.00 0.00 N ATOM 1000 CA SER A 70 -2.425 -16.306 -7.638 1.00 0.00 C ATOM 1001 C SER A 70 -3.489 -15.390 -7.029 1.00 0.00 C ATOM 1002 O SER A 70 -4.658 -15.455 -7.404 1.00 0.00 O ATOM 1003 CB SER A 70 -2.765 -16.617 -9.097 1.00 0.00 C ATOM 1004 OG SER A 70 -1.698 -16.278 -9.978 1.00 0.00 O ATOM 0 H SER A 70 -1.410 -17.656 -6.397 1.00 0.00 H new ATOM 0 HA SER A 70 -1.461 -15.797 -7.619 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.995 -17.678 -9.197 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.661 -16.068 -9.385 1.00 0.00 H new ATOM 0 HG SER A 70 -1.954 -16.493 -10.899 1.00 0.00 H new ATOM 1010 N SER A 71 -3.045 -14.557 -6.099 1.00 0.00 N ATOM 1011 CA SER A 71 -3.944 -13.629 -5.434 1.00 0.00 C ATOM 1012 C SER A 71 -4.999 -14.401 -4.640 1.00 0.00 C ATOM 1013 O SER A 71 -5.670 -15.279 -5.182 1.00 0.00 O ATOM 1014 CB SER A 71 -4.616 -12.696 -6.442 1.00 0.00 C ATOM 1015 OG SER A 71 -4.022 -11.400 -6.449 1.00 0.00 O ATOM 0 H SER A 71 -2.074 -14.505 -5.790 1.00 0.00 H new ATOM 0 HA SER A 71 -3.358 -13.017 -4.748 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.549 -13.131 -7.439 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.676 -12.608 -6.204 1.00 0.00 H new ATOM 0 HG SER A 71 -4.478 -10.835 -7.107 1.00 0.00 H new ATOM 1021 N GLY A 72 -5.114 -14.047 -3.368 1.00 0.00 N ATOM 1022 CA GLY A 72 -6.077 -14.695 -2.494 1.00 0.00 C ATOM 1023 C GLY A 72 -5.572 -16.069 -2.047 1.00 0.00 C ATOM 1024 O GLY A 72 -4.370 -16.270 -1.886 1.00 0.00 O ATOM 0 H GLY A 72 -4.556 -13.319 -2.922 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.260 -14.069 -1.621 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.029 -14.804 -3.013 1.00 0.00 H new TER 1028 GLY A 72