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 -105:sc= 1.7! USER MOD Set 1.2: A 55 THR OG1 : rot -75:sc= 1.88 USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0.00209 USER MOD Set 2.2: A 33 THR OG1 : rot 88:sc= 0.655 USER MOD Set 3.1: A 23 HIS : no HD1:sc= -2.26! C(o=-2.3!,f=-5.1!) USER MOD Set 3.2: A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -160:sc= -0.149 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0992) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 89:sc= -0.25 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 25:sc= 0.146 USER MOD Single : A 37 ASN : amide:sc= -2.48 K(o=-2.5,f=-5.3!) USER MOD Single : A 39 HIS : no HD1:sc= -2.68 K(o=-2.7,f=-6.8!) USER MOD Single : A 41 SER OG : rot 17:sc= -3.3! USER MOD Single : A 42 GLN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.154 K(o=-0.15,f=-2.1!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.8) 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 14.918 -21.374 10.922 1.00 0.00 N ATOM 2 CA GLY A 1 14.877 -21.363 12.374 1.00 0.00 C ATOM 3 C GLY A 1 15.927 -20.407 12.945 1.00 0.00 C ATOM 4 O GLY A 1 15.747 -19.191 12.913 1.00 0.00 O ATOM 0 H1 GLY A 1 14.197 -22.030 10.559 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.728 -20.417 10.562 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.859 -21.683 10.604 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.885 -21.063 12.711 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.052 -22.370 12.754 1.00 0.00 H new ATOM 8 N SER A 2 17.001 -20.994 13.453 1.00 0.00 N ATOM 9 CA SER A 2 18.080 -20.210 14.030 1.00 0.00 C ATOM 10 C SER A 2 18.403 -19.019 13.124 1.00 0.00 C ATOM 11 O SER A 2 18.325 -17.869 13.553 1.00 0.00 O ATOM 12 CB SER A 2 19.329 -21.067 14.246 1.00 0.00 C ATOM 13 OG SER A 2 20.261 -20.439 15.122 1.00 0.00 O ATOM 0 H SER A 2 17.147 -22.003 13.477 1.00 0.00 H new ATOM 0 HA SER A 2 17.753 -19.841 15.002 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.039 -22.034 14.658 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.807 -21.260 13.286 1.00 0.00 H new ATOM 0 HG SER A 2 21.044 -21.018 15.236 1.00 0.00 H new ATOM 19 N SER A 3 18.760 -19.337 11.888 1.00 0.00 N ATOM 20 CA SER A 3 19.096 -18.308 10.919 1.00 0.00 C ATOM 21 C SER A 3 18.035 -18.260 9.818 1.00 0.00 C ATOM 22 O SER A 3 17.806 -19.252 9.127 1.00 0.00 O ATOM 23 CB SER A 3 20.479 -18.552 10.312 1.00 0.00 C ATOM 24 OG SER A 3 20.779 -17.624 9.274 1.00 0.00 O ATOM 0 H SER A 3 18.824 -20.292 11.536 1.00 0.00 H new ATOM 0 HA SER A 3 19.120 -17.348 11.435 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.236 -18.479 11.093 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.527 -19.566 9.916 1.00 0.00 H new ATOM 0 HG SER A 3 21.671 -17.813 8.914 1.00 0.00 H new ATOM 30 N GLY A 4 17.414 -17.096 9.688 1.00 0.00 N ATOM 31 CA GLY A 4 16.383 -16.906 8.682 1.00 0.00 C ATOM 32 C GLY A 4 15.493 -15.710 9.029 1.00 0.00 C ATOM 33 O GLY A 4 15.986 -14.597 9.207 1.00 0.00 O ATOM 0 H GLY A 4 17.605 -16.275 10.263 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.845 -16.749 7.707 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.774 -17.807 8.605 1.00 0.00 H new ATOM 37 N SER A 5 14.199 -15.981 9.113 1.00 0.00 N ATOM 38 CA SER A 5 13.237 -14.941 9.435 1.00 0.00 C ATOM 39 C SER A 5 12.026 -15.550 10.144 1.00 0.00 C ATOM 40 O SER A 5 11.542 -16.611 9.754 1.00 0.00 O ATOM 41 CB SER A 5 12.794 -14.192 8.177 1.00 0.00 C ATOM 42 OG SER A 5 11.915 -13.112 8.480 1.00 0.00 O ATOM 0 H SER A 5 13.794 -16.905 8.964 1.00 0.00 H new ATOM 0 HA SER A 5 13.718 -14.225 10.101 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.671 -13.810 7.655 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.296 -14.885 7.499 1.00 0.00 H new ATOM 0 HG SER A 5 11.656 -12.658 7.651 1.00 0.00 H new ATOM 48 N SER A 6 11.570 -14.852 11.174 1.00 0.00 N ATOM 49 CA SER A 6 10.425 -15.311 11.942 1.00 0.00 C ATOM 50 C SER A 6 9.129 -14.959 11.208 1.00 0.00 C ATOM 51 O SER A 6 8.866 -13.790 10.931 1.00 0.00 O ATOM 52 CB SER A 6 10.422 -14.702 13.345 1.00 0.00 C ATOM 53 OG SER A 6 11.572 -15.085 14.095 1.00 0.00 O ATOM 0 H SER A 6 11.973 -13.972 11.495 1.00 0.00 H new ATOM 0 HA SER A 6 10.495 -16.394 12.046 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.384 -13.615 13.269 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.523 -15.016 13.875 1.00 0.00 H new ATOM 0 HG SER A 6 11.534 -14.675 14.984 1.00 0.00 H new ATOM 59 N GLY A 7 8.354 -15.993 10.915 1.00 0.00 N ATOM 60 CA GLY A 7 7.091 -15.808 10.219 1.00 0.00 C ATOM 61 C GLY A 7 5.947 -15.587 11.209 1.00 0.00 C ATOM 62 O GLY A 7 6.002 -16.061 12.343 1.00 0.00 O ATOM 0 H GLY A 7 8.576 -16.961 11.147 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.164 -14.954 9.546 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.880 -16.682 9.603 1.00 0.00 H new ATOM 66 N THR A 8 4.935 -14.868 10.745 1.00 0.00 N ATOM 67 CA THR A 8 3.779 -14.578 11.576 1.00 0.00 C ATOM 68 C THR A 8 2.494 -15.020 10.874 1.00 0.00 C ATOM 69 O THR A 8 2.465 -15.157 9.652 1.00 0.00 O ATOM 70 CB THR A 8 3.804 -13.087 11.918 1.00 0.00 C ATOM 71 OG1 THR A 8 3.775 -12.440 10.649 1.00 0.00 O ATOM 72 CG2 THR A 8 5.135 -12.649 12.530 1.00 0.00 C ATOM 0 H THR A 8 4.892 -14.478 9.804 1.00 0.00 H new ATOM 0 HA THR A 8 3.812 -15.140 12.509 1.00 0.00 H new ATOM 0 HB THR A 8 2.994 -12.860 12.611 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.102 -11.521 10.743 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.099 -11.583 12.754 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.314 -13.207 13.449 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.942 -12.845 11.824 1.00 0.00 H new ATOM 80 N PRO A 9 1.433 -15.236 11.698 1.00 0.00 N ATOM 81 CA PRO A 9 0.148 -15.659 11.168 1.00 0.00 C ATOM 82 C PRO A 9 -0.574 -14.495 10.487 1.00 0.00 C ATOM 83 O PRO A 9 -1.705 -14.167 10.843 1.00 0.00 O ATOM 84 CB PRO A 9 -0.609 -16.208 12.366 1.00 0.00 C ATOM 85 CG PRO A 9 0.092 -15.650 13.594 1.00 0.00 C ATOM 86 CD PRO A 9 1.430 -15.083 13.150 1.00 0.00 C ATOM 0 HA PRO A 9 0.242 -16.417 10.391 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.655 -15.902 12.341 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.596 -17.298 12.370 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.515 -14.874 14.061 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.237 -16.432 14.339 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.532 -14.037 13.438 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.260 -15.622 13.607 1.00 0.00 H new ATOM 94 N PHE A 10 0.109 -13.902 9.519 1.00 0.00 N ATOM 95 CA PHE A 10 -0.454 -12.781 8.784 1.00 0.00 C ATOM 96 C PHE A 10 -0.101 -12.867 7.298 1.00 0.00 C ATOM 97 O PHE A 10 0.656 -13.745 6.886 1.00 0.00 O ATOM 98 CB PHE A 10 0.162 -11.508 9.370 1.00 0.00 C ATOM 99 CG PHE A 10 -0.016 -11.370 10.883 1.00 0.00 C ATOM 100 CD1 PHE A 10 -1.257 -11.457 11.432 1.00 0.00 C ATOM 101 CD2 PHE A 10 1.067 -11.160 11.679 1.00 0.00 C ATOM 102 CE1 PHE A 10 -1.422 -11.329 12.837 1.00 0.00 C ATOM 103 CE2 PHE A 10 0.901 -11.032 13.083 1.00 0.00 C ATOM 104 CZ PHE A 10 -0.340 -11.119 13.633 1.00 0.00 C ATOM 0 H PHE A 10 1.047 -14.176 9.226 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.540 -12.786 8.872 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.227 -11.491 9.137 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.285 -10.642 8.881 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.117 -11.623 10.800 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.053 -11.091 11.243 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.408 -11.399 13.273 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.761 -10.865 13.715 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.466 -11.021 14.701 1.00 0.00 H new ATOM 114 N ARG A 11 -0.666 -11.944 6.534 1.00 0.00 N ATOM 115 CA ARG A 11 -0.420 -11.904 5.103 1.00 0.00 C ATOM 116 C ARG A 11 0.305 -10.611 4.724 1.00 0.00 C ATOM 117 O ARG A 11 0.459 -9.716 5.553 1.00 0.00 O ATOM 118 CB ARG A 11 -1.730 -11.995 4.316 1.00 0.00 C ATOM 119 CG ARG A 11 -1.834 -13.332 3.579 1.00 0.00 C ATOM 120 CD ARG A 11 -3.263 -13.876 3.632 1.00 0.00 C ATOM 121 NE ARG A 11 -3.321 -15.062 4.515 1.00 0.00 N ATOM 122 CZ ARG A 11 -4.436 -15.764 4.758 1.00 0.00 C ATOM 123 NH1 ARG A 11 -5.593 -15.403 4.187 1.00 0.00 N ATOM 124 NH2 ARG A 11 -4.394 -16.827 5.574 1.00 0.00 N ATOM 0 H ARG A 11 -1.294 -11.218 6.879 1.00 0.00 H new ATOM 0 HA ARG A 11 0.204 -12.762 4.850 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.575 -11.883 4.995 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.786 -11.175 3.600 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.528 -13.204 2.541 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.150 -14.053 4.027 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.941 -13.105 3.999 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.597 -14.142 2.629 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.458 -15.364 4.967 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.625 -14.594 3.567 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.442 -15.938 4.372 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.513 -17.101 6.010 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.243 -17.362 5.759 1.00 0.00 H new ATOM 138 N LYS A 12 0.731 -10.555 3.471 1.00 0.00 N ATOM 139 CA LYS A 12 1.437 -9.386 2.972 1.00 0.00 C ATOM 140 C LYS A 12 0.856 -8.987 1.614 1.00 0.00 C ATOM 141 O LYS A 12 0.065 -9.726 1.031 1.00 0.00 O ATOM 142 CB LYS A 12 2.945 -9.642 2.945 1.00 0.00 C ATOM 143 CG LYS A 12 3.476 -9.936 4.349 1.00 0.00 C ATOM 144 CD LYS A 12 4.454 -11.113 4.330 1.00 0.00 C ATOM 145 CE LYS A 12 5.390 -11.068 5.539 1.00 0.00 C ATOM 146 NZ LYS A 12 6.355 -12.189 5.490 1.00 0.00 N ATOM 0 H LYS A 12 0.601 -11.300 2.786 1.00 0.00 H new ATOM 0 HA LYS A 12 1.293 -8.539 3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.163 -10.483 2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.458 -8.773 2.533 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.974 -9.051 4.746 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.644 -10.160 5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.899 -12.051 4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.040 -11.089 3.411 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.926 -10.119 5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.808 -11.121 6.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.983 -12.143 6.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.839 -13.092 5.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.923 -12.121 4.621 1.00 0.00 H new ATOM 160 N ALA A 13 1.273 -7.818 1.149 1.00 0.00 N ATOM 161 CA ALA A 13 0.804 -7.311 -0.129 1.00 0.00 C ATOM 162 C ALA A 13 1.906 -6.466 -0.773 1.00 0.00 C ATOM 163 O ALA A 13 2.718 -5.862 -0.074 1.00 0.00 O ATOM 164 CB ALA A 13 -0.490 -6.522 0.077 1.00 0.00 C ATOM 0 H ALA A 13 1.930 -7.208 1.635 1.00 0.00 H new ATOM 0 HA ALA A 13 0.579 -8.133 -0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.841 -6.142 -0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.249 -7.174 0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.303 -5.687 0.752 1.00 0.00 H new ATOM 170 N LYS A 14 1.898 -6.451 -2.098 1.00 0.00 N ATOM 171 CA LYS A 14 2.886 -5.690 -2.843 1.00 0.00 C ATOM 172 C LYS A 14 2.189 -4.555 -3.595 1.00 0.00 C ATOM 173 O LYS A 14 1.188 -4.779 -4.275 1.00 0.00 O ATOM 174 CB LYS A 14 3.704 -6.615 -3.747 1.00 0.00 C ATOM 175 CG LYS A 14 4.178 -5.877 -5.001 1.00 0.00 C ATOM 176 CD LYS A 14 4.975 -6.809 -5.917 1.00 0.00 C ATOM 177 CE LYS A 14 4.058 -7.500 -6.928 1.00 0.00 C ATOM 178 NZ LYS A 14 3.762 -8.884 -6.498 1.00 0.00 N ATOM 0 H LYS A 14 1.223 -6.954 -2.674 1.00 0.00 H new ATOM 0 HA LYS A 14 3.603 -5.229 -2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.565 -6.997 -3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.100 -7.476 -4.034 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.318 -5.479 -5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.796 -5.026 -4.715 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.740 -6.239 -6.445 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.492 -7.559 -5.318 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.130 -6.938 -7.029 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.532 -7.511 -7.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.345 -9.412 -7.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.642 -9.350 -6.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.091 -8.865 -5.704 1.00 0.00 H new ATOM 192 N ALA A 15 2.744 -3.361 -3.447 1.00 0.00 N ATOM 193 CA ALA A 15 2.188 -2.190 -4.103 1.00 0.00 C ATOM 194 C ALA A 15 2.348 -2.336 -5.618 1.00 0.00 C ATOM 195 O ALA A 15 3.443 -2.608 -6.107 1.00 0.00 O ATOM 196 CB ALA A 15 2.869 -0.931 -3.564 1.00 0.00 C ATOM 0 H ALA A 15 3.574 -3.179 -2.882 1.00 0.00 H new ATOM 0 HA ALA A 15 1.123 -2.101 -3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.452 -0.053 -4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.702 -0.859 -2.489 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.940 -0.983 -3.762 1.00 0.00 H new ATOM 202 N LEU A 16 1.239 -2.149 -6.319 1.00 0.00 N ATOM 203 CA LEU A 16 1.242 -2.256 -7.768 1.00 0.00 C ATOM 204 C LEU A 16 1.873 -0.997 -8.367 1.00 0.00 C ATOM 205 O LEU A 16 2.731 -1.086 -9.244 1.00 0.00 O ATOM 206 CB LEU A 16 -0.168 -2.543 -8.287 1.00 0.00 C ATOM 207 CG LEU A 16 -0.770 -3.891 -7.884 1.00 0.00 C ATOM 208 CD1 LEU A 16 -2.277 -3.919 -8.146 1.00 0.00 C ATOM 209 CD2 LEU A 16 -0.045 -5.045 -8.580 1.00 0.00 C ATOM 0 H LEU A 16 0.332 -1.924 -5.910 1.00 0.00 H new ATOM 0 HA LEU A 16 1.852 -3.101 -8.086 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.831 -1.752 -7.936 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.152 -2.486 -9.375 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.628 -4.022 -6.811 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.680 -4.888 -7.851 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.762 -3.133 -7.567 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.465 -3.756 -9.207 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.492 -5.992 -8.276 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.134 -4.932 -9.660 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.008 -5.035 -8.300 1.00 0.00 H new ATOM 221 N TYR A 17 1.425 0.146 -7.868 1.00 0.00 N ATOM 222 CA TYR A 17 1.935 1.420 -8.343 1.00 0.00 C ATOM 223 C TYR A 17 2.323 2.326 -7.173 1.00 0.00 C ATOM 224 O TYR A 17 1.691 2.289 -6.118 1.00 0.00 O ATOM 225 CB TYR A 17 0.787 2.072 -9.118 1.00 0.00 C ATOM 226 CG TYR A 17 0.098 1.136 -10.113 1.00 0.00 C ATOM 227 CD1 TYR A 17 -0.889 0.275 -9.681 1.00 0.00 C ATOM 228 CD2 TYR A 17 0.465 1.153 -11.444 1.00 0.00 C ATOM 229 CE1 TYR A 17 -1.538 -0.606 -10.617 1.00 0.00 C ATOM 230 CE2 TYR A 17 -0.184 0.273 -12.380 1.00 0.00 C ATOM 231 CZ TYR A 17 -1.153 -0.563 -11.921 1.00 0.00 C ATOM 232 OH TYR A 17 -1.766 -1.395 -12.806 1.00 0.00 O ATOM 0 H TYR A 17 0.714 0.216 -7.140 1.00 0.00 H new ATOM 0 HA TYR A 17 2.823 1.272 -8.957 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.046 2.440 -8.408 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.171 2.938 -9.656 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.175 0.262 -8.640 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.239 1.826 -11.783 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.312 -1.285 -10.291 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.093 0.277 -13.424 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.391 -1.255 -13.701 1.00 0.00 H new ATOM 242 N ALA A 18 3.360 3.119 -7.398 1.00 0.00 N ATOM 243 CA ALA A 18 3.840 4.032 -6.375 1.00 0.00 C ATOM 244 C ALA A 18 2.762 5.079 -6.086 1.00 0.00 C ATOM 245 O ALA A 18 2.193 5.660 -7.009 1.00 0.00 O ATOM 246 CB ALA A 18 5.158 4.663 -6.831 1.00 0.00 C ATOM 0 H ALA A 18 3.881 3.148 -8.274 1.00 0.00 H new ATOM 0 HA ALA A 18 4.039 3.497 -5.446 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.518 5.348 -6.063 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.899 3.880 -6.995 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.997 5.211 -7.760 1.00 0.00 H new ATOM 252 N CYS A 19 2.514 5.287 -4.801 1.00 0.00 N ATOM 253 CA CYS A 19 1.514 6.253 -4.379 1.00 0.00 C ATOM 254 C CYS A 19 2.127 7.131 -3.286 1.00 0.00 C ATOM 255 O CYS A 19 3.003 6.687 -2.546 1.00 0.00 O ATOM 256 CB CYS A 19 0.229 5.569 -3.909 1.00 0.00 C ATOM 257 SG CYS A 19 -1.228 6.541 -4.440 1.00 0.00 S ATOM 0 H CYS A 19 2.988 4.803 -4.039 1.00 0.00 H new ATOM 0 HA CYS A 19 1.226 6.876 -5.226 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.173 4.561 -4.319 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.235 5.471 -2.823 1.00 0.00 H new ATOM 0 HG CYS A 19 -1.606 6.147 -5.620 1.00 0.00 H new ATOM 263 N LYS A 20 1.641 8.362 -3.219 1.00 0.00 N ATOM 264 CA LYS A 20 2.130 9.307 -2.229 1.00 0.00 C ATOM 265 C LYS A 20 0.999 9.652 -1.258 1.00 0.00 C ATOM 266 O LYS A 20 -0.076 10.077 -1.678 1.00 0.00 O ATOM 267 CB LYS A 20 2.748 10.528 -2.912 1.00 0.00 C ATOM 268 CG LYS A 20 3.643 11.304 -1.944 1.00 0.00 C ATOM 269 CD LYS A 20 3.996 12.682 -2.508 1.00 0.00 C ATOM 270 CE LYS A 20 3.210 13.784 -1.795 1.00 0.00 C ATOM 271 NZ LYS A 20 2.315 14.481 -2.746 1.00 0.00 N ATOM 0 H LYS A 20 0.914 8.727 -3.834 1.00 0.00 H new ATOM 0 HA LYS A 20 2.932 8.861 -1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.331 10.209 -3.776 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.958 11.180 -3.284 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.135 11.418 -0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.556 10.739 -1.755 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.065 12.862 -2.395 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.779 12.708 -3.576 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.623 13.353 -0.983 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.900 14.498 -1.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.789 15.226 -2.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.882 14.908 -3.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.645 13.799 -3.155 1.00 0.00 H new ATOM 285 N ALA A 21 1.280 9.456 0.022 1.00 0.00 N ATOM 286 CA ALA A 21 0.300 9.742 1.055 1.00 0.00 C ATOM 287 C ALA A 21 -0.214 11.173 0.884 1.00 0.00 C ATOM 288 O ALA A 21 0.223 11.890 -0.015 1.00 0.00 O ATOM 289 CB ALA A 21 0.926 9.508 2.432 1.00 0.00 C ATOM 0 H ALA A 21 2.173 9.103 0.367 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.556 9.072 0.967 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.191 9.723 3.207 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.247 8.470 2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.787 10.165 2.557 1.00 0.00 H new ATOM 295 N GLU A 22 -1.135 11.546 1.760 1.00 0.00 N ATOM 296 CA GLU A 22 -1.713 12.878 1.717 1.00 0.00 C ATOM 297 C GLU A 22 -2.811 13.015 2.774 1.00 0.00 C ATOM 298 O GLU A 22 -2.991 14.085 3.353 1.00 0.00 O ATOM 299 CB GLU A 22 -2.252 13.197 0.321 1.00 0.00 C ATOM 300 CG GLU A 22 -3.113 12.050 -0.209 1.00 0.00 C ATOM 301 CD GLU A 22 -4.053 12.535 -1.315 1.00 0.00 C ATOM 302 OE1 GLU A 22 -5.110 13.097 -0.956 1.00 0.00 O ATOM 303 OE2 GLU A 22 -3.692 12.334 -2.495 1.00 0.00 O ATOM 0 H GLU A 22 -1.495 10.949 2.504 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.928 13.601 1.941 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.842 14.113 0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.421 13.378 -0.361 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.472 11.257 -0.594 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.696 11.621 0.606 1.00 0.00 H new ATOM 310 N HIS A 23 -3.518 11.915 2.992 1.00 0.00 N ATOM 311 CA HIS A 23 -4.594 11.899 3.969 1.00 0.00 C ATOM 312 C HIS A 23 -4.008 11.763 5.375 1.00 0.00 C ATOM 313 O HIS A 23 -4.744 11.763 6.361 1.00 0.00 O ATOM 314 CB HIS A 23 -5.609 10.802 3.640 1.00 0.00 C ATOM 315 CG HIS A 23 -6.656 10.595 4.708 1.00 0.00 C ATOM 316 ND1 HIS A 23 -6.389 9.956 5.906 1.00 0.00 N ATOM 317 CD2 HIS A 23 -7.973 10.949 4.746 1.00 0.00 C ATOM 318 CE1 HIS A 23 -7.502 9.931 6.625 1.00 0.00 C ATOM 319 NE2 HIS A 23 -8.482 10.547 5.904 1.00 0.00 N ATOM 0 H HIS A 23 -3.367 11.029 2.509 1.00 0.00 H new ATOM 0 HA HIS A 23 -5.140 12.842 3.931 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.106 11.050 2.702 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.077 9.864 3.481 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.510 11.468 3.966 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.613 9.499 7.609 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -9.448 10.677 6.205 1.00 0.00 H new ATOM 327 N ASP A 24 -2.689 11.650 5.424 1.00 0.00 N ATOM 328 CA ASP A 24 -1.996 11.513 6.694 1.00 0.00 C ATOM 329 C ASP A 24 -2.007 10.044 7.121 1.00 0.00 C ATOM 330 O ASP A 24 -0.956 9.409 7.201 1.00 0.00 O ATOM 331 CB ASP A 24 -2.687 12.328 7.789 1.00 0.00 C ATOM 332 CG ASP A 24 -3.233 13.685 7.338 1.00 0.00 C ATOM 333 OD1 ASP A 24 -2.669 14.228 6.364 1.00 0.00 O ATOM 334 OD2 ASP A 24 -4.202 14.147 7.978 1.00 0.00 O ATOM 0 H ASP A 24 -2.082 11.650 4.605 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.977 11.876 6.562 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.509 11.739 8.195 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.979 12.490 8.602 1.00 0.00 H new ATOM 339 N SER A 25 -3.206 9.546 7.383 1.00 0.00 N ATOM 340 CA SER A 25 -3.367 8.163 7.800 1.00 0.00 C ATOM 341 C SER A 25 -2.793 7.226 6.736 1.00 0.00 C ATOM 342 O SER A 25 -2.183 6.209 7.063 1.00 0.00 O ATOM 343 CB SER A 25 -4.839 7.834 8.059 1.00 0.00 C ATOM 344 OG SER A 25 -5.431 8.734 8.991 1.00 0.00 O ATOM 0 H SER A 25 -4.075 10.075 7.315 1.00 0.00 H new ATOM 0 HA SER A 25 -2.821 8.021 8.733 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.390 7.871 7.119 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.922 6.815 8.437 1.00 0.00 H new ATOM 0 HG SER A 25 -6.371 8.492 9.128 1.00 0.00 H new ATOM 350 N GLU A 26 -3.009 7.601 5.483 1.00 0.00 N ATOM 351 CA GLU A 26 -2.521 6.806 4.369 1.00 0.00 C ATOM 352 C GLU A 26 -1.016 6.568 4.507 1.00 0.00 C ATOM 353 O GLU A 26 -0.355 7.205 5.326 1.00 0.00 O ATOM 354 CB GLU A 26 -2.850 7.475 3.033 1.00 0.00 C ATOM 355 CG GLU A 26 -4.358 7.472 2.776 1.00 0.00 C ATOM 356 CD GLU A 26 -4.704 8.292 1.531 1.00 0.00 C ATOM 357 OE1 GLU A 26 -3.814 8.404 0.660 1.00 0.00 O ATOM 358 OE2 GLU A 26 -5.849 8.789 1.479 1.00 0.00 O ATOM 0 H GLU A 26 -3.515 8.445 5.215 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.025 5.840 4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.480 8.500 3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.339 6.952 2.225 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.707 6.447 2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.879 7.881 3.642 1.00 0.00 H new ATOM 365 N LEU A 27 -0.518 5.649 3.693 1.00 0.00 N ATOM 366 CA LEU A 27 0.897 5.318 3.714 1.00 0.00 C ATOM 367 C LEU A 27 1.510 5.636 2.349 1.00 0.00 C ATOM 368 O LEU A 27 0.803 5.690 1.344 1.00 0.00 O ATOM 369 CB LEU A 27 1.102 3.869 4.158 1.00 0.00 C ATOM 370 CG LEU A 27 0.389 3.455 5.447 1.00 0.00 C ATOM 371 CD1 LEU A 27 0.262 1.933 5.539 1.00 0.00 C ATOM 372 CD2 LEU A 27 1.087 4.047 6.674 1.00 0.00 C ATOM 0 H LEU A 27 -1.069 5.123 3.015 1.00 0.00 H new ATOM 0 HA LEU A 27 1.421 5.929 4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.767 3.213 3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.171 3.697 4.286 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.622 3.862 5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.248 1.666 6.464 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.311 1.564 4.689 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.255 1.484 5.530 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.560 3.738 7.577 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.116 3.691 6.714 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.082 5.135 6.606 1.00 0.00 H new ATOM 384 N SER A 28 2.820 5.838 2.356 1.00 0.00 N ATOM 385 CA SER A 28 3.536 6.149 1.131 1.00 0.00 C ATOM 386 C SER A 28 4.542 5.039 0.817 1.00 0.00 C ATOM 387 O SER A 28 5.347 4.667 1.669 1.00 0.00 O ATOM 388 CB SER A 28 4.251 7.497 1.238 1.00 0.00 C ATOM 389 OG SER A 28 5.260 7.489 2.244 1.00 0.00 O ATOM 0 H SER A 28 3.404 5.792 3.191 1.00 0.00 H new ATOM 0 HA SER A 28 2.812 6.216 0.319 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.700 7.746 0.277 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.523 8.277 1.461 1.00 0.00 H new ATOM 0 HG SER A 28 5.571 6.571 2.388 1.00 0.00 H new ATOM 395 N PHE A 29 4.461 4.541 -0.408 1.00 0.00 N ATOM 396 CA PHE A 29 5.354 3.481 -0.845 1.00 0.00 C ATOM 397 C PHE A 29 5.547 3.518 -2.363 1.00 0.00 C ATOM 398 O PHE A 29 4.894 4.296 -3.056 1.00 0.00 O ATOM 399 CB PHE A 29 4.696 2.155 -0.460 1.00 0.00 C ATOM 400 CG PHE A 29 3.218 2.058 -0.844 1.00 0.00 C ATOM 401 CD1 PHE A 29 2.867 1.722 -2.114 1.00 0.00 C ATOM 402 CD2 PHE A 29 2.256 2.308 0.084 1.00 0.00 C ATOM 403 CE1 PHE A 29 1.495 1.632 -2.471 1.00 0.00 C ATOM 404 CE2 PHE A 29 0.884 2.218 -0.273 1.00 0.00 C ATOM 405 CZ PHE A 29 0.533 1.882 -1.543 1.00 0.00 C ATOM 0 H PHE A 29 3.791 4.852 -1.112 1.00 0.00 H new ATOM 0 HA PHE A 29 6.331 3.602 -0.378 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.239 1.340 -0.938 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.791 2.013 0.617 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.631 1.524 -2.851 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.535 2.575 1.093 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.216 1.365 -3.480 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.120 2.416 0.464 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.510 1.814 -1.815 1.00 0.00 H new ATOM 415 N THR A 30 6.448 2.668 -2.833 1.00 0.00 N ATOM 416 CA THR A 30 6.736 2.594 -4.255 1.00 0.00 C ATOM 417 C THR A 30 6.382 1.209 -4.800 1.00 0.00 C ATOM 418 O THR A 30 6.513 0.209 -4.095 1.00 0.00 O ATOM 419 CB THR A 30 8.205 2.971 -4.461 1.00 0.00 C ATOM 420 OG1 THR A 30 8.916 2.065 -3.622 1.00 0.00 O ATOM 421 CG2 THR A 30 8.541 4.350 -3.889 1.00 0.00 C ATOM 0 H THR A 30 6.988 2.025 -2.254 1.00 0.00 H new ATOM 0 HA THR A 30 6.123 3.297 -4.819 1.00 0.00 H new ATOM 0 HB THR A 30 8.439 2.953 -5.525 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.878 2.238 -3.695 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.595 4.569 -4.062 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.928 5.106 -4.380 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.339 4.359 -2.818 1.00 0.00 H new ATOM 429 N ALA A 31 5.940 1.194 -6.049 1.00 0.00 N ATOM 430 CA ALA A 31 5.566 -0.052 -6.696 1.00 0.00 C ATOM 431 C ALA A 31 6.580 -1.137 -6.327 1.00 0.00 C ATOM 432 O ALA A 31 7.784 -0.947 -6.489 1.00 0.00 O ATOM 433 CB ALA A 31 5.469 0.167 -8.207 1.00 0.00 C ATOM 0 H ALA A 31 5.832 2.025 -6.630 1.00 0.00 H new ATOM 0 HA ALA A 31 4.587 -0.385 -6.352 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.188 -0.768 -8.693 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.715 0.926 -8.417 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.434 0.499 -8.589 1.00 0.00 H new ATOM 439 N GLY A 32 6.055 -2.251 -5.839 1.00 0.00 N ATOM 440 CA GLY A 32 6.899 -3.367 -5.446 1.00 0.00 C ATOM 441 C GLY A 32 6.954 -3.503 -3.923 1.00 0.00 C ATOM 442 O GLY A 32 7.066 -4.610 -3.399 1.00 0.00 O ATOM 0 H GLY A 32 5.055 -2.405 -5.707 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.516 -4.289 -5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.906 -3.222 -5.838 1.00 0.00 H new ATOM 446 N THR A 33 6.872 -2.361 -3.256 1.00 0.00 N ATOM 447 CA THR A 33 6.911 -2.339 -1.803 1.00 0.00 C ATOM 448 C THR A 33 5.975 -3.404 -1.228 1.00 0.00 C ATOM 449 O THR A 33 4.821 -3.510 -1.641 1.00 0.00 O ATOM 450 CB THR A 33 6.572 -0.920 -1.343 1.00 0.00 C ATOM 451 OG1 THR A 33 7.750 -0.171 -1.630 1.00 0.00 O ATOM 452 CG2 THR A 33 6.427 -0.817 0.177 1.00 0.00 C ATOM 0 H THR A 33 6.779 -1.445 -3.694 1.00 0.00 H new ATOM 0 HA THR A 33 7.904 -2.589 -1.430 1.00 0.00 H new ATOM 0 HB THR A 33 5.647 -0.595 -1.819 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.705 0.170 -2.548 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.186 0.210 0.451 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.628 -1.478 0.512 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.363 -1.109 0.652 1.00 0.00 H new ATOM 460 N VAL A 34 6.508 -4.167 -0.284 1.00 0.00 N ATOM 461 CA VAL A 34 5.734 -5.220 0.352 1.00 0.00 C ATOM 462 C VAL A 34 5.291 -4.753 1.740 1.00 0.00 C ATOM 463 O VAL A 34 6.110 -4.302 2.538 1.00 0.00 O ATOM 464 CB VAL A 34 6.546 -6.516 0.388 1.00 0.00 C ATOM 465 CG1 VAL A 34 6.008 -7.471 1.455 1.00 0.00 C ATOM 466 CG2 VAL A 34 6.569 -7.187 -0.987 1.00 0.00 C ATOM 0 H VAL A 34 7.466 -4.077 0.055 1.00 0.00 H new ATOM 0 HA VAL A 34 4.832 -5.433 -0.223 1.00 0.00 H new ATOM 0 HB VAL A 34 7.572 -6.261 0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.603 -8.384 1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.068 -6.994 2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.969 -7.716 1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.153 -8.106 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.550 -7.422 -1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.021 -6.512 -1.714 1.00 0.00 H new ATOM 476 N PHE A 35 3.994 -4.878 1.984 1.00 0.00 N ATOM 477 CA PHE A 35 3.432 -4.475 3.262 1.00 0.00 C ATOM 478 C PHE A 35 3.328 -5.667 4.216 1.00 0.00 C ATOM 479 O PHE A 35 3.009 -6.777 3.795 1.00 0.00 O ATOM 480 CB PHE A 35 2.027 -3.938 2.982 1.00 0.00 C ATOM 481 CG PHE A 35 1.988 -2.799 1.961 1.00 0.00 C ATOM 482 CD1 PHE A 35 2.242 -1.523 2.355 1.00 0.00 C ATOM 483 CD2 PHE A 35 1.699 -3.064 0.658 1.00 0.00 C ATOM 484 CE1 PHE A 35 2.206 -0.466 1.407 1.00 0.00 C ATOM 485 CE2 PHE A 35 1.663 -2.007 -0.290 1.00 0.00 C ATOM 486 CZ PHE A 35 1.917 -0.731 0.105 1.00 0.00 C ATOM 0 H PHE A 35 3.317 -5.252 1.319 1.00 0.00 H new ATOM 0 HA PHE A 35 4.070 -3.725 3.729 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.402 -4.755 2.623 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.590 -3.589 3.917 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.471 -1.313 3.389 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.497 -4.078 0.345 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.408 0.548 1.720 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.434 -2.217 -1.324 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.889 0.073 -0.616 1.00 0.00 H new ATOM 496 N ASP A 36 3.605 -5.395 5.483 1.00 0.00 N ATOM 497 CA ASP A 36 3.548 -6.431 6.500 1.00 0.00 C ATOM 498 C ASP A 36 2.139 -6.476 7.096 1.00 0.00 C ATOM 499 O ASP A 36 1.496 -5.440 7.257 1.00 0.00 O ATOM 500 CB ASP A 36 4.533 -6.144 7.635 1.00 0.00 C ATOM 501 CG ASP A 36 5.820 -6.970 7.598 1.00 0.00 C ATOM 502 OD1 ASP A 36 6.030 -7.648 6.570 1.00 0.00 O ATOM 503 OD2 ASP A 36 6.565 -6.904 8.600 1.00 0.00 O ATOM 0 H ASP A 36 3.869 -4.472 5.828 1.00 0.00 H new ATOM 0 HA ASP A 36 3.807 -7.380 6.030 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.797 -5.087 7.608 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.031 -6.324 8.586 1.00 0.00 H new ATOM 508 N ASN A 37 1.703 -7.687 7.409 1.00 0.00 N ATOM 509 CA ASN A 37 0.382 -7.881 7.984 1.00 0.00 C ATOM 510 C ASN A 37 -0.618 -6.968 7.273 1.00 0.00 C ATOM 511 O ASN A 37 -0.889 -5.860 7.733 1.00 0.00 O ATOM 512 CB ASN A 37 0.372 -7.525 9.472 1.00 0.00 C ATOM 513 CG ASN A 37 -0.685 -8.337 10.223 1.00 0.00 C ATOM 514 OD1 ASN A 37 -1.526 -9.000 9.639 1.00 0.00 O ATOM 515 ND2 ASN A 37 -0.597 -8.248 11.547 1.00 0.00 N ATOM 0 H ASN A 37 2.240 -8.544 7.276 1.00 0.00 H new ATOM 0 HA ASN A 37 0.112 -8.930 7.862 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.355 -7.716 9.902 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.172 -6.460 9.594 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.258 -8.753 12.137 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.132 -7.675 11.972 1.00 0.00 H new ATOM 522 N VAL A 38 -1.141 -7.468 6.162 1.00 0.00 N ATOM 523 CA VAL A 38 -2.105 -6.711 5.383 1.00 0.00 C ATOM 524 C VAL A 38 -3.511 -7.246 5.661 1.00 0.00 C ATOM 525 O VAL A 38 -3.700 -8.451 5.824 1.00 0.00 O ATOM 526 CB VAL A 38 -1.731 -6.756 3.900 1.00 0.00 C ATOM 527 CG1 VAL A 38 -2.842 -6.156 3.035 1.00 0.00 C ATOM 528 CG2 VAL A 38 -0.398 -6.047 3.649 1.00 0.00 C ATOM 0 H VAL A 38 -0.915 -8.388 5.784 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.092 -5.661 5.676 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.614 -7.802 3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.550 -6.201 1.986 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.762 -6.722 3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.006 -5.117 3.322 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.155 -6.093 2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.476 -5.005 3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.389 -6.537 4.223 1.00 0.00 H new ATOM 538 N HIS A 39 -4.463 -6.325 5.706 1.00 0.00 N ATOM 539 CA HIS A 39 -5.846 -6.690 5.961 1.00 0.00 C ATOM 540 C HIS A 39 -6.772 -5.594 5.429 1.00 0.00 C ATOM 541 O HIS A 39 -6.322 -4.491 5.123 1.00 0.00 O ATOM 542 CB HIS A 39 -6.065 -6.981 7.447 1.00 0.00 C ATOM 543 CG HIS A 39 -6.441 -5.767 8.262 1.00 0.00 C ATOM 544 ND1 HIS A 39 -7.699 -5.193 8.216 1.00 0.00 N ATOM 545 CD2 HIS A 39 -5.711 -5.026 9.145 1.00 0.00 C ATOM 546 CE1 HIS A 39 -7.714 -4.153 9.037 1.00 0.00 C ATOM 547 NE2 HIS A 39 -6.481 -4.050 9.611 1.00 0.00 N ATOM 0 H HIS A 39 -4.303 -5.327 5.570 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.087 -7.611 5.430 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.850 -7.731 7.548 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.154 -7.415 7.860 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.681 -5.203 9.418 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.555 -3.501 9.220 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.197 -3.340 10.287 1.00 0.00 H new ATOM 555 N PRO A 40 -8.082 -5.946 5.332 1.00 0.00 N ATOM 556 CA PRO A 40 -9.075 -5.005 4.842 1.00 0.00 C ATOM 557 C PRO A 40 -9.401 -3.951 5.901 1.00 0.00 C ATOM 558 O PRO A 40 -10.001 -4.262 6.929 1.00 0.00 O ATOM 559 CB PRO A 40 -10.275 -5.860 4.466 1.00 0.00 C ATOM 560 CG PRO A 40 -10.086 -7.184 5.189 1.00 0.00 C ATOM 561 CD PRO A 40 -8.650 -7.244 5.685 1.00 0.00 C ATOM 0 HA PRO A 40 -8.725 -4.433 3.983 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -11.206 -5.380 4.767 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.327 -6.008 3.387 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.782 -7.266 6.024 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.293 -8.018 4.519 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.609 -7.415 6.761 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.101 -8.058 5.212 1.00 0.00 H new ATOM 569 N SER A 41 -8.991 -2.724 5.615 1.00 0.00 N ATOM 570 CA SER A 41 -9.232 -1.621 6.530 1.00 0.00 C ATOM 571 C SER A 41 -10.736 -1.419 6.722 1.00 0.00 C ATOM 572 O SER A 41 -11.542 -2.164 6.166 1.00 0.00 O ATOM 573 CB SER A 41 -8.583 -0.332 6.021 1.00 0.00 C ATOM 574 OG SER A 41 -8.361 0.604 7.072 1.00 0.00 O ATOM 0 H SER A 41 -8.493 -2.469 4.762 1.00 0.00 H new ATOM 0 HA SER A 41 -8.780 -1.868 7.491 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.634 -0.569 5.540 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.221 0.120 5.262 1.00 0.00 H new ATOM 0 HG SER A 41 -8.416 0.145 7.936 1.00 0.00 H new ATOM 580 N GLN A 42 -11.069 -0.408 7.510 1.00 0.00 N ATOM 581 CA GLN A 42 -12.463 -0.098 7.782 1.00 0.00 C ATOM 582 C GLN A 42 -13.085 0.636 6.593 1.00 0.00 C ATOM 583 O GLN A 42 -14.293 0.557 6.373 1.00 0.00 O ATOM 584 CB GLN A 42 -12.602 0.721 9.066 1.00 0.00 C ATOM 585 CG GLN A 42 -13.347 -0.070 10.143 1.00 0.00 C ATOM 586 CD GLN A 42 -14.857 0.148 10.038 1.00 0.00 C ATOM 587 OE1 GLN A 42 -15.443 0.961 10.733 1.00 0.00 O ATOM 588 NE2 GLN A 42 -15.453 -0.621 9.131 1.00 0.00 N ATOM 0 H GLN A 42 -10.398 0.208 7.969 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.002 -1.034 7.928 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.614 1.000 9.433 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.137 1.647 8.855 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.121 -1.131 10.041 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.000 0.236 11.130 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -14.903 -1.282 8.582 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -16.460 -0.550 8.984 1.00 0.00 H new ATOM 597 N GLU A 43 -12.232 1.333 5.856 1.00 0.00 N ATOM 598 CA GLU A 43 -12.683 2.081 4.695 1.00 0.00 C ATOM 599 C GLU A 43 -12.998 1.128 3.540 1.00 0.00 C ATOM 600 O GLU A 43 -12.494 0.007 3.500 1.00 0.00 O ATOM 601 CB GLU A 43 -11.646 3.125 4.278 1.00 0.00 C ATOM 602 CG GLU A 43 -11.817 4.418 5.078 1.00 0.00 C ATOM 603 CD GLU A 43 -11.725 4.149 6.581 1.00 0.00 C ATOM 604 OE1 GLU A 43 -10.885 3.303 6.956 1.00 0.00 O ATOM 605 OE2 GLU A 43 -12.497 4.797 7.322 1.00 0.00 O ATOM 0 H GLU A 43 -11.231 1.395 6.041 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.597 2.612 4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.643 2.728 4.432 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.745 3.336 3.213 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.050 5.135 4.786 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.781 4.870 4.844 1.00 0.00 H new ATOM 612 N PRO A 44 -13.851 1.623 2.603 1.00 0.00 N ATOM 613 CA PRO A 44 -14.238 0.828 1.450 1.00 0.00 C ATOM 614 C PRO A 44 -13.102 0.756 0.427 1.00 0.00 C ATOM 615 O PRO A 44 -12.690 1.777 -0.121 1.00 0.00 O ATOM 616 CB PRO A 44 -15.485 1.506 0.906 1.00 0.00 C ATOM 617 CG PRO A 44 -15.483 2.911 1.487 1.00 0.00 C ATOM 618 CD PRO A 44 -14.467 2.946 2.617 1.00 0.00 C ATOM 0 HA PRO A 44 -14.445 -0.211 1.706 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.471 1.534 -0.184 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.384 0.963 1.199 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.226 3.641 0.720 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.474 3.173 1.857 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.726 3.729 2.459 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.947 3.149 3.574 1.00 0.00 H new ATOM 626 N GLY A 45 -12.629 -0.461 0.201 1.00 0.00 N ATOM 627 CA GLY A 45 -11.549 -0.679 -0.746 1.00 0.00 C ATOM 628 C GLY A 45 -10.251 -0.034 -0.256 1.00 0.00 C ATOM 629 O GLY A 45 -9.554 0.627 -1.024 1.00 0.00 O ATOM 0 H GLY A 45 -12.974 -1.306 0.657 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.396 -1.749 -0.889 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.822 -0.264 -1.716 1.00 0.00 H new ATOM 633 N TRP A 46 -9.966 -0.248 1.020 1.00 0.00 N ATOM 634 CA TRP A 46 -8.764 0.304 1.621 1.00 0.00 C ATOM 635 C TRP A 46 -8.177 -0.752 2.560 1.00 0.00 C ATOM 636 O TRP A 46 -8.826 -1.165 3.519 1.00 0.00 O ATOM 637 CB TRP A 46 -9.063 1.630 2.325 1.00 0.00 C ATOM 638 CG TRP A 46 -9.281 2.805 1.371 1.00 0.00 C ATOM 639 CD1 TRP A 46 -10.444 3.334 0.966 1.00 0.00 C ATOM 640 CD2 TRP A 46 -8.257 3.582 0.715 1.00 0.00 C ATOM 641 NE1 TRP A 46 -10.246 4.390 0.100 1.00 0.00 N ATOM 642 CE2 TRP A 46 -8.873 4.546 -0.057 1.00 0.00 C ATOM 643 CE3 TRP A 46 -6.857 3.475 0.772 1.00 0.00 C ATOM 644 CZ2 TRP A 46 -8.167 5.475 -0.831 1.00 0.00 C ATOM 645 CZ3 TRP A 46 -6.166 4.411 -0.006 1.00 0.00 C ATOM 646 CH2 TRP A 46 -6.771 5.387 -0.789 1.00 0.00 C ATOM 0 H TRP A 46 -10.547 -0.796 1.654 1.00 0.00 H new ATOM 0 HA TRP A 46 -8.024 0.540 0.857 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -9.952 1.508 2.944 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -8.237 1.868 2.995 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -11.415 2.978 1.278 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -10.973 4.952 -0.343 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -6.354 2.729 1.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -8.673 6.219 -1.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -5.087 4.372 0.003 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -6.167 6.074 -1.362 1.00 0.00 H new ATOM 657 N LEU A 47 -6.954 -1.158 2.250 1.00 0.00 N ATOM 658 CA LEU A 47 -6.272 -2.158 3.054 1.00 0.00 C ATOM 659 C LEU A 47 -5.493 -1.463 4.172 1.00 0.00 C ATOM 660 O LEU A 47 -4.963 -0.370 3.978 1.00 0.00 O ATOM 661 CB LEU A 47 -5.406 -3.057 2.169 1.00 0.00 C ATOM 662 CG LEU A 47 -6.136 -3.796 1.045 1.00 0.00 C ATOM 663 CD1 LEU A 47 -5.149 -4.558 0.159 1.00 0.00 C ATOM 664 CD2 LEU A 47 -7.226 -4.710 1.608 1.00 0.00 C ATOM 0 H LEU A 47 -6.418 -0.813 1.454 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.994 -2.820 3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.620 -2.447 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.916 -3.795 2.804 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.630 -3.057 0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.693 -5.074 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.442 -3.857 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.607 -5.287 0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.729 -5.223 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.776 -5.445 2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.951 -4.113 2.162 1.00 0.00 H new ATOM 676 N GLU A 48 -5.449 -2.124 5.319 1.00 0.00 N ATOM 677 CA GLU A 48 -4.745 -1.584 6.469 1.00 0.00 C ATOM 678 C GLU A 48 -3.600 -2.514 6.876 1.00 0.00 C ATOM 679 O GLU A 48 -3.828 -3.544 7.508 1.00 0.00 O ATOM 680 CB GLU A 48 -5.703 -1.349 7.638 1.00 0.00 C ATOM 681 CG GLU A 48 -5.068 -0.439 8.692 1.00 0.00 C ATOM 682 CD GLU A 48 -6.136 0.365 9.437 1.00 0.00 C ATOM 683 OE1 GLU A 48 -6.937 -0.279 10.149 1.00 0.00 O ATOM 684 OE2 GLU A 48 -6.128 1.605 9.277 1.00 0.00 O ATOM 0 H GLU A 48 -5.890 -3.030 5.477 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.321 -0.619 6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.626 -0.899 7.272 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.972 -2.304 8.091 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.499 -1.040 9.402 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.363 0.241 8.214 1.00 0.00 H new ATOM 691 N GLY A 49 -2.394 -2.117 6.497 1.00 0.00 N ATOM 692 CA GLY A 49 -1.214 -2.902 6.814 1.00 0.00 C ATOM 693 C GLY A 49 -0.203 -2.075 7.611 1.00 0.00 C ATOM 694 O GLY A 49 -0.514 -0.973 8.061 1.00 0.00 O ATOM 0 H GLY A 49 -2.209 -1.262 5.973 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.502 -3.783 7.388 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.752 -3.259 5.893 1.00 0.00 H new ATOM 698 N THR A 50 0.987 -2.638 7.761 1.00 0.00 N ATOM 699 CA THR A 50 2.045 -1.967 8.496 1.00 0.00 C ATOM 700 C THR A 50 3.284 -1.799 7.613 1.00 0.00 C ATOM 701 O THR A 50 3.931 -2.781 7.253 1.00 0.00 O ATOM 702 CB THR A 50 2.313 -2.764 9.774 1.00 0.00 C ATOM 703 OG1 THR A 50 1.088 -2.682 10.497 1.00 0.00 O ATOM 704 CG2 THR A 50 3.332 -2.080 10.688 1.00 0.00 C ATOM 0 H THR A 50 1.242 -3.552 7.386 1.00 0.00 H new ATOM 0 HA THR A 50 1.749 -0.958 8.782 1.00 0.00 H new ATOM 0 HB THR A 50 2.671 -3.760 9.513 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.191 -2.057 11.245 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.486 -2.687 11.580 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.278 -1.968 10.158 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.959 -1.097 10.977 1.00 0.00 H new ATOM 712 N LEU A 51 3.577 -0.548 7.291 1.00 0.00 N ATOM 713 CA LEU A 51 4.726 -0.240 6.457 1.00 0.00 C ATOM 714 C LEU A 51 5.819 0.396 7.318 1.00 0.00 C ATOM 715 O LEU A 51 5.758 1.585 7.627 1.00 0.00 O ATOM 716 CB LEU A 51 4.306 0.620 5.263 1.00 0.00 C ATOM 717 CG LEU A 51 5.444 1.258 4.463 1.00 0.00 C ATOM 718 CD1 LEU A 51 6.183 0.209 3.629 1.00 0.00 C ATOM 719 CD2 LEU A 51 4.929 2.414 3.604 1.00 0.00 C ATOM 0 H LEU A 51 3.039 0.264 7.593 1.00 0.00 H new ATOM 0 HA LEU A 51 5.144 -1.152 6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.714 0.003 4.587 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.653 1.414 5.624 1.00 0.00 H new ATOM 0 HG LEU A 51 6.164 1.676 5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.987 0.689 3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.603 -0.551 4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.487 -0.259 2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.758 2.850 3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.177 2.043 2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.484 3.174 4.246 1.00 0.00 H new ATOM 731 N ASN A 52 6.794 -0.425 7.681 1.00 0.00 N ATOM 732 CA ASN A 52 7.899 0.043 8.501 1.00 0.00 C ATOM 733 C ASN A 52 7.359 0.535 9.845 1.00 0.00 C ATOM 734 O ASN A 52 7.260 1.739 10.075 1.00 0.00 O ATOM 735 CB ASN A 52 8.629 1.208 7.829 1.00 0.00 C ATOM 736 CG ASN A 52 9.683 0.700 6.844 1.00 0.00 C ATOM 737 OD1 ASN A 52 10.100 -0.446 6.877 1.00 0.00 O ATOM 738 ND2 ASN A 52 10.089 1.614 5.967 1.00 0.00 N ATOM 0 H ASN A 52 6.842 -1.411 7.423 1.00 0.00 H new ATOM 0 HA ASN A 52 8.593 -0.787 8.637 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.910 1.838 7.305 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.105 1.830 8.587 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.791 1.373 5.267 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.699 2.556 5.995 1.00 0.00 H new ATOM 745 N GLY A 53 7.024 -0.422 10.698 1.00 0.00 N ATOM 746 CA GLY A 53 6.497 -0.102 12.014 1.00 0.00 C ATOM 747 C GLY A 53 5.555 1.102 11.948 1.00 0.00 C ATOM 748 O GLY A 53 5.580 1.963 12.826 1.00 0.00 O ATOM 0 H GLY A 53 7.107 -1.420 10.503 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.964 -0.964 12.416 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.319 0.112 12.697 1.00 0.00 H new ATOM 752 N LYS A 54 4.745 1.123 10.899 1.00 0.00 N ATOM 753 CA LYS A 54 3.796 2.206 10.707 1.00 0.00 C ATOM 754 C LYS A 54 2.549 1.667 10.005 1.00 0.00 C ATOM 755 O LYS A 54 2.629 1.175 8.880 1.00 0.00 O ATOM 756 CB LYS A 54 4.458 3.375 9.975 1.00 0.00 C ATOM 757 CG LYS A 54 3.627 4.652 10.115 1.00 0.00 C ATOM 758 CD LYS A 54 4.309 5.830 9.417 1.00 0.00 C ATOM 759 CE LYS A 54 3.700 6.076 8.035 1.00 0.00 C ATOM 760 NZ LYS A 54 4.270 7.299 7.428 1.00 0.00 N ATOM 0 H LYS A 54 4.727 0.407 10.173 1.00 0.00 H new ATOM 0 HA LYS A 54 3.473 2.605 11.669 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.457 3.541 10.377 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.576 3.128 8.920 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.637 4.495 9.687 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.484 4.883 11.171 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.208 6.727 10.028 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.376 5.630 9.318 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.891 5.219 7.389 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.618 6.176 8.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.846 7.451 6.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.066 8.117 8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.299 7.190 7.329 1.00 0.00 H new ATOM 774 N THR A 55 1.424 1.779 10.696 1.00 0.00 N ATOM 775 CA THR A 55 0.161 1.310 10.153 1.00 0.00 C ATOM 776 C THR A 55 -0.638 2.479 9.574 1.00 0.00 C ATOM 777 O THR A 55 -0.672 3.561 10.157 1.00 0.00 O ATOM 778 CB THR A 55 -0.579 0.556 11.259 1.00 0.00 C ATOM 779 OG1 THR A 55 0.177 -0.639 11.431 1.00 0.00 O ATOM 780 CG2 THR A 55 -1.957 0.065 10.812 1.00 0.00 C ATOM 0 H THR A 55 1.361 2.188 11.628 1.00 0.00 H new ATOM 0 HA THR A 55 0.319 0.623 9.322 1.00 0.00 H new ATOM 0 HB THR A 55 -0.689 1.204 12.128 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.002 -1.250 10.686 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.439 -0.463 11.634 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.570 0.918 10.519 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.845 -0.610 9.963 1.00 0.00 H new ATOM 788 N GLY A 56 -1.262 2.221 8.434 1.00 0.00 N ATOM 789 CA GLY A 56 -2.058 3.238 7.770 1.00 0.00 C ATOM 790 C GLY A 56 -3.008 2.611 6.747 1.00 0.00 C ATOM 791 O GLY A 56 -3.130 1.389 6.677 1.00 0.00 O ATOM 0 H GLY A 56 -1.232 1.322 7.953 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.632 3.796 8.510 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.401 3.951 7.272 1.00 0.00 H new ATOM 795 N LEU A 57 -3.655 3.475 5.979 1.00 0.00 N ATOM 796 CA LEU A 57 -4.589 3.021 4.964 1.00 0.00 C ATOM 797 C LEU A 57 -3.846 2.835 3.639 1.00 0.00 C ATOM 798 O LEU A 57 -2.976 3.634 3.294 1.00 0.00 O ATOM 799 CB LEU A 57 -5.784 3.972 4.871 1.00 0.00 C ATOM 800 CG LEU A 57 -6.571 4.189 6.165 1.00 0.00 C ATOM 801 CD1 LEU A 57 -7.610 5.299 5.995 1.00 0.00 C ATOM 802 CD2 LEU A 57 -7.202 2.882 6.649 1.00 0.00 C ATOM 0 H LEU A 57 -3.550 4.488 6.040 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.004 2.051 5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.426 4.940 4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.468 3.591 4.113 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.875 4.515 6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.155 5.433 6.929 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.108 6.230 5.731 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.308 5.026 5.203 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.755 3.064 7.570 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.882 2.502 5.886 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.419 2.147 6.836 1.00 0.00 H new ATOM 814 N ILE A 58 -4.216 1.777 2.933 1.00 0.00 N ATOM 815 CA ILE A 58 -3.595 1.477 1.654 1.00 0.00 C ATOM 816 C ILE A 58 -4.683 1.179 0.621 1.00 0.00 C ATOM 817 O ILE A 58 -5.681 0.530 0.934 1.00 0.00 O ATOM 818 CB ILE A 58 -2.568 0.353 1.808 1.00 0.00 C ATOM 819 CG1 ILE A 58 -1.490 0.730 2.825 1.00 0.00 C ATOM 820 CG2 ILE A 58 -1.969 -0.031 0.453 1.00 0.00 C ATOM 821 CD1 ILE A 58 -1.045 -0.491 3.632 1.00 0.00 C ATOM 0 H ILE A 58 -4.938 1.117 3.222 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.037 2.340 1.289 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.081 -0.528 2.195 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.632 1.161 2.308 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.873 1.496 3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.242 -0.832 0.590 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.763 -0.371 -0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.475 0.836 0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.278 -0.194 4.348 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.900 -0.905 4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.640 -1.245 2.957 1.00 0.00 H new ATOM 833 N PRO A 59 -4.449 1.679 -0.622 1.00 0.00 N ATOM 834 CA PRO A 59 -5.398 1.472 -1.703 1.00 0.00 C ATOM 835 C PRO A 59 -5.326 0.038 -2.229 1.00 0.00 C ATOM 836 O PRO A 59 -4.283 -0.398 -2.714 1.00 0.00 O ATOM 837 CB PRO A 59 -5.030 2.509 -2.752 1.00 0.00 C ATOM 838 CG PRO A 59 -3.610 2.944 -2.428 1.00 0.00 C ATOM 839 CD PRO A 59 -3.279 2.451 -1.029 1.00 0.00 C ATOM 0 HA PRO A 59 -6.433 1.596 -1.384 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.090 2.088 -3.756 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.715 3.356 -2.721 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.909 2.531 -3.154 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.522 4.029 -2.481 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.379 1.836 -1.028 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.097 3.283 -0.349 1.00 0.00 H new ATOM 847 N GLU A 60 -6.448 -0.657 -2.115 1.00 0.00 N ATOM 848 CA GLU A 60 -6.526 -2.034 -2.573 1.00 0.00 C ATOM 849 C GLU A 60 -6.295 -2.104 -4.084 1.00 0.00 C ATOM 850 O GLU A 60 -5.922 -3.152 -4.610 1.00 0.00 O ATOM 851 CB GLU A 60 -7.868 -2.664 -2.193 1.00 0.00 C ATOM 852 CG GLU A 60 -8.150 -3.906 -3.040 1.00 0.00 C ATOM 853 CD GLU A 60 -9.096 -4.863 -2.312 1.00 0.00 C ATOM 854 OE1 GLU A 60 -8.975 -4.945 -1.070 1.00 0.00 O ATOM 855 OE2 GLU A 60 -9.918 -5.491 -3.013 1.00 0.00 O ATOM 0 H GLU A 60 -7.311 -0.292 -1.712 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.741 -2.606 -2.078 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.861 -2.934 -1.137 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.668 -1.936 -2.331 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.589 -3.609 -3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.214 -4.416 -3.266 1.00 0.00 H new ATOM 862 N ASN A 61 -6.527 -0.976 -4.739 1.00 0.00 N ATOM 863 CA ASN A 61 -6.349 -0.897 -6.179 1.00 0.00 C ATOM 864 C ASN A 61 -4.913 -0.469 -6.488 1.00 0.00 C ATOM 865 O ASN A 61 -4.628 0.013 -7.583 1.00 0.00 O ATOM 866 CB ASN A 61 -7.294 0.138 -6.794 1.00 0.00 C ATOM 867 CG ASN A 61 -6.903 1.556 -6.374 1.00 0.00 C ATOM 868 OD1 ASN A 61 -7.054 1.956 -5.231 1.00 0.00 O ATOM 869 ND2 ASN A 61 -6.393 2.290 -7.358 1.00 0.00 N ATOM 0 H ASN A 61 -6.837 -0.109 -4.299 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.565 -1.879 -6.601 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.270 0.057 -7.881 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.318 -0.068 -6.482 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.100 3.251 -7.179 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.294 1.893 -8.292 1.00 0.00 H new ATOM 876 N TYR A 62 -4.048 -0.661 -5.504 1.00 0.00 N ATOM 877 CA TYR A 62 -2.648 -0.301 -5.657 1.00 0.00 C ATOM 878 C TYR A 62 -1.740 -1.332 -4.985 1.00 0.00 C ATOM 879 O TYR A 62 -0.562 -1.068 -4.749 1.00 0.00 O ATOM 880 CB TYR A 62 -2.480 1.046 -4.952 1.00 0.00 C ATOM 881 CG TYR A 62 -2.047 2.184 -5.879 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.818 2.512 -6.975 1.00 0.00 C ATOM 883 CD2 TYR A 62 -0.885 2.882 -5.618 1.00 0.00 C ATOM 884 CE1 TYR A 62 -2.411 3.583 -7.847 1.00 0.00 C ATOM 885 CE2 TYR A 62 -0.478 3.953 -6.491 1.00 0.00 C ATOM 886 CZ TYR A 62 -1.261 4.251 -7.562 1.00 0.00 C ATOM 887 OH TYR A 62 -0.876 5.262 -8.386 1.00 0.00 O ATOM 0 H TYR A 62 -4.289 -1.061 -4.597 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.376 -0.258 -6.712 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.423 1.316 -4.478 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.743 0.939 -4.156 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.727 1.965 -7.179 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.282 2.625 -4.760 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.006 3.850 -8.708 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.429 4.507 -6.299 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.037 5.649 -8.059 1.00 0.00 H new ATOM 897 N VAL A 63 -2.322 -2.487 -4.694 1.00 0.00 N ATOM 898 CA VAL A 63 -1.580 -3.559 -4.054 1.00 0.00 C ATOM 899 C VAL A 63 -1.848 -4.871 -4.793 1.00 0.00 C ATOM 900 O VAL A 63 -2.676 -4.918 -5.702 1.00 0.00 O ATOM 901 CB VAL A 63 -1.936 -3.626 -2.567 1.00 0.00 C ATOM 902 CG1 VAL A 63 -1.372 -2.420 -1.813 1.00 0.00 C ATOM 903 CG2 VAL A 63 -3.449 -3.737 -2.370 1.00 0.00 C ATOM 0 H VAL A 63 -3.299 -2.703 -4.890 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.508 -3.368 -4.110 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.477 -4.524 -2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.639 -2.492 -0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.287 -2.404 -1.912 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.788 -1.503 -2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.675 -3.783 -1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.938 -2.866 -2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.814 -4.641 -2.858 1.00 0.00 H new ATOM 913 N GLU A 64 -1.134 -5.906 -4.375 1.00 0.00 N ATOM 914 CA GLU A 64 -1.285 -7.215 -4.986 1.00 0.00 C ATOM 915 C GLU A 64 -0.877 -8.311 -3.999 1.00 0.00 C ATOM 916 O GLU A 64 0.270 -8.755 -3.997 1.00 0.00 O ATOM 917 CB GLU A 64 -0.474 -7.314 -6.279 1.00 0.00 C ATOM 918 CG GLU A 64 -0.199 -8.774 -6.645 1.00 0.00 C ATOM 919 CD GLU A 64 -0.257 -8.980 -8.160 1.00 0.00 C ATOM 920 OE1 GLU A 64 -1.391 -9.077 -8.676 1.00 0.00 O ATOM 921 OE2 GLU A 64 0.834 -9.037 -8.767 1.00 0.00 O ATOM 0 H GLU A 64 -0.449 -5.864 -3.620 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.335 -7.355 -5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.016 -6.828 -7.090 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.470 -6.781 -6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.782 -9.068 -6.272 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.931 -9.419 -6.158 1.00 0.00 H new ATOM 928 N PHE A 65 -1.839 -8.716 -3.183 1.00 0.00 N ATOM 929 CA PHE A 65 -1.595 -9.752 -2.194 1.00 0.00 C ATOM 930 C PHE A 65 -0.692 -10.850 -2.760 1.00 0.00 C ATOM 931 O PHE A 65 -0.932 -11.351 -3.858 1.00 0.00 O ATOM 932 CB PHE A 65 -2.953 -10.359 -1.837 1.00 0.00 C ATOM 933 CG PHE A 65 -3.772 -9.519 -0.855 1.00 0.00 C ATOM 934 CD1 PHE A 65 -3.600 -9.679 0.485 1.00 0.00 C ATOM 935 CD2 PHE A 65 -4.671 -8.612 -1.321 1.00 0.00 C ATOM 936 CE1 PHE A 65 -4.359 -8.899 1.396 1.00 0.00 C ATOM 937 CE2 PHE A 65 -5.431 -7.832 -0.410 1.00 0.00 C ATOM 938 CZ PHE A 65 -5.259 -7.992 0.930 1.00 0.00 C ATOM 0 H PHE A 65 -2.789 -8.345 -3.187 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.099 -9.324 -1.323 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.530 -10.495 -2.752 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.796 -11.349 -1.409 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.886 -10.400 0.856 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.807 -8.485 -2.385 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.222 -9.026 2.460 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.145 -7.112 -0.781 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.837 -7.399 1.623 1.00 0.00 H new ATOM 948 N LEU A 66 0.328 -11.191 -1.986 1.00 0.00 N ATOM 949 CA LEU A 66 1.268 -12.220 -2.397 1.00 0.00 C ATOM 950 C LEU A 66 0.793 -13.577 -1.874 1.00 0.00 C ATOM 951 O LEU A 66 0.488 -14.476 -2.657 1.00 0.00 O ATOM 952 CB LEU A 66 2.688 -11.855 -1.958 1.00 0.00 C ATOM 953 CG LEU A 66 3.110 -10.403 -2.196 1.00 0.00 C ATOM 954 CD1 LEU A 66 3.821 -9.832 -0.967 1.00 0.00 C ATOM 955 CD2 LEU A 66 3.963 -10.281 -3.460 1.00 0.00 C ATOM 0 H LEU A 66 0.524 -10.773 -1.077 1.00 0.00 H new ATOM 0 HA LEU A 66 1.303 -12.291 -3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.785 -12.071 -0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.388 -12.507 -2.481 1.00 0.00 H new ATOM 0 HG LEU A 66 2.212 -9.806 -2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.111 -8.799 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.149 -9.865 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.711 -10.424 -0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.250 -9.240 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.859 -10.893 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.389 -10.624 -4.321 1.00 0.00 H new ATOM 967 N SER A 67 0.744 -13.683 -0.554 1.00 0.00 N ATOM 968 CA SER A 67 0.311 -14.915 0.082 1.00 0.00 C ATOM 969 C SER A 67 -1.217 -14.998 0.077 1.00 0.00 C ATOM 970 O SER A 67 -1.897 -13.974 0.047 1.00 0.00 O ATOM 971 CB SER A 67 0.843 -15.012 1.513 1.00 0.00 C ATOM 972 OG SER A 67 1.905 -15.956 1.625 1.00 0.00 O ATOM 0 H SER A 67 0.997 -12.936 0.092 1.00 0.00 H new ATOM 0 HA SER A 67 0.716 -15.753 -0.485 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.193 -14.032 1.837 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.032 -15.298 2.183 1.00 0.00 H new ATOM 0 HG SER A 67 2.218 -15.987 2.553 1.00 0.00 H new ATOM 978 N GLY A 68 -1.711 -16.227 0.107 1.00 0.00 N ATOM 979 CA GLY A 68 -3.146 -16.456 0.106 1.00 0.00 C ATOM 980 C GLY A 68 -3.471 -17.892 -0.311 1.00 0.00 C ATOM 981 O GLY A 68 -2.576 -18.729 -0.418 1.00 0.00 O ATOM 0 H GLY A 68 -1.144 -17.074 0.132 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.550 -16.262 1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.629 -15.757 -0.577 1.00 0.00 H new ATOM 985 N PRO A 69 -4.788 -18.139 -0.542 1.00 0.00 N ATOM 986 CA PRO A 69 -5.243 -19.458 -0.946 1.00 0.00 C ATOM 987 C PRO A 69 -4.899 -19.732 -2.412 1.00 0.00 C ATOM 988 O PRO A 69 -4.425 -20.816 -2.750 1.00 0.00 O ATOM 989 CB PRO A 69 -6.739 -19.459 -0.677 1.00 0.00 C ATOM 990 CG PRO A 69 -7.144 -17.997 -0.572 1.00 0.00 C ATOM 991 CD PRO A 69 -5.876 -17.172 -0.426 1.00 0.00 C ATOM 0 HA PRO A 69 -4.752 -20.259 -0.393 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -7.280 -19.958 -1.481 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -6.970 -19.996 0.243 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.699 -17.690 -1.458 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -7.800 -17.843 0.285 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.810 -16.407 -1.200 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -5.847 -16.657 0.534 1.00 0.00 H new ATOM 999 N SER A 70 -5.151 -18.731 -3.242 1.00 0.00 N ATOM 1000 CA SER A 70 -4.874 -18.851 -4.664 1.00 0.00 C ATOM 1001 C SER A 70 -5.627 -20.049 -5.245 1.00 0.00 C ATOM 1002 O SER A 70 -5.107 -21.163 -5.266 1.00 0.00 O ATOM 1003 CB SER A 70 -3.373 -18.991 -4.922 1.00 0.00 C ATOM 1004 OG SER A 70 -2.987 -18.404 -6.162 1.00 0.00 O ATOM 0 H SER A 70 -5.544 -17.834 -2.958 1.00 0.00 H new ATOM 0 HA SER A 70 -5.217 -17.941 -5.157 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.820 -18.519 -4.110 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.102 -20.047 -4.921 1.00 0.00 H new ATOM 0 HG SER A 70 -2.021 -18.513 -6.289 1.00 0.00 H new ATOM 1010 N SER A 71 -6.841 -19.779 -5.702 1.00 0.00 N ATOM 1011 CA SER A 71 -7.671 -20.821 -6.282 1.00 0.00 C ATOM 1012 C SER A 71 -6.900 -21.552 -7.383 1.00 0.00 C ATOM 1013 O SER A 71 -6.271 -20.920 -8.229 1.00 0.00 O ATOM 1014 CB SER A 71 -8.973 -20.242 -6.841 1.00 0.00 C ATOM 1015 OG SER A 71 -9.698 -19.512 -5.855 1.00 0.00 O ATOM 0 H SER A 71 -7.270 -18.854 -5.682 1.00 0.00 H new ATOM 0 HA SER A 71 -7.929 -21.530 -5.495 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.747 -19.588 -7.683 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.595 -21.051 -7.224 1.00 0.00 H new ATOM 0 HG SER A 71 -10.521 -19.157 -6.250 1.00 0.00 H new ATOM 1021 N GLY A 72 -6.975 -22.874 -7.335 1.00 0.00 N ATOM 1022 CA GLY A 72 -6.292 -23.698 -8.318 1.00 0.00 C ATOM 1023 C GLY A 72 -5.718 -24.961 -7.671 1.00 0.00 C ATOM 1024 O GLY A 72 -4.874 -25.635 -8.259 1.00 0.00 O ATOM 0 H GLY A 72 -7.498 -23.395 -6.631 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.986 -23.975 -9.111 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.489 -23.126 -8.783 1.00 0.00 H new TER 1028 GLY A 72