USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 668 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 29 CYS SG : rot 180:sc= -0.572 USER MOD Set 1.2: A 30 GLN : amide:sc= -0.457 X(o=-1,f=-1.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0 (180deg=-0.00126) USER MOD Single : A 2 CYS SG : rot 180:sc= -0.0638 USER MOD Single : A 7 GLN : amide:sc= -0.277 K(o=-0.28,f=-1.8!) USER MOD Single : A 9 LYS NZ :NH3+ -144:sc= -0.522 (180deg=-1.83!) USER MOD Single : A 10 CYS SG : rot 111:sc= -6.33! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.023) USER MOD Single : A 18 SER OG : rot -116:sc= 0.33 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 126:sc= 0.939 USER MOD Single : A 35 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00599) USER MOD Single : A 37 CYS SG : rot 93:sc= -0.751! USER MOD Single : A 41 GLN :FLIP amide:sc= -0.182 F(o=-0.76,f=-0.18) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 90:sc= -1.34 USER MOD Single : A 50 CYS SG : rot 8:sc= -1.58! USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.49! USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.833 USER MOD Single : A 62 CYS SG : rot -80:sc= -0.431 USER MOD Single : A 68 ASN : amide:sc= -0.0271 K(o=-0.027,f=-1.2) USER MOD Single : A 76 THR OG1 : rot -90:sc=0.000262 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.0379 X(o=-0.038,f=-0.37) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 75:sc= 0.992 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 80.303 -8.375 -1.005 1.00 0.00 N ATOM 2 CA MET A 1 80.095 -8.695 0.437 1.00 0.00 C ATOM 3 C MET A 1 81.359 -8.374 1.237 1.00 0.00 C ATOM 4 O MET A 1 81.301 -7.792 2.302 1.00 0.00 O ATOM 5 CB MET A 1 79.805 -10.196 0.471 1.00 0.00 C ATOM 6 CG MET A 1 78.403 -10.433 1.031 1.00 0.00 C ATOM 7 SD MET A 1 78.380 -11.984 1.964 1.00 0.00 S ATOM 8 CE MET A 1 76.676 -11.865 2.560 1.00 0.00 C ATOM 0 H1 MET A 1 79.432 -8.581 -1.535 1.00 0.00 H new ATOM 0 H2 MET A 1 80.540 -7.367 -1.106 1.00 0.00 H new ATOM 0 H3 MET A 1 81.082 -8.953 -1.380 1.00 0.00 H new ATOM 0 HA MET A 1 79.285 -8.113 0.877 1.00 0.00 H new ATOM 0 HB2 MET A 1 79.883 -10.615 -0.532 1.00 0.00 H new ATOM 0 HB3 MET A 1 80.545 -10.706 1.087 1.00 0.00 H new ATOM 0 HG2 MET A 1 78.113 -9.604 1.676 1.00 0.00 H new ATOM 0 HG3 MET A 1 77.677 -10.474 0.219 1.00 0.00 H new ATOM 0 HE1 MET A 1 76.442 -12.737 3.171 1.00 0.00 H new ATOM 0 HE2 MET A 1 76.562 -10.961 3.159 1.00 0.00 H new ATOM 0 HE3 MET A 1 75.995 -11.825 1.710 1.00 0.00 H new ATOM 18 N CYS A 2 82.502 -8.750 0.729 1.00 0.00 N ATOM 19 CA CYS A 2 83.771 -8.465 1.455 1.00 0.00 C ATOM 20 C CYS A 2 84.956 -9.083 0.706 1.00 0.00 C ATOM 21 O CYS A 2 85.648 -9.940 1.217 1.00 0.00 O ATOM 22 CB CYS A 2 83.604 -9.120 2.826 1.00 0.00 C ATOM 23 SG CYS A 2 83.838 -7.876 4.120 1.00 0.00 S ATOM 0 H CYS A 2 82.611 -9.242 -0.158 1.00 0.00 H new ATOM 0 HA CYS A 2 83.967 -7.396 1.538 1.00 0.00 H new ATOM 0 HB2 CYS A 2 82.613 -9.566 2.910 1.00 0.00 H new ATOM 0 HB3 CYS A 2 84.327 -9.926 2.946 1.00 0.00 H new ATOM 0 HG CYS A 2 83.694 -8.431 5.287 1.00 0.00 H new ATOM 29 N ALA A 3 85.193 -8.652 -0.503 1.00 0.00 N ATOM 30 CA ALA A 3 86.333 -9.213 -1.284 1.00 0.00 C ATOM 31 C ALA A 3 87.019 -8.105 -2.089 1.00 0.00 C ATOM 32 O ALA A 3 86.797 -7.957 -3.275 1.00 0.00 O ATOM 33 CB ALA A 3 85.700 -10.244 -2.219 1.00 0.00 C ATOM 0 H ALA A 3 84.647 -7.937 -0.984 1.00 0.00 H new ATOM 0 HA ALA A 3 87.095 -9.657 -0.644 1.00 0.00 H new ATOM 0 HB1 ALA A 3 86.475 -10.705 -2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 3 85.200 -11.012 -1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 3 84.973 -9.752 -2.865 1.00 0.00 H new ATOM 39 N VAL A 4 87.855 -7.329 -1.453 1.00 0.00 N ATOM 40 CA VAL A 4 88.563 -6.234 -2.172 1.00 0.00 C ATOM 41 C VAL A 4 87.616 -5.530 -3.150 1.00 0.00 C ATOM 42 O VAL A 4 87.638 -5.778 -4.338 1.00 0.00 O ATOM 43 CB VAL A 4 89.696 -6.927 -2.924 1.00 0.00 C ATOM 44 CG1 VAL A 4 90.711 -5.883 -3.382 1.00 0.00 C ATOM 45 CG2 VAL A 4 90.385 -7.934 -1.999 1.00 0.00 C ATOM 0 H VAL A 4 88.078 -7.408 -0.461 1.00 0.00 H new ATOM 0 HA VAL A 4 88.932 -5.467 -1.491 1.00 0.00 H new ATOM 0 HB VAL A 4 89.291 -7.449 -3.791 1.00 0.00 H new ATOM 0 HG11 VAL A 4 91.522 -6.375 -3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 4 90.222 -5.165 -4.040 1.00 0.00 H new ATOM 0 HG13 VAL A 4 91.115 -5.363 -2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 4 91.194 -8.428 -2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 4 90.791 -7.413 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 4 89.661 -8.679 -1.668 1.00 0.00 H new ATOM 55 N LEU A 5 86.786 -4.651 -2.657 1.00 0.00 N ATOM 56 CA LEU A 5 85.841 -3.930 -3.556 1.00 0.00 C ATOM 57 C LEU A 5 86.499 -2.658 -4.100 1.00 0.00 C ATOM 58 O LEU A 5 87.177 -1.946 -3.385 1.00 0.00 O ATOM 59 CB LEU A 5 84.645 -3.578 -2.670 1.00 0.00 C ATOM 60 CG LEU A 5 83.427 -4.397 -3.103 1.00 0.00 C ATOM 61 CD1 LEU A 5 82.355 -4.335 -2.013 1.00 0.00 C ATOM 62 CD2 LEU A 5 82.863 -3.820 -4.403 1.00 0.00 C ATOM 0 H LEU A 5 86.722 -4.401 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 5 85.548 -4.530 -4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 5 84.881 -3.782 -1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 5 84.425 -2.513 -2.745 1.00 0.00 H new ATOM 0 HG LEU A 5 83.724 -5.434 -3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 5 81.488 -4.918 -2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 5 82.755 -4.744 -1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 5 82.057 -3.299 -1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 5 81.995 -4.402 -4.713 1.00 0.00 H new ATOM 0 HD22 LEU A 5 82.566 -2.784 -4.242 1.00 0.00 H new ATOM 0 HD23 LEU A 5 83.625 -3.863 -5.181 1.00 0.00 H new ATOM 74 N ARG A 6 86.309 -2.366 -5.359 1.00 0.00 N ATOM 75 CA ARG A 6 86.929 -1.140 -5.941 1.00 0.00 C ATOM 76 C ARG A 6 85.850 -0.111 -6.293 1.00 0.00 C ATOM 77 O ARG A 6 85.864 0.476 -7.356 1.00 0.00 O ATOM 78 CB ARG A 6 87.646 -1.617 -7.204 1.00 0.00 C ATOM 79 CG ARG A 6 88.766 -2.588 -6.824 1.00 0.00 C ATOM 80 CD ARG A 6 90.116 -1.869 -6.908 1.00 0.00 C ATOM 81 NE ARG A 6 90.819 -2.502 -8.059 1.00 0.00 N ATOM 82 CZ ARG A 6 91.763 -1.853 -8.683 1.00 0.00 C ATOM 83 NH1 ARG A 6 92.551 -1.049 -8.021 1.00 0.00 N ATOM 84 NH2 ARG A 6 91.922 -2.009 -9.969 1.00 0.00 N ATOM 0 H ARG A 6 85.753 -2.922 -6.008 1.00 0.00 H new ATOM 0 HA ARG A 6 87.611 -0.655 -5.243 1.00 0.00 H new ATOM 0 HB2 ARG A 6 86.938 -2.107 -7.873 1.00 0.00 H new ATOM 0 HB3 ARG A 6 88.058 -0.765 -7.744 1.00 0.00 H new ATOM 0 HG2 ARG A 6 88.606 -2.967 -5.815 1.00 0.00 H new ATOM 0 HG3 ARG A 6 88.758 -3.449 -7.493 1.00 0.00 H new ATOM 0 HD2 ARG A 6 89.984 -0.799 -7.066 1.00 0.00 H new ATOM 0 HD3 ARG A 6 90.684 -1.987 -5.985 1.00 0.00 H new ATOM 0 HE ARG A 6 90.562 -3.442 -8.359 1.00 0.00 H new ATOM 0 HH11 ARG A 6 92.428 -0.928 -7.016 1.00 0.00 H new ATOM 0 HH12 ARG A 6 93.289 -0.542 -8.509 1.00 0.00 H new ATOM 0 HH21 ARG A 6 91.308 -2.638 -10.486 1.00 0.00 H new ATOM 0 HH22 ARG A 6 92.660 -1.502 -10.457 1.00 0.00 H new ATOM 98 N GLN A 7 84.916 0.114 -5.408 1.00 0.00 N ATOM 99 CA GLN A 7 83.839 1.110 -5.689 1.00 0.00 C ATOM 100 C GLN A 7 82.713 0.981 -4.659 1.00 0.00 C ATOM 101 O GLN A 7 82.023 -0.018 -4.616 1.00 0.00 O ATOM 102 CB GLN A 7 83.323 0.765 -7.087 1.00 0.00 C ATOM 103 CG GLN A 7 83.681 1.896 -8.050 1.00 0.00 C ATOM 104 CD GLN A 7 82.402 2.489 -8.641 1.00 0.00 C ATOM 105 OE1 GLN A 7 81.397 1.815 -8.743 1.00 0.00 O ATOM 106 NE2 GLN A 7 82.395 3.732 -9.039 1.00 0.00 N ATOM 0 H GLN A 7 84.851 -0.349 -4.501 1.00 0.00 H new ATOM 0 HA GLN A 7 84.208 2.134 -5.633 1.00 0.00 H new ATOM 0 HB2 GLN A 7 83.763 -0.172 -7.429 1.00 0.00 H new ATOM 0 HB3 GLN A 7 82.243 0.620 -7.063 1.00 0.00 H new ATOM 0 HG2 GLN A 7 84.244 2.669 -7.527 1.00 0.00 H new ATOM 0 HG3 GLN A 7 84.322 1.519 -8.847 1.00 0.00 H new ATOM 0 HE21 GLN A 7 83.238 4.299 -8.954 1.00 0.00 H new ATOM 0 HE22 GLN A 7 81.546 4.136 -9.435 1.00 0.00 H new ATOM 115 N PRO A 8 82.562 2.005 -3.862 1.00 0.00 N ATOM 116 CA PRO A 8 81.504 2.009 -2.824 1.00 0.00 C ATOM 117 C PRO A 8 80.129 2.214 -3.467 1.00 0.00 C ATOM 118 O PRO A 8 79.913 3.156 -4.204 1.00 0.00 O ATOM 119 CB PRO A 8 81.873 3.196 -1.939 1.00 0.00 C ATOM 120 CG PRO A 8 82.671 4.104 -2.821 1.00 0.00 C ATOM 121 CD PRO A 8 83.353 3.241 -3.852 1.00 0.00 C ATOM 0 HA PRO A 8 81.444 1.073 -2.268 1.00 0.00 H new ATOM 0 HB2 PRO A 8 80.983 3.697 -1.559 1.00 0.00 H new ATOM 0 HB3 PRO A 8 82.453 2.877 -1.073 1.00 0.00 H new ATOM 0 HG2 PRO A 8 82.025 4.839 -3.301 1.00 0.00 H new ATOM 0 HG3 PRO A 8 83.406 4.659 -2.237 1.00 0.00 H new ATOM 0 HD2 PRO A 8 83.359 3.719 -4.832 1.00 0.00 H new ATOM 0 HD3 PRO A 8 84.392 3.047 -3.586 1.00 0.00 H new ATOM 129 N LYS A 9 79.199 1.341 -3.196 1.00 0.00 N ATOM 130 CA LYS A 9 77.842 1.492 -3.796 1.00 0.00 C ATOM 131 C LYS A 9 77.039 2.535 -3.019 1.00 0.00 C ATOM 132 O LYS A 9 77.262 2.756 -1.845 1.00 0.00 O ATOM 133 CB LYS A 9 77.195 0.111 -3.670 1.00 0.00 C ATOM 134 CG LYS A 9 75.808 0.136 -4.317 1.00 0.00 C ATOM 135 CD LYS A 9 75.883 -0.483 -5.715 1.00 0.00 C ATOM 136 CE LYS A 9 75.801 -2.008 -5.605 1.00 0.00 C ATOM 137 NZ LYS A 9 77.207 -2.489 -5.749 1.00 0.00 N ATOM 0 H LYS A 9 79.318 0.532 -2.587 1.00 0.00 H new ATOM 0 HA LYS A 9 77.882 1.827 -4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 9 77.820 -0.640 -4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 9 77.113 -0.170 -2.620 1.00 0.00 H new ATOM 0 HG2 LYS A 9 75.098 -0.416 -3.701 1.00 0.00 H new ATOM 0 HG3 LYS A 9 75.444 1.161 -4.381 1.00 0.00 H new ATOM 0 HD2 LYS A 9 75.068 -0.108 -6.334 1.00 0.00 H new ATOM 0 HD3 LYS A 9 76.813 -0.193 -6.203 1.00 0.00 H new ATOM 0 HE2 LYS A 9 75.378 -2.311 -4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 9 75.161 -2.425 -6.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 77.215 -3.387 -6.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 77.765 -1.781 -6.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 77.622 -2.635 -4.807 1.00 0.00 H new ATOM 151 N CYS A 10 76.109 3.184 -3.665 1.00 0.00 N ATOM 152 CA CYS A 10 75.298 4.216 -2.960 1.00 0.00 C ATOM 153 C CYS A 10 73.807 3.897 -3.087 1.00 0.00 C ATOM 154 O CYS A 10 73.370 3.297 -4.049 1.00 0.00 O ATOM 155 CB CYS A 10 75.628 5.530 -3.668 1.00 0.00 C ATOM 156 SG CYS A 10 76.117 6.769 -2.443 1.00 0.00 S ATOM 0 H CYS A 10 75.876 3.044 -4.648 1.00 0.00 H new ATOM 0 HA CYS A 10 75.522 4.259 -1.894 1.00 0.00 H new ATOM 0 HB2 CYS A 10 76.433 5.376 -4.387 1.00 0.00 H new ATOM 0 HB3 CYS A 10 74.762 5.880 -4.230 1.00 0.00 H new ATOM 0 HG CYS A 10 77.384 7.030 -2.571 1.00 0.00 H new ATOM 162 N VAL A 11 73.024 4.295 -2.123 1.00 0.00 N ATOM 163 CA VAL A 11 71.560 4.016 -2.188 1.00 0.00 C ATOM 164 C VAL A 11 70.779 5.137 -1.503 1.00 0.00 C ATOM 165 O VAL A 11 71.184 5.657 -0.481 1.00 0.00 O ATOM 166 CB VAL A 11 71.375 2.700 -1.435 1.00 0.00 C ATOM 167 CG1 VAL A 11 72.241 1.615 -2.078 1.00 0.00 C ATOM 168 CG2 VAL A 11 71.792 2.887 0.026 1.00 0.00 C ATOM 0 H VAL A 11 73.333 4.801 -1.293 1.00 0.00 H new ATOM 0 HA VAL A 11 71.196 3.955 -3.214 1.00 0.00 H new ATOM 0 HB VAL A 11 70.328 2.400 -1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 11 72.108 0.677 -1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 11 71.944 1.482 -3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 11 73.289 1.913 -2.035 1.00 0.00 H new ATOM 0 HG21 VAL A 11 71.661 1.949 0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 11 72.839 3.187 0.070 1.00 0.00 H new ATOM 0 HG23 VAL A 11 71.174 3.659 0.485 1.00 0.00 H new ATOM 178 N LYS A 12 69.660 5.515 -2.055 1.00 0.00 N ATOM 179 CA LYS A 12 68.852 6.600 -1.435 1.00 0.00 C ATOM 180 C LYS A 12 67.824 6.005 -0.470 1.00 0.00 C ATOM 181 O LYS A 12 66.805 5.483 -0.877 1.00 0.00 O ATOM 182 CB LYS A 12 68.152 7.290 -2.605 1.00 0.00 C ATOM 183 CG LYS A 12 69.200 7.848 -3.569 1.00 0.00 C ATOM 184 CD LYS A 12 69.408 9.337 -3.289 1.00 0.00 C ATOM 185 CE LYS A 12 70.867 9.710 -3.558 1.00 0.00 C ATOM 186 NZ LYS A 12 70.829 11.146 -3.951 1.00 0.00 N ATOM 0 H LYS A 12 69.270 5.118 -2.910 1.00 0.00 H new ATOM 0 HA LYS A 12 69.464 7.295 -0.860 1.00 0.00 H new ATOM 0 HB2 LYS A 12 67.505 6.583 -3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 12 67.515 8.095 -2.238 1.00 0.00 H new ATOM 0 HG2 LYS A 12 70.141 7.310 -3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 12 68.876 7.703 -4.599 1.00 0.00 H new ATOM 0 HD2 LYS A 12 68.748 9.932 -3.920 1.00 0.00 H new ATOM 0 HD3 LYS A 12 69.149 9.563 -2.255 1.00 0.00 H new ATOM 0 HE2 LYS A 12 71.483 9.559 -2.672 1.00 0.00 H new ATOM 0 HE3 LYS A 12 71.292 9.095 -4.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 71.794 11.477 -4.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 70.241 11.258 -4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 70.426 11.708 -3.174 1.00 0.00 H new ATOM 200 N LEU A 13 68.083 6.078 0.807 1.00 0.00 N ATOM 201 CA LEU A 13 67.118 5.516 1.794 1.00 0.00 C ATOM 202 C LEU A 13 65.947 6.482 1.993 1.00 0.00 C ATOM 203 O LEU A 13 65.975 7.339 2.853 1.00 0.00 O ATOM 204 CB LEU A 13 67.919 5.364 3.089 1.00 0.00 C ATOM 205 CG LEU A 13 67.673 3.974 3.680 1.00 0.00 C ATOM 206 CD1 LEU A 13 68.392 2.924 2.830 1.00 0.00 C ATOM 207 CD2 LEU A 13 68.214 3.925 5.111 1.00 0.00 C ATOM 0 H LEU A 13 68.919 6.502 1.209 1.00 0.00 H new ATOM 0 HA LEU A 13 66.694 4.567 1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 13 68.982 5.504 2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 13 67.624 6.132 3.804 1.00 0.00 H new ATOM 0 HG LEU A 13 66.603 3.767 3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 13 68.217 1.934 3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 13 68.010 2.958 1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 13 69.462 3.132 2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 13 68.039 2.935 5.532 1.00 0.00 H new ATOM 0 HD22 LEU A 13 69.284 4.132 5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 13 67.705 4.673 5.718 1.00 0.00 H new ATOM 219 N ARG A 14 64.916 6.347 1.206 1.00 0.00 N ATOM 220 CA ARG A 14 63.740 7.253 1.350 1.00 0.00 C ATOM 221 C ARG A 14 62.722 6.630 2.307 1.00 0.00 C ATOM 222 O ARG A 14 62.670 5.428 2.474 1.00 0.00 O ATOM 223 CB ARG A 14 63.161 7.373 -0.063 1.00 0.00 C ATOM 224 CG ARG A 14 61.714 7.870 0.007 1.00 0.00 C ATOM 225 CD ARG A 14 61.692 9.321 0.497 1.00 0.00 C ATOM 226 NE ARG A 14 60.453 9.432 1.315 1.00 0.00 N ATOM 227 CZ ARG A 14 60.052 10.599 1.743 1.00 0.00 C ATOM 228 NH1 ARG A 14 60.626 11.688 1.306 1.00 0.00 N ATOM 229 NH2 ARG A 14 59.079 10.679 2.608 1.00 0.00 N ATOM 0 H ARG A 14 64.836 5.648 0.468 1.00 0.00 H new ATOM 0 HA ARG A 14 64.005 8.228 1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 14 63.763 8.062 -0.655 1.00 0.00 H new ATOM 0 HB3 ARG A 14 63.199 6.406 -0.564 1.00 0.00 H new ATOM 0 HG2 ARG A 14 61.247 7.800 -0.975 1.00 0.00 H new ATOM 0 HG3 ARG A 14 61.134 7.239 0.681 1.00 0.00 H new ATOM 0 HD2 ARG A 14 62.578 9.551 1.089 1.00 0.00 H new ATOM 0 HD3 ARG A 14 61.677 10.020 -0.339 1.00 0.00 H new ATOM 0 HE ARG A 14 59.916 8.595 1.542 1.00 0.00 H new ATOM 0 HH11 ARG A 14 61.388 11.627 0.630 1.00 0.00 H new ATOM 0 HH12 ARG A 14 60.313 12.599 1.640 1.00 0.00 H new ATOM 0 HH21 ARG A 14 58.630 9.830 2.951 1.00 0.00 H new ATOM 0 HH22 ARG A 14 58.767 11.591 2.941 1.00 0.00 H new ATOM 243 N ALA A 15 61.912 7.433 2.941 1.00 0.00 N ATOM 244 CA ALA A 15 60.907 6.866 3.886 1.00 0.00 C ATOM 245 C ALA A 15 59.572 7.607 3.767 1.00 0.00 C ATOM 246 O ALA A 15 59.465 8.767 4.110 1.00 0.00 O ATOM 247 CB ALA A 15 61.508 7.072 5.277 1.00 0.00 C ATOM 0 H ALA A 15 61.901 8.449 2.847 1.00 0.00 H new ATOM 0 HA ALA A 15 60.702 5.816 3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 15 60.825 6.679 6.030 1.00 0.00 H new ATOM 0 HB2 ALA A 15 62.461 6.548 5.343 1.00 0.00 H new ATOM 0 HB3 ALA A 15 61.667 8.136 5.451 1.00 0.00 H new ATOM 253 N LEU A 16 58.553 6.944 3.293 1.00 0.00 N ATOM 254 CA LEU A 16 57.226 7.612 3.168 1.00 0.00 C ATOM 255 C LEU A 16 56.775 8.121 4.538 1.00 0.00 C ATOM 256 O LEU A 16 55.946 9.003 4.644 1.00 0.00 O ATOM 257 CB LEU A 16 56.278 6.526 2.658 1.00 0.00 C ATOM 258 CG LEU A 16 55.722 6.932 1.292 1.00 0.00 C ATOM 259 CD1 LEU A 16 55.325 5.679 0.508 1.00 0.00 C ATOM 260 CD2 LEU A 16 54.491 7.820 1.486 1.00 0.00 C ATOM 0 H LEU A 16 58.581 5.971 2.988 1.00 0.00 H new ATOM 0 HA LEU A 16 57.252 8.470 2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 16 56.806 5.576 2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 16 55.462 6.380 3.365 1.00 0.00 H new ATOM 0 HG LEU A 16 56.485 7.481 0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 16 54.929 5.969 -0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 16 56.200 5.044 0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 16 54.563 5.130 1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 16 54.094 8.110 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 16 53.729 7.270 2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 16 54.771 8.713 2.044 1.00 0.00 H new ATOM 272 N HIS A 17 57.324 7.571 5.586 1.00 0.00 N ATOM 273 CA HIS A 17 56.941 8.019 6.954 1.00 0.00 C ATOM 274 C HIS A 17 57.706 9.293 7.320 1.00 0.00 C ATOM 275 O HIS A 17 57.550 9.838 8.394 1.00 0.00 O ATOM 276 CB HIS A 17 57.350 6.867 7.872 1.00 0.00 C ATOM 277 CG HIS A 17 56.661 7.015 9.201 1.00 0.00 C ATOM 278 ND1 HIS A 17 57.239 6.581 10.384 1.00 0.00 N ATOM 279 CD2 HIS A 17 55.445 7.547 9.550 1.00 0.00 C ATOM 280 CE1 HIS A 17 56.378 6.859 11.381 1.00 0.00 C ATOM 281 NE2 HIS A 17 55.268 7.448 10.927 1.00 0.00 N ATOM 0 H HIS A 17 58.023 6.829 5.553 1.00 0.00 H new ATOM 0 HA HIS A 17 55.879 8.249 7.036 1.00 0.00 H new ATOM 0 HB2 HIS A 17 57.084 5.913 7.417 1.00 0.00 H new ATOM 0 HB3 HIS A 17 58.431 6.864 8.009 1.00 0.00 H new ATOM 0 HD2 HIS A 17 54.733 7.977 8.861 1.00 0.00 H new ATOM 0 HE1 HIS A 17 56.562 6.633 12.421 1.00 0.00 H new ATOM 0 HE2 HIS A 17 54.464 7.758 11.472 1.00 0.00 H new ATOM 289 N SER A 18 58.536 9.769 6.432 1.00 0.00 N ATOM 290 CA SER A 18 59.315 11.005 6.724 1.00 0.00 C ATOM 291 C SER A 18 59.120 12.024 5.599 1.00 0.00 C ATOM 292 O SER A 18 58.182 11.943 4.832 1.00 0.00 O ATOM 293 CB SER A 18 60.771 10.549 6.788 1.00 0.00 C ATOM 294 OG SER A 18 61.598 11.661 7.110 1.00 0.00 O ATOM 0 H SER A 18 58.708 9.354 5.516 1.00 0.00 H new ATOM 0 HA SER A 18 58.999 11.486 7.650 1.00 0.00 H new ATOM 0 HB2 SER A 18 60.886 9.766 7.538 1.00 0.00 H new ATOM 0 HB3 SER A 18 61.073 10.122 5.832 1.00 0.00 H new ATOM 0 HG SER A 18 62.204 11.845 6.362 1.00 0.00 H new ATOM 300 N ALA A 19 60.000 12.979 5.495 1.00 0.00 N ATOM 301 CA ALA A 19 59.862 13.999 4.417 1.00 0.00 C ATOM 302 C ALA A 19 61.120 14.024 3.546 1.00 0.00 C ATOM 303 O ALA A 19 61.470 15.038 2.976 1.00 0.00 O ATOM 304 CB ALA A 19 59.689 15.330 5.149 1.00 0.00 C ATOM 0 H ALA A 19 60.807 13.098 6.107 1.00 0.00 H new ATOM 0 HA ALA A 19 59.023 13.787 3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 19 59.581 16.134 4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 19 58.799 15.287 5.777 1.00 0.00 H new ATOM 0 HB3 ALA A 19 60.564 15.519 5.771 1.00 0.00 H new ATOM 310 N CYS A 20 61.807 12.917 3.437 1.00 0.00 N ATOM 311 CA CYS A 20 63.039 12.892 2.599 1.00 0.00 C ATOM 312 C CYS A 20 63.667 11.496 2.606 1.00 0.00 C ATOM 313 O CYS A 20 63.022 10.507 2.903 1.00 0.00 O ATOM 314 CB CYS A 20 63.980 13.905 3.251 1.00 0.00 C ATOM 315 SG CYS A 20 64.605 15.045 1.991 1.00 0.00 S ATOM 0 H CYS A 20 61.569 12.035 3.890 1.00 0.00 H new ATOM 0 HA CYS A 20 62.830 13.136 1.557 1.00 0.00 H new ATOM 0 HB2 CYS A 20 63.454 14.458 4.029 1.00 0.00 H new ATOM 0 HB3 CYS A 20 64.810 13.389 3.733 1.00 0.00 H new ATOM 0 HG CYS A 20 65.404 15.908 2.545 1.00 0.00 H new ATOM 321 N LYS A 21 64.926 11.414 2.275 1.00 0.00 N ATOM 322 CA LYS A 21 65.614 10.093 2.254 1.00 0.00 C ATOM 323 C LYS A 21 67.041 10.237 2.785 1.00 0.00 C ATOM 324 O LYS A 21 67.448 11.298 3.216 1.00 0.00 O ATOM 325 CB LYS A 21 65.627 9.683 0.781 1.00 0.00 C ATOM 326 CG LYS A 21 66.270 10.795 -0.053 1.00 0.00 C ATOM 327 CD LYS A 21 65.305 11.226 -1.161 1.00 0.00 C ATOM 328 CE LYS A 21 65.997 11.096 -2.520 1.00 0.00 C ATOM 329 NZ LYS A 21 65.149 11.881 -3.460 1.00 0.00 N ATOM 0 H LYS A 21 65.510 12.209 2.017 1.00 0.00 H new ATOM 0 HA LYS A 21 65.116 9.352 2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 21 66.182 8.753 0.656 1.00 0.00 H new ATOM 0 HB3 LYS A 21 64.610 9.496 0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 21 66.514 11.646 0.583 1.00 0.00 H new ATOM 0 HG3 LYS A 21 67.206 10.443 -0.488 1.00 0.00 H new ATOM 0 HD2 LYS A 21 64.408 10.608 -1.137 1.00 0.00 H new ATOM 0 HD3 LYS A 21 64.987 12.256 -1.000 1.00 0.00 H new ATOM 0 HE2 LYS A 21 67.014 11.488 -2.484 1.00 0.00 H new ATOM 0 HE3 LYS A 21 66.068 10.053 -2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 65.559 11.840 -4.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 64.189 11.481 -3.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 65.106 12.871 -3.144 1.00 0.00 H new ATOM 343 N PHE A 22 67.807 9.181 2.758 1.00 0.00 N ATOM 344 CA PHE A 22 69.208 9.267 3.262 1.00 0.00 C ATOM 345 C PHE A 22 70.167 8.596 2.274 1.00 0.00 C ATOM 346 O PHE A 22 70.424 7.411 2.351 1.00 0.00 O ATOM 347 CB PHE A 22 69.196 8.516 4.595 1.00 0.00 C ATOM 348 CG PHE A 22 70.614 8.315 5.072 1.00 0.00 C ATOM 349 CD1 PHE A 22 71.548 9.351 4.955 1.00 0.00 C ATOM 350 CD2 PHE A 22 70.994 7.090 5.634 1.00 0.00 C ATOM 351 CE1 PHE A 22 72.863 9.162 5.399 1.00 0.00 C ATOM 352 CE2 PHE A 22 72.308 6.900 6.076 1.00 0.00 C ATOM 353 CZ PHE A 22 73.243 7.937 5.958 1.00 0.00 C ATOM 0 H PHE A 22 67.525 8.265 2.410 1.00 0.00 H new ATOM 0 HA PHE A 22 69.543 10.298 3.379 1.00 0.00 H new ATOM 0 HB2 PHE A 22 68.628 9.078 5.336 1.00 0.00 H new ATOM 0 HB3 PHE A 22 68.701 7.552 4.477 1.00 0.00 H new ATOM 0 HD1 PHE A 22 71.255 10.296 4.522 1.00 0.00 H new ATOM 0 HD2 PHE A 22 70.273 6.292 5.726 1.00 0.00 H new ATOM 0 HE1 PHE A 22 73.583 9.962 5.310 1.00 0.00 H new ATOM 0 HE2 PHE A 22 72.601 5.955 6.508 1.00 0.00 H new ATOM 0 HZ PHE A 22 74.257 7.791 6.299 1.00 0.00 H new ATOM 363 N GLY A 23 70.698 9.347 1.347 1.00 0.00 N ATOM 364 CA GLY A 23 71.641 8.752 0.358 1.00 0.00 C ATOM 365 C GLY A 23 72.880 8.229 1.087 1.00 0.00 C ATOM 366 O GLY A 23 73.812 8.964 1.352 1.00 0.00 O ATOM 0 H GLY A 23 70.520 10.345 1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 23 71.154 7.940 -0.182 1.00 0.00 H new ATOM 0 HA3 GLY A 23 71.929 9.499 -0.381 1.00 0.00 H new ATOM 370 N VAL A 24 72.896 6.967 1.416 1.00 0.00 N ATOM 371 CA VAL A 24 74.073 6.398 2.134 1.00 0.00 C ATOM 372 C VAL A 24 74.966 5.623 1.160 1.00 0.00 C ATOM 373 O VAL A 24 74.495 5.025 0.212 1.00 0.00 O ATOM 374 CB VAL A 24 73.474 5.465 3.190 1.00 0.00 C ATOM 375 CG1 VAL A 24 73.033 4.153 2.538 1.00 0.00 C ATOM 376 CG2 VAL A 24 74.525 5.171 4.262 1.00 0.00 C ATOM 0 H VAL A 24 72.146 6.305 1.219 1.00 0.00 H new ATOM 0 HA VAL A 24 74.700 7.168 2.583 1.00 0.00 H new ATOM 0 HB VAL A 24 72.609 5.947 3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 24 72.608 3.495 3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 24 72.282 4.360 1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 24 73.894 3.668 2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 24 74.101 4.507 5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 24 75.390 4.693 3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 24 74.834 6.104 4.734 1.00 0.00 H new ATOM 386 N ALA A 25 76.251 5.629 1.387 1.00 0.00 N ATOM 387 CA ALA A 25 77.173 4.892 0.475 1.00 0.00 C ATOM 388 C ALA A 25 78.084 3.961 1.278 1.00 0.00 C ATOM 389 O ALA A 25 78.449 4.247 2.401 1.00 0.00 O ATOM 390 CB ALA A 25 77.996 5.977 -0.219 1.00 0.00 C ATOM 0 H ALA A 25 76.703 6.112 2.164 1.00 0.00 H new ATOM 0 HA ALA A 25 76.634 4.269 -0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 25 78.701 5.513 -0.909 1.00 0.00 H new ATOM 0 HB2 ALA A 25 77.331 6.641 -0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 25 78.544 6.551 0.528 1.00 0.00 H new ATOM 396 N ALA A 26 78.453 2.848 0.708 1.00 0.00 N ATOM 397 CA ALA A 26 79.341 1.895 1.433 1.00 0.00 C ATOM 398 C ALA A 26 79.832 0.805 0.476 1.00 0.00 C ATOM 399 O ALA A 26 79.164 0.458 -0.477 1.00 0.00 O ATOM 400 CB ALA A 26 78.465 1.292 2.533 1.00 0.00 C ATOM 0 H ALA A 26 78.178 2.556 -0.230 1.00 0.00 H new ATOM 0 HA ALA A 26 80.226 2.382 1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 26 79.049 0.578 3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 26 78.107 2.085 3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 26 77.613 0.783 2.082 1.00 0.00 H new ATOM 406 N ARG A 27 80.995 0.266 0.719 1.00 0.00 N ATOM 407 CA ARG A 27 81.522 -0.799 -0.183 1.00 0.00 C ATOM 408 C ARG A 27 80.592 -2.016 -0.164 1.00 0.00 C ATOM 409 O ARG A 27 80.108 -2.453 -1.189 1.00 0.00 O ATOM 410 CB ARG A 27 82.894 -1.161 0.384 1.00 0.00 C ATOM 411 CG ARG A 27 83.802 0.071 0.353 1.00 0.00 C ATOM 412 CD ARG A 27 84.926 -0.147 -0.663 1.00 0.00 C ATOM 413 NE ARG A 27 86.113 0.532 -0.076 1.00 0.00 N ATOM 414 CZ ARG A 27 87.235 -0.119 0.064 1.00 0.00 C ATOM 415 NH1 ARG A 27 87.517 -1.112 -0.736 1.00 0.00 N ATOM 416 NH2 ARG A 27 88.075 0.221 1.002 1.00 0.00 N ATOM 0 H ARG A 27 81.602 0.515 1.500 1.00 0.00 H new ATOM 0 HA ARG A 27 81.588 -0.466 -1.219 1.00 0.00 H new ATOM 0 HB2 ARG A 27 82.792 -1.525 1.406 1.00 0.00 H new ATOM 0 HB3 ARG A 27 83.338 -1.968 -0.199 1.00 0.00 H new ATOM 0 HG2 ARG A 27 83.223 0.955 0.087 1.00 0.00 H new ATOM 0 HG3 ARG A 27 84.222 0.251 1.343 1.00 0.00 H new ATOM 0 HD2 ARG A 27 85.116 -1.209 -0.820 1.00 0.00 H new ATOM 0 HD3 ARG A 27 84.669 0.277 -1.634 1.00 0.00 H new ATOM 0 HE ARG A 27 86.049 1.507 0.217 1.00 0.00 H new ATOM 0 HH11 ARG A 27 86.860 -1.378 -1.470 1.00 0.00 H new ATOM 0 HH12 ARG A 27 88.394 -1.621 -0.627 1.00 0.00 H new ATOM 0 HH21 ARG A 27 87.855 0.996 1.627 1.00 0.00 H new ATOM 0 HH22 ARG A 27 88.952 -0.289 1.111 1.00 0.00 H new ATOM 430 N SER A 28 80.337 -2.562 0.993 1.00 0.00 N ATOM 431 CA SER A 28 79.435 -3.748 1.072 1.00 0.00 C ATOM 432 C SER A 28 77.972 -3.296 1.099 1.00 0.00 C ATOM 433 O SER A 28 77.443 -2.944 2.135 1.00 0.00 O ATOM 434 CB SER A 28 79.807 -4.445 2.380 1.00 0.00 C ATOM 435 OG SER A 28 79.930 -3.473 3.411 1.00 0.00 O ATOM 0 H SER A 28 80.712 -2.240 1.885 1.00 0.00 H new ATOM 0 HA SER A 28 79.547 -4.411 0.214 1.00 0.00 H new ATOM 0 HB2 SER A 28 79.045 -5.178 2.644 1.00 0.00 H new ATOM 0 HB3 SER A 28 80.745 -4.988 2.262 1.00 0.00 H new ATOM 0 HG SER A 28 79.352 -3.719 4.163 1.00 0.00 H new ATOM 441 N CYS A 29 77.318 -3.301 -0.032 1.00 0.00 N ATOM 442 CA CYS A 29 75.889 -2.871 -0.072 1.00 0.00 C ATOM 443 C CYS A 29 75.136 -3.427 1.139 1.00 0.00 C ATOM 444 O CYS A 29 74.190 -2.835 1.620 1.00 0.00 O ATOM 445 CB CYS A 29 75.334 -3.463 -1.367 1.00 0.00 C ATOM 446 SG CYS A 29 75.381 -5.270 -1.274 1.00 0.00 S ATOM 0 H CYS A 29 77.711 -3.584 -0.930 1.00 0.00 H new ATOM 0 HA CYS A 29 75.782 -1.787 -0.041 1.00 0.00 H new ATOM 0 HB2 CYS A 29 74.311 -3.123 -1.525 1.00 0.00 H new ATOM 0 HB3 CYS A 29 75.920 -3.117 -2.218 1.00 0.00 H new ATOM 0 HG CYS A 29 74.907 -5.774 -2.375 1.00 0.00 H new ATOM 452 N GLN A 30 75.552 -4.559 1.637 1.00 0.00 N ATOM 453 CA GLN A 30 74.865 -5.150 2.819 1.00 0.00 C ATOM 454 C GLN A 30 74.946 -4.190 4.008 1.00 0.00 C ATOM 455 O GLN A 30 74.138 -4.237 4.914 1.00 0.00 O ATOM 456 CB GLN A 30 75.627 -6.441 3.117 1.00 0.00 C ATOM 457 CG GLN A 30 75.221 -7.519 2.111 1.00 0.00 C ATOM 458 CD GLN A 30 73.702 -7.705 2.147 1.00 0.00 C ATOM 459 OE1 GLN A 30 73.014 -7.356 1.210 1.00 0.00 O ATOM 460 NE2 GLN A 30 73.148 -8.245 3.199 1.00 0.00 N ATOM 0 H GLN A 30 76.338 -5.100 1.276 1.00 0.00 H new ATOM 0 HA GLN A 30 73.808 -5.337 2.633 1.00 0.00 H new ATOM 0 HB2 GLN A 30 76.701 -6.263 3.061 1.00 0.00 H new ATOM 0 HB3 GLN A 30 75.412 -6.776 4.132 1.00 0.00 H new ATOM 0 HG2 GLN A 30 75.539 -7.234 1.108 1.00 0.00 H new ATOM 0 HG3 GLN A 30 75.719 -8.459 2.349 1.00 0.00 H new ATOM 0 HE21 GLN A 30 73.727 -8.538 3.986 1.00 0.00 H new ATOM 0 HE22 GLN A 30 72.137 -8.374 3.233 1.00 0.00 H new ATOM 469 N GLU A 31 75.918 -3.317 4.012 1.00 0.00 N ATOM 470 CA GLU A 31 76.049 -2.354 5.143 1.00 0.00 C ATOM 471 C GLU A 31 74.974 -1.272 5.041 1.00 0.00 C ATOM 472 O GLU A 31 74.312 -0.948 6.007 1.00 0.00 O ATOM 473 CB GLU A 31 77.443 -1.745 4.989 1.00 0.00 C ATOM 474 CG GLU A 31 78.250 -1.987 6.266 1.00 0.00 C ATOM 475 CD GLU A 31 78.579 -3.475 6.389 1.00 0.00 C ATOM 476 OE1 GLU A 31 78.425 -4.179 5.404 1.00 0.00 O ATOM 477 OE2 GLU A 31 78.977 -3.887 7.466 1.00 0.00 O ATOM 0 H GLU A 31 76.625 -3.229 3.282 1.00 0.00 H new ATOM 0 HA GLU A 31 75.923 -2.836 6.112 1.00 0.00 H new ATOM 0 HB2 GLU A 31 77.953 -2.189 4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 31 77.365 -0.676 4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 31 79.169 -1.401 6.244 1.00 0.00 H new ATOM 0 HG3 GLU A 31 77.682 -1.656 7.136 1.00 0.00 H new ATOM 484 N LEU A 32 74.794 -0.713 3.879 1.00 0.00 N ATOM 485 CA LEU A 32 73.760 0.347 3.713 1.00 0.00 C ATOM 486 C LEU A 32 72.379 -0.209 4.070 1.00 0.00 C ATOM 487 O LEU A 32 71.561 0.466 4.664 1.00 0.00 O ATOM 488 CB LEU A 32 73.810 0.732 2.235 1.00 0.00 C ATOM 489 CG LEU A 32 75.201 1.266 1.894 1.00 0.00 C ATOM 490 CD1 LEU A 32 75.172 1.928 0.515 1.00 0.00 C ATOM 491 CD2 LEU A 32 75.628 2.295 2.944 1.00 0.00 C ATOM 0 H LEU A 32 75.318 -0.944 3.035 1.00 0.00 H new ATOM 0 HA LEU A 32 73.943 1.204 4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 32 73.579 -0.134 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 32 73.055 1.489 2.020 1.00 0.00 H new ATOM 0 HG LEU A 32 75.912 0.440 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 32 76.164 2.308 0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 32 74.872 1.195 -0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 32 74.459 2.753 0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 32 76.620 2.675 2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 32 74.916 3.120 2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 32 75.652 1.824 3.927 1.00 0.00 H new ATOM 503 N LEU A 33 72.115 -1.436 3.713 1.00 0.00 N ATOM 504 CA LEU A 33 70.790 -2.038 4.034 1.00 0.00 C ATOM 505 C LEU A 33 70.651 -2.211 5.546 1.00 0.00 C ATOM 506 O LEU A 33 69.715 -1.730 6.153 1.00 0.00 O ATOM 507 CB LEU A 33 70.791 -3.396 3.331 1.00 0.00 C ATOM 508 CG LEU A 33 71.000 -3.190 1.830 1.00 0.00 C ATOM 509 CD1 LEU A 33 71.516 -4.486 1.203 1.00 0.00 C ATOM 510 CD2 LEU A 33 69.669 -2.803 1.180 1.00 0.00 C ATOM 0 H LEU A 33 72.760 -2.048 3.213 1.00 0.00 H new ATOM 0 HA LEU A 33 69.957 -1.415 3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 33 71.582 -4.027 3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 33 69.848 -3.912 3.511 1.00 0.00 H new ATOM 0 HG LEU A 33 71.729 -2.395 1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 33 71.665 -4.339 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 33 72.463 -4.762 1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.788 -5.282 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 33 69.816 -2.656 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 33 68.941 -3.598 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 33 69.301 -1.879 1.626 1.00 0.00 H new ATOM 522 N ARG A 34 71.581 -2.888 6.162 1.00 0.00 N ATOM 523 CA ARG A 34 71.504 -3.080 7.637 1.00 0.00 C ATOM 524 C ARG A 34 71.484 -1.720 8.335 1.00 0.00 C ATOM 525 O ARG A 34 70.504 -1.333 8.940 1.00 0.00 O ATOM 526 CB ARG A 34 72.767 -3.861 8.002 1.00 0.00 C ATOM 527 CG ARG A 34 72.710 -5.248 7.359 1.00 0.00 C ATOM 528 CD ARG A 34 72.247 -6.272 8.396 1.00 0.00 C ATOM 529 NE ARG A 34 71.400 -7.232 7.637 1.00 0.00 N ATOM 530 CZ ARG A 34 70.120 -7.303 7.876 1.00 0.00 C ATOM 531 NH1 ARG A 34 69.674 -8.090 8.816 1.00 0.00 N ATOM 532 NH2 ARG A 34 69.284 -6.586 7.176 1.00 0.00 N ATOM 0 H ARG A 34 72.389 -3.315 5.709 1.00 0.00 H new ATOM 0 HA ARG A 34 70.602 -3.610 7.945 1.00 0.00 H new ATOM 0 HB2 ARG A 34 73.652 -3.325 7.658 1.00 0.00 H new ATOM 0 HB3 ARG A 34 72.851 -3.953 9.085 1.00 0.00 H new ATOM 0 HG2 ARG A 34 72.026 -5.239 6.510 1.00 0.00 H new ATOM 0 HG3 ARG A 34 73.692 -5.523 6.974 1.00 0.00 H new ATOM 0 HD2 ARG A 34 73.095 -6.775 8.860 1.00 0.00 H new ATOM 0 HD3 ARG A 34 71.682 -5.795 9.197 1.00 0.00 H new ATOM 0 HE ARG A 34 71.821 -7.835 6.930 1.00 0.00 H new ATOM 0 HH11 ARG A 34 70.327 -8.650 9.364 1.00 0.00 H new ATOM 0 HH12 ARG A 34 68.673 -8.145 9.003 1.00 0.00 H new ATOM 0 HH21 ARG A 34 69.632 -5.970 6.441 1.00 0.00 H new ATOM 0 HH22 ARG A 34 68.283 -6.642 7.363 1.00 0.00 H new ATOM 546 N LYS A 35 72.556 -0.986 8.242 1.00 0.00 N ATOM 547 CA LYS A 35 72.592 0.356 8.889 1.00 0.00 C ATOM 548 C LYS A 35 71.343 1.144 8.491 1.00 0.00 C ATOM 549 O LYS A 35 70.856 1.975 9.232 1.00 0.00 O ATOM 550 CB LYS A 35 73.852 1.031 8.343 1.00 0.00 C ATOM 551 CG LYS A 35 75.086 0.242 8.781 1.00 0.00 C ATOM 552 CD LYS A 35 76.236 0.505 7.807 1.00 0.00 C ATOM 553 CE LYS A 35 76.571 1.998 7.800 1.00 0.00 C ATOM 554 NZ LYS A 35 77.501 2.190 8.948 1.00 0.00 N ATOM 0 H LYS A 35 73.407 -1.255 7.748 1.00 0.00 H new ATOM 0 HA LYS A 35 72.610 0.298 9.977 1.00 0.00 H new ATOM 0 HB2 LYS A 35 73.807 1.082 7.255 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.915 2.056 8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 35 75.377 0.533 9.790 1.00 0.00 H new ATOM 0 HG3 LYS A 35 74.857 -0.823 8.810 1.00 0.00 H new ATOM 0 HD2 LYS A 35 77.113 -0.073 8.099 1.00 0.00 H new ATOM 0 HD3 LYS A 35 75.959 0.179 6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 35 77.038 2.293 6.860 1.00 0.00 H new ATOM 0 HE3 LYS A 35 75.673 2.605 7.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 77.816 3.181 8.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 77.011 1.956 9.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 78.327 1.568 8.834 1.00 0.00 H new ATOM 568 N GLY A 36 70.817 0.878 7.326 1.00 0.00 N ATOM 569 CA GLY A 36 69.594 1.599 6.878 1.00 0.00 C ATOM 570 C GLY A 36 68.414 1.165 7.745 1.00 0.00 C ATOM 571 O GLY A 36 67.724 1.981 8.324 1.00 0.00 O ATOM 0 H GLY A 36 71.183 0.192 6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 36 69.742 2.676 6.956 1.00 0.00 H new ATOM 0 HA3 GLY A 36 69.391 1.380 5.830 1.00 0.00 H new ATOM 575 N CYS A 37 68.183 -0.116 7.850 1.00 0.00 N ATOM 576 CA CYS A 37 67.052 -0.594 8.693 1.00 0.00 C ATOM 577 C CYS A 37 67.227 -0.081 10.123 1.00 0.00 C ATOM 578 O CYS A 37 66.302 -0.075 10.910 1.00 0.00 O ATOM 579 CB CYS A 37 67.133 -2.119 8.660 1.00 0.00 C ATOM 580 SG CYS A 37 65.835 -2.807 9.719 1.00 0.00 S ATOM 0 H CYS A 37 68.726 -0.848 7.391 1.00 0.00 H new ATOM 0 HA CYS A 37 66.087 -0.238 8.331 1.00 0.00 H new ATOM 0 HB2 CYS A 37 67.014 -2.479 7.638 1.00 0.00 H new ATOM 0 HB3 CYS A 37 68.113 -2.451 9.003 1.00 0.00 H new ATOM 0 HG CYS A 37 64.774 -3.045 9.006 1.00 0.00 H new ATOM 586 N VAL A 38 68.412 0.351 10.463 1.00 0.00 N ATOM 587 CA VAL A 38 68.648 0.868 11.841 1.00 0.00 C ATOM 588 C VAL A 38 68.237 2.340 11.925 1.00 0.00 C ATOM 589 O VAL A 38 67.420 2.721 12.740 1.00 0.00 O ATOM 590 CB VAL A 38 70.151 0.715 12.071 1.00 0.00 C ATOM 591 CG1 VAL A 38 70.495 1.151 13.497 1.00 0.00 C ATOM 592 CG2 VAL A 38 70.549 -0.750 11.877 1.00 0.00 C ATOM 0 H VAL A 38 69.225 0.368 9.847 1.00 0.00 H new ATOM 0 HA VAL A 38 68.067 0.331 12.591 1.00 0.00 H new ATOM 0 HB VAL A 38 70.693 1.337 11.359 1.00 0.00 H new ATOM 0 HG11 VAL A 38 71.567 1.042 13.662 1.00 0.00 H new ATOM 0 HG12 VAL A 38 70.210 2.194 13.637 1.00 0.00 H new ATOM 0 HG13 VAL A 38 69.953 0.528 14.209 1.00 0.00 H new ATOM 0 HG21 VAL A 38 71.621 -0.861 12.041 1.00 0.00 H new ATOM 0 HG22 VAL A 38 70.007 -1.372 12.590 1.00 0.00 H new ATOM 0 HG23 VAL A 38 70.303 -1.063 10.862 1.00 0.00 H new ATOM 602 N ARG A 39 68.796 3.172 11.087 1.00 0.00 N ATOM 603 CA ARG A 39 68.429 4.617 11.118 1.00 0.00 C ATOM 604 C ARG A 39 66.947 4.784 10.777 1.00 0.00 C ATOM 605 O ARG A 39 66.277 5.661 11.285 1.00 0.00 O ATOM 606 CB ARG A 39 69.305 5.275 10.052 1.00 0.00 C ATOM 607 CG ARG A 39 70.551 5.869 10.711 1.00 0.00 C ATOM 608 CD ARG A 39 70.151 7.060 11.586 1.00 0.00 C ATOM 609 NE ARG A 39 71.327 7.301 12.465 1.00 0.00 N ATOM 610 CZ ARG A 39 72.202 8.217 12.150 1.00 0.00 C ATOM 611 NH1 ARG A 39 72.310 8.620 10.914 1.00 0.00 N ATOM 612 NH2 ARG A 39 72.969 8.730 13.073 1.00 0.00 N ATOM 0 H ARG A 39 69.489 2.914 10.384 1.00 0.00 H new ATOM 0 HA ARG A 39 68.585 5.065 12.099 1.00 0.00 H new ATOM 0 HB2 ARG A 39 69.593 4.541 9.299 1.00 0.00 H new ATOM 0 HB3 ARG A 39 68.745 6.056 9.538 1.00 0.00 H new ATOM 0 HG2 ARG A 39 71.051 5.112 11.316 1.00 0.00 H new ATOM 0 HG3 ARG A 39 71.261 6.188 9.948 1.00 0.00 H new ATOM 0 HD2 ARG A 39 69.924 7.937 10.980 1.00 0.00 H new ATOM 0 HD3 ARG A 39 69.259 6.838 12.172 1.00 0.00 H new ATOM 0 HE ARG A 39 71.450 6.750 13.315 1.00 0.00 H new ATOM 0 HH11 ARG A 39 71.710 8.219 10.193 1.00 0.00 H new ATOM 0 HH12 ARG A 39 72.994 9.336 10.669 1.00 0.00 H new ATOM 0 HH21 ARG A 39 72.884 8.415 14.039 1.00 0.00 H new ATOM 0 HH22 ARG A 39 73.653 9.446 12.828 1.00 0.00 H new ATOM 626 N PHE A 40 66.430 3.944 9.924 1.00 0.00 N ATOM 627 CA PHE A 40 64.991 4.046 9.553 1.00 0.00 C ATOM 628 C PHE A 40 64.162 3.114 10.440 1.00 0.00 C ATOM 629 O PHE A 40 62.952 3.199 10.494 1.00 0.00 O ATOM 630 CB PHE A 40 64.930 3.608 8.088 1.00 0.00 C ATOM 631 CG PHE A 40 65.262 4.783 7.192 1.00 0.00 C ATOM 632 CD1 PHE A 40 65.996 5.866 7.694 1.00 0.00 C ATOM 633 CD2 PHE A 40 64.835 4.787 5.857 1.00 0.00 C ATOM 634 CE1 PHE A 40 66.300 6.951 6.863 1.00 0.00 C ATOM 635 CE2 PHE A 40 65.140 5.874 5.028 1.00 0.00 C ATOM 636 CZ PHE A 40 65.872 6.955 5.531 1.00 0.00 C ATOM 0 H PHE A 40 66.943 3.190 9.467 1.00 0.00 H new ATOM 0 HA PHE A 40 64.590 5.051 9.687 1.00 0.00 H new ATOM 0 HB2 PHE A 40 65.633 2.794 7.912 1.00 0.00 H new ATOM 0 HB3 PHE A 40 63.936 3.228 7.853 1.00 0.00 H new ATOM 0 HD1 PHE A 40 66.327 5.864 8.722 1.00 0.00 H new ATOM 0 HD2 PHE A 40 64.271 3.952 5.468 1.00 0.00 H new ATOM 0 HE1 PHE A 40 66.865 7.786 7.251 1.00 0.00 H new ATOM 0 HE2 PHE A 40 64.810 5.878 4.000 1.00 0.00 H new ATOM 0 HZ PHE A 40 66.107 7.793 4.891 1.00 0.00 H new ATOM 646 N GLN A 41 64.813 2.226 11.142 1.00 0.00 N ATOM 647 CA GLN A 41 64.078 1.287 12.038 1.00 0.00 C ATOM 648 C GLN A 41 63.003 0.526 11.259 1.00 0.00 C ATOM 649 O GLN A 41 61.848 0.902 11.252 1.00 0.00 O ATOM 650 CB GLN A 41 63.433 2.178 13.099 1.00 0.00 C ATOM 651 CG GLN A 41 63.993 1.822 14.477 1.00 0.00 C ATOM 652 CD GLN A 41 64.611 3.068 15.113 1.00 0.00 C ATOM 653 OE1 GLN A 41 65.278 3.903 14.364 1.00 0.00 O flip ATOM 654 NE2 GLN A 41 64.487 3.282 16.302 1.00 0.00 N flip ATOM 0 H GLN A 41 65.826 2.110 11.133 1.00 0.00 H new ATOM 0 HA GLN A 41 64.740 0.538 12.473 1.00 0.00 H new ATOM 0 HB2 GLN A 41 63.629 3.227 12.876 1.00 0.00 H new ATOM 0 HB3 GLN A 41 62.351 2.047 13.090 1.00 0.00 H new ATOM 0 HG2 GLN A 41 63.200 1.431 15.114 1.00 0.00 H new ATOM 0 HG3 GLN A 41 64.744 1.037 14.385 1.00 0.00 H new ATOM 0 HE21 GLN A 41 63.965 2.628 16.886 1.00 0.00 H new ATOM 0 HE22 GLN A 41 64.904 4.115 16.716 1.00 0.00 H new ATOM 663 N LEU A 42 63.365 -0.548 10.609 1.00 0.00 N ATOM 664 CA LEU A 42 62.348 -1.324 9.846 1.00 0.00 C ATOM 665 C LEU A 42 62.389 -2.798 10.256 1.00 0.00 C ATOM 666 O LEU A 42 63.196 -3.558 9.760 1.00 0.00 O ATOM 667 CB LEU A 42 62.733 -1.164 8.377 1.00 0.00 C ATOM 668 CG LEU A 42 61.469 -1.201 7.518 1.00 0.00 C ATOM 669 CD1 LEU A 42 60.762 -2.544 7.707 1.00 0.00 C ATOM 670 CD2 LEU A 42 60.531 -0.072 7.949 1.00 0.00 C ATOM 0 H LEU A 42 64.315 -0.919 10.574 1.00 0.00 H new ATOM 0 HA LEU A 42 61.335 -0.969 10.037 1.00 0.00 H new ATOM 0 HB2 LEU A 42 63.261 -0.222 8.228 1.00 0.00 H new ATOM 0 HB3 LEU A 42 63.413 -1.961 8.078 1.00 0.00 H new ATOM 0 HG LEU A 42 61.739 -1.075 6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 42 59.861 -2.570 7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 42 61.429 -3.352 7.406 1.00 0.00 H new ATOM 0 HD13 LEU A 42 60.492 -2.668 8.756 1.00 0.00 H new ATOM 0 HD21 LEU A 42 59.629 -0.096 7.338 1.00 0.00 H new ATOM 0 HD22 LEU A 42 60.263 -0.202 8.998 1.00 0.00 H new ATOM 0 HD23 LEU A 42 61.032 0.887 7.819 1.00 0.00 H new ATOM 682 N PRO A 43 61.510 -3.149 11.154 1.00 0.00 N ATOM 683 CA PRO A 43 61.437 -4.546 11.645 1.00 0.00 C ATOM 684 C PRO A 43 60.859 -5.461 10.562 1.00 0.00 C ATOM 685 O PRO A 43 59.809 -5.200 10.015 1.00 0.00 O ATOM 686 CB PRO A 43 60.492 -4.457 12.841 1.00 0.00 C ATOM 687 CG PRO A 43 59.658 -3.242 12.584 1.00 0.00 C ATOM 688 CD PRO A 43 60.510 -2.285 11.791 1.00 0.00 C ATOM 0 HA PRO A 43 62.411 -4.960 11.907 1.00 0.00 H new ATOM 0 HB2 PRO A 43 59.873 -5.351 12.923 1.00 0.00 H new ATOM 0 HB3 PRO A 43 61.045 -4.366 13.776 1.00 0.00 H new ATOM 0 HG2 PRO A 43 58.755 -3.503 12.032 1.00 0.00 H new ATOM 0 HG3 PRO A 43 59.338 -2.788 13.522 1.00 0.00 H new ATOM 0 HD2 PRO A 43 59.920 -1.744 11.051 1.00 0.00 H new ATOM 0 HD3 PRO A 43 60.978 -1.539 12.434 1.00 0.00 H new ATOM 696 N MET A 44 61.538 -6.529 10.250 1.00 0.00 N ATOM 697 CA MET A 44 61.027 -7.459 9.201 1.00 0.00 C ATOM 698 C MET A 44 59.515 -7.653 9.350 1.00 0.00 C ATOM 699 O MET A 44 58.769 -7.473 8.408 1.00 0.00 O ATOM 700 CB MET A 44 61.763 -8.774 9.454 1.00 0.00 C ATOM 701 CG MET A 44 62.768 -9.021 8.329 1.00 0.00 C ATOM 702 SD MET A 44 64.324 -9.625 9.030 1.00 0.00 S ATOM 703 CE MET A 44 63.810 -11.342 9.281 1.00 0.00 C ATOM 0 H MET A 44 62.425 -6.800 10.675 1.00 0.00 H new ATOM 0 HA MET A 44 61.197 -7.079 8.194 1.00 0.00 H new ATOM 0 HB2 MET A 44 62.278 -8.736 10.414 1.00 0.00 H new ATOM 0 HB3 MET A 44 61.051 -9.597 9.507 1.00 0.00 H new ATOM 0 HG2 MET A 44 62.368 -9.749 7.623 1.00 0.00 H new ATOM 0 HG3 MET A 44 62.941 -8.100 7.773 1.00 0.00 H new ATOM 0 HE1 MET A 44 64.634 -11.909 9.714 1.00 0.00 H new ATOM 0 HE2 MET A 44 62.955 -11.371 9.956 1.00 0.00 H new ATOM 0 HE3 MET A 44 63.531 -11.782 8.324 1.00 0.00 H new ATOM 713 N PRO A 45 59.117 -8.020 10.536 1.00 0.00 N ATOM 714 CA PRO A 45 57.681 -8.248 10.822 1.00 0.00 C ATOM 715 C PRO A 45 56.950 -6.915 11.009 1.00 0.00 C ATOM 716 O PRO A 45 57.560 -5.883 11.211 1.00 0.00 O ATOM 717 CB PRO A 45 57.701 -9.041 12.124 1.00 0.00 C ATOM 718 CG PRO A 45 58.994 -8.680 12.789 1.00 0.00 C ATOM 719 CD PRO A 45 59.961 -8.257 11.710 1.00 0.00 C ATOM 0 HA PRO A 45 57.161 -8.767 10.016 1.00 0.00 H new ATOM 0 HB2 PRO A 45 56.850 -8.783 12.754 1.00 0.00 H new ATOM 0 HB3 PRO A 45 57.643 -10.112 11.933 1.00 0.00 H new ATOM 0 HG2 PRO A 45 58.843 -7.873 13.506 1.00 0.00 H new ATOM 0 HG3 PRO A 45 59.389 -9.530 13.345 1.00 0.00 H new ATOM 0 HD2 PRO A 45 60.506 -7.357 11.996 1.00 0.00 H new ATOM 0 HD3 PRO A 45 60.703 -9.031 11.516 1.00 0.00 H new ATOM 727 N GLY A 46 55.647 -6.931 10.951 1.00 0.00 N ATOM 728 CA GLY A 46 54.872 -5.669 11.132 1.00 0.00 C ATOM 729 C GLY A 46 55.538 -4.535 10.348 1.00 0.00 C ATOM 730 O GLY A 46 55.471 -3.384 10.731 1.00 0.00 O ATOM 0 H GLY A 46 55.083 -7.765 10.786 1.00 0.00 H new ATOM 0 HA2 GLY A 46 53.847 -5.808 10.788 1.00 0.00 H new ATOM 0 HA3 GLY A 46 54.821 -5.411 12.190 1.00 0.00 H new ATOM 734 N SER A 47 56.176 -4.847 9.254 1.00 0.00 N ATOM 735 CA SER A 47 56.842 -3.781 8.449 1.00 0.00 C ATOM 736 C SER A 47 57.158 -4.299 7.044 1.00 0.00 C ATOM 737 O SER A 47 56.834 -5.418 6.698 1.00 0.00 O ATOM 738 CB SER A 47 58.131 -3.461 9.203 1.00 0.00 C ATOM 739 OG SER A 47 58.241 -2.055 9.371 1.00 0.00 O ATOM 0 H SER A 47 56.266 -5.792 8.882 1.00 0.00 H new ATOM 0 HA SER A 47 56.211 -2.900 8.329 1.00 0.00 H new ATOM 0 HB2 SER A 47 58.130 -3.956 10.174 1.00 0.00 H new ATOM 0 HB3 SER A 47 58.992 -3.841 8.653 1.00 0.00 H new ATOM 0 HG SER A 47 57.811 -1.791 10.211 1.00 0.00 H new ATOM 745 N ARG A 48 57.788 -3.494 6.229 1.00 0.00 N ATOM 746 CA ARG A 48 58.120 -3.945 4.849 1.00 0.00 C ATOM 747 C ARG A 48 58.762 -2.803 4.061 1.00 0.00 C ATOM 748 O ARG A 48 58.532 -1.640 4.331 1.00 0.00 O ATOM 749 CB ARG A 48 56.780 -4.335 4.226 1.00 0.00 C ATOM 750 CG ARG A 48 56.718 -5.854 4.054 1.00 0.00 C ATOM 751 CD ARG A 48 56.708 -6.200 2.564 1.00 0.00 C ATOM 752 NE ARG A 48 55.601 -7.184 2.408 1.00 0.00 N ATOM 753 CZ ARG A 48 54.897 -7.204 1.310 1.00 0.00 C ATOM 754 NH1 ARG A 48 53.993 -6.286 1.098 1.00 0.00 N ATOM 755 NH2 ARG A 48 55.097 -8.141 0.424 1.00 0.00 N ATOM 0 H ARG A 48 58.086 -2.546 6.460 1.00 0.00 H new ATOM 0 HA ARG A 48 58.829 -4.773 4.845 1.00 0.00 H new ATOM 0 HB2 ARG A 48 55.960 -3.997 4.860 1.00 0.00 H new ATOM 0 HB3 ARG A 48 56.660 -3.844 3.260 1.00 0.00 H new ATOM 0 HG2 ARG A 48 57.574 -6.321 4.541 1.00 0.00 H new ATOM 0 HG3 ARG A 48 55.823 -6.249 4.536 1.00 0.00 H new ATOM 0 HD2 ARG A 48 56.538 -5.313 1.953 1.00 0.00 H new ATOM 0 HD3 ARG A 48 57.662 -6.625 2.250 1.00 0.00 H new ATOM 0 HE ARG A 48 55.393 -7.842 3.159 1.00 0.00 H new ATOM 0 HH11 ARG A 48 53.838 -5.554 1.791 1.00 0.00 H new ATOM 0 HH12 ARG A 48 53.442 -6.301 0.240 1.00 0.00 H new ATOM 0 HH21 ARG A 48 55.804 -8.858 0.590 1.00 0.00 H new ATOM 0 HH22 ARG A 48 54.547 -8.157 -0.435 1.00 0.00 H new ATOM 769 N LEU A 49 59.563 -3.124 3.084 1.00 0.00 N ATOM 770 CA LEU A 49 60.213 -2.059 2.272 1.00 0.00 C ATOM 771 C LEU A 49 59.857 -2.248 0.796 1.00 0.00 C ATOM 772 O LEU A 49 59.457 -3.315 0.382 1.00 0.00 O ATOM 773 CB LEU A 49 61.714 -2.247 2.498 1.00 0.00 C ATOM 774 CG LEU A 49 62.038 -2.025 3.976 1.00 0.00 C ATOM 775 CD1 LEU A 49 62.745 -3.261 4.536 1.00 0.00 C ATOM 776 CD2 LEU A 49 62.953 -0.806 4.120 1.00 0.00 C ATOM 0 H LEU A 49 59.796 -4.079 2.813 1.00 0.00 H new ATOM 0 HA LEU A 49 59.888 -1.058 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 49 62.016 -3.250 2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 49 62.276 -1.545 1.882 1.00 0.00 H new ATOM 0 HG LEU A 49 61.114 -1.854 4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 49 62.976 -3.102 5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 49 62.095 -4.130 4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 49 63.669 -3.433 3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 49 63.184 -0.647 5.173 1.00 0.00 H new ATOM 0 HD22 LEU A 49 63.877 -0.977 3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 49 62.450 0.075 3.722 1.00 0.00 H new ATOM 788 N CYS A 50 59.992 -1.223 0.001 1.00 0.00 N ATOM 789 CA CYS A 50 59.650 -1.361 -1.443 1.00 0.00 C ATOM 790 C CYS A 50 60.551 -0.460 -2.292 1.00 0.00 C ATOM 791 O CYS A 50 60.836 0.667 -1.935 1.00 0.00 O ATOM 792 CB CYS A 50 58.191 -0.914 -1.550 1.00 0.00 C ATOM 793 SG CYS A 50 57.113 -2.187 -0.848 1.00 0.00 S ATOM 0 H CYS A 50 60.322 -0.301 0.286 1.00 0.00 H new ATOM 0 HA CYS A 50 59.792 -2.380 -1.804 1.00 0.00 H new ATOM 0 HB2 CYS A 50 58.049 0.029 -1.022 1.00 0.00 H new ATOM 0 HB3 CYS A 50 57.930 -0.737 -2.593 1.00 0.00 H new ATOM 0 HG CYS A 50 57.838 -3.104 -0.279 1.00 0.00 H new ATOM 799 N LEU A 51 60.997 -0.952 -3.413 1.00 0.00 N ATOM 800 CA LEU A 51 61.876 -0.135 -4.295 1.00 0.00 C ATOM 801 C LEU A 51 61.098 1.044 -4.881 1.00 0.00 C ATOM 802 O LEU A 51 60.115 0.868 -5.574 1.00 0.00 O ATOM 803 CB LEU A 51 62.301 -1.090 -5.405 1.00 0.00 C ATOM 804 CG LEU A 51 63.551 -1.849 -4.973 1.00 0.00 C ATOM 805 CD1 LEU A 51 63.200 -3.315 -4.725 1.00 0.00 C ATOM 806 CD2 LEU A 51 64.599 -1.757 -6.079 1.00 0.00 C ATOM 0 H LEU A 51 60.790 -1.889 -3.758 1.00 0.00 H new ATOM 0 HA LEU A 51 62.726 0.284 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 51 61.495 -1.790 -5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 51 62.499 -0.534 -6.321 1.00 0.00 H new ATOM 0 HG LEU A 51 63.945 -1.413 -4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 51 64.094 -3.856 -4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 51 62.447 -3.381 -3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 51 62.808 -3.755 -5.642 1.00 0.00 H new ATOM 0 HD21 LEU A 51 65.496 -2.298 -5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 51 64.202 -2.196 -6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 51 64.849 -0.711 -6.257 1.00 0.00 H new ATOM 818 N TYR A 52 61.531 2.245 -4.616 1.00 0.00 N ATOM 819 CA TYR A 52 60.815 3.430 -5.168 1.00 0.00 C ATOM 820 C TYR A 52 61.017 3.497 -6.684 1.00 0.00 C ATOM 821 O TYR A 52 60.352 4.239 -7.379 1.00 0.00 O ATOM 822 CB TYR A 52 61.460 4.636 -4.485 1.00 0.00 C ATOM 823 CG TYR A 52 60.775 5.900 -4.944 1.00 0.00 C ATOM 824 CD1 TYR A 52 61.048 6.423 -6.213 1.00 0.00 C ATOM 825 CD2 TYR A 52 59.868 6.551 -4.099 1.00 0.00 C ATOM 826 CE1 TYR A 52 60.415 7.597 -6.637 1.00 0.00 C ATOM 827 CE2 TYR A 52 59.234 7.724 -4.523 1.00 0.00 C ATOM 828 CZ TYR A 52 59.507 8.247 -5.792 1.00 0.00 C ATOM 829 OH TYR A 52 58.883 9.405 -6.208 1.00 0.00 O ATOM 0 H TYR A 52 62.347 2.458 -4.043 1.00 0.00 H new ATOM 0 HA TYR A 52 59.741 3.391 -4.988 1.00 0.00 H new ATOM 0 HB2 TYR A 52 61.381 4.539 -3.402 1.00 0.00 H new ATOM 0 HB3 TYR A 52 62.523 4.678 -4.725 1.00 0.00 H new ATOM 0 HD1 TYR A 52 61.747 5.921 -6.865 1.00 0.00 H new ATOM 0 HD2 TYR A 52 59.658 6.148 -3.120 1.00 0.00 H new ATOM 0 HE1 TYR A 52 60.627 8.002 -7.616 1.00 0.00 H new ATOM 0 HE2 TYR A 52 58.534 8.226 -3.871 1.00 0.00 H new ATOM 0 HH TYR A 52 58.284 9.726 -5.502 1.00 0.00 H new ATOM 839 N GLU A 53 61.935 2.725 -7.200 1.00 0.00 N ATOM 840 CA GLU A 53 62.187 2.742 -8.668 1.00 0.00 C ATOM 841 C GLU A 53 60.895 2.439 -9.433 1.00 0.00 C ATOM 842 O GLU A 53 60.605 3.050 -10.443 1.00 0.00 O ATOM 843 CB GLU A 53 63.222 1.642 -8.905 1.00 0.00 C ATOM 844 CG GLU A 53 63.821 1.800 -10.303 1.00 0.00 C ATOM 845 CD GLU A 53 65.088 2.653 -10.224 1.00 0.00 C ATOM 846 OE1 GLU A 53 65.920 2.366 -9.379 1.00 0.00 O ATOM 847 OE2 GLU A 53 65.206 3.579 -11.009 1.00 0.00 O ATOM 0 H GLU A 53 62.521 2.083 -6.667 1.00 0.00 H new ATOM 0 HA GLU A 53 62.538 3.714 -9.014 1.00 0.00 H new ATOM 0 HB2 GLU A 53 64.008 1.699 -8.152 1.00 0.00 H new ATOM 0 HB3 GLU A 53 62.756 0.662 -8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 53 64.055 0.821 -10.722 1.00 0.00 H new ATOM 0 HG3 GLU A 53 63.096 2.268 -10.970 1.00 0.00 H new ATOM 854 N ASP A 54 60.117 1.502 -8.963 1.00 0.00 N ATOM 855 CA ASP A 54 58.846 1.168 -9.671 1.00 0.00 C ATOM 856 C ASP A 54 57.830 0.560 -8.699 1.00 0.00 C ATOM 857 O ASP A 54 57.119 -0.368 -9.030 1.00 0.00 O ATOM 858 CB ASP A 54 59.242 0.148 -10.739 1.00 0.00 C ATOM 859 CG ASP A 54 58.373 0.344 -11.982 1.00 0.00 C ATOM 860 OD1 ASP A 54 57.230 -0.081 -11.954 1.00 0.00 O ATOM 861 OD2 ASP A 54 58.865 0.917 -12.941 1.00 0.00 O ATOM 0 H ASP A 54 60.305 0.955 -8.123 1.00 0.00 H new ATOM 0 HA ASP A 54 58.376 2.052 -10.102 1.00 0.00 H new ATOM 0 HB2 ASP A 54 60.295 0.266 -10.996 1.00 0.00 H new ATOM 0 HB3 ASP A 54 59.120 -0.864 -10.353 1.00 0.00 H new ATOM 866 N GLY A 55 57.749 1.081 -7.506 1.00 0.00 N ATOM 867 CA GLY A 55 56.771 0.538 -6.520 1.00 0.00 C ATOM 868 C GLY A 55 57.022 -0.955 -6.296 1.00 0.00 C ATOM 869 O GLY A 55 56.115 -1.705 -5.992 1.00 0.00 O ATOM 0 H GLY A 55 58.317 1.859 -7.171 1.00 0.00 H new ATOM 0 HA2 GLY A 55 56.859 1.075 -5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 55 55.754 0.693 -6.881 1.00 0.00 H new ATOM 873 N THR A 56 58.243 -1.395 -6.432 1.00 0.00 N ATOM 874 CA THR A 56 58.537 -2.842 -6.214 1.00 0.00 C ATOM 875 C THR A 56 58.500 -3.156 -4.717 1.00 0.00 C ATOM 876 O THR A 56 58.592 -2.274 -3.888 1.00 0.00 O ATOM 877 CB THR A 56 59.941 -3.066 -6.780 1.00 0.00 C ATOM 878 OG1 THR A 56 60.411 -1.867 -7.382 1.00 0.00 O ATOM 879 CG2 THR A 56 59.898 -4.179 -7.826 1.00 0.00 C ATOM 0 H THR A 56 59.047 -0.819 -6.683 1.00 0.00 H new ATOM 0 HA THR A 56 57.807 -3.490 -6.699 1.00 0.00 H new ATOM 0 HB THR A 56 60.614 -3.352 -5.972 1.00 0.00 H new ATOM 0 HG1 THR A 56 61.311 -2.013 -7.742 1.00 0.00 H new ATOM 0 HG21 THR A 56 60.898 -4.338 -8.229 1.00 0.00 H new ATOM 0 HG22 THR A 56 59.542 -5.100 -7.363 1.00 0.00 H new ATOM 0 HG23 THR A 56 59.223 -3.894 -8.633 1.00 0.00 H new ATOM 887 N GLU A 57 58.358 -4.403 -4.360 1.00 0.00 N ATOM 888 CA GLU A 57 58.309 -4.756 -2.911 1.00 0.00 C ATOM 889 C GLU A 57 59.520 -5.607 -2.523 1.00 0.00 C ATOM 890 O GLU A 57 59.864 -6.559 -3.195 1.00 0.00 O ATOM 891 CB GLU A 57 57.015 -5.550 -2.740 1.00 0.00 C ATOM 892 CG GLU A 57 56.914 -6.610 -3.839 1.00 0.00 C ATOM 893 CD GLU A 57 56.169 -7.834 -3.304 1.00 0.00 C ATOM 894 OE1 GLU A 57 56.003 -7.920 -2.098 1.00 0.00 O ATOM 895 OE2 GLU A 57 55.777 -8.663 -4.108 1.00 0.00 O ATOM 0 H GLU A 57 58.274 -5.189 -5.004 1.00 0.00 H new ATOM 0 HA GLU A 57 58.333 -3.872 -2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 57 56.995 -6.025 -1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 57 56.156 -4.880 -2.787 1.00 0.00 H new ATOM 0 HG2 GLU A 57 56.391 -6.203 -4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 57 57.911 -6.896 -4.175 1.00 0.00 H new ATOM 902 N VAL A 58 60.166 -5.271 -1.440 1.00 0.00 N ATOM 903 CA VAL A 58 61.356 -6.053 -0.999 1.00 0.00 C ATOM 904 C VAL A 58 61.580 -5.871 0.505 1.00 0.00 C ATOM 905 O VAL A 58 60.918 -5.081 1.151 1.00 0.00 O ATOM 906 CB VAL A 58 62.524 -5.465 -1.792 1.00 0.00 C ATOM 907 CG1 VAL A 58 63.821 -6.179 -1.405 1.00 0.00 C ATOM 908 CG2 VAL A 58 62.268 -5.653 -3.288 1.00 0.00 C ATOM 0 H VAL A 58 59.920 -4.485 -0.839 1.00 0.00 H new ATOM 0 HA VAL A 58 61.240 -7.123 -1.174 1.00 0.00 H new ATOM 0 HB VAL A 58 62.615 -4.402 -1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 58 64.651 -5.758 -1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 58 64.005 -6.046 -0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 58 63.732 -7.242 -1.628 1.00 0.00 H new ATOM 0 HG21 VAL A 58 63.100 -5.234 -3.855 1.00 0.00 H new ATOM 0 HG22 VAL A 58 62.176 -6.716 -3.511 1.00 0.00 H new ATOM 0 HG23 VAL A 58 61.346 -5.143 -3.566 1.00 0.00 H new ATOM 918 N THR A 59 62.509 -6.595 1.069 1.00 0.00 N ATOM 919 CA THR A 59 62.775 -6.460 2.531 1.00 0.00 C ATOM 920 C THR A 59 64.239 -6.081 2.770 1.00 0.00 C ATOM 921 O THR A 59 65.090 -6.292 1.929 1.00 0.00 O ATOM 922 CB THR A 59 62.473 -7.838 3.120 1.00 0.00 C ATOM 923 OG1 THR A 59 63.493 -8.748 2.737 1.00 0.00 O ATOM 924 CG2 THR A 59 61.124 -8.334 2.601 1.00 0.00 C ATOM 0 H THR A 59 63.095 -7.273 0.582 1.00 0.00 H new ATOM 0 HA THR A 59 62.167 -5.680 2.990 1.00 0.00 H new ATOM 0 HB THR A 59 62.437 -7.768 4.207 1.00 0.00 H new ATOM 0 HG1 THR A 59 63.302 -9.632 3.115 1.00 0.00 H new ATOM 0 HG21 THR A 59 60.911 -9.316 3.022 1.00 0.00 H new ATOM 0 HG22 THR A 59 60.341 -7.635 2.896 1.00 0.00 H new ATOM 0 HG23 THR A 59 61.156 -8.405 1.514 1.00 0.00 H new ATOM 932 N ASP A 60 64.537 -5.521 3.910 1.00 0.00 N ATOM 933 CA ASP A 60 65.942 -5.125 4.206 1.00 0.00 C ATOM 934 C ASP A 60 66.849 -6.360 4.242 1.00 0.00 C ATOM 935 O ASP A 60 68.057 -6.255 4.176 1.00 0.00 O ATOM 936 CB ASP A 60 65.883 -4.459 5.582 1.00 0.00 C ATOM 937 CG ASP A 60 65.126 -5.367 6.554 1.00 0.00 C ATOM 938 OD1 ASP A 60 63.941 -5.569 6.344 1.00 0.00 O ATOM 939 OD2 ASP A 60 65.745 -5.848 7.489 1.00 0.00 O ATOM 0 H ASP A 60 63.866 -5.320 4.651 1.00 0.00 H new ATOM 0 HA ASP A 60 66.351 -4.458 3.447 1.00 0.00 H new ATOM 0 HB2 ASP A 60 66.891 -4.273 5.952 1.00 0.00 H new ATOM 0 HB3 ASP A 60 65.386 -3.491 5.509 1.00 0.00 H new ATOM 944 N ASP A 61 66.275 -7.527 4.346 1.00 0.00 N ATOM 945 CA ASP A 61 67.108 -8.764 4.385 1.00 0.00 C ATOM 946 C ASP A 61 67.087 -9.460 3.022 1.00 0.00 C ATOM 947 O ASP A 61 67.722 -10.476 2.822 1.00 0.00 O ATOM 948 CB ASP A 61 66.456 -9.648 5.447 1.00 0.00 C ATOM 949 CG ASP A 61 67.534 -10.218 6.371 1.00 0.00 C ATOM 950 OD1 ASP A 61 68.228 -9.433 6.993 1.00 0.00 O ATOM 951 OD2 ASP A 61 67.648 -11.432 6.438 1.00 0.00 O ATOM 0 H ASP A 61 65.268 -7.678 4.406 1.00 0.00 H new ATOM 0 HA ASP A 61 68.152 -8.551 4.617 1.00 0.00 H new ATOM 0 HB2 ASP A 61 65.736 -9.069 6.025 1.00 0.00 H new ATOM 0 HB3 ASP A 61 65.904 -10.459 4.971 1.00 0.00 H new ATOM 956 N CYS A 62 66.360 -8.921 2.082 1.00 0.00 N ATOM 957 CA CYS A 62 66.299 -9.552 0.734 1.00 0.00 C ATOM 958 C CYS A 62 67.212 -8.804 -0.241 1.00 0.00 C ATOM 959 O CYS A 62 67.907 -9.403 -1.036 1.00 0.00 O ATOM 960 CB CYS A 62 64.837 -9.429 0.303 1.00 0.00 C ATOM 961 SG CYS A 62 64.692 -9.830 -1.456 1.00 0.00 S ATOM 0 H CYS A 62 65.806 -8.071 2.189 1.00 0.00 H new ATOM 0 HA CYS A 62 66.632 -10.590 0.748 1.00 0.00 H new ATOM 0 HB2 CYS A 62 64.215 -10.102 0.893 1.00 0.00 H new ATOM 0 HB3 CYS A 62 64.476 -8.417 0.487 1.00 0.00 H new ATOM 0 HG CYS A 62 65.045 -8.800 -2.166 1.00 0.00 H new ATOM 967 N PHE A 63 67.215 -7.498 -0.178 1.00 0.00 N ATOM 968 CA PHE A 63 68.083 -6.699 -1.094 1.00 0.00 C ATOM 969 C PHE A 63 69.443 -7.381 -1.264 1.00 0.00 C ATOM 970 O PHE A 63 70.310 -7.259 -0.423 1.00 0.00 O ATOM 971 CB PHE A 63 68.236 -5.347 -0.394 1.00 0.00 C ATOM 972 CG PHE A 63 66.925 -4.601 -0.460 1.00 0.00 C ATOM 973 CD1 PHE A 63 66.321 -4.355 -1.698 1.00 0.00 C ATOM 974 CD2 PHE A 63 66.311 -4.160 0.718 1.00 0.00 C ATOM 975 CE1 PHE A 63 65.102 -3.669 -1.759 1.00 0.00 C ATOM 976 CE2 PHE A 63 65.093 -3.473 0.658 1.00 0.00 C ATOM 977 CZ PHE A 63 64.488 -3.226 -0.580 1.00 0.00 C ATOM 0 H PHE A 63 66.652 -6.948 0.471 1.00 0.00 H new ATOM 0 HA PHE A 63 67.659 -6.598 -2.093 1.00 0.00 H new ATOM 0 HB2 PHE A 63 68.533 -5.494 0.645 1.00 0.00 H new ATOM 0 HB3 PHE A 63 69.024 -4.764 -0.871 1.00 0.00 H new ATOM 0 HD1 PHE A 63 66.795 -4.694 -2.607 1.00 0.00 H new ATOM 0 HD2 PHE A 63 66.777 -4.350 1.674 1.00 0.00 H new ATOM 0 HE1 PHE A 63 64.635 -3.481 -2.715 1.00 0.00 H new ATOM 0 HE2 PHE A 63 64.620 -3.133 1.567 1.00 0.00 H new ATOM 0 HZ PHE A 63 63.549 -2.695 -0.626 1.00 0.00 H new ATOM 987 N PRO A 64 69.578 -8.086 -2.356 1.00 0.00 N ATOM 988 CA PRO A 64 70.841 -8.808 -2.647 1.00 0.00 C ATOM 989 C PRO A 64 71.936 -7.824 -3.062 1.00 0.00 C ATOM 990 O PRO A 64 73.002 -7.783 -2.478 1.00 0.00 O ATOM 991 CB PRO A 64 70.468 -9.725 -3.809 1.00 0.00 C ATOM 992 CG PRO A 64 69.305 -9.058 -4.473 1.00 0.00 C ATOM 993 CD PRO A 64 68.578 -8.271 -3.413 1.00 0.00 C ATOM 0 HA PRO A 64 71.231 -9.352 -1.787 1.00 0.00 H new ATOM 0 HB2 PRO A 64 71.302 -9.844 -4.501 1.00 0.00 H new ATOM 0 HB3 PRO A 64 70.202 -10.721 -3.456 1.00 0.00 H new ATOM 0 HG2 PRO A 64 69.644 -8.402 -5.275 1.00 0.00 H new ATOM 0 HG3 PRO A 64 68.644 -9.798 -4.925 1.00 0.00 H new ATOM 0 HD2 PRO A 64 68.224 -7.315 -3.799 1.00 0.00 H new ATOM 0 HD3 PRO A 64 67.704 -8.809 -3.046 1.00 0.00 H new ATOM 1001 N GLY A 65 71.683 -7.031 -4.066 1.00 0.00 N ATOM 1002 CA GLY A 65 72.711 -6.051 -4.518 1.00 0.00 C ATOM 1003 C GLY A 65 72.061 -5.021 -5.443 1.00 0.00 C ATOM 1004 O GLY A 65 72.329 -4.981 -6.628 1.00 0.00 O ATOM 0 H GLY A 65 70.810 -7.019 -4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 65 73.157 -5.553 -3.657 1.00 0.00 H new ATOM 0 HA3 GLY A 65 73.517 -6.567 -5.040 1.00 0.00 H new ATOM 1008 N LEU A 66 71.210 -4.186 -4.912 1.00 0.00 N ATOM 1009 CA LEU A 66 70.548 -3.157 -5.766 1.00 0.00 C ATOM 1010 C LEU A 66 71.594 -2.443 -6.626 1.00 0.00 C ATOM 1011 O LEU A 66 72.770 -2.470 -6.324 1.00 0.00 O ATOM 1012 CB LEU A 66 69.895 -2.178 -4.786 1.00 0.00 C ATOM 1013 CG LEU A 66 69.087 -2.955 -3.743 1.00 0.00 C ATOM 1014 CD1 LEU A 66 69.803 -2.886 -2.392 1.00 0.00 C ATOM 1015 CD2 LEU A 66 67.693 -2.339 -3.612 1.00 0.00 C ATOM 0 H LEU A 66 70.945 -4.171 -3.927 1.00 0.00 H new ATOM 0 HA LEU A 66 69.816 -3.592 -6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 66 70.659 -1.577 -4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 66 69.245 -1.489 -5.324 1.00 0.00 H new ATOM 0 HG LEU A 66 68.995 -3.995 -4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 66 69.230 -3.439 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 66 70.796 -3.325 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.894 -1.845 -2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 66 67.119 -2.893 -2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 66 67.783 -1.299 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 66 67.183 -2.386 -4.574 1.00 0.00 H new ATOM 1027 N PRO A 67 71.124 -1.827 -7.675 1.00 0.00 N ATOM 1028 CA PRO A 67 72.025 -1.095 -8.599 1.00 0.00 C ATOM 1029 C PRO A 67 72.552 0.179 -7.936 1.00 0.00 C ATOM 1030 O PRO A 67 72.046 0.617 -6.922 1.00 0.00 O ATOM 1031 CB PRO A 67 71.127 -0.764 -9.787 1.00 0.00 C ATOM 1032 CG PRO A 67 69.738 -0.765 -9.232 1.00 0.00 C ATOM 1033 CD PRO A 67 69.721 -1.751 -8.093 1.00 0.00 C ATOM 0 HA PRO A 67 72.905 -1.670 -8.886 1.00 0.00 H new ATOM 0 HB2 PRO A 67 71.380 0.206 -10.216 1.00 0.00 H new ATOM 0 HB3 PRO A 67 71.235 -1.502 -10.582 1.00 0.00 H new ATOM 0 HG2 PRO A 67 69.460 0.230 -8.885 1.00 0.00 H new ATOM 0 HG3 PRO A 67 69.016 -1.048 -9.998 1.00 0.00 H new ATOM 0 HD2 PRO A 67 69.079 -1.412 -7.280 1.00 0.00 H new ATOM 0 HD3 PRO A 67 69.345 -2.723 -8.411 1.00 0.00 H new ATOM 1041 N ASN A 68 73.567 0.776 -8.498 1.00 0.00 N ATOM 1042 CA ASN A 68 74.127 2.019 -7.896 1.00 0.00 C ATOM 1043 C ASN A 68 72.998 2.966 -7.492 1.00 0.00 C ATOM 1044 O ASN A 68 71.938 2.979 -8.087 1.00 0.00 O ATOM 1045 CB ASN A 68 74.991 2.639 -8.997 1.00 0.00 C ATOM 1046 CG ASN A 68 75.680 3.896 -8.462 1.00 0.00 C ATOM 1047 OD1 ASN A 68 76.070 3.947 -7.312 1.00 0.00 O ATOM 1048 ND2 ASN A 68 75.848 4.920 -9.254 1.00 0.00 N ATOM 0 H ASN A 68 74.033 0.457 -9.348 1.00 0.00 H new ATOM 0 HA ASN A 68 74.705 1.819 -6.994 1.00 0.00 H new ATOM 0 HB2 ASN A 68 75.737 1.920 -9.336 1.00 0.00 H new ATOM 0 HB3 ASN A 68 74.374 2.890 -9.860 1.00 0.00 H new ATOM 0 HD21 ASN A 68 76.307 5.763 -8.908 1.00 0.00 H new ATOM 0 HD22 ASN A 68 75.521 4.877 -10.219 1.00 0.00 H new ATOM 1055 N ASP A 69 73.218 3.757 -6.481 1.00 0.00 N ATOM 1056 CA ASP A 69 72.161 4.703 -6.028 1.00 0.00 C ATOM 1057 C ASP A 69 70.820 3.980 -5.909 1.00 0.00 C ATOM 1058 O ASP A 69 69.775 4.536 -6.180 1.00 0.00 O ATOM 1059 CB ASP A 69 72.102 5.784 -7.107 1.00 0.00 C ATOM 1060 CG ASP A 69 73.304 6.720 -6.962 1.00 0.00 C ATOM 1061 OD1 ASP A 69 73.753 6.903 -5.842 1.00 0.00 O ATOM 1062 OD2 ASP A 69 73.753 7.238 -7.971 1.00 0.00 O ATOM 0 H ASP A 69 74.086 3.790 -5.947 1.00 0.00 H new ATOM 0 HA ASP A 69 72.378 5.125 -5.047 1.00 0.00 H new ATOM 0 HB2 ASP A 69 72.103 5.325 -8.096 1.00 0.00 H new ATOM 0 HB3 ASP A 69 71.175 6.350 -7.019 1.00 0.00 H new ATOM 1067 N ALA A 70 70.847 2.745 -5.496 1.00 0.00 N ATOM 1068 CA ALA A 70 69.571 1.983 -5.347 1.00 0.00 C ATOM 1069 C ALA A 70 68.587 2.784 -4.490 1.00 0.00 C ATOM 1070 O ALA A 70 68.902 3.194 -3.390 1.00 0.00 O ATOM 1071 CB ALA A 70 69.964 0.681 -4.645 1.00 0.00 C ATOM 0 H ALA A 70 71.693 2.229 -5.255 1.00 0.00 H new ATOM 0 HA ALA A 70 69.083 1.793 -6.303 1.00 0.00 H new ATOM 0 HB1 ALA A 70 69.077 0.064 -4.499 1.00 0.00 H new ATOM 0 HB2 ALA A 70 70.685 0.140 -5.258 1.00 0.00 H new ATOM 0 HB3 ALA A 70 70.410 0.910 -3.677 1.00 0.00 H new ATOM 1077 N GLU A 71 67.403 3.020 -4.985 1.00 0.00 N ATOM 1078 CA GLU A 71 66.412 3.809 -4.196 1.00 0.00 C ATOM 1079 C GLU A 71 65.460 2.884 -3.433 1.00 0.00 C ATOM 1080 O GLU A 71 64.619 2.225 -4.013 1.00 0.00 O ATOM 1081 CB GLU A 71 65.644 4.627 -5.233 1.00 0.00 C ATOM 1082 CG GLU A 71 66.566 5.695 -5.824 1.00 0.00 C ATOM 1083 CD GLU A 71 67.223 5.155 -7.095 1.00 0.00 C ATOM 1084 OE1 GLU A 71 66.703 4.198 -7.646 1.00 0.00 O ATOM 1085 OE2 GLU A 71 68.236 5.705 -7.496 1.00 0.00 O ATOM 0 H GLU A 71 67.079 2.702 -5.898 1.00 0.00 H new ATOM 0 HA GLU A 71 66.897 4.438 -3.449 1.00 0.00 H new ATOM 0 HB2 GLU A 71 65.272 3.975 -6.023 1.00 0.00 H new ATOM 0 HB3 GLU A 71 64.775 5.096 -4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 71 65.997 6.597 -6.051 1.00 0.00 H new ATOM 0 HG3 GLU A 71 67.329 5.974 -5.098 1.00 0.00 H new ATOM 1092 N LEU A 72 65.576 2.844 -2.135 1.00 0.00 N ATOM 1093 CA LEU A 72 64.670 1.977 -1.327 1.00 0.00 C ATOM 1094 C LEU A 72 63.776 2.846 -0.441 1.00 0.00 C ATOM 1095 O LEU A 72 64.205 3.848 0.096 1.00 0.00 O ATOM 1096 CB LEU A 72 65.598 1.112 -0.471 1.00 0.00 C ATOM 1097 CG LEU A 72 66.347 0.112 -1.357 1.00 0.00 C ATOM 1098 CD1 LEU A 72 65.392 -0.503 -2.384 1.00 0.00 C ATOM 1099 CD2 LEU A 72 67.483 0.831 -2.086 1.00 0.00 C ATOM 0 H LEU A 72 66.260 3.375 -1.597 1.00 0.00 H new ATOM 0 HA LEU A 72 64.014 1.368 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 72 66.310 1.744 0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 72 65.019 0.579 0.283 1.00 0.00 H new ATOM 0 HG LEU A 72 66.754 -0.682 -0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 72 65.936 -1.212 -3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 72 64.585 -1.021 -1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 72 64.974 0.285 -3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 72 68.017 0.121 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.071 1.628 -2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 72 68.171 1.257 -1.356 1.00 0.00 H new ATOM 1111 N LEU A 73 62.535 2.477 -0.285 1.00 0.00 N ATOM 1112 CA LEU A 73 61.620 3.292 0.565 1.00 0.00 C ATOM 1113 C LEU A 73 61.163 2.486 1.782 1.00 0.00 C ATOM 1114 O LEU A 73 61.036 1.280 1.730 1.00 0.00 O ATOM 1115 CB LEU A 73 60.429 3.623 -0.335 1.00 0.00 C ATOM 1116 CG LEU A 73 59.430 4.480 0.442 1.00 0.00 C ATOM 1117 CD1 LEU A 73 59.189 5.791 -0.309 1.00 0.00 C ATOM 1118 CD2 LEU A 73 58.108 3.720 0.580 1.00 0.00 C ATOM 0 H LEU A 73 62.115 1.649 -0.708 1.00 0.00 H new ATOM 0 HA LEU A 73 62.106 4.190 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 73 60.767 4.155 -1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 73 59.950 2.705 -0.676 1.00 0.00 H new ATOM 0 HG LEU A 73 59.830 4.698 1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 73 58.477 6.402 0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.130 6.332 -0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 73 58.788 5.575 -1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 73 57.394 4.330 1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 73 57.708 3.503 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 73 58.279 2.786 1.115 1.00 0.00 H new ATOM 1130 N LEU A 74 60.908 3.149 2.876 1.00 0.00 N ATOM 1131 CA LEU A 74 60.453 2.428 4.098 1.00 0.00 C ATOM 1132 C LEU A 74 58.929 2.270 4.071 1.00 0.00 C ATOM 1133 O LEU A 74 58.221 3.115 3.559 1.00 0.00 O ATOM 1134 CB LEU A 74 60.879 3.325 5.261 1.00 0.00 C ATOM 1135 CG LEU A 74 61.132 2.466 6.499 1.00 0.00 C ATOM 1136 CD1 LEU A 74 62.300 1.517 6.231 1.00 0.00 C ATOM 1137 CD2 LEU A 74 61.472 3.370 7.686 1.00 0.00 C ATOM 0 H LEU A 74 60.995 4.160 2.977 1.00 0.00 H new ATOM 0 HA LEU A 74 60.878 1.427 4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 74 61.781 3.877 4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 74 60.104 4.062 5.469 1.00 0.00 H new ATOM 0 HG LEU A 74 60.238 1.886 6.728 1.00 0.00 H new ATOM 0 HD11 LEU A 74 62.481 0.904 7.114 1.00 0.00 H new ATOM 0 HD12 LEU A 74 62.059 0.873 5.385 1.00 0.00 H new ATOM 0 HD13 LEU A 74 63.194 2.096 6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 74 61.653 2.758 8.570 1.00 0.00 H new ATOM 0 HD22 LEU A 74 62.366 3.950 7.457 1.00 0.00 H new ATOM 0 HD23 LEU A 74 60.640 4.047 7.878 1.00 0.00 H new ATOM 1149 N LEU A 75 58.415 1.198 4.611 1.00 0.00 N ATOM 1150 CA LEU A 75 56.938 1.003 4.602 1.00 0.00 C ATOM 1151 C LEU A 75 56.530 0.011 5.694 1.00 0.00 C ATOM 1152 O LEU A 75 57.323 -0.795 6.136 1.00 0.00 O ATOM 1153 CB LEU A 75 56.627 0.442 3.211 1.00 0.00 C ATOM 1154 CG LEU A 75 55.244 -0.212 3.212 1.00 0.00 C ATOM 1155 CD1 LEU A 75 54.613 -0.072 1.826 1.00 0.00 C ATOM 1156 CD2 LEU A 75 55.383 -1.696 3.557 1.00 0.00 C ATOM 0 H LEU A 75 58.951 0.453 5.056 1.00 0.00 H new ATOM 0 HA LEU A 75 56.393 1.926 4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 75 56.661 1.241 2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 75 57.384 -0.288 2.926 1.00 0.00 H new ATOM 0 HG LEU A 75 54.611 0.278 3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 75 53.628 -0.538 1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 75 54.515 0.984 1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 75 55.246 -0.563 1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 75 54.398 -2.163 3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 75 56.015 -2.184 2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 75 55.835 -1.799 4.544 1.00 0.00 H new ATOM 1168 N THR A 76 55.303 0.063 6.132 1.00 0.00 N ATOM 1169 CA THR A 76 54.847 -0.882 7.194 1.00 0.00 C ATOM 1170 C THR A 76 53.342 -1.124 7.064 1.00 0.00 C ATOM 1171 O THR A 76 52.669 -0.492 6.273 1.00 0.00 O ATOM 1172 CB THR A 76 55.163 -0.189 8.522 1.00 0.00 C ATOM 1173 OG1 THR A 76 54.197 0.823 8.770 1.00 0.00 O ATOM 1174 CG2 THR A 76 56.557 0.436 8.461 1.00 0.00 C ATOM 0 H THR A 76 54.595 0.718 5.802 1.00 0.00 H new ATOM 0 HA THR A 76 55.340 -1.851 7.120 1.00 0.00 H new ATOM 0 HB THR A 76 55.135 -0.923 9.327 1.00 0.00 H new ATOM 0 HG1 THR A 76 54.500 1.668 8.376 1.00 0.00 H new ATOM 0 HG21 THR A 76 56.777 0.928 9.408 1.00 0.00 H new ATOM 0 HG22 THR A 76 57.297 -0.343 8.276 1.00 0.00 H new ATOM 0 HG23 THR A 76 56.592 1.169 7.655 1.00 0.00 H new ATOM 1182 N ALA A 77 52.808 -2.031 7.832 1.00 0.00 N ATOM 1183 CA ALA A 77 51.346 -2.307 7.747 1.00 0.00 C ATOM 1184 C ALA A 77 50.561 -0.995 7.744 1.00 0.00 C ATOM 1185 O ALA A 77 49.552 -0.866 7.080 1.00 0.00 O ATOM 1186 CB ALA A 77 51.022 -3.127 8.997 1.00 0.00 C ATOM 0 H ALA A 77 53.318 -2.592 8.514 1.00 0.00 H new ATOM 0 HA ALA A 77 51.078 -2.838 6.834 1.00 0.00 H new ATOM 0 HB1 ALA A 77 49.960 -3.371 9.007 1.00 0.00 H new ATOM 0 HB2 ALA A 77 51.605 -4.048 8.989 1.00 0.00 H new ATOM 0 HB3 ALA A 77 51.270 -2.548 9.886 1.00 0.00 H new ATOM 1192 N GLY A 78 51.016 -0.019 8.480 1.00 0.00 N ATOM 1193 CA GLY A 78 50.295 1.283 8.515 1.00 0.00 C ATOM 1194 C GLY A 78 50.791 2.177 7.376 1.00 0.00 C ATOM 1195 O GLY A 78 50.681 3.385 7.434 1.00 0.00 O ATOM 0 H GLY A 78 51.855 -0.067 9.058 1.00 0.00 H new ATOM 0 HA2 GLY A 78 49.222 1.118 8.420 1.00 0.00 H new ATOM 0 HA3 GLY A 78 50.458 1.775 9.474 1.00 0.00 H new ATOM 1199 N GLU A 79 51.336 1.598 6.339 1.00 0.00 N ATOM 1200 CA GLU A 79 51.833 2.433 5.205 1.00 0.00 C ATOM 1201 C GLU A 79 51.910 1.609 3.918 1.00 0.00 C ATOM 1202 O GLU A 79 52.118 0.413 3.944 1.00 0.00 O ATOM 1203 CB GLU A 79 53.229 2.888 5.630 1.00 0.00 C ATOM 1204 CG GLU A 79 53.161 4.325 6.145 1.00 0.00 C ATOM 1205 CD GLU A 79 54.071 4.474 7.365 1.00 0.00 C ATOM 1206 OE1 GLU A 79 55.072 3.780 7.421 1.00 0.00 O ATOM 1207 OE2 GLU A 79 53.750 5.278 8.225 1.00 0.00 O ATOM 0 H GLU A 79 51.458 0.591 6.228 1.00 0.00 H new ATOM 0 HA GLU A 79 51.170 3.273 4.999 1.00 0.00 H new ATOM 0 HB2 GLU A 79 53.617 2.230 6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 79 53.916 2.825 4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 79 53.469 5.018 5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 79 52.135 4.579 6.410 1.00 0.00 H new ATOM 1214 N THR A 80 51.747 2.247 2.791 1.00 0.00 N ATOM 1215 CA THR A 80 51.813 1.515 1.496 1.00 0.00 C ATOM 1216 C THR A 80 52.436 2.412 0.422 1.00 0.00 C ATOM 1217 O THR A 80 52.077 3.563 0.277 1.00 0.00 O ATOM 1218 CB THR A 80 50.359 1.192 1.148 1.00 0.00 C ATOM 1219 OG1 THR A 80 49.492 1.989 1.944 1.00 0.00 O ATOM 1220 CG2 THR A 80 50.084 -0.288 1.417 1.00 0.00 C ATOM 0 H THR A 80 51.570 3.248 2.712 1.00 0.00 H new ATOM 0 HA THR A 80 52.424 0.615 1.557 1.00 0.00 H new ATOM 0 HB THR A 80 50.183 1.406 0.094 1.00 0.00 H new ATOM 0 HG1 THR A 80 48.560 1.783 1.720 1.00 0.00 H new ATOM 0 HG21 THR A 80 49.048 -0.517 1.169 1.00 0.00 H new ATOM 0 HG22 THR A 80 50.747 -0.899 0.804 1.00 0.00 H new ATOM 0 HG23 THR A 80 50.261 -0.505 2.470 1.00 0.00 H new ATOM 1228 N TRP A 81 53.369 1.896 -0.331 1.00 0.00 N ATOM 1229 CA TRP A 81 54.014 2.725 -1.390 1.00 0.00 C ATOM 1230 C TRP A 81 53.352 2.461 -2.747 1.00 0.00 C ATOM 1231 O TRP A 81 53.262 1.336 -3.195 1.00 0.00 O ATOM 1232 CB TRP A 81 55.476 2.279 -1.410 1.00 0.00 C ATOM 1233 CG TRP A 81 56.137 2.788 -2.653 1.00 0.00 C ATOM 1234 CD1 TRP A 81 57.037 2.099 -3.393 1.00 0.00 C ATOM 1235 CD2 TRP A 81 55.964 4.075 -3.314 1.00 0.00 C ATOM 1236 NE1 TRP A 81 57.427 2.882 -4.465 1.00 0.00 N ATOM 1237 CE2 TRP A 81 56.795 4.109 -4.459 1.00 0.00 C ATOM 1238 CE3 TRP A 81 55.176 5.207 -3.033 1.00 0.00 C ATOM 1239 CZ2 TRP A 81 56.841 5.225 -5.297 1.00 0.00 C ATOM 1240 CZ3 TRP A 81 55.220 6.330 -3.874 1.00 0.00 C ATOM 1241 CH2 TRP A 81 56.051 6.340 -5.003 1.00 0.00 C ATOM 0 H TRP A 81 53.712 0.938 -0.259 1.00 0.00 H new ATOM 0 HA TRP A 81 53.918 3.793 -1.193 1.00 0.00 H new ATOM 0 HB2 TRP A 81 55.995 2.657 -0.529 1.00 0.00 H new ATOM 0 HB3 TRP A 81 55.536 1.191 -1.373 1.00 0.00 H new ATOM 0 HD1 TRP A 81 57.392 1.101 -3.181 1.00 0.00 H new ATOM 0 HE1 TRP A 81 58.100 2.588 -5.173 1.00 0.00 H new ATOM 0 HE3 TRP A 81 54.534 5.212 -2.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 57.482 5.227 -6.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 54.609 7.192 -3.650 1.00 0.00 H new ATOM 0 HH2 TRP A 81 56.081 7.208 -5.645 1.00 0.00 H new ATOM 1252 N HIS A 82 52.892 3.492 -3.403 1.00 0.00 N ATOM 1253 CA HIS A 82 52.241 3.299 -4.730 1.00 0.00 C ATOM 1254 C HIS A 82 53.274 2.840 -5.763 1.00 0.00 C ATOM 1255 O HIS A 82 53.394 1.666 -6.055 1.00 0.00 O ATOM 1256 CB HIS A 82 51.684 4.672 -5.105 1.00 0.00 C ATOM 1257 CG HIS A 82 50.375 4.894 -4.398 1.00 0.00 C ATOM 1258 ND1 HIS A 82 50.287 4.996 -3.019 1.00 0.00 N ATOM 1259 CD2 HIS A 82 49.092 5.037 -4.867 1.00 0.00 C ATOM 1260 CE1 HIS A 82 48.993 5.190 -2.708 1.00 0.00 C ATOM 1261 NE2 HIS A 82 48.221 5.223 -3.798 1.00 0.00 N ATOM 0 H HIS A 82 52.939 4.458 -3.078 1.00 0.00 H new ATOM 0 HA HIS A 82 51.461 2.538 -4.699 1.00 0.00 H new ATOM 0 HB2 HIS A 82 52.394 5.452 -4.830 1.00 0.00 H new ATOM 0 HB3 HIS A 82 51.542 4.736 -6.184 1.00 0.00 H new ATOM 0 HD2 HIS A 82 48.803 5.009 -5.907 1.00 0.00 H new ATOM 0 HE1 HIS A 82 48.623 5.305 -1.700 1.00 0.00 H new ATOM 0 HE2 HIS A 82 47.210 5.356 -3.838 1.00 0.00 H new ATOM 1269 N GLY A 83 54.023 3.755 -6.316 1.00 0.00 N ATOM 1270 CA GLY A 83 55.048 3.367 -7.327 1.00 0.00 C ATOM 1271 C GLY A 83 55.312 4.541 -8.272 1.00 0.00 C ATOM 1272 O GLY A 83 54.401 5.115 -8.835 1.00 0.00 O ATOM 0 H GLY A 83 53.970 4.753 -6.112 1.00 0.00 H new ATOM 0 HA2 GLY A 83 55.972 3.075 -6.828 1.00 0.00 H new ATOM 0 HA3 GLY A 83 54.704 2.502 -7.894 1.00 0.00 H new ATOM 1276 N TYR A 84 56.554 4.900 -8.455 1.00 0.00 N ATOM 1277 CA TYR A 84 56.877 6.033 -9.368 1.00 0.00 C ATOM 1278 C TYR A 84 56.377 5.724 -10.783 1.00 0.00 C ATOM 1279 O TYR A 84 56.592 4.649 -11.306 1.00 0.00 O ATOM 1280 CB TYR A 84 58.404 6.133 -9.342 1.00 0.00 C ATOM 1281 CG TYR A 84 58.857 7.248 -10.254 1.00 0.00 C ATOM 1282 CD1 TYR A 84 59.097 6.990 -11.608 1.00 0.00 C ATOM 1283 CD2 TYR A 84 59.043 8.539 -9.744 1.00 0.00 C ATOM 1284 CE1 TYR A 84 59.520 8.023 -12.453 1.00 0.00 C ATOM 1285 CE2 TYR A 84 59.466 9.572 -10.589 1.00 0.00 C ATOM 1286 CZ TYR A 84 59.705 9.314 -11.944 1.00 0.00 C ATOM 1287 OH TYR A 84 60.123 10.331 -12.778 1.00 0.00 O ATOM 0 H TYR A 84 57.359 4.457 -8.011 1.00 0.00 H new ATOM 0 HA TYR A 84 56.404 6.966 -9.062 1.00 0.00 H new ATOM 0 HB2 TYR A 84 58.748 6.320 -8.325 1.00 0.00 H new ATOM 0 HB3 TYR A 84 58.845 5.188 -9.660 1.00 0.00 H new ATOM 0 HD1 TYR A 84 58.956 5.994 -12.001 1.00 0.00 H new ATOM 0 HD2 TYR A 84 58.860 8.738 -8.698 1.00 0.00 H new ATOM 0 HE1 TYR A 84 59.704 7.824 -13.498 1.00 0.00 H new ATOM 0 HE2 TYR A 84 59.608 10.568 -10.196 1.00 0.00 H new ATOM 0 HH TYR A 84 60.200 11.163 -12.266 1.00 0.00 H new ATOM 1297 N VAL A 85 55.706 6.656 -11.402 1.00 0.00 N ATOM 1298 CA VAL A 85 55.186 6.412 -12.778 1.00 0.00 C ATOM 1299 C VAL A 85 56.300 6.605 -13.811 1.00 0.00 C ATOM 1300 O VAL A 85 57.352 7.135 -13.512 1.00 0.00 O ATOM 1301 CB VAL A 85 54.086 7.456 -12.970 1.00 0.00 C ATOM 1302 CG1 VAL A 85 53.098 7.378 -11.806 1.00 0.00 C ATOM 1303 CG2 VAL A 85 54.708 8.853 -13.016 1.00 0.00 C ATOM 0 H VAL A 85 55.495 7.576 -11.015 1.00 0.00 H new ATOM 0 HA VAL A 85 54.813 5.396 -12.906 1.00 0.00 H new ATOM 0 HB VAL A 85 53.562 7.260 -13.906 1.00 0.00 H new ATOM 0 HG11 VAL A 85 52.314 8.123 -11.944 1.00 0.00 H new ATOM 0 HG12 VAL A 85 52.652 6.384 -11.773 1.00 0.00 H new ATOM 0 HG13 VAL A 85 53.622 7.572 -10.870 1.00 0.00 H new ATOM 0 HG21 VAL A 85 53.923 9.597 -13.153 1.00 0.00 H new ATOM 0 HG22 VAL A 85 55.234 9.048 -12.081 1.00 0.00 H new ATOM 0 HG23 VAL A 85 55.411 8.911 -13.847 1.00 0.00 H new ATOM 1313 N SER A 86 56.078 6.177 -15.025 1.00 0.00 N ATOM 1314 CA SER A 86 57.126 6.337 -16.075 1.00 0.00 C ATOM 1315 C SER A 86 56.811 7.552 -16.952 1.00 0.00 C ATOM 1316 O SER A 86 56.607 7.432 -18.144 1.00 0.00 O ATOM 1317 CB SER A 86 57.063 5.052 -16.898 1.00 0.00 C ATOM 1318 OG SER A 86 56.045 5.174 -17.883 1.00 0.00 O ATOM 0 H SER A 86 55.218 5.724 -15.335 1.00 0.00 H new ATOM 0 HA SER A 86 58.116 6.499 -15.649 1.00 0.00 H new ATOM 0 HB2 SER A 86 58.025 4.864 -17.374 1.00 0.00 H new ATOM 0 HB3 SER A 86 56.857 4.201 -16.249 1.00 0.00 H new ATOM 0 HG SER A 86 56.353 5.766 -18.600 1.00 0.00 H new ATOM 1324 N ASP A 87 56.770 8.719 -16.371 1.00 0.00 N ATOM 1325 CA ASP A 87 56.468 9.939 -17.173 1.00 0.00 C ATOM 1326 C ASP A 87 55.146 9.763 -17.925 1.00 0.00 C ATOM 1327 O ASP A 87 55.179 9.233 -19.024 1.00 0.00 O ATOM 1328 CB ASP A 87 57.632 10.065 -18.154 1.00 0.00 C ATOM 1329 CG ASP A 87 58.722 10.948 -17.544 1.00 0.00 C ATOM 1330 OD1 ASP A 87 58.382 11.816 -16.757 1.00 0.00 O ATOM 1331 OD2 ASP A 87 59.879 10.741 -17.873 1.00 0.00 O ATOM 1332 OXT ASP A 87 54.124 10.158 -17.389 1.00 0.00 O ATOM 0 H ASP A 87 56.932 8.881 -15.377 1.00 0.00 H new ATOM 0 HA ASP A 87 56.362 10.828 -16.551 1.00 0.00 H new ATOM 0 HB2 ASP A 87 58.035 9.079 -18.385 1.00 0.00 H new ATOM 0 HB3 ASP A 87 57.285 10.495 -19.093 1.00 0.00 H new TER 1337 ASP A 87