USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 685 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 41 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 1.32 (180deg=-0.419) USER MOD Single : A 3 MET CE :methyl -170:sc= 0 (180deg=-0.105) USER MOD Single : A 5 LYS NZ :NH3+ -103:sc= 0.468 (180deg=-0.169) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0514 USER MOD Single : A 13 LYS NZ :NH3+ -125:sc= 0.401 (180deg=-0.201) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.728 USER MOD Single : A 19 TYR OH : rot -177:sc= 1.16 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.0286 K(o=-0.029,f=-0.86) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 123:sc= 0.162 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 19:sc= 0.109 USER MOD Single : A 85 SER OG : rot 105:sc= 1.38 USER MOD Single : A 86 HIS : no HD1:sc= -0.028 X(o=-0.028,f=-0.028) USER MOD Single : A 88 GLN : amide:sc= 0.673 K(o=0.67,f=-4!) USER MOD Single : A 91 LYS NZ :NH3+ -172:sc= -0.0147 (180deg=-0.147) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.664 1.191 -23.881 1.00 2.01 N ATOM 2 CA GLY A 1 5.370 1.441 -22.608 1.00 52.02 C ATOM 3 C GLY A 1 4.485 2.164 -21.626 1.00 44.44 C ATOM 4 O GLY A 1 3.426 2.633 -22.013 1.00 32.20 O ATOM 0 H1 GLY A 1 4.637 0.168 -24.068 1.00 2.01 H new ATOM 0 H2 GLY A 1 3.693 1.557 -23.817 1.00 2.01 H new ATOM 0 H3 GLY A 1 5.165 1.671 -24.656 1.00 2.01 H new ATOM 0 HA2 GLY A 1 5.696 0.494 -22.178 1.00 52.02 H new ATOM 0 HA3 GLY A 1 6.267 2.031 -22.796 1.00 52.02 H new ATOM 8 N ALA A 2 4.893 2.256 -20.365 1.00 62.54 N ATOM 9 CA ALA A 2 4.104 2.942 -19.346 1.00 11.14 C ATOM 10 C ALA A 2 5.050 3.648 -18.375 1.00 5.40 C ATOM 11 O ALA A 2 6.182 3.214 -18.193 1.00 61.52 O ATOM 12 CB ALA A 2 3.218 1.932 -18.597 1.00 40.45 C ATOM 0 H ALA A 2 5.769 1.863 -20.022 1.00 62.54 H new ATOM 0 HA ALA A 2 3.456 3.681 -19.817 1.00 11.14 H new ATOM 0 HB1 ALA A 2 2.633 2.453 -17.839 1.00 40.45 H new ATOM 0 HB2 ALA A 2 2.545 1.445 -19.303 1.00 40.45 H new ATOM 0 HB3 ALA A 2 3.847 1.182 -18.118 1.00 40.45 H new ATOM 18 N MET A 3 4.570 4.717 -17.751 1.00 60.13 N ATOM 19 CA MET A 3 5.376 5.515 -16.815 1.00 1.24 C ATOM 20 C MET A 3 5.009 5.244 -15.356 1.00 21.42 C ATOM 21 O MET A 3 5.512 5.902 -14.458 1.00 25.14 O ATOM 22 CB MET A 3 5.153 7.010 -17.094 1.00 21.14 C ATOM 23 CG MET A 3 5.661 7.470 -18.458 1.00 11.34 C ATOM 24 SD MET A 3 7.461 7.360 -18.600 1.00 21.54 S ATOM 25 CE MET A 3 8.011 8.717 -17.531 1.00 72.21 C ATOM 0 H MET A 3 3.617 5.060 -17.874 1.00 60.13 H new ATOM 0 HA MET A 3 6.418 5.233 -16.967 1.00 1.24 H new ATOM 0 HB2 MET A 3 4.087 7.227 -17.023 1.00 21.14 H new ATOM 0 HB3 MET A 3 5.650 7.592 -16.318 1.00 21.14 H new ATOM 0 HG2 MET A 3 5.201 6.863 -19.237 1.00 11.34 H new ATOM 0 HG3 MET A 3 5.348 8.500 -18.630 1.00 11.34 H new ATOM 0 HE1 MET A 3 9.081 8.875 -17.665 1.00 72.21 H new ATOM 0 HE2 MET A 3 7.474 9.628 -17.794 1.00 72.21 H new ATOM 0 HE3 MET A 3 7.809 8.465 -16.490 1.00 72.21 H new ATOM 35 N ALA A 4 4.092 4.311 -15.134 1.00 12.33 N ATOM 36 CA ALA A 4 3.543 4.063 -13.796 1.00 74.44 C ATOM 37 C ALA A 4 4.589 3.633 -12.757 1.00 13.51 C ATOM 38 O ALA A 4 4.497 4.005 -11.590 1.00 2.10 O ATOM 39 CB ALA A 4 2.431 3.009 -13.890 1.00 63.12 C ATOM 0 H ALA A 4 3.708 3.709 -15.862 1.00 12.33 H new ATOM 0 HA ALA A 4 3.148 5.015 -13.442 1.00 74.44 H new ATOM 0 HB1 ALA A 4 2.021 2.823 -12.897 1.00 63.12 H new ATOM 0 HB2 ALA A 4 1.640 3.372 -14.547 1.00 63.12 H new ATOM 0 HB3 ALA A 4 2.841 2.083 -14.293 1.00 63.12 H new ATOM 45 N LYS A 5 5.574 2.850 -13.174 1.00 31.43 N ATOM 46 CA LYS A 5 6.624 2.390 -12.260 1.00 42.11 C ATOM 47 C LYS A 5 7.925 3.118 -12.526 1.00 11.30 C ATOM 48 O LYS A 5 8.307 3.341 -13.679 1.00 64.24 O ATOM 49 CB LYS A 5 6.844 0.882 -12.401 1.00 40.23 C ATOM 50 CG LYS A 5 6.059 0.047 -11.390 1.00 23.03 C ATOM 51 CD LYS A 5 6.709 0.064 -9.996 1.00 71.51 C ATOM 52 CE LYS A 5 6.004 -0.931 -9.079 1.00 3.32 C ATOM 53 NZ LYS A 5 6.688 -1.113 -7.752 1.00 54.24 N ATOM 0 H LYS A 5 5.673 2.518 -14.133 1.00 31.43 H new ATOM 0 HA LYS A 5 6.297 2.608 -11.243 1.00 42.11 H new ATOM 0 HB2 LYS A 5 6.562 0.576 -13.408 1.00 40.23 H new ATOM 0 HB3 LYS A 5 7.907 0.667 -12.288 1.00 40.23 H new ATOM 0 HG2 LYS A 5 5.040 0.428 -11.319 1.00 23.03 H new ATOM 0 HG3 LYS A 5 5.991 -0.981 -11.745 1.00 23.03 H new ATOM 0 HD2 LYS A 5 7.766 -0.189 -10.076 1.00 71.51 H new ATOM 0 HD3 LYS A 5 6.652 1.066 -9.571 1.00 71.51 H new ATOM 0 HE2 LYS A 5 4.981 -0.594 -8.908 1.00 3.32 H new ATOM 0 HE3 LYS A 5 5.942 -1.896 -9.582 1.00 3.32 H new ATOM 0 HZ1 LYS A 5 7.215 -2.010 -7.753 1.00 54.24 H new ATOM 0 HZ2 LYS A 5 7.347 -0.325 -7.590 1.00 54.24 H new ATOM 0 HZ3 LYS A 5 5.976 -1.131 -6.994 1.00 54.24 H new ATOM 67 N ALA A 6 8.614 3.452 -11.454 1.00 23.32 N ATOM 68 CA ALA A 6 9.914 4.088 -11.495 1.00 43.13 C ATOM 69 C ALA A 6 10.783 3.234 -10.580 1.00 72.21 C ATOM 70 O ALA A 6 10.233 2.488 -9.765 1.00 32.32 O ATOM 71 CB ALA A 6 9.801 5.537 -10.966 1.00 41.21 C ATOM 0 H ALA A 6 8.276 3.284 -10.506 1.00 23.32 H new ATOM 0 HA ALA A 6 10.329 4.153 -12.501 1.00 43.13 H new ATOM 0 HB1 ALA A 6 10.781 6.013 -10.998 1.00 41.21 H new ATOM 0 HB2 ALA A 6 9.104 6.098 -11.588 1.00 41.21 H new ATOM 0 HB3 ALA A 6 9.438 5.522 -9.938 1.00 41.21 H new ATOM 77 N PRO A 7 12.122 3.303 -10.706 1.00 54.23 N ATOM 78 CA PRO A 7 12.894 2.452 -9.796 1.00 41.03 C ATOM 79 C PRO A 7 12.832 2.949 -8.359 1.00 21.22 C ATOM 80 O PRO A 7 12.763 4.150 -8.104 1.00 74.11 O ATOM 81 CB PRO A 7 14.309 2.551 -10.354 1.00 53.03 C ATOM 82 CG PRO A 7 14.367 3.888 -10.978 1.00 34.30 C ATOM 83 CD PRO A 7 13.008 4.077 -11.599 1.00 41.54 C ATOM 0 HA PRO A 7 12.515 1.431 -9.751 1.00 41.03 H new ATOM 0 HB2 PRO A 7 15.055 2.448 -9.566 1.00 53.03 H new ATOM 0 HB3 PRO A 7 14.505 1.764 -11.082 1.00 53.03 H new ATOM 0 HG2 PRO A 7 14.576 4.662 -10.239 1.00 34.30 H new ATOM 0 HG3 PRO A 7 15.156 3.942 -11.728 1.00 34.30 H new ATOM 0 HD2 PRO A 7 12.724 5.129 -11.636 1.00 41.54 H new ATOM 0 HD3 PRO A 7 12.976 3.702 -12.622 1.00 41.54 H new ATOM 91 N GLU A 8 12.874 2.012 -7.432 1.00 34.22 N ATOM 92 CA GLU A 8 12.842 2.319 -6.005 1.00 13.45 C ATOM 93 C GLU A 8 14.267 2.178 -5.469 1.00 34.33 C ATOM 94 O GLU A 8 14.745 3.017 -4.714 1.00 71.21 O ATOM 95 CB GLU A 8 11.880 1.352 -5.301 1.00 31.45 C ATOM 96 CG GLU A 8 10.422 1.533 -5.756 1.00 73.44 C ATOM 97 CD GLU A 8 9.513 0.400 -5.298 1.00 71.04 C ATOM 98 OE1 GLU A 8 9.698 -0.130 -4.180 1.00 62.22 O ATOM 99 OE2 GLU A 8 8.599 0.030 -6.080 1.00 23.43 O ATOM 0 H GLU A 8 12.931 1.015 -7.641 1.00 34.22 H new ATOM 0 HA GLU A 8 12.486 3.333 -5.822 1.00 13.45 H new ATOM 0 HB2 GLU A 8 12.193 0.327 -5.497 1.00 31.45 H new ATOM 0 HB3 GLU A 8 11.942 1.504 -4.223 1.00 31.45 H new ATOM 0 HG2 GLU A 8 10.040 2.478 -5.368 1.00 73.44 H new ATOM 0 HG3 GLU A 8 10.392 1.599 -6.844 1.00 73.44 H new ATOM 106 N SER A 9 14.960 1.137 -5.917 1.00 11.04 N ATOM 107 CA SER A 9 16.383 0.966 -5.613 1.00 43.50 C ATOM 108 C SER A 9 17.245 1.334 -6.827 1.00 62.22 C ATOM 109 O SER A 9 16.831 1.179 -7.976 1.00 62.44 O ATOM 110 CB SER A 9 16.665 -0.463 -5.153 1.00 71.34 C ATOM 111 OG SER A 9 15.928 -0.759 -3.986 1.00 40.21 O ATOM 0 H SER A 9 14.562 0.395 -6.493 1.00 11.04 H new ATOM 0 HA SER A 9 16.645 1.641 -4.799 1.00 43.50 H new ATOM 0 HB2 SER A 9 16.402 -1.165 -5.944 1.00 71.34 H new ATOM 0 HB3 SER A 9 17.731 -0.586 -4.959 1.00 71.34 H new ATOM 0 HG SER A 9 16.117 -1.678 -3.704 1.00 40.21 H new ATOM 117 N ALA A 10 18.459 1.809 -6.581 1.00 23.14 N ATOM 118 CA ALA A 10 19.337 2.272 -7.662 1.00 42.34 C ATOM 119 C ALA A 10 19.734 1.196 -8.686 1.00 44.15 C ATOM 120 O ALA A 10 19.891 1.502 -9.859 1.00 24.00 O ATOM 121 CB ALA A 10 20.586 2.890 -7.070 1.00 61.52 C ATOM 0 H ALA A 10 18.863 1.886 -5.647 1.00 23.14 H new ATOM 0 HA ALA A 10 18.752 3.004 -8.219 1.00 42.34 H new ATOM 0 HB1 ALA A 10 21.238 3.234 -7.873 1.00 61.52 H new ATOM 0 HB2 ALA A 10 20.310 3.735 -6.440 1.00 61.52 H new ATOM 0 HB3 ALA A 10 21.111 2.146 -6.470 1.00 61.52 H new ATOM 127 N THR A 11 19.931 -0.041 -8.256 1.00 34.04 N ATOM 128 CA THR A 11 20.350 -1.111 -9.171 1.00 3.41 C ATOM 129 C THR A 11 19.222 -1.468 -10.149 1.00 33.34 C ATOM 130 O THR A 11 19.474 -1.930 -11.240 1.00 35.02 O ATOM 131 CB THR A 11 20.719 -2.375 -8.421 1.00 75.12 C ATOM 132 OG1 THR A 11 21.158 -2.010 -7.111 1.00 12.21 O ATOM 133 CG2 THR A 11 21.841 -3.134 -9.146 1.00 5.44 C ATOM 0 H THR A 11 19.810 -0.335 -7.287 1.00 34.04 H new ATOM 0 HA THR A 11 21.219 -0.732 -9.709 1.00 3.41 H new ATOM 0 HB THR A 11 19.848 -3.028 -8.366 1.00 75.12 H new ATOM 0 HG1 THR A 11 21.400 -2.817 -6.610 1.00 12.21 H new ATOM 0 HG21 THR A 11 22.088 -4.037 -8.589 1.00 5.44 H new ATOM 0 HG22 THR A 11 21.508 -3.405 -10.148 1.00 5.44 H new ATOM 0 HG23 THR A 11 22.724 -2.498 -9.217 1.00 5.44 H new ATOM 141 N GLU A 12 17.971 -1.289 -9.741 1.00 24.43 N ATOM 142 CA GLU A 12 16.847 -1.685 -10.554 1.00 73.22 C ATOM 143 C GLU A 12 16.854 -0.930 -11.855 1.00 0.20 C ATOM 144 O GLU A 12 16.478 -1.516 -12.892 1.00 65.22 O ATOM 145 CB GLU A 12 15.569 -1.332 -9.844 1.00 13.20 C ATOM 146 CG GLU A 12 15.475 -1.941 -8.466 1.00 4.21 C ATOM 147 CD GLU A 12 14.190 -1.732 -7.767 1.00 22.42 C ATOM 148 OE1 GLU A 12 13.605 -0.641 -7.952 1.00 70.13 O ATOM 149 OE2 GLU A 12 13.824 -2.573 -6.932 1.00 1.42 O ATOM 0 H GLU A 12 17.718 -0.869 -8.846 1.00 24.43 H new ATOM 0 HA GLU A 12 16.917 -2.758 -10.735 1.00 73.22 H new ATOM 0 HB2 GLU A 12 15.492 -0.248 -9.763 1.00 13.20 H new ATOM 0 HB3 GLU A 12 14.722 -1.668 -10.443 1.00 13.20 H new ATOM 0 HG2 GLU A 12 15.654 -3.013 -8.548 1.00 4.21 H new ATOM 0 HG3 GLU A 12 16.275 -1.530 -7.850 1.00 4.21 H new ATOM 156 N LYS A 13 17.366 0.298 -11.828 1.00 74.55 N ATOM 157 CA LYS A 13 17.435 1.079 -13.075 1.00 73.44 C ATOM 158 C LYS A 13 18.423 0.490 -14.066 1.00 72.21 C ATOM 159 O LYS A 13 18.254 0.641 -15.257 1.00 43.15 O ATOM 160 CB LYS A 13 17.748 2.522 -12.731 1.00 22.52 C ATOM 161 CG LYS A 13 19.239 2.844 -12.688 1.00 72.15 C ATOM 162 CD LYS A 13 19.509 4.171 -12.021 1.00 52.13 C ATOM 163 CE LYS A 13 21.004 4.503 -12.036 1.00 23.50 C ATOM 164 NZ LYS A 13 21.799 3.531 -11.200 1.00 2.53 N ATOM 0 H LYS A 13 17.728 0.765 -10.996 1.00 74.55 H new ATOM 0 HA LYS A 13 16.468 1.039 -13.577 1.00 73.44 H new ATOM 0 HB2 LYS A 13 17.268 3.171 -13.464 1.00 22.52 H new ATOM 0 HB3 LYS A 13 17.309 2.756 -11.761 1.00 22.52 H new ATOM 0 HG2 LYS A 13 19.766 2.054 -12.152 1.00 72.15 H new ATOM 0 HG3 LYS A 13 19.636 2.860 -13.703 1.00 72.15 H new ATOM 0 HD2 LYS A 13 18.954 4.958 -12.532 1.00 52.13 H new ATOM 0 HD3 LYS A 13 19.150 4.144 -10.992 1.00 52.13 H new ATOM 0 HE2 LYS A 13 21.371 4.485 -13.062 1.00 23.50 H new ATOM 0 HE3 LYS A 13 21.156 5.515 -11.661 1.00 23.50 H new ATOM 0 HZ1 LYS A 13 22.356 4.054 -10.495 1.00 2.53 H new ATOM 0 HZ2 LYS A 13 21.150 2.880 -10.714 1.00 2.53 H new ATOM 0 HZ3 LYS A 13 22.439 2.988 -11.814 1.00 2.53 H new ATOM 178 N VAL A 14 19.502 -0.110 -13.575 1.00 61.25 N ATOM 179 CA VAL A 14 20.552 -0.658 -14.475 1.00 54.23 C ATOM 180 C VAL A 14 19.982 -1.936 -15.095 1.00 3.00 C ATOM 181 O VAL A 14 20.171 -2.198 -16.278 1.00 0.32 O ATOM 182 CB VAL A 14 21.940 -0.823 -13.769 1.00 61.10 C ATOM 183 CG1 VAL A 14 22.173 0.250 -12.686 1.00 30.40 C ATOM 184 CG2 VAL A 14 22.131 -2.175 -13.122 1.00 44.00 C ATOM 0 H VAL A 14 19.686 -0.236 -12.580 1.00 61.25 H new ATOM 0 HA VAL A 14 20.788 0.045 -15.274 1.00 54.23 H new ATOM 0 HB VAL A 14 22.664 -0.712 -14.577 1.00 61.10 H new ATOM 0 HG11 VAL A 14 23.148 0.095 -12.224 1.00 30.40 H new ATOM 0 HG12 VAL A 14 22.140 1.240 -13.141 1.00 30.40 H new ATOM 0 HG13 VAL A 14 21.395 0.175 -11.926 1.00 30.40 H new ATOM 0 HG21 VAL A 14 23.114 -2.218 -12.653 1.00 44.00 H new ATOM 0 HG22 VAL A 14 21.361 -2.329 -12.366 1.00 44.00 H new ATOM 0 HG23 VAL A 14 22.056 -2.955 -13.880 1.00 44.00 H new ATOM 194 N LEU A 15 19.267 -2.715 -14.312 1.00 31.42 N ATOM 195 CA LEU A 15 18.681 -3.968 -14.771 1.00 33.44 C ATOM 196 C LEU A 15 17.563 -3.663 -15.762 1.00 34.33 C ATOM 197 O LEU A 15 17.429 -4.333 -16.774 1.00 73.53 O ATOM 198 CB LEU A 15 18.122 -4.721 -13.571 1.00 71.14 C ATOM 199 CG LEU A 15 19.178 -5.084 -12.537 1.00 33.14 C ATOM 200 CD1 LEU A 15 18.515 -5.311 -11.229 1.00 44.22 C ATOM 201 CD2 LEU A 15 19.932 -6.306 -12.944 1.00 75.22 C ATOM 0 H LEU A 15 19.072 -2.501 -13.334 1.00 31.42 H new ATOM 0 HA LEU A 15 19.437 -4.580 -15.262 1.00 33.44 H new ATOM 0 HB2 LEU A 15 17.353 -4.112 -13.095 1.00 71.14 H new ATOM 0 HB3 LEU A 15 17.636 -5.633 -13.918 1.00 71.14 H new ATOM 0 HG LEU A 15 19.890 -4.262 -12.458 1.00 33.14 H new ATOM 0 HD11 LEU A 15 19.264 -5.572 -10.482 1.00 44.22 H new ATOM 0 HD12 LEU A 15 17.996 -4.403 -10.921 1.00 44.22 H new ATOM 0 HD13 LEU A 15 17.796 -6.125 -11.322 1.00 44.22 H new ATOM 0 HD21 LEU A 15 20.680 -6.541 -12.186 1.00 75.22 H new ATOM 0 HD22 LEU A 15 19.241 -7.143 -13.045 1.00 75.22 H new ATOM 0 HD23 LEU A 15 20.427 -6.127 -13.899 1.00 75.22 H new ATOM 213 N CYS A 16 16.816 -2.608 -15.473 1.00 61.20 N ATOM 214 CA CYS A 16 15.780 -2.128 -16.343 1.00 73.02 C ATOM 215 C CYS A 16 16.311 -1.724 -17.716 1.00 25.45 C ATOM 216 O CYS A 16 15.665 -1.996 -18.738 1.00 71.14 O ATOM 217 CB CYS A 16 15.128 -0.895 -15.677 1.00 75.40 C ATOM 218 SG CYS A 16 13.757 -0.228 -16.591 1.00 12.25 S ATOM 0 H CYS A 16 16.922 -2.063 -14.617 1.00 61.20 H new ATOM 0 HA CYS A 16 15.063 -2.934 -16.495 1.00 73.02 H new ATOM 0 HB2 CYS A 16 14.788 -1.170 -14.679 1.00 75.40 H new ATOM 0 HB3 CYS A 16 15.883 -0.118 -15.554 1.00 75.40 H new ATOM 0 HG CYS A 16 13.272 0.799 -15.959 1.00 12.25 H new ATOM 224 N ALA A 17 17.473 -1.074 -17.735 1.00 13.31 N ATOM 225 CA ALA A 17 18.096 -0.704 -18.999 1.00 11.11 C ATOM 226 C ALA A 17 18.561 -1.952 -19.753 1.00 33.40 C ATOM 227 O ALA A 17 18.377 -2.057 -20.939 1.00 25.23 O ATOM 228 CB ALA A 17 19.327 0.212 -18.714 1.00 24.02 C ATOM 0 H ALA A 17 17.993 -0.797 -16.903 1.00 13.31 H new ATOM 0 HA ALA A 17 17.366 -0.174 -19.611 1.00 11.11 H new ATOM 0 HB1 ALA A 17 19.798 0.492 -19.656 1.00 24.02 H new ATOM 0 HB2 ALA A 17 18.999 1.110 -18.191 1.00 24.02 H new ATOM 0 HB3 ALA A 17 20.045 -0.326 -18.095 1.00 24.02 H new ATOM 234 N LEU A 18 19.113 -2.911 -19.011 1.00 1.14 N ATOM 235 CA LEU A 18 19.597 -4.130 -19.595 1.00 21.44 C ATOM 236 C LEU A 18 18.465 -4.926 -20.240 1.00 74.21 C ATOM 237 O LEU A 18 18.657 -5.539 -21.305 1.00 63.11 O ATOM 238 CB LEU A 18 20.179 -5.022 -18.491 1.00 71.31 C ATOM 239 CG LEU A 18 21.757 -5.185 -18.404 1.00 11.34 C ATOM 240 CD1 LEU A 18 22.224 -5.768 -19.672 1.00 24.20 C ATOM 241 CD2 LEU A 18 22.488 -3.824 -18.130 1.00 4.12 C ATOM 0 H LEU A 18 19.230 -2.853 -17.999 1.00 1.14 H new ATOM 0 HA LEU A 18 20.341 -3.860 -20.344 1.00 21.44 H new ATOM 0 HB2 LEU A 18 19.832 -4.634 -17.533 1.00 71.31 H new ATOM 0 HB3 LEU A 18 19.748 -6.017 -18.607 1.00 71.31 H new ATOM 0 HG LEU A 18 21.995 -5.836 -17.563 1.00 11.34 H new ATOM 0 HD11 LEU A 18 23.307 -5.891 -19.639 1.00 24.20 H new ATOM 0 HD12 LEU A 18 21.753 -6.740 -19.821 1.00 24.20 H new ATOM 0 HD13 LEU A 18 21.959 -5.106 -20.496 1.00 24.20 H new ATOM 0 HD21 LEU A 18 23.564 -3.992 -18.080 1.00 4.12 H new ATOM 0 HD22 LEU A 18 22.267 -3.124 -18.936 1.00 4.12 H new ATOM 0 HD23 LEU A 18 22.141 -3.409 -17.184 1.00 4.12 H new ATOM 253 N TYR A 19 17.275 -4.864 -19.675 1.00 14.44 N ATOM 254 CA TYR A 19 16.106 -5.529 -20.271 1.00 51.12 C ATOM 255 C TYR A 19 15.744 -4.809 -21.567 1.00 32.12 C ATOM 256 O TYR A 19 15.497 -5.457 -22.588 1.00 63.21 O ATOM 257 CB TYR A 19 14.894 -5.460 -19.330 1.00 53.43 C ATOM 258 CG TYR A 19 14.812 -6.515 -18.240 1.00 73.15 C ATOM 259 CD1 TYR A 19 15.952 -6.946 -17.523 1.00 24.42 C ATOM 260 CD2 TYR A 19 13.563 -7.080 -17.908 1.00 20.01 C ATOM 261 CE1 TYR A 19 15.835 -7.916 -16.490 1.00 62.11 C ATOM 262 CE2 TYR A 19 13.450 -8.054 -16.887 1.00 53.31 C ATOM 263 CZ TYR A 19 14.584 -8.457 -16.187 1.00 14.00 C ATOM 264 OH TYR A 19 14.484 -9.401 -15.202 1.00 24.14 O ATOM 0 H TYR A 19 17.080 -4.365 -18.807 1.00 14.44 H new ATOM 0 HA TYR A 19 16.356 -6.574 -20.453 1.00 51.12 H new ATOM 0 HB2 TYR A 19 14.889 -4.479 -18.855 1.00 53.43 H new ATOM 0 HB3 TYR A 19 13.990 -5.526 -19.935 1.00 53.43 H new ATOM 0 HD1 TYR A 19 16.921 -6.534 -17.762 1.00 24.42 H new ATOM 0 HD2 TYR A 19 12.679 -6.764 -18.441 1.00 20.01 H new ATOM 0 HE1 TYR A 19 16.710 -8.233 -15.942 1.00 62.11 H new ATOM 0 HE2 TYR A 19 12.487 -8.483 -16.652 1.00 53.31 H new ATOM 0 HH TYR A 19 13.557 -9.714 -15.141 1.00 24.14 H new ATOM 274 N ALA A 20 15.690 -3.479 -21.527 1.00 32.43 N ATOM 275 CA ALA A 20 15.297 -2.683 -22.694 1.00 44.20 C ATOM 276 C ALA A 20 16.242 -2.856 -23.885 1.00 34.03 C ATOM 277 O ALA A 20 15.799 -2.842 -25.025 1.00 10.20 O ATOM 278 CB ALA A 20 15.235 -1.183 -22.287 1.00 53.40 C ATOM 0 H ALA A 20 15.913 -2.927 -20.699 1.00 32.43 H new ATOM 0 HA ALA A 20 14.319 -3.040 -23.017 1.00 44.20 H new ATOM 0 HB1 ALA A 20 14.943 -0.584 -23.150 1.00 53.40 H new ATOM 0 HB2 ALA A 20 14.503 -1.052 -21.490 1.00 53.40 H new ATOM 0 HB3 ALA A 20 16.215 -0.860 -21.936 1.00 53.40 H new ATOM 284 N GLU A 21 17.536 -2.987 -23.608 1.00 11.34 N ATOM 285 CA GLU A 21 18.537 -3.082 -24.675 1.00 22.42 C ATOM 286 C GLU A 21 18.333 -4.340 -25.507 1.00 14.21 C ATOM 287 O GLU A 21 18.515 -4.347 -26.706 1.00 12.43 O ATOM 288 CB GLU A 21 19.951 -3.106 -24.074 1.00 33.25 C ATOM 289 CG GLU A 21 20.453 -1.761 -23.537 1.00 54.14 C ATOM 290 CD GLU A 21 21.067 -0.892 -24.621 1.00 23.50 C ATOM 291 OE1 GLU A 21 20.314 -0.289 -25.410 1.00 50.12 O ATOM 292 OE2 GLU A 21 22.314 -0.811 -24.673 1.00 21.31 O ATOM 0 H GLU A 21 17.918 -3.030 -22.663 1.00 11.34 H new ATOM 0 HA GLU A 21 18.421 -2.209 -25.317 1.00 22.42 H new ATOM 0 HB2 GLU A 21 19.972 -3.834 -23.263 1.00 33.25 H new ATOM 0 HB3 GLU A 21 20.647 -3.458 -24.836 1.00 33.25 H new ATOM 0 HG2 GLU A 21 19.624 -1.226 -23.074 1.00 54.14 H new ATOM 0 HG3 GLU A 21 21.193 -1.939 -22.756 1.00 54.14 H new ATOM 299 N ILE A 22 17.963 -5.407 -24.837 1.00 35.32 N ATOM 300 CA ILE A 22 17.785 -6.696 -25.480 1.00 31.12 C ATOM 301 C ILE A 22 16.403 -6.751 -26.164 1.00 62.43 C ATOM 302 O ILE A 22 16.236 -7.377 -27.212 1.00 24.45 O ATOM 303 CB ILE A 22 17.914 -7.824 -24.432 1.00 74.00 C ATOM 304 CG1 ILE A 22 19.360 -7.810 -23.858 1.00 14.02 C ATOM 305 CG2 ILE A 22 17.637 -9.241 -25.068 1.00 65.31 C ATOM 306 CD1 ILE A 22 19.572 -8.758 -22.698 1.00 21.40 C ATOM 0 H ILE A 22 17.777 -5.410 -23.834 1.00 35.32 H new ATOM 0 HA ILE A 22 18.556 -6.833 -26.238 1.00 31.12 H new ATOM 0 HB ILE A 22 17.177 -7.649 -23.648 1.00 74.00 H new ATOM 0 HG12 ILE A 22 20.058 -8.066 -24.655 1.00 14.02 H new ATOM 0 HG13 ILE A 22 19.602 -6.797 -23.535 1.00 14.02 H new ATOM 0 HG21 ILE A 22 17.737 -10.010 -24.302 1.00 65.31 H new ATOM 0 HG22 ILE A 22 16.627 -9.265 -25.477 1.00 65.31 H new ATOM 0 HG23 ILE A 22 18.356 -9.429 -25.866 1.00 65.31 H new ATOM 0 HD11 ILE A 22 20.604 -8.689 -22.355 1.00 21.40 H new ATOM 0 HD12 ILE A 22 18.900 -8.491 -21.882 1.00 21.40 H new ATOM 0 HD13 ILE A 22 19.364 -9.779 -23.020 1.00 21.40 H new ATOM 318 N LEU A 23 15.413 -6.114 -25.560 1.00 11.20 N ATOM 319 CA LEU A 23 14.038 -6.176 -26.066 1.00 52.11 C ATOM 320 C LEU A 23 13.699 -5.105 -27.099 1.00 43.41 C ATOM 321 O LEU A 23 12.710 -5.234 -27.827 1.00 53.10 O ATOM 322 CB LEU A 23 13.050 -6.086 -24.896 1.00 21.33 C ATOM 323 CG LEU A 23 12.637 -7.404 -24.210 1.00 0.13 C ATOM 324 CD1 LEU A 23 11.750 -8.218 -25.142 1.00 23.01 C ATOM 325 CD2 LEU A 23 13.806 -8.278 -23.739 1.00 20.11 C ATOM 0 H LEU A 23 15.528 -5.547 -24.720 1.00 11.20 H new ATOM 0 HA LEU A 23 13.953 -7.133 -26.580 1.00 52.11 H new ATOM 0 HB2 LEU A 23 13.485 -5.434 -24.138 1.00 21.33 H new ATOM 0 HB3 LEU A 23 12.145 -5.597 -25.257 1.00 21.33 H new ATOM 0 HG LEU A 23 12.100 -7.104 -23.310 1.00 0.13 H new ATOM 0 HD11 LEU A 23 11.462 -9.147 -24.651 1.00 23.01 H new ATOM 0 HD12 LEU A 23 10.856 -7.645 -25.386 1.00 23.01 H new ATOM 0 HD13 LEU A 23 12.296 -8.445 -26.057 1.00 23.01 H new ATOM 0 HD21 LEU A 23 13.418 -9.182 -23.270 1.00 20.11 H new ATOM 0 HD22 LEU A 23 14.425 -8.550 -24.594 1.00 20.11 H new ATOM 0 HD23 LEU A 23 14.407 -7.724 -23.018 1.00 20.11 H new ATOM 337 N GLY A 24 14.519 -4.069 -27.203 1.00 51.12 N ATOM 338 CA GLY A 24 14.303 -3.034 -28.229 1.00 72.30 C ATOM 339 C GLY A 24 13.146 -2.124 -27.957 1.00 14.45 C ATOM 340 O GLY A 24 12.464 -1.653 -28.838 1.00 4.55 O ATOM 0 H GLY A 24 15.330 -3.915 -26.604 1.00 51.12 H new ATOM 0 HA2 GLY A 24 15.208 -2.434 -28.318 1.00 72.30 H new ATOM 0 HA3 GLY A 24 14.148 -3.521 -29.192 1.00 72.30 H new ATOM 344 N VAL A 25 12.883 -1.889 -26.674 1.00 14.40 N ATOM 345 CA VAL A 25 11.720 -1.064 -26.267 1.00 11.20 C ATOM 346 C VAL A 25 12.056 0.352 -25.888 1.00 12.11 C ATOM 347 O VAL A 25 13.178 0.683 -25.490 1.00 43.53 O ATOM 348 CB VAL A 25 10.912 -1.614 -25.147 1.00 51.43 C ATOM 349 CG1 VAL A 25 10.295 -2.935 -25.486 1.00 11.44 C ATOM 350 CG2 VAL A 25 11.759 -1.814 -23.906 1.00 51.43 C ATOM 0 H VAL A 25 13.442 -2.246 -25.900 1.00 14.40 H new ATOM 0 HA VAL A 25 11.136 -1.083 -27.187 1.00 11.20 H new ATOM 0 HB VAL A 25 10.127 -0.881 -24.964 1.00 51.43 H new ATOM 0 HG11 VAL A 25 9.715 -3.295 -24.636 1.00 11.44 H new ATOM 0 HG12 VAL A 25 9.640 -2.820 -26.349 1.00 11.44 H new ATOM 0 HG13 VAL A 25 11.080 -3.654 -25.720 1.00 11.44 H new ATOM 0 HG21 VAL A 25 11.140 -2.217 -23.104 1.00 51.43 H new ATOM 0 HG22 VAL A 25 12.568 -2.511 -24.126 1.00 51.43 H new ATOM 0 HG23 VAL A 25 12.179 -0.858 -23.594 1.00 51.43 H new ATOM 360 N GLU A 26 11.046 1.146 -25.903 1.00 73.31 N ATOM 361 CA GLU A 26 11.077 2.527 -25.501 1.00 54.53 C ATOM 362 C GLU A 26 11.266 2.697 -23.985 1.00 13.02 C ATOM 363 O GLU A 26 11.849 3.682 -23.553 1.00 3.30 O ATOM 364 CB GLU A 26 9.726 3.135 -25.978 1.00 0.43 C ATOM 365 CG GLU A 26 8.519 2.581 -25.223 1.00 4.24 C ATOM 366 CD GLU A 26 7.219 3.266 -25.581 1.00 70.11 C ATOM 367 OE1 GLU A 26 7.225 4.498 -25.536 1.00 24.22 O ATOM 368 OE2 GLU A 26 6.151 2.608 -25.695 1.00 42.21 O ATOM 0 H GLU A 26 10.121 0.844 -26.211 1.00 73.31 H new ATOM 0 HA GLU A 26 11.931 3.038 -25.947 1.00 54.53 H new ATOM 0 HB2 GLU A 26 9.758 4.218 -25.855 1.00 0.43 H new ATOM 0 HB3 GLU A 26 9.602 2.939 -27.043 1.00 0.43 H new ATOM 0 HG2 GLU A 26 8.428 1.515 -25.431 1.00 4.24 H new ATOM 0 HG3 GLU A 26 8.692 2.683 -24.152 1.00 4.24 H new ATOM 375 N ARG A 27 10.790 1.728 -23.203 1.00 0.05 N ATOM 376 CA ARG A 27 10.873 1.775 -21.746 1.00 22.35 C ATOM 377 C ARG A 27 10.484 0.421 -21.183 1.00 31.32 C ATOM 378 O ARG A 27 9.589 -0.231 -21.710 1.00 0.43 O ATOM 379 CB ARG A 27 9.936 2.853 -21.182 1.00 14.34 C ATOM 380 CG ARG A 27 10.237 3.206 -19.727 1.00 12.52 C ATOM 381 CD ARG A 27 9.348 4.350 -19.251 1.00 14.20 C ATOM 382 NE ARG A 27 9.790 4.864 -17.944 1.00 21.30 N ATOM 383 CZ ARG A 27 9.410 4.402 -16.754 1.00 74.02 C ATOM 384 NH1 ARG A 27 8.574 3.413 -16.606 1.00 71.13 N ATOM 385 NH2 ARG A 27 9.879 4.956 -15.670 1.00 42.34 N ATOM 0 H ARG A 27 10.336 0.889 -23.563 1.00 0.05 H new ATOM 0 HA ARG A 27 11.895 2.021 -21.459 1.00 22.35 H new ATOM 0 HB2 ARG A 27 10.018 3.752 -21.792 1.00 14.34 H new ATOM 0 HB3 ARG A 27 8.905 2.507 -21.260 1.00 14.34 H new ATOM 0 HG2 ARG A 27 10.080 2.331 -19.096 1.00 12.52 H new ATOM 0 HG3 ARG A 27 11.285 3.488 -19.626 1.00 12.52 H new ATOM 0 HD2 ARG A 27 9.364 5.156 -19.985 1.00 14.20 H new ATOM 0 HD3 ARG A 27 8.316 4.006 -19.179 1.00 14.20 H new ATOM 0 HE ARG A 27 10.447 5.645 -17.950 1.00 21.30 H new ATOM 0 HH11 ARG A 27 8.177 2.954 -17.426 1.00 71.13 H new ATOM 0 HH12 ARG A 27 8.317 3.099 -15.670 1.00 71.13 H new ATOM 0 HH21 ARG A 27 10.532 5.737 -15.738 1.00 42.34 H new ATOM 0 HH22 ARG A 27 9.593 4.608 -14.755 1.00 42.34 H new ATOM 399 N VAL A 28 11.085 0.066 -20.060 1.00 32.33 N ATOM 400 CA VAL A 28 10.710 -1.117 -19.286 1.00 22.23 C ATOM 401 C VAL A 28 10.360 -0.547 -17.907 1.00 72.11 C ATOM 402 O VAL A 28 10.954 0.446 -17.480 1.00 41.43 O ATOM 403 CB VAL A 28 11.908 -2.138 -19.196 1.00 45.41 C ATOM 404 CG1 VAL A 28 11.622 -3.286 -18.255 1.00 22.44 C ATOM 405 CG2 VAL A 28 12.201 -2.695 -20.566 1.00 73.41 C ATOM 0 H VAL A 28 11.856 0.594 -19.651 1.00 32.33 H new ATOM 0 HA VAL A 28 9.887 -1.674 -19.733 1.00 22.23 H new ATOM 0 HB VAL A 28 12.766 -1.591 -18.806 1.00 45.41 H new ATOM 0 HG11 VAL A 28 12.479 -3.959 -18.231 1.00 22.44 H new ATOM 0 HG12 VAL A 28 11.437 -2.898 -17.253 1.00 22.44 H new ATOM 0 HG13 VAL A 28 10.743 -3.830 -18.601 1.00 22.44 H new ATOM 0 HG21 VAL A 28 13.029 -3.401 -20.502 1.00 73.41 H new ATOM 0 HG22 VAL A 28 11.317 -3.206 -20.948 1.00 73.41 H new ATOM 0 HG23 VAL A 28 12.469 -1.881 -21.240 1.00 73.41 H new ATOM 415 N GLY A 29 9.388 -1.128 -17.228 1.00 23.14 N ATOM 416 CA GLY A 29 9.101 -0.759 -15.852 1.00 62.04 C ATOM 417 C GLY A 29 9.842 -1.755 -14.980 1.00 32.13 C ATOM 418 O GLY A 29 10.107 -2.870 -15.395 1.00 62.01 O ATOM 0 H GLY A 29 8.783 -1.857 -17.606 1.00 23.14 H new ATOM 0 HA2 GLY A 29 9.431 0.259 -15.646 1.00 62.04 H new ATOM 0 HA3 GLY A 29 8.029 -0.793 -15.656 1.00 62.04 H new ATOM 422 N VAL A 30 10.182 -1.385 -13.759 1.00 0.21 N ATOM 423 CA VAL A 30 10.939 -2.299 -12.892 1.00 1.32 C ATOM 424 C VAL A 30 10.133 -3.500 -12.417 1.00 71.12 C ATOM 425 O VAL A 30 10.690 -4.409 -11.816 1.00 72.23 O ATOM 426 CB VAL A 30 11.567 -1.585 -11.692 1.00 34.43 C ATOM 427 CG1 VAL A 30 12.589 -0.582 -12.191 1.00 63.22 C ATOM 428 CG2 VAL A 30 10.515 -0.852 -10.824 1.00 5.31 C ATOM 0 H VAL A 30 9.957 -0.481 -13.343 1.00 0.21 H new ATOM 0 HA VAL A 30 11.739 -2.676 -13.530 1.00 1.32 H new ATOM 0 HB VAL A 30 12.038 -2.343 -11.066 1.00 34.43 H new ATOM 0 HG11 VAL A 30 13.041 -0.069 -11.342 1.00 63.22 H new ATOM 0 HG12 VAL A 30 13.364 -1.102 -12.755 1.00 63.22 H new ATOM 0 HG13 VAL A 30 12.098 0.147 -12.836 1.00 63.22 H new ATOM 0 HG21 VAL A 30 11.012 -0.362 -9.987 1.00 5.31 H new ATOM 0 HG22 VAL A 30 10.001 -0.105 -11.429 1.00 5.31 H new ATOM 0 HG23 VAL A 30 9.790 -1.573 -10.445 1.00 5.31 H new ATOM 438 N ASP A 31 8.839 -3.520 -12.718 1.00 31.41 N ATOM 439 CA ASP A 31 7.959 -4.633 -12.336 1.00 41.21 C ATOM 440 C ASP A 31 7.530 -5.432 -13.574 1.00 5.55 C ATOM 441 O ASP A 31 6.680 -6.306 -13.508 1.00 0.54 O ATOM 442 CB ASP A 31 6.728 -4.085 -11.617 1.00 25.11 C ATOM 443 CG ASP A 31 6.482 -4.762 -10.269 1.00 14.42 C ATOM 444 OD1 ASP A 31 7.072 -5.827 -9.992 1.00 70.11 O ATOM 445 OD2 ASP A 31 5.765 -4.153 -9.438 1.00 11.43 O ATOM 0 H ASP A 31 8.368 -2.774 -13.230 1.00 31.41 H new ATOM 0 HA ASP A 31 8.504 -5.300 -11.668 1.00 41.21 H new ATOM 0 HB2 ASP A 31 6.849 -3.013 -11.464 1.00 25.11 H new ATOM 0 HB3 ASP A 31 5.852 -4.219 -12.252 1.00 25.11 H new ATOM 450 N ASP A 32 8.138 -5.126 -14.715 1.00 63.40 N ATOM 451 CA ASP A 32 7.832 -5.805 -15.967 1.00 21.05 C ATOM 452 C ASP A 32 8.588 -7.112 -15.969 1.00 42.44 C ATOM 453 O ASP A 32 9.822 -7.139 -15.851 1.00 70.23 O ATOM 454 CB ASP A 32 8.285 -4.991 -17.188 1.00 32.51 C ATOM 455 CG ASP A 32 7.535 -3.671 -17.362 1.00 23.11 C ATOM 456 OD1 ASP A 32 6.886 -3.169 -16.410 1.00 43.42 O ATOM 457 OD2 ASP A 32 7.737 -3.045 -18.428 1.00 32.43 O ATOM 0 H ASP A 32 8.853 -4.404 -14.797 1.00 63.40 H new ATOM 0 HA ASP A 32 6.753 -5.945 -16.035 1.00 21.05 H new ATOM 0 HB2 ASP A 32 9.351 -4.783 -17.099 1.00 32.51 H new ATOM 0 HB3 ASP A 32 8.152 -5.595 -18.085 1.00 32.51 H new ATOM 462 N ALA A 33 7.867 -8.210 -16.091 1.00 62.42 N ATOM 463 CA ALA A 33 8.503 -9.503 -16.136 1.00 51.43 C ATOM 464 C ALA A 33 9.161 -9.649 -17.506 1.00 73.34 C ATOM 465 O ALA A 33 8.626 -9.181 -18.502 1.00 32.12 O ATOM 466 CB ALA A 33 7.461 -10.586 -15.900 1.00 70.53 C ATOM 0 H ALA A 33 6.849 -8.229 -16.160 1.00 62.42 H new ATOM 0 HA ALA A 33 9.262 -9.601 -15.360 1.00 51.43 H new ATOM 0 HB1 ALA A 33 7.939 -11.565 -15.934 1.00 70.53 H new ATOM 0 HB2 ALA A 33 7.000 -10.441 -14.923 1.00 70.53 H new ATOM 0 HB3 ALA A 33 6.696 -10.530 -16.674 1.00 70.53 H new ATOM 472 N PHE A 34 10.282 -10.351 -17.571 1.00 4.40 N ATOM 473 CA PHE A 34 10.975 -10.564 -18.839 1.00 74.24 C ATOM 474 C PHE A 34 10.063 -11.226 -19.883 1.00 70.10 C ATOM 475 O PHE A 34 10.131 -10.920 -21.066 1.00 31.33 O ATOM 476 CB PHE A 34 12.227 -11.413 -18.596 1.00 55.25 C ATOM 477 CG PHE A 34 13.196 -11.401 -19.750 1.00 64.42 C ATOM 478 CD1 PHE A 34 14.079 -10.313 -19.923 1.00 22.22 C ATOM 479 CD2 PHE A 34 13.248 -12.468 -20.664 1.00 71.23 C ATOM 480 CE1 PHE A 34 15.008 -10.294 -20.990 1.00 61.22 C ATOM 481 CE2 PHE A 34 14.171 -12.463 -21.729 1.00 33.54 C ATOM 482 CZ PHE A 34 15.059 -11.373 -21.890 1.00 63.55 C ATOM 0 H PHE A 34 10.733 -10.783 -16.765 1.00 4.40 H new ATOM 0 HA PHE A 34 11.265 -9.593 -19.241 1.00 74.24 H new ATOM 0 HB2 PHE A 34 12.734 -11.050 -17.702 1.00 55.25 H new ATOM 0 HB3 PHE A 34 11.926 -12.441 -18.396 1.00 55.25 H new ATOM 0 HD1 PHE A 34 14.045 -9.484 -19.232 1.00 22.22 H new ATOM 0 HD2 PHE A 34 12.572 -13.302 -20.548 1.00 71.23 H new ATOM 0 HE1 PHE A 34 15.675 -9.454 -21.113 1.00 61.22 H new ATOM 0 HE2 PHE A 34 14.201 -13.291 -22.422 1.00 33.54 H new ATOM 0 HZ PHE A 34 15.773 -11.370 -22.701 1.00 63.55 H new ATOM 492 N HIS A 35 9.175 -12.097 -19.427 1.00 33.25 N ATOM 493 CA HIS A 35 8.208 -12.746 -20.318 1.00 43.43 C ATOM 494 C HIS A 35 7.043 -11.834 -20.721 1.00 14.24 C ATOM 495 O HIS A 35 6.423 -12.072 -21.741 1.00 54.12 O ATOM 496 CB HIS A 35 7.626 -14.004 -19.668 1.00 42.51 C ATOM 497 CG HIS A 35 8.456 -15.232 -19.877 1.00 44.42 C ATOM 498 ND1 HIS A 35 8.950 -16.017 -18.864 1.00 43.32 N ATOM 499 CD2 HIS A 35 8.864 -15.842 -21.027 1.00 1.20 C ATOM 500 CE1 HIS A 35 9.615 -17.030 -19.410 1.00 31.54 C ATOM 501 NE2 HIS A 35 9.601 -16.974 -20.726 1.00 51.03 N ATOM 0 H HIS A 35 9.099 -12.374 -18.448 1.00 33.25 H new ATOM 0 HA HIS A 35 8.770 -12.998 -21.217 1.00 43.43 H new ATOM 0 HB2 HIS A 35 7.515 -13.830 -18.598 1.00 42.51 H new ATOM 0 HB3 HIS A 35 6.627 -14.179 -20.068 1.00 42.51 H new ATOM 0 HD2 HIS A 35 8.644 -15.493 -22.025 1.00 1.20 H new ATOM 0 HE1 HIS A 35 10.108 -17.806 -18.843 1.00 31.54 H new ATOM 0 HE2 HIS A 35 10.038 -17.623 -21.380 1.00 51.03 H new ATOM 509 N ASP A 36 6.743 -10.799 -19.940 1.00 72.22 N ATOM 510 CA ASP A 36 5.623 -9.902 -20.263 1.00 60.44 C ATOM 511 C ASP A 36 6.028 -9.042 -21.451 1.00 55.21 C ATOM 512 O ASP A 36 5.228 -8.689 -22.304 1.00 70.00 O ATOM 513 CB ASP A 36 5.301 -9.014 -19.061 1.00 12.14 C ATOM 514 CG ASP A 36 3.974 -8.300 -19.205 1.00 71.25 C ATOM 515 OD1 ASP A 36 2.966 -8.977 -19.498 1.00 10.54 O ATOM 516 OD2 ASP A 36 3.925 -7.084 -18.934 1.00 23.02 O ATOM 0 H ASP A 36 7.249 -10.558 -19.088 1.00 72.22 H new ATOM 0 HA ASP A 36 4.735 -10.485 -20.508 1.00 60.44 H new ATOM 0 HB2 ASP A 36 5.286 -9.623 -18.157 1.00 12.14 H new ATOM 0 HB3 ASP A 36 6.094 -8.277 -18.935 1.00 12.14 H new ATOM 521 N LEU A 37 7.326 -8.788 -21.530 1.00 71.02 N ATOM 522 CA LEU A 37 7.917 -8.053 -22.643 1.00 44.14 C ATOM 523 C LEU A 37 8.047 -8.941 -23.884 1.00 43.24 C ATOM 524 O LEU A 37 8.511 -8.495 -24.929 1.00 30.51 O ATOM 525 CB LEU A 37 9.310 -7.556 -22.235 1.00 3.21 C ATOM 526 CG LEU A 37 9.384 -6.602 -21.029 1.00 50.22 C ATOM 527 CD1 LEU A 37 10.830 -6.477 -20.560 1.00 62.41 C ATOM 528 CD2 LEU A 37 8.836 -5.225 -21.396 1.00 2.20 C ATOM 0 H LEU A 37 8.001 -9.085 -20.825 1.00 71.02 H new ATOM 0 HA LEU A 37 7.267 -7.212 -22.885 1.00 44.14 H new ATOM 0 HB2 LEU A 37 9.930 -8.426 -22.018 1.00 3.21 H new ATOM 0 HB3 LEU A 37 9.755 -7.053 -23.093 1.00 3.21 H new ATOM 0 HG LEU A 37 8.775 -7.012 -20.223 1.00 50.22 H new ATOM 0 HD11 LEU A 37 10.878 -5.801 -19.706 1.00 62.41 H new ATOM 0 HD12 LEU A 37 11.204 -7.458 -20.268 1.00 62.41 H new ATOM 0 HD13 LEU A 37 11.443 -6.082 -21.371 1.00 62.41 H new ATOM 0 HD21 LEU A 37 8.897 -4.566 -20.530 1.00 2.20 H new ATOM 0 HD22 LEU A 37 9.423 -4.806 -22.213 1.00 2.20 H new ATOM 0 HD23 LEU A 37 7.796 -5.319 -21.707 1.00 2.20 H new ATOM 540 N GLY A 38 7.670 -10.207 -23.761 1.00 2.34 N ATOM 541 CA GLY A 38 7.805 -11.147 -24.865 1.00 54.12 C ATOM 542 C GLY A 38 9.197 -11.720 -25.007 1.00 22.31 C ATOM 543 O GLY A 38 9.563 -12.272 -26.030 1.00 41.53 O ATOM 0 H GLY A 38 7.270 -10.605 -22.911 1.00 2.34 H new ATOM 0 HA2 GLY A 38 7.098 -11.964 -24.724 1.00 54.12 H new ATOM 0 HA3 GLY A 38 7.531 -10.646 -25.793 1.00 54.12 H new ATOM 547 N GLY A 39 9.997 -11.576 -23.960 1.00 52.32 N ATOM 548 CA GLY A 39 11.366 -12.082 -23.994 1.00 51.45 C ATOM 549 C GLY A 39 11.383 -13.588 -24.120 1.00 62.03 C ATOM 550 O GLY A 39 10.645 -14.297 -23.436 1.00 73.45 O ATOM 0 H GLY A 39 9.729 -11.120 -23.088 1.00 52.32 H new ATOM 0 HA2 GLY A 39 11.901 -11.637 -24.833 1.00 51.45 H new ATOM 0 HA3 GLY A 39 11.891 -11.783 -23.086 1.00 51.45 H new ATOM 554 N SER A 40 12.244 -14.078 -25.001 1.00 11.02 N ATOM 555 CA SER A 40 12.338 -15.503 -25.283 1.00 53.42 C ATOM 556 C SER A 40 13.395 -16.132 -24.397 1.00 11.32 C ATOM 557 O SER A 40 14.291 -15.445 -23.917 1.00 14.44 O ATOM 558 CB SER A 40 12.714 -15.686 -26.755 1.00 52.51 C ATOM 559 OG SER A 40 11.699 -15.167 -27.592 1.00 14.13 O ATOM 0 H SER A 40 12.893 -13.503 -25.537 1.00 11.02 H new ATOM 0 HA SER A 40 11.382 -15.987 -25.083 1.00 53.42 H new ATOM 0 HB2 SER A 40 13.658 -15.181 -26.961 1.00 52.51 H new ATOM 0 HB3 SER A 40 12.865 -16.744 -26.969 1.00 52.51 H new ATOM 0 HG SER A 40 11.954 -15.290 -28.530 1.00 14.13 H new ATOM 565 N SER A 41 13.346 -17.445 -24.241 1.00 61.31 N ATOM 566 CA SER A 41 14.364 -18.163 -23.463 1.00 0.11 C ATOM 567 C SER A 41 15.777 -17.874 -23.998 1.00 31.40 C ATOM 568 O SER A 41 16.721 -17.710 -23.233 1.00 30.41 O ATOM 569 CB SER A 41 14.092 -19.670 -23.504 1.00 62.32 C ATOM 570 OG SER A 41 15.039 -20.386 -22.729 1.00 51.24 O ATOM 0 H SER A 41 12.619 -18.040 -24.638 1.00 61.31 H new ATOM 0 HA SER A 41 14.309 -17.813 -22.432 1.00 0.11 H new ATOM 0 HB2 SER A 41 13.088 -19.871 -23.131 1.00 62.32 H new ATOM 0 HB3 SER A 41 14.125 -20.020 -24.536 1.00 62.32 H new ATOM 0 HG SER A 41 14.840 -21.345 -22.773 1.00 51.24 H new ATOM 576 N ALA A 42 15.903 -17.755 -25.314 1.00 53.23 N ATOM 577 CA ALA A 42 17.187 -17.447 -25.938 1.00 11.03 C ATOM 578 C ALA A 42 17.703 -16.066 -25.505 1.00 33.11 C ATOM 579 O ALA A 42 18.890 -15.879 -25.271 1.00 55.42 O ATOM 580 CB ALA A 42 17.049 -17.513 -27.467 1.00 24.33 C ATOM 0 H ALA A 42 15.132 -17.867 -25.972 1.00 53.23 H new ATOM 0 HA ALA A 42 17.915 -18.189 -25.609 1.00 11.03 H new ATOM 0 HB1 ALA A 42 18.009 -17.283 -27.929 1.00 24.33 H new ATOM 0 HB2 ALA A 42 16.736 -18.515 -27.761 1.00 24.33 H new ATOM 0 HB3 ALA A 42 16.304 -16.788 -27.797 1.00 24.33 H new ATOM 586 N LEU A 43 16.793 -15.106 -25.389 1.00 22.03 N ATOM 587 CA LEU A 43 17.133 -13.741 -24.987 1.00 43.33 C ATOM 588 C LEU A 43 17.545 -13.725 -23.521 1.00 21.31 C ATOM 589 O LEU A 43 18.420 -12.988 -23.108 1.00 41.10 O ATOM 590 CB LEU A 43 15.954 -12.808 -25.132 1.00 12.24 C ATOM 591 CG LEU A 43 15.254 -12.648 -26.488 1.00 65.13 C ATOM 592 CD1 LEU A 43 14.348 -11.449 -26.449 1.00 44.43 C ATOM 593 CD2 LEU A 43 16.178 -12.590 -27.655 1.00 31.11 C ATOM 0 H LEU A 43 15.799 -15.249 -25.570 1.00 22.03 H new ATOM 0 HA LEU A 43 17.944 -13.408 -25.634 1.00 43.33 H new ATOM 0 HB2 LEU A 43 15.198 -13.129 -24.415 1.00 12.24 H new ATOM 0 HB3 LEU A 43 16.287 -11.817 -24.822 1.00 12.24 H new ATOM 0 HG LEU A 43 14.668 -13.554 -26.644 1.00 65.13 H new ATOM 0 HD11 LEU A 43 13.852 -11.337 -27.413 1.00 44.43 H new ATOM 0 HD12 LEU A 43 13.599 -11.584 -25.669 1.00 44.43 H new ATOM 0 HD13 LEU A 43 14.936 -10.556 -26.237 1.00 44.43 H new ATOM 0 HD21 LEU A 43 15.600 -12.476 -28.572 1.00 31.11 H new ATOM 0 HD22 LEU A 43 16.852 -11.741 -27.544 1.00 31.11 H new ATOM 0 HD23 LEU A 43 16.760 -13.511 -27.705 1.00 31.11 H new ATOM 605 N ALA A 44 16.856 -14.552 -22.747 1.00 51.42 N ATOM 606 CA ALA A 44 17.088 -14.636 -21.300 1.00 4.43 C ATOM 607 C ALA A 44 18.553 -15.076 -21.051 1.00 1.24 C ATOM 608 O ALA A 44 19.197 -14.582 -20.169 1.00 31.51 O ATOM 609 CB ALA A 44 16.074 -15.593 -20.674 1.00 25.13 C ATOM 0 H ALA A 44 16.129 -15.178 -23.092 1.00 51.42 H new ATOM 0 HA ALA A 44 16.947 -13.664 -20.827 1.00 4.43 H new ATOM 0 HB1 ALA A 44 16.247 -15.655 -19.600 1.00 25.13 H new ATOM 0 HB2 ALA A 44 15.065 -15.225 -20.858 1.00 25.13 H new ATOM 0 HB3 ALA A 44 16.186 -16.583 -21.117 1.00 25.13 H new ATOM 615 N MET A 45 19.041 -15.983 -21.879 1.00 43.35 N ATOM 616 CA MET A 45 20.430 -16.421 -21.788 1.00 15.52 C ATOM 617 C MET A 45 21.407 -15.272 -22.107 1.00 34.22 C ATOM 618 O MET A 45 22.502 -15.195 -21.521 1.00 72.44 O ATOM 619 CB MET A 45 20.706 -17.565 -22.759 1.00 24.10 C ATOM 620 CG MET A 45 19.887 -18.817 -22.462 1.00 64.05 C ATOM 621 SD MET A 45 20.113 -20.007 -23.780 1.00 53.54 S ATOM 622 CE MET A 45 18.759 -21.143 -23.462 1.00 41.44 C ATOM 0 H MET A 45 18.502 -16.431 -22.620 1.00 43.35 H new ATOM 0 HA MET A 45 20.585 -16.756 -20.762 1.00 15.52 H new ATOM 0 HB2 MET A 45 20.492 -17.231 -23.774 1.00 24.10 H new ATOM 0 HB3 MET A 45 21.766 -17.815 -22.723 1.00 24.10 H new ATOM 0 HG2 MET A 45 20.197 -19.249 -21.511 1.00 64.05 H new ATOM 0 HG3 MET A 45 18.832 -18.560 -22.367 1.00 64.05 H new ATOM 0 HE1 MET A 45 18.771 -21.940 -24.205 1.00 41.44 H new ATOM 0 HE2 MET A 45 18.871 -21.573 -22.467 1.00 41.44 H new ATOM 0 HE3 MET A 45 17.812 -20.606 -23.521 1.00 41.44 H new ATOM 632 N ARG A 46 21.018 -14.366 -23.006 1.00 2.21 N ATOM 633 CA ARG A 46 21.890 -13.227 -23.350 1.00 0.22 C ATOM 634 C ARG A 46 21.912 -12.256 -22.194 1.00 42.13 C ATOM 635 O ARG A 46 22.941 -11.668 -21.912 1.00 11.54 O ATOM 636 CB ARG A 46 21.362 -12.497 -24.603 1.00 74.01 C ATOM 637 CG ARG A 46 21.225 -13.346 -25.862 1.00 75.22 C ATOM 638 CD ARG A 46 22.549 -13.993 -26.278 1.00 53.34 C ATOM 639 NE ARG A 46 22.457 -14.606 -27.617 1.00 35.32 N ATOM 640 CZ ARG A 46 22.001 -15.828 -27.877 1.00 11.20 C ATOM 641 NH1 ARG A 46 21.541 -16.626 -26.944 1.00 42.21 N ATOM 642 NH2 ARG A 46 22.004 -16.253 -29.109 1.00 41.25 N ATOM 0 H ARG A 46 20.127 -14.390 -23.502 1.00 2.21 H new ATOM 0 HA ARG A 46 22.893 -13.602 -23.554 1.00 0.22 H new ATOM 0 HB2 ARG A 46 20.386 -12.072 -24.367 1.00 74.01 H new ATOM 0 HB3 ARG A 46 22.029 -11.663 -24.822 1.00 74.01 H new ATOM 0 HG2 ARG A 46 20.481 -14.124 -25.693 1.00 75.22 H new ATOM 0 HG3 ARG A 46 20.856 -12.724 -26.678 1.00 75.22 H new ATOM 0 HD2 ARG A 46 23.339 -13.242 -26.275 1.00 53.34 H new ATOM 0 HD3 ARG A 46 22.829 -14.753 -25.548 1.00 53.34 H new ATOM 0 HE ARG A 46 22.769 -14.045 -28.410 1.00 35.32 H new ATOM 0 HH11 ARG A 46 21.523 -16.317 -25.972 1.00 42.21 H new ATOM 0 HH12 ARG A 46 21.201 -17.556 -27.190 1.00 42.21 H new ATOM 0 HH21 ARG A 46 22.352 -15.651 -29.855 1.00 41.25 H new ATOM 0 HH22 ARG A 46 21.658 -17.187 -29.327 1.00 41.25 H new ATOM 656 N LEU A 47 20.786 -12.118 -21.510 1.00 54.11 N ATOM 657 CA LEU A 47 20.695 -11.245 -20.350 1.00 14.20 C ATOM 658 C LEU A 47 21.686 -11.668 -19.253 1.00 52.43 C ATOM 659 O LEU A 47 22.286 -10.817 -18.625 1.00 35.14 O ATOM 660 CB LEU A 47 19.274 -11.270 -19.807 1.00 11.34 C ATOM 661 CG LEU A 47 18.945 -10.376 -18.600 1.00 1.14 C ATOM 662 CD1 LEU A 47 19.101 -8.883 -18.903 1.00 22.50 C ATOM 663 CD2 LEU A 47 17.523 -10.650 -18.182 1.00 41.23 C ATOM 0 H LEU A 47 19.918 -12.602 -21.740 1.00 54.11 H new ATOM 0 HA LEU A 47 20.953 -10.232 -20.660 1.00 14.20 H new ATOM 0 HB2 LEU A 47 18.602 -10.994 -20.619 1.00 11.34 H new ATOM 0 HB3 LEU A 47 19.039 -12.299 -19.534 1.00 11.34 H new ATOM 0 HG LEU A 47 19.652 -10.614 -17.805 1.00 1.14 H new ATOM 0 HD11 LEU A 47 18.855 -8.304 -18.013 1.00 22.50 H new ATOM 0 HD12 LEU A 47 20.130 -8.677 -19.197 1.00 22.50 H new ATOM 0 HD13 LEU A 47 18.429 -8.604 -19.715 1.00 22.50 H new ATOM 0 HD21 LEU A 47 17.269 -10.025 -17.326 1.00 41.23 H new ATOM 0 HD22 LEU A 47 16.850 -10.423 -19.009 1.00 41.23 H new ATOM 0 HD23 LEU A 47 17.420 -11.700 -17.908 1.00 41.23 H new ATOM 675 N ILE A 48 21.909 -12.969 -19.092 1.00 21.44 N ATOM 676 CA ILE A 48 22.823 -13.460 -18.073 1.00 51.51 C ATOM 677 C ILE A 48 24.236 -12.903 -18.368 1.00 2.12 C ATOM 678 O ILE A 48 24.951 -12.365 -17.495 1.00 24.22 O ATOM 679 CB ILE A 48 22.980 -15.031 -18.091 1.00 61.14 C ATOM 680 CG1 ILE A 48 21.600 -15.768 -18.113 1.00 74.42 C ATOM 681 CG2 ILE A 48 23.716 -15.481 -16.872 1.00 13.04 C ATOM 682 CD1 ILE A 48 20.639 -15.409 -16.992 1.00 21.54 C ATOM 0 H ILE A 48 21.469 -13.698 -19.654 1.00 21.44 H new ATOM 0 HA ILE A 48 22.415 -13.144 -17.113 1.00 51.51 H new ATOM 0 HB ILE A 48 23.526 -15.280 -19.001 1.00 61.14 H new ATOM 0 HG12 ILE A 48 21.113 -15.558 -19.065 1.00 74.42 H new ATOM 0 HG13 ILE A 48 21.783 -16.842 -18.079 1.00 74.42 H new ATOM 0 HG21 ILE A 48 23.821 -16.566 -16.890 1.00 13.04 H new ATOM 0 HG22 ILE A 48 24.704 -15.021 -16.853 1.00 13.04 H new ATOM 0 HG23 ILE A 48 23.161 -15.185 -15.982 1.00 13.04 H new ATOM 0 HD11 ILE A 48 19.717 -15.979 -17.107 1.00 21.54 H new ATOM 0 HD12 ILE A 48 21.095 -15.647 -16.031 1.00 21.54 H new ATOM 0 HD13 ILE A 48 20.415 -14.343 -17.032 1.00 21.54 H new ATOM 694 N ALA A 49 24.640 -13.020 -19.632 1.00 44.00 N ATOM 695 CA ALA A 49 25.954 -12.577 -20.037 1.00 64.33 C ATOM 696 C ALA A 49 26.092 -11.071 -19.933 1.00 34.55 C ATOM 697 O ALA A 49 27.090 -10.554 -19.447 1.00 31.42 O ATOM 698 CB ALA A 49 26.237 -13.040 -21.483 1.00 23.40 C ATOM 0 H ALA A 49 24.074 -13.416 -20.382 1.00 44.00 H new ATOM 0 HA ALA A 49 26.685 -13.022 -19.362 1.00 64.33 H new ATOM 0 HB1 ALA A 49 27.229 -12.704 -21.785 1.00 23.40 H new ATOM 0 HB2 ALA A 49 26.192 -14.128 -21.532 1.00 23.40 H new ATOM 0 HB3 ALA A 49 25.490 -12.615 -22.154 1.00 23.40 H new ATOM 704 N ARG A 50 25.082 -10.349 -20.411 1.00 14.00 N ATOM 705 CA ARG A 50 25.136 -8.890 -20.443 1.00 43.42 C ATOM 706 C ARG A 50 25.098 -8.294 -19.036 1.00 50.44 C ATOM 707 O ARG A 50 25.790 -7.337 -18.762 1.00 1.52 O ATOM 708 CB ARG A 50 23.987 -8.356 -21.302 1.00 55.04 C ATOM 709 CG ARG A 50 24.075 -8.731 -22.780 1.00 44.25 C ATOM 710 CD ARG A 50 24.637 -7.584 -23.633 1.00 2.41 C ATOM 711 NE ARG A 50 26.058 -7.302 -23.357 1.00 54.43 N ATOM 712 CZ ARG A 50 26.545 -6.152 -22.899 1.00 2.32 C ATOM 713 NH1 ARG A 50 25.792 -5.113 -22.644 1.00 1.34 N ATOM 714 NH2 ARG A 50 27.823 -6.034 -22.682 1.00 4.51 N ATOM 0 H ARG A 50 24.219 -10.748 -20.780 1.00 14.00 H new ATOM 0 HA ARG A 50 26.084 -8.586 -20.888 1.00 43.42 H new ATOM 0 HB2 ARG A 50 23.045 -8.730 -20.900 1.00 55.04 H new ATOM 0 HB3 ARG A 50 23.961 -7.270 -21.217 1.00 55.04 H new ATOM 0 HG2 ARG A 50 24.708 -9.611 -22.894 1.00 44.25 H new ATOM 0 HG3 ARG A 50 23.084 -9.002 -23.145 1.00 44.25 H new ATOM 0 HD2 ARG A 50 24.520 -7.832 -24.688 1.00 2.41 H new ATOM 0 HD3 ARG A 50 24.052 -6.683 -23.451 1.00 2.41 H new ATOM 0 HE ARG A 50 26.725 -8.054 -23.532 1.00 54.43 H new ATOM 0 HH11 ARG A 50 24.785 -5.164 -22.795 1.00 1.34 H new ATOM 0 HH12 ARG A 50 26.212 -4.252 -22.294 1.00 1.34 H new ATOM 0 HH21 ARG A 50 28.446 -6.821 -22.863 1.00 4.51 H new ATOM 0 HH22 ARG A 50 28.202 -5.154 -22.331 1.00 4.51 H new ATOM 728 N ILE A 51 24.357 -8.920 -18.127 1.00 44.01 N ATOM 729 CA ILE A 51 24.378 -8.475 -16.730 1.00 12.20 C ATOM 730 C ILE A 51 25.790 -8.657 -16.177 1.00 61.22 C ATOM 731 O ILE A 51 26.312 -7.780 -15.494 1.00 64.21 O ATOM 732 CB ILE A 51 23.330 -9.260 -15.862 1.00 32.31 C ATOM 733 CG1 ILE A 51 21.930 -8.657 -16.083 1.00 2.51 C ATOM 734 CG2 ILE A 51 23.704 -9.220 -14.357 1.00 44.40 C ATOM 735 CD1 ILE A 51 20.767 -9.449 -15.432 1.00 54.44 C ATOM 0 H ILE A 51 23.749 -9.716 -18.320 1.00 44.01 H new ATOM 0 HA ILE A 51 24.100 -7.422 -16.686 1.00 12.20 H new ATOM 0 HB ILE A 51 23.331 -10.304 -16.174 1.00 32.31 H new ATOM 0 HG12 ILE A 51 21.922 -7.640 -15.690 1.00 2.51 H new ATOM 0 HG13 ILE A 51 21.746 -8.586 -17.155 1.00 2.51 H new ATOM 0 HG21 ILE A 51 22.960 -9.772 -13.782 1.00 44.40 H new ATOM 0 HG22 ILE A 51 24.684 -9.675 -14.213 1.00 44.40 H new ATOM 0 HG23 ILE A 51 23.731 -8.185 -14.016 1.00 44.40 H new ATOM 0 HD11 ILE A 51 19.823 -8.947 -15.642 1.00 54.44 H new ATOM 0 HD12 ILE A 51 20.740 -10.459 -15.841 1.00 54.44 H new ATOM 0 HD13 ILE A 51 20.919 -9.499 -14.354 1.00 54.44 H new ATOM 747 N ARG A 52 26.441 -9.773 -16.484 1.00 72.21 N ATOM 748 CA ARG A 52 27.791 -10.014 -15.972 1.00 22.54 C ATOM 749 C ARG A 52 28.790 -9.027 -16.568 1.00 13.14 C ATOM 750 O ARG A 52 29.739 -8.623 -15.905 1.00 53.30 O ATOM 751 CB ARG A 52 28.224 -11.463 -16.238 1.00 23.24 C ATOM 752 CG ARG A 52 29.203 -12.030 -15.181 1.00 20.31 C ATOM 753 CD ARG A 52 30.688 -11.733 -15.443 1.00 11.43 C ATOM 754 NE ARG A 52 31.151 -12.257 -16.739 1.00 5.14 N ATOM 755 CZ ARG A 52 31.557 -11.515 -17.768 1.00 0.24 C ATOM 756 NH1 ARG A 52 31.611 -10.214 -17.726 1.00 42.42 N ATOM 757 NH2 ARG A 52 31.912 -12.095 -18.876 1.00 64.31 N ATOM 0 H ARG A 52 26.067 -10.516 -17.074 1.00 72.21 H new ATOM 0 HA ARG A 52 27.774 -9.858 -14.893 1.00 22.54 H new ATOM 0 HB2 ARG A 52 27.337 -12.096 -16.274 1.00 23.24 H new ATOM 0 HB3 ARG A 52 28.694 -11.517 -17.220 1.00 23.24 H new ATOM 0 HG2 ARG A 52 28.934 -11.625 -14.205 1.00 20.31 H new ATOM 0 HG3 ARG A 52 29.069 -13.110 -15.126 1.00 20.31 H new ATOM 0 HD2 ARG A 52 30.850 -10.656 -15.412 1.00 11.43 H new ATOM 0 HD3 ARG A 52 31.288 -12.168 -14.644 1.00 11.43 H new ATOM 0 HE ARG A 52 31.162 -13.270 -16.858 1.00 5.14 H new ATOM 0 HH11 ARG A 52 31.335 -9.719 -16.878 1.00 42.42 H new ATOM 0 HH12 ARG A 52 31.929 -9.690 -18.541 1.00 42.42 H new ATOM 0 HH21 ARG A 52 31.878 -13.112 -18.953 1.00 64.31 H new ATOM 0 HH22 ARG A 52 32.224 -11.534 -19.668 1.00 64.31 H new ATOM 771 N GLU A 53 28.558 -8.619 -17.802 1.00 43.10 N ATOM 772 CA GLU A 53 29.435 -7.649 -18.442 1.00 1.44 C ATOM 773 C GLU A 53 29.295 -6.238 -17.881 1.00 12.02 C ATOM 774 O GLU A 53 30.251 -5.525 -17.757 1.00 35.03 O ATOM 775 CB GLU A 53 29.137 -7.601 -19.971 1.00 21.40 C ATOM 776 CG GLU A 53 29.531 -8.862 -20.734 1.00 52.21 C ATOM 777 CD GLU A 53 30.998 -8.891 -21.119 1.00 15.22 C ATOM 778 OE1 GLU A 53 31.371 -8.172 -22.068 1.00 12.43 O ATOM 779 OE2 GLU A 53 31.762 -9.686 -20.524 1.00 43.32 O ATOM 0 H GLU A 53 27.779 -8.938 -18.378 1.00 43.10 H new ATOM 0 HA GLU A 53 30.453 -7.982 -18.242 1.00 1.44 H new ATOM 0 HB2 GLU A 53 28.071 -7.423 -20.115 1.00 21.40 H new ATOM 0 HB3 GLU A 53 29.664 -6.751 -20.404 1.00 21.40 H new ATOM 0 HG2 GLU A 53 29.305 -9.735 -20.122 1.00 52.21 H new ATOM 0 HG3 GLU A 53 28.923 -8.939 -21.636 1.00 52.21 H new ATOM 786 N GLU A 54 28.079 -5.817 -17.627 1.00 71.53 N ATOM 787 CA GLU A 54 27.827 -4.421 -17.231 1.00 24.31 C ATOM 788 C GLU A 54 27.830 -4.160 -15.732 1.00 60.40 C ATOM 789 O GLU A 54 28.073 -3.052 -15.297 1.00 72.14 O ATOM 790 CB GLU A 54 26.456 -3.998 -17.832 1.00 14.34 C ATOM 791 CG GLU A 54 26.342 -4.103 -19.305 1.00 43.44 C ATOM 792 CD GLU A 54 27.255 -3.180 -20.086 1.00 32.33 C ATOM 793 OE1 GLU A 54 27.462 -2.044 -19.663 1.00 4.30 O ATOM 794 OE2 GLU A 54 27.733 -3.609 -21.184 1.00 14.45 O ATOM 0 H GLU A 54 27.245 -6.402 -17.682 1.00 71.53 H new ATOM 0 HA GLU A 54 28.657 -3.830 -17.618 1.00 24.31 H new ATOM 0 HB2 GLU A 54 25.677 -4.612 -17.381 1.00 14.34 H new ATOM 0 HB3 GLU A 54 26.256 -2.966 -17.543 1.00 14.34 H new ATOM 0 HG2 GLU A 54 26.553 -5.131 -19.598 1.00 43.44 H new ATOM 0 HG3 GLU A 54 25.311 -3.896 -19.590 1.00 43.44 H new ATOM 801 N LEU A 55 27.513 -5.182 -14.966 1.00 31.02 N ATOM 802 CA LEU A 55 27.389 -5.055 -13.532 1.00 31.12 C ATOM 803 C LEU A 55 28.494 -5.835 -12.824 1.00 34.22 C ATOM 804 O LEU A 55 28.737 -5.641 -11.637 1.00 2.23 O ATOM 805 CB LEU A 55 26.011 -5.561 -13.057 1.00 4.31 C ATOM 806 CG LEU A 55 24.763 -4.737 -13.368 1.00 24.15 C ATOM 807 CD1 LEU A 55 24.442 -4.537 -14.833 1.00 23.13 C ATOM 808 CD2 LEU A 55 23.579 -5.449 -12.687 1.00 65.33 C ATOM 0 H LEU A 55 27.335 -6.122 -15.320 1.00 31.02 H new ATOM 0 HA LEU A 55 27.484 -3.999 -13.280 1.00 31.12 H new ATOM 0 HB2 LEU A 55 25.862 -6.554 -13.482 1.00 4.31 H new ATOM 0 HB3 LEU A 55 26.062 -5.682 -11.975 1.00 4.31 H new ATOM 0 HG LEU A 55 24.953 -3.731 -12.995 1.00 24.15 H new ATOM 0 HD11 LEU A 55 23.536 -3.938 -14.929 1.00 23.13 H new ATOM 0 HD12 LEU A 55 25.270 -4.023 -15.320 1.00 23.13 H new ATOM 0 HD13 LEU A 55 24.288 -5.506 -15.307 1.00 23.13 H new ATOM 0 HD21 LEU A 55 22.661 -4.895 -12.882 1.00 65.33 H new ATOM 0 HD22 LEU A 55 23.485 -6.459 -13.085 1.00 65.33 H new ATOM 0 HD23 LEU A 55 23.753 -5.497 -11.612 1.00 65.33 H new ATOM 820 N GLY A 56 29.109 -6.771 -13.521 1.00 22.11 N ATOM 821 CA GLY A 56 30.137 -7.603 -12.925 1.00 22.33 C ATOM 822 C GLY A 56 29.628 -8.675 -11.993 1.00 71.31 C ATOM 823 O GLY A 56 30.382 -9.195 -11.188 1.00 1.33 O ATOM 0 H GLY A 56 28.915 -6.975 -14.501 1.00 22.11 H new ATOM 0 HA2 GLY A 56 30.708 -8.078 -13.723 1.00 22.33 H new ATOM 0 HA3 GLY A 56 30.828 -6.963 -12.376 1.00 22.33 H new ATOM 827 N VAL A 57 28.335 -9.042 -12.128 1.00 3.11 N ATOM 828 CA VAL A 57 27.729 -9.939 -11.176 1.00 74.04 C ATOM 829 C VAL A 57 27.148 -11.211 -11.900 1.00 74.35 C ATOM 830 O VAL A 57 26.461 -11.119 -12.967 1.00 31.42 O ATOM 831 CB VAL A 57 26.535 -9.246 -10.401 1.00 62.33 C ATOM 832 CG1 VAL A 57 27.218 -8.115 -9.530 1.00 42.12 C ATOM 833 CG2 VAL A 57 25.497 -8.677 -11.327 1.00 73.02 C ATOM 0 H VAL A 57 27.719 -8.728 -12.878 1.00 3.11 H new ATOM 0 HA VAL A 57 28.513 -10.220 -10.473 1.00 74.04 H new ATOM 0 HB VAL A 57 25.991 -9.967 -9.791 1.00 62.33 H new ATOM 0 HG11 VAL A 57 26.455 -7.585 -8.960 1.00 42.12 H new ATOM 0 HG12 VAL A 57 27.935 -8.567 -8.845 1.00 42.12 H new ATOM 0 HG13 VAL A 57 27.735 -7.413 -10.185 1.00 42.12 H new ATOM 0 HG21 VAL A 57 24.702 -8.214 -10.742 1.00 73.02 H new ATOM 0 HG22 VAL A 57 25.956 -7.928 -11.972 1.00 73.02 H new ATOM 0 HG23 VAL A 57 25.079 -9.476 -11.940 1.00 73.02 H new ATOM 843 N ASP A 58 27.416 -12.350 -11.374 1.00 71.45 N ATOM 844 CA ASP A 58 26.883 -13.653 -11.905 1.00 61.43 C ATOM 845 C ASP A 58 25.555 -13.929 -11.234 1.00 21.00 C ATOM 846 O ASP A 58 25.489 -14.425 -10.109 1.00 32.43 O ATOM 847 CB ASP A 58 27.869 -14.790 -11.596 1.00 71.12 C ATOM 848 CG ASP A 58 28.894 -14.958 -12.676 1.00 43.34 C ATOM 849 OD1 ASP A 58 28.518 -15.197 -13.840 1.00 72.13 O ATOM 850 OD2 ASP A 58 30.093 -14.908 -12.345 1.00 3.33 O ATOM 0 H ASP A 58 28.013 -12.457 -10.554 1.00 71.45 H new ATOM 0 HA ASP A 58 26.755 -13.592 -12.986 1.00 61.43 H new ATOM 0 HB2 ASP A 58 28.370 -14.587 -10.650 1.00 71.12 H new ATOM 0 HB3 ASP A 58 27.318 -15.722 -11.471 1.00 71.12 H new ATOM 855 N LEU A 59 24.479 -13.632 -11.950 1.00 63.40 N ATOM 856 CA LEU A 59 23.121 -13.911 -11.449 1.00 13.50 C ATOM 857 C LEU A 59 22.562 -15.080 -12.285 1.00 60.40 C ATOM 858 O LEU A 59 22.337 -14.939 -13.491 1.00 12.25 O ATOM 859 CB LEU A 59 22.239 -12.659 -11.569 1.00 45.21 C ATOM 860 CG LEU A 59 20.908 -12.587 -10.797 1.00 21.11 C ATOM 861 CD1 LEU A 59 19.854 -13.552 -11.337 1.00 11.34 C ATOM 862 CD2 LEU A 59 21.106 -12.838 -9.292 1.00 22.11 C ATOM 0 H LEU A 59 24.509 -13.201 -12.874 1.00 63.40 H new ATOM 0 HA LEU A 59 23.138 -14.182 -10.393 1.00 13.50 H new ATOM 0 HB2 LEU A 59 22.842 -11.805 -11.260 1.00 45.21 H new ATOM 0 HB3 LEU A 59 22.010 -12.522 -12.626 1.00 45.21 H new ATOM 0 HG LEU A 59 20.542 -11.571 -10.946 1.00 21.11 H new ATOM 0 HD11 LEU A 59 18.939 -13.455 -10.753 1.00 11.34 H new ATOM 0 HD12 LEU A 59 19.645 -13.316 -12.380 1.00 11.34 H new ATOM 0 HD13 LEU A 59 20.225 -14.574 -11.263 1.00 11.34 H new ATOM 0 HD21 LEU A 59 20.144 -12.779 -8.784 1.00 22.11 H new ATOM 0 HD22 LEU A 59 21.535 -13.829 -9.142 1.00 22.11 H new ATOM 0 HD23 LEU A 59 21.780 -12.085 -8.883 1.00 22.11 H new ATOM 874 N PRO A 60 22.435 -16.279 -11.687 1.00 21.35 N ATOM 875 CA PRO A 60 22.039 -17.418 -12.522 1.00 11.53 C ATOM 876 C PRO A 60 20.583 -17.407 -12.966 1.00 75.40 C ATOM 877 O PRO A 60 19.701 -16.893 -12.284 1.00 15.11 O ATOM 878 CB PRO A 60 22.321 -18.611 -11.616 1.00 50.40 C ATOM 879 CG PRO A 60 22.091 -18.087 -10.242 1.00 64.13 C ATOM 880 CD PRO A 60 22.673 -16.697 -10.289 1.00 51.11 C ATOM 0 HA PRO A 60 22.582 -17.419 -13.467 1.00 11.53 H new ATOM 0 HB2 PRO A 60 21.658 -19.447 -11.840 1.00 50.40 H new ATOM 0 HB3 PRO A 60 23.342 -18.972 -11.739 1.00 50.40 H new ATOM 0 HG2 PRO A 60 21.030 -18.069 -9.992 1.00 64.13 H new ATOM 0 HG3 PRO A 60 22.585 -18.703 -9.490 1.00 64.13 H new ATOM 0 HD2 PRO A 60 22.182 -16.030 -9.580 1.00 51.11 H new ATOM 0 HD3 PRO A 60 23.735 -16.696 -10.044 1.00 51.11 H new ATOM 888 N ILE A 61 20.334 -18.076 -14.085 1.00 44.53 N ATOM 889 CA ILE A 61 18.988 -18.221 -14.640 1.00 41.14 C ATOM 890 C ILE A 61 18.044 -18.907 -13.637 1.00 31.24 C ATOM 891 O ILE A 61 16.840 -18.678 -13.645 1.00 72.35 O ATOM 892 CB ILE A 61 19.057 -19.001 -16.008 1.00 21.44 C ATOM 893 CG1 ILE A 61 17.720 -18.944 -16.771 1.00 14.24 C ATOM 894 CG2 ILE A 61 19.464 -20.487 -15.799 1.00 21.34 C ATOM 895 CD1 ILE A 61 17.356 -17.561 -17.325 1.00 21.10 C ATOM 0 H ILE A 61 21.059 -18.535 -14.636 1.00 44.53 H new ATOM 0 HA ILE A 61 18.576 -17.230 -14.832 1.00 41.14 H new ATOM 0 HB ILE A 61 19.821 -18.503 -16.604 1.00 21.44 H new ATOM 0 HG12 ILE A 61 17.759 -19.653 -17.598 1.00 14.24 H new ATOM 0 HG13 ILE A 61 16.923 -19.275 -16.105 1.00 14.24 H new ATOM 0 HG21 ILE A 61 19.501 -20.993 -16.764 1.00 21.34 H new ATOM 0 HG22 ILE A 61 20.446 -20.533 -15.327 1.00 21.34 H new ATOM 0 HG23 ILE A 61 18.731 -20.979 -15.159 1.00 21.34 H new ATOM 0 HD11 ILE A 61 16.400 -17.618 -17.846 1.00 21.10 H new ATOM 0 HD12 ILE A 61 17.280 -16.849 -16.504 1.00 21.10 H new ATOM 0 HD13 ILE A 61 18.129 -17.232 -18.020 1.00 21.10 H new ATOM 907 N ARG A 62 18.612 -19.677 -12.713 1.00 52.44 N ATOM 908 CA ARG A 62 17.822 -20.324 -11.658 1.00 4.55 C ATOM 909 C ARG A 62 17.077 -19.291 -10.821 1.00 1.30 C ATOM 910 O ARG A 62 15.915 -19.470 -10.503 1.00 34.44 O ATOM 911 CB ARG A 62 18.727 -21.137 -10.725 1.00 43.40 C ATOM 912 CG ARG A 62 19.465 -22.295 -11.387 1.00 24.41 C ATOM 913 CD ARG A 62 20.302 -23.029 -10.342 1.00 34.34 C ATOM 914 NE ARG A 62 21.099 -24.129 -10.920 1.00 62.45 N ATOM 915 CZ ARG A 62 21.936 -24.910 -10.240 1.00 21.01 C ATOM 916 NH1 ARG A 62 22.136 -24.769 -8.951 1.00 13.43 N ATOM 917 NH2 ARG A 62 22.589 -25.849 -10.868 1.00 10.31 N ATOM 0 H ARG A 62 19.613 -19.871 -12.669 1.00 52.44 H new ATOM 0 HA ARG A 62 17.106 -20.983 -12.150 1.00 4.55 H new ATOM 0 HB2 ARG A 62 19.461 -20.465 -10.280 1.00 43.40 H new ATOM 0 HB3 ARG A 62 18.121 -21.532 -9.909 1.00 43.40 H new ATOM 0 HG2 ARG A 62 18.752 -22.981 -11.844 1.00 24.41 H new ATOM 0 HG3 ARG A 62 20.106 -21.922 -12.186 1.00 24.41 H new ATOM 0 HD2 ARG A 62 20.970 -22.319 -9.854 1.00 34.34 H new ATOM 0 HD3 ARG A 62 19.644 -23.429 -9.571 1.00 34.34 H new ATOM 0 HE ARG A 62 21.001 -24.305 -11.920 1.00 62.45 H new ATOM 0 HH11 ARG A 62 21.642 -24.041 -8.435 1.00 13.43 H new ATOM 0 HH12 ARG A 62 22.786 -25.387 -8.465 1.00 13.43 H new ATOM 0 HH21 ARG A 62 22.456 -25.979 -11.871 1.00 10.31 H new ATOM 0 HH22 ARG A 62 23.233 -26.453 -10.356 1.00 10.31 H new ATOM 931 N GLN A 63 17.756 -18.214 -10.460 1.00 55.24 N ATOM 932 CA GLN A 63 17.141 -17.164 -9.661 1.00 61.21 C ATOM 933 C GLN A 63 16.282 -16.257 -10.518 1.00 23.52 C ATOM 934 O GLN A 63 15.255 -15.782 -10.069 1.00 74.12 O ATOM 935 CB GLN A 63 18.206 -16.321 -8.959 1.00 5.21 C ATOM 936 CG GLN A 63 18.631 -16.890 -7.611 1.00 64.11 C ATOM 937 CD GLN A 63 19.765 -16.097 -6.995 1.00 71.13 C ATOM 938 OE1 GLN A 63 20.900 -16.201 -7.427 1.00 73.30 O ATOM 939 NE2 GLN A 63 19.466 -15.315 -5.991 1.00 43.20 N ATOM 0 H GLN A 63 18.731 -18.043 -10.706 1.00 55.24 H new ATOM 0 HA GLN A 63 16.513 -17.652 -8.915 1.00 61.21 H new ATOM 0 HB2 GLN A 63 19.081 -16.242 -9.604 1.00 5.21 H new ATOM 0 HB3 GLN A 63 17.823 -15.311 -8.815 1.00 5.21 H new ATOM 0 HG2 GLN A 63 17.778 -16.891 -6.932 1.00 64.11 H new ATOM 0 HG3 GLN A 63 18.940 -17.928 -7.736 1.00 64.11 H new ATOM 0 HE21 GLN A 63 18.503 -15.256 -5.659 1.00 43.20 H new ATOM 0 HE22 GLN A 63 20.196 -14.764 -5.539 1.00 43.20 H new ATOM 948 N LEU A 64 16.688 -16.045 -11.759 1.00 64.43 N ATOM 949 CA LEU A 64 15.939 -15.180 -12.670 1.00 33.12 C ATOM 950 C LEU A 64 14.530 -15.719 -12.940 1.00 62.52 C ATOM 951 O LEU A 64 13.591 -14.951 -13.076 1.00 22.24 O ATOM 952 CB LEU A 64 16.720 -14.999 -13.976 1.00 13.12 C ATOM 953 CG LEU A 64 16.871 -13.532 -14.427 1.00 4.30 C ATOM 954 CD1 LEU A 64 17.980 -13.438 -15.466 1.00 21.10 C ATOM 955 CD2 LEU A 64 15.570 -12.963 -14.998 1.00 1.41 C ATOM 0 H LEU A 64 17.529 -16.457 -12.163 1.00 64.43 H new ATOM 0 HA LEU A 64 15.818 -14.208 -12.192 1.00 33.12 H new ATOM 0 HB2 LEU A 64 17.712 -15.434 -13.856 1.00 13.12 H new ATOM 0 HB3 LEU A 64 16.220 -15.560 -14.765 1.00 13.12 H new ATOM 0 HG LEU A 64 17.124 -12.937 -13.550 1.00 4.30 H new ATOM 0 HD11 LEU A 64 18.090 -12.402 -15.788 1.00 21.10 H new ATOM 0 HD12 LEU A 64 18.917 -13.784 -15.030 1.00 21.10 H new ATOM 0 HD13 LEU A 64 17.728 -14.060 -16.325 1.00 21.10 H new ATOM 0 HD21 LEU A 64 15.728 -11.928 -15.301 1.00 1.41 H new ATOM 0 HD22 LEU A 64 15.264 -13.552 -15.863 1.00 1.41 H new ATOM 0 HD23 LEU A 64 14.790 -13.003 -14.237 1.00 1.41 H new ATOM 967 N PHE A 65 14.366 -17.035 -12.957 1.00 71.21 N ATOM 968 CA PHE A 65 13.028 -17.619 -13.131 1.00 14.34 C ATOM 969 C PHE A 65 12.114 -17.295 -11.941 1.00 43.23 C ATOM 970 O PHE A 65 10.908 -17.150 -12.102 1.00 21.33 O ATOM 971 CB PHE A 65 13.123 -19.135 -13.303 1.00 0.10 C ATOM 972 CG PHE A 65 12.996 -19.584 -14.736 1.00 62.14 C ATOM 973 CD1 PHE A 65 14.072 -19.430 -15.631 1.00 13.05 C ATOM 974 CD2 PHE A 65 11.795 -20.148 -15.207 1.00 64.20 C ATOM 975 CE1 PHE A 65 13.960 -19.842 -16.985 1.00 35.15 C ATOM 976 CE2 PHE A 65 11.669 -20.564 -16.561 1.00 71.12 C ATOM 977 CZ PHE A 65 12.753 -20.409 -17.447 1.00 11.32 C ATOM 0 H PHE A 65 15.121 -17.713 -12.855 1.00 71.21 H new ATOM 0 HA PHE A 65 12.595 -17.178 -14.029 1.00 14.34 H new ATOM 0 HB2 PHE A 65 14.078 -19.479 -12.905 1.00 0.10 H new ATOM 0 HB3 PHE A 65 12.341 -19.610 -12.711 1.00 0.10 H new ATOM 0 HD1 PHE A 65 14.996 -18.992 -15.283 1.00 13.05 H new ATOM 0 HD2 PHE A 65 10.960 -20.266 -14.532 1.00 64.20 H new ATOM 0 HE1 PHE A 65 14.795 -19.722 -17.659 1.00 35.15 H new ATOM 0 HE2 PHE A 65 10.744 -20.998 -16.909 1.00 71.12 H new ATOM 0 HZ PHE A 65 12.661 -20.723 -18.476 1.00 11.32 H new ATOM 987 N SER A 66 12.697 -17.165 -10.758 1.00 32.14 N ATOM 988 CA SER A 66 11.941 -16.820 -9.549 1.00 35.12 C ATOM 989 C SER A 66 11.862 -15.303 -9.343 1.00 13.35 C ATOM 990 O SER A 66 11.189 -14.824 -8.438 1.00 4.53 O ATOM 991 CB SER A 66 12.623 -17.442 -8.329 1.00 14.11 C ATOM 992 OG SER A 66 12.805 -18.836 -8.531 1.00 61.21 O ATOM 0 H SER A 66 13.697 -17.293 -10.603 1.00 32.14 H new ATOM 0 HA SER A 66 10.929 -17.207 -9.669 1.00 35.12 H new ATOM 0 HB2 SER A 66 13.587 -16.962 -8.157 1.00 14.11 H new ATOM 0 HB3 SER A 66 12.019 -17.271 -7.438 1.00 14.11 H new ATOM 0 HG SER A 66 13.244 -19.226 -7.746 1.00 61.21 H new ATOM 998 N SER A 67 12.595 -14.561 -10.156 1.00 32.03 N ATOM 999 CA SER A 67 12.651 -13.106 -10.072 1.00 55.23 C ATOM 1000 C SER A 67 12.671 -12.523 -11.489 1.00 62.31 C ATOM 1001 O SER A 67 13.711 -12.063 -11.951 1.00 2.34 O ATOM 1002 CB SER A 67 13.903 -12.685 -9.314 1.00 11.31 C ATOM 1003 OG SER A 67 13.882 -13.240 -8.001 1.00 52.51 O ATOM 0 H SER A 67 13.174 -14.952 -10.900 1.00 32.03 H new ATOM 0 HA SER A 67 11.776 -12.732 -9.540 1.00 55.23 H new ATOM 0 HB2 SER A 67 14.792 -13.022 -9.847 1.00 11.31 H new ATOM 0 HB3 SER A 67 13.957 -11.598 -9.258 1.00 11.31 H new ATOM 0 HG SER A 67 14.690 -12.968 -7.518 1.00 52.51 H new ATOM 1009 N PRO A 68 11.548 -12.598 -12.216 1.00 73.42 N ATOM 1010 CA PRO A 68 11.570 -12.196 -13.628 1.00 23.53 C ATOM 1011 C PRO A 68 11.592 -10.683 -13.875 1.00 71.43 C ATOM 1012 O PRO A 68 11.846 -10.262 -14.997 1.00 53.14 O ATOM 1013 CB PRO A 68 10.292 -12.807 -14.170 1.00 54.30 C ATOM 1014 CG PRO A 68 9.359 -12.764 -13.022 1.00 14.42 C ATOM 1015 CD PRO A 68 10.215 -13.123 -11.844 1.00 73.44 C ATOM 0 HA PRO A 68 12.487 -12.533 -14.110 1.00 23.53 H new ATOM 0 HB2 PRO A 68 9.907 -12.241 -15.018 1.00 54.30 H new ATOM 0 HB3 PRO A 68 10.453 -13.828 -14.515 1.00 54.30 H new ATOM 0 HG2 PRO A 68 8.915 -11.775 -12.906 1.00 14.42 H new ATOM 0 HG3 PRO A 68 8.538 -13.470 -13.148 1.00 14.42 H new ATOM 0 HD2 PRO A 68 9.846 -12.667 -10.925 1.00 73.44 H new ATOM 0 HD3 PRO A 68 10.239 -14.200 -11.678 1.00 73.44 H new ATOM 1023 N THR A 69 11.295 -9.883 -12.861 1.00 54.30 N ATOM 1024 CA THR A 69 11.262 -8.423 -12.999 1.00 53.35 C ATOM 1025 C THR A 69 12.590 -7.800 -12.577 1.00 44.34 C ATOM 1026 O THR A 69 13.261 -8.350 -11.685 1.00 13.31 O ATOM 1027 CB THR A 69 10.139 -7.821 -12.087 1.00 63.22 C ATOM 1028 OG1 THR A 69 10.479 -8.038 -10.721 1.00 42.25 O ATOM 1029 CG2 THR A 69 8.808 -8.420 -12.353 1.00 24.20 C ATOM 0 H THR A 69 11.071 -10.218 -11.924 1.00 54.30 H new ATOM 0 HA THR A 69 11.068 -8.199 -14.048 1.00 53.35 H new ATOM 0 HB THR A 69 10.073 -6.756 -12.311 1.00 63.22 H new ATOM 0 HG1 THR A 69 10.510 -7.179 -10.251 1.00 42.25 H new ATOM 0 HG21 THR A 69 8.067 -7.967 -11.694 1.00 24.20 H new ATOM 0 HG22 THR A 69 8.529 -8.240 -13.391 1.00 24.20 H new ATOM 0 HG23 THR A 69 8.849 -9.494 -12.169 1.00 24.20 H new ATOM 1037 N PRO A 70 12.986 -6.637 -13.144 1.00 43.04 N ATOM 1038 CA PRO A 70 14.220 -6.001 -12.653 1.00 33.02 C ATOM 1039 C PRO A 70 14.247 -5.763 -11.143 1.00 4.35 C ATOM 1040 O PRO A 70 15.299 -5.885 -10.506 1.00 72.23 O ATOM 1041 CB PRO A 70 14.244 -4.661 -13.404 1.00 71.44 C ATOM 1042 CG PRO A 70 13.461 -4.922 -14.638 1.00 12.21 C ATOM 1043 CD PRO A 70 12.364 -5.868 -14.236 1.00 74.45 C ATOM 0 HA PRO A 70 15.084 -6.641 -12.831 1.00 33.02 H new ATOM 0 HB2 PRO A 70 13.798 -3.863 -12.810 1.00 71.44 H new ATOM 0 HB3 PRO A 70 15.263 -4.353 -13.637 1.00 71.44 H new ATOM 0 HG2 PRO A 70 13.050 -3.997 -15.043 1.00 12.21 H new ATOM 0 HG3 PRO A 70 14.089 -5.359 -15.414 1.00 12.21 H new ATOM 0 HD2 PRO A 70 11.473 -5.337 -13.901 1.00 74.45 H new ATOM 0 HD3 PRO A 70 12.060 -6.511 -15.062 1.00 74.45 H new ATOM 1051 N ALA A 71 13.118 -5.372 -10.555 1.00 10.24 N ATOM 1052 CA ALA A 71 13.082 -5.130 -9.133 1.00 44.03 C ATOM 1053 C ALA A 71 13.308 -6.398 -8.312 1.00 23.15 C ATOM 1054 O ALA A 71 13.960 -6.382 -7.231 1.00 51.42 O ATOM 1055 CB ALA A 71 11.683 -4.540 -8.720 1.00 74.25 C ATOM 0 H ALA A 71 12.234 -5.221 -11.041 1.00 10.24 H new ATOM 0 HA ALA A 71 13.889 -4.428 -8.924 1.00 44.03 H new ATOM 0 HB1 ALA A 71 11.667 -4.361 -7.645 1.00 74.25 H new ATOM 0 HB2 ALA A 71 11.514 -3.601 -9.247 1.00 74.25 H new ATOM 0 HB3 ALA A 71 10.898 -5.249 -8.982 1.00 74.25 H new ATOM 1061 N GLY A 72 12.882 -7.530 -8.856 1.00 41.34 N ATOM 1062 CA GLY A 72 13.132 -8.823 -8.215 1.00 51.03 C ATOM 1063 C GLY A 72 14.589 -9.224 -8.343 1.00 30.30 C ATOM 1064 O GLY A 72 15.188 -9.709 -7.376 1.00 41.33 O ATOM 0 H GLY A 72 12.365 -7.584 -9.733 1.00 41.34 H new ATOM 0 HA2 GLY A 72 12.858 -8.769 -7.161 1.00 51.03 H new ATOM 0 HA3 GLY A 72 12.500 -9.586 -8.670 1.00 51.03 H new ATOM 1068 N VAL A 73 15.182 -9.007 -9.506 1.00 1.21 N ATOM 1069 CA VAL A 73 16.589 -9.353 -9.723 1.00 21.00 C ATOM 1070 C VAL A 73 17.477 -8.522 -8.794 1.00 44.50 C ATOM 1071 O VAL A 73 18.435 -9.038 -8.224 1.00 5.02 O ATOM 1072 CB VAL A 73 17.014 -9.128 -11.211 1.00 61.13 C ATOM 1073 CG1 VAL A 73 18.507 -9.419 -11.406 1.00 11.32 C ATOM 1074 CG2 VAL A 73 16.208 -10.040 -12.141 1.00 42.42 C ATOM 0 H VAL A 73 14.718 -8.595 -10.315 1.00 1.21 H new ATOM 0 HA VAL A 73 16.713 -10.412 -9.498 1.00 21.00 H new ATOM 0 HB VAL A 73 16.817 -8.084 -11.455 1.00 61.13 H new ATOM 0 HG11 VAL A 73 18.776 -9.255 -12.449 1.00 11.32 H new ATOM 0 HG12 VAL A 73 19.093 -8.755 -10.771 1.00 11.32 H new ATOM 0 HG13 VAL A 73 18.714 -10.455 -11.136 1.00 11.32 H new ATOM 0 HG21 VAL A 73 16.516 -9.871 -13.173 1.00 42.42 H new ATOM 0 HG22 VAL A 73 16.388 -11.082 -11.875 1.00 42.42 H new ATOM 0 HG23 VAL A 73 15.146 -9.817 -12.038 1.00 42.42 H new ATOM 1084 N ALA A 74 17.154 -7.249 -8.602 1.00 12.05 N ATOM 1085 CA ALA A 74 17.970 -6.384 -7.751 1.00 53.42 C ATOM 1086 C ALA A 74 18.051 -6.884 -6.310 1.00 54.53 C ATOM 1087 O ALA A 74 19.127 -6.902 -5.724 1.00 33.45 O ATOM 1088 CB ALA A 74 17.424 -4.971 -7.769 1.00 2.42 C ATOM 0 H ALA A 74 16.342 -6.794 -9.018 1.00 12.05 H new ATOM 0 HA ALA A 74 18.981 -6.400 -8.159 1.00 53.42 H new ATOM 0 HB1 ALA A 74 18.039 -4.335 -7.132 1.00 2.42 H new ATOM 0 HB2 ALA A 74 17.441 -4.587 -8.789 1.00 2.42 H new ATOM 0 HB3 ALA A 74 16.399 -4.972 -7.399 1.00 2.42 H new ATOM 1094 N ARG A 75 16.924 -7.280 -5.732 1.00 45.30 N ATOM 1095 CA ARG A 75 16.913 -7.726 -4.339 1.00 22.24 C ATOM 1096 C ARG A 75 17.504 -9.118 -4.203 1.00 22.34 C ATOM 1097 O ARG A 75 18.171 -9.417 -3.220 1.00 22.12 O ATOM 1098 CB ARG A 75 15.506 -7.606 -3.756 1.00 41.03 C ATOM 1099 CG ARG A 75 14.430 -8.366 -4.488 1.00 10.32 C ATOM 1100 CD ARG A 75 13.045 -7.908 -4.029 1.00 41.51 C ATOM 1101 NE ARG A 75 12.771 -6.535 -4.507 1.00 13.32 N ATOM 1102 CZ ARG A 75 11.928 -5.669 -3.952 1.00 71.44 C ATOM 1103 NH1 ARG A 75 11.218 -5.966 -2.891 1.00 33.33 N ATOM 1104 NH2 ARG A 75 11.809 -4.479 -4.472 1.00 74.41 N ATOM 0 H ARG A 75 16.016 -7.303 -6.196 1.00 45.30 H new ATOM 0 HA ARG A 75 17.556 -7.072 -3.749 1.00 22.24 H new ATOM 0 HB2 ARG A 75 15.530 -7.951 -2.722 1.00 41.03 H new ATOM 0 HB3 ARG A 75 15.230 -6.552 -3.734 1.00 41.03 H new ATOM 0 HG2 ARG A 75 14.533 -8.211 -5.562 1.00 10.32 H new ATOM 0 HG3 ARG A 75 14.544 -9.435 -4.308 1.00 10.32 H new ATOM 0 HD2 ARG A 75 12.285 -8.591 -4.409 1.00 41.51 H new ATOM 0 HD3 ARG A 75 12.987 -7.940 -2.941 1.00 41.51 H new ATOM 0 HE ARG A 75 13.274 -6.224 -5.338 1.00 13.32 H new ATOM 0 HH11 ARG A 75 11.302 -6.888 -2.463 1.00 33.33 H new ATOM 0 HH12 ARG A 75 10.582 -5.275 -2.493 1.00 33.33 H new ATOM 0 HH21 ARG A 75 12.358 -4.224 -5.293 1.00 74.41 H new ATOM 0 HH22 ARG A 75 11.167 -3.803 -4.058 1.00 74.41 H new ATOM 1118 N ALA A 76 17.322 -9.932 -5.233 1.00 23.23 N ATOM 1119 CA ALA A 76 17.971 -11.246 -5.290 1.00 61.13 C ATOM 1120 C ALA A 76 19.499 -11.081 -5.281 1.00 12.34 C ATOM 1121 O ALA A 76 20.208 -11.791 -4.601 1.00 64.01 O ATOM 1122 CB ALA A 76 17.501 -12.019 -6.540 1.00 75.04 C ATOM 0 H ALA A 76 16.736 -9.713 -6.038 1.00 23.23 H new ATOM 0 HA ALA A 76 17.687 -11.823 -4.410 1.00 61.13 H new ATOM 0 HB1 ALA A 76 17.990 -12.993 -6.571 1.00 75.04 H new ATOM 0 HB2 ALA A 76 16.421 -12.157 -6.498 1.00 75.04 H new ATOM 0 HB3 ALA A 76 17.760 -11.454 -7.436 1.00 75.04 H new ATOM 1128 N LEU A 77 19.988 -10.114 -6.042 1.00 52.31 N ATOM 1129 CA LEU A 77 21.400 -9.820 -6.157 1.00 73.34 C ATOM 1130 C LEU A 77 21.942 -9.164 -4.871 1.00 62.11 C ATOM 1131 O LEU A 77 23.084 -9.416 -4.459 1.00 63.11 O ATOM 1132 CB LEU A 77 21.663 -8.899 -7.337 1.00 22.31 C ATOM 1133 CG LEU A 77 23.084 -8.346 -7.503 1.00 45.54 C ATOM 1134 CD1 LEU A 77 24.083 -9.522 -7.729 1.00 72.20 C ATOM 1135 CD2 LEU A 77 23.114 -7.369 -8.662 1.00 22.42 C ATOM 0 H LEU A 77 19.399 -9.502 -6.607 1.00 52.31 H new ATOM 0 HA LEU A 77 21.916 -10.767 -6.314 1.00 73.34 H new ATOM 0 HB2 LEU A 77 21.404 -9.438 -8.248 1.00 22.31 H new ATOM 0 HB3 LEU A 77 20.980 -8.053 -7.262 1.00 22.31 H new ATOM 0 HG LEU A 77 23.384 -7.816 -6.599 1.00 45.54 H new ATOM 0 HD11 LEU A 77 25.091 -9.125 -7.847 1.00 72.20 H new ATOM 0 HD12 LEU A 77 24.055 -10.193 -6.871 1.00 72.20 H new ATOM 0 HD13 LEU A 77 23.802 -10.071 -8.628 1.00 72.20 H new ATOM 0 HD21 LEU A 77 24.124 -6.976 -8.780 1.00 22.42 H new ATOM 0 HD22 LEU A 77 22.814 -7.880 -9.577 1.00 22.42 H new ATOM 0 HD23 LEU A 77 22.426 -6.548 -8.463 1.00 22.42 H new ATOM 1147 N ALA A 78 21.123 -8.353 -4.188 1.00 63.05 N ATOM 1148 CA ALA A 78 21.565 -7.688 -2.977 1.00 4.51 C ATOM 1149 C ALA A 78 21.969 -8.693 -1.901 1.00 52.41 C ATOM 1150 O ALA A 78 22.809 -8.379 -1.043 1.00 33.24 O ATOM 1151 CB ALA A 78 20.405 -6.801 -2.450 1.00 71.33 C ATOM 0 H ALA A 78 20.161 -8.149 -4.459 1.00 63.05 H new ATOM 0 HA ALA A 78 22.440 -7.082 -3.210 1.00 4.51 H new ATOM 0 HB1 ALA A 78 20.721 -6.293 -1.539 1.00 71.33 H new ATOM 0 HB2 ALA A 78 20.141 -6.061 -3.205 1.00 71.33 H new ATOM 0 HB3 ALA A 78 19.538 -7.426 -2.236 1.00 71.33 H new ATOM 1157 N ALA A 79 21.440 -9.919 -1.971 1.00 71.13 N ATOM 1158 CA ALA A 79 21.847 -10.973 -1.031 1.00 62.25 C ATOM 1159 C ALA A 79 23.330 -11.322 -1.134 1.00 52.05 C ATOM 1160 O ALA A 79 23.899 -11.840 -0.188 1.00 1.31 O ATOM 1161 CB ALA A 79 20.965 -12.218 -1.305 1.00 41.22 C ATOM 0 H ALA A 79 20.740 -10.205 -2.656 1.00 71.13 H new ATOM 0 HA ALA A 79 21.703 -10.611 -0.013 1.00 62.25 H new ATOM 0 HB1 ALA A 79 21.244 -13.019 -0.621 1.00 41.22 H new ATOM 0 HB2 ALA A 79 19.916 -11.961 -1.154 1.00 41.22 H new ATOM 0 HB3 ALA A 79 21.113 -12.550 -2.333 1.00 41.22 H new ATOM 1167 N LYS A 80 23.937 -11.035 -2.277 1.00 23.41 N ATOM 1168 CA LYS A 80 25.355 -11.302 -2.492 1.00 52.33 C ATOM 1169 C LYS A 80 26.221 -10.478 -1.543 1.00 50.10 C ATOM 1170 O LYS A 80 27.256 -10.946 -1.070 1.00 54.43 O ATOM 1171 CB LYS A 80 25.718 -10.960 -3.945 1.00 43.51 C ATOM 1172 CG LYS A 80 27.095 -11.418 -4.420 1.00 71.42 C ATOM 1173 CD LYS A 80 27.148 -12.928 -4.640 1.00 22.54 C ATOM 1174 CE LYS A 80 28.503 -13.329 -5.210 1.00 75.14 C ATOM 1175 NZ LYS A 80 28.568 -14.796 -5.508 1.00 61.20 N ATOM 0 H LYS A 80 23.466 -10.613 -3.077 1.00 23.41 H new ATOM 0 HA LYS A 80 25.543 -12.357 -2.295 1.00 52.33 H new ATOM 0 HB2 LYS A 80 24.966 -11.401 -4.599 1.00 43.51 H new ATOM 0 HB3 LYS A 80 25.655 -9.879 -4.069 1.00 43.51 H new ATOM 0 HG2 LYS A 80 27.347 -10.907 -5.349 1.00 71.42 H new ATOM 0 HG3 LYS A 80 27.847 -11.132 -3.684 1.00 71.42 H new ATOM 0 HD2 LYS A 80 26.974 -13.447 -3.697 1.00 22.54 H new ATOM 0 HD3 LYS A 80 26.354 -13.232 -5.322 1.00 22.54 H new ATOM 0 HE2 LYS A 80 28.696 -12.764 -6.122 1.00 75.14 H new ATOM 0 HE3 LYS A 80 29.288 -13.067 -4.501 1.00 75.14 H new ATOM 0 HZ1 LYS A 80 29.505 -15.031 -5.894 1.00 61.20 H new ATOM 0 HZ2 LYS A 80 28.409 -15.335 -4.633 1.00 61.20 H new ATOM 0 HZ3 LYS A 80 27.835 -15.042 -6.204 1.00 61.20 H new ATOM 1189 N SER A 81 25.780 -9.264 -1.254 1.00 42.35 N ATOM 1190 CA SER A 81 26.518 -8.354 -0.379 1.00 44.22 C ATOM 1191 C SER A 81 26.306 -8.689 1.092 1.00 4.00 C ATOM 1192 O SER A 81 27.047 -8.237 1.951 1.00 14.34 O ATOM 1193 CB SER A 81 26.067 -6.916 -0.641 1.00 21.51 C ATOM 1194 OG SER A 81 26.143 -6.629 -2.026 1.00 64.13 O ATOM 0 H SER A 81 24.907 -8.879 -1.614 1.00 42.35 H new ATOM 0 HA SER A 81 27.579 -8.465 -0.601 1.00 44.22 H new ATOM 0 HB2 SER A 81 25.045 -6.777 -0.288 1.00 21.51 H new ATOM 0 HB3 SER A 81 26.695 -6.222 -0.082 1.00 21.51 H new ATOM 0 HG SER A 81 25.851 -5.707 -2.186 1.00 64.13 H new ATOM 1200 N ALA A 82 25.306 -9.514 1.370 1.00 51.03 N ATOM 1201 CA ALA A 82 25.037 -9.981 2.729 1.00 73.44 C ATOM 1202 C ALA A 82 25.810 -11.287 2.983 1.00 44.22 C ATOM 1203 O ALA A 82 25.578 -11.986 3.968 1.00 42.34 O ATOM 1204 CB ALA A 82 23.528 -10.203 2.918 1.00 2.10 C ATOM 0 H ALA A 82 24.661 -9.878 0.668 1.00 51.03 H new ATOM 0 HA ALA A 82 25.367 -9.229 3.445 1.00 73.44 H new ATOM 0 HB1 ALA A 82 23.336 -10.551 3.933 1.00 2.10 H new ATOM 0 HB2 ALA A 82 22.998 -9.265 2.749 1.00 2.10 H new ATOM 0 HB3 ALA A 82 23.178 -10.950 2.206 1.00 2.10 H new ATOM 1210 N SER A 83 26.700 -11.617 2.060 1.00 43.15 N ATOM 1211 CA SER A 83 27.514 -12.822 2.141 1.00 14.14 C ATOM 1212 C SER A 83 28.970 -12.381 2.190 1.00 65.34 C ATOM 1213 O SER A 83 29.257 -11.198 2.267 1.00 54.41 O ATOM 1214 CB SER A 83 27.244 -13.724 0.933 1.00 40.12 C ATOM 1215 OG SER A 83 27.749 -15.037 1.140 1.00 71.23 O ATOM 0 H SER A 83 26.880 -11.054 1.229 1.00 43.15 H new ATOM 0 HA SER A 83 27.271 -13.401 3.032 1.00 14.14 H new ATOM 0 HB2 SER A 83 26.171 -13.771 0.745 1.00 40.12 H new ATOM 0 HB3 SER A 83 27.704 -13.292 0.045 1.00 40.12 H new ATOM 0 HG SER A 83 27.886 -15.188 2.099 1.00 71.23 H new ATOM 1221 N TRP A 84 29.889 -13.333 2.149 1.00 12.43 N ATOM 1222 CA TRP A 84 31.319 -13.037 2.267 1.00 72.21 C ATOM 1223 C TRP A 84 31.927 -12.423 1.004 1.00 72.04 C ATOM 1224 O TRP A 84 33.121 -12.135 0.965 1.00 40.01 O ATOM 1225 CB TRP A 84 32.065 -14.321 2.624 1.00 71.11 C ATOM 1226 CG TRP A 84 31.479 -14.994 3.830 1.00 1.53 C ATOM 1227 CD1 TRP A 84 31.730 -14.705 5.131 1.00 72.51 C ATOM 1228 CD2 TRP A 84 30.514 -16.064 3.856 1.00 61.43 C ATOM 1229 NE1 TRP A 84 31.008 -15.501 5.971 1.00 51.34 N ATOM 1230 CE2 TRP A 84 30.240 -16.351 5.225 1.00 53.33 C ATOM 1231 CE3 TRP A 84 29.849 -16.809 2.859 1.00 51.04 C ATOM 1232 CZ2 TRP A 84 29.321 -17.345 5.620 1.00 73.20 C ATOM 1233 CZ3 TRP A 84 28.924 -17.813 3.250 1.00 22.23 C ATOM 1234 CH2 TRP A 84 28.670 -18.066 4.631 1.00 23.22 C ATOM 0 H TRP A 84 29.674 -14.324 2.035 1.00 12.43 H new ATOM 0 HA TRP A 84 31.424 -12.288 3.052 1.00 72.21 H new ATOM 0 HB2 TRP A 84 32.035 -15.006 1.776 1.00 71.11 H new ATOM 0 HB3 TRP A 84 33.114 -14.091 2.811 1.00 71.11 H new ATOM 0 HD1 TRP A 84 32.417 -13.939 5.461 1.00 72.51 H new ATOM 0 HE1 TRP A 84 31.036 -15.467 6.990 1.00 51.34 H new ATOM 0 HE3 TRP A 84 30.041 -16.618 1.813 1.00 51.04 H new ATOM 0 HZ2 TRP A 84 29.129 -17.539 6.665 1.00 73.20 H new ATOM 0 HZ3 TRP A 84 28.409 -18.390 2.496 1.00 22.23 H new ATOM 0 HH2 TRP A 84 27.960 -18.831 4.910 1.00 23.22 H new ATOM 1245 N SER A 85 31.118 -12.233 -0.028 1.00 22.11 N ATOM 1246 CA SER A 85 31.590 -11.607 -1.254 1.00 53.52 C ATOM 1247 C SER A 85 31.849 -10.129 -0.994 1.00 11.42 C ATOM 1248 O SER A 85 31.067 -9.471 -0.317 1.00 51.42 O ATOM 1249 CB SER A 85 30.538 -11.744 -2.348 1.00 44.41 C ATOM 1250 OG SER A 85 29.409 -12.465 -1.873 1.00 4.32 O ATOM 0 H SER A 85 30.134 -12.503 -0.041 1.00 22.11 H new ATOM 0 HA SER A 85 32.509 -12.097 -1.575 1.00 53.52 H new ATOM 0 HB2 SER A 85 30.228 -10.755 -2.687 1.00 44.41 H new ATOM 0 HB3 SER A 85 30.967 -12.256 -3.209 1.00 44.41 H new ATOM 0 HG SER A 85 28.671 -11.843 -1.703 1.00 4.32 H new ATOM 1256 N HIS A 86 32.944 -9.609 -1.525 1.00 21.24 N ATOM 1257 CA HIS A 86 33.281 -8.210 -1.315 1.00 44.11 C ATOM 1258 C HIS A 86 32.348 -7.320 -2.137 1.00 23.13 C ATOM 1259 O HIS A 86 32.182 -7.543 -3.345 1.00 5.10 O ATOM 1260 CB HIS A 86 34.732 -7.948 -1.725 1.00 54.41 C ATOM 1261 CG HIS A 86 35.700 -8.944 -1.166 1.00 4.01 C ATOM 1262 ND1 HIS A 86 35.913 -9.153 0.176 1.00 61.32 N ATOM 1263 CD2 HIS A 86 36.528 -9.820 -1.795 1.00 0.33 C ATOM 1264 CE1 HIS A 86 36.822 -10.113 0.304 1.00 1.11 C ATOM 1265 NE2 HIS A 86 37.235 -10.553 -0.867 1.00 20.20 N ATOM 0 H HIS A 86 33.609 -10.128 -2.099 1.00 21.24 H new ATOM 0 HA HIS A 86 33.163 -7.977 -0.257 1.00 44.11 H new ATOM 0 HB2 HIS A 86 34.801 -7.957 -2.813 1.00 54.41 H new ATOM 0 HB3 HIS A 86 35.020 -6.950 -1.396 1.00 54.41 H new ATOM 0 HD2 HIS A 86 36.618 -9.926 -2.866 1.00 0.33 H new ATOM 0 HE1 HIS A 86 37.179 -10.487 1.252 1.00 1.11 H new ATOM 0 HE2 HIS A 86 37.928 -11.279 -1.048 1.00 20.20 H new ATOM 1273 N PRO A 87 31.728 -6.307 -1.505 1.00 54.04 N ATOM 1274 CA PRO A 87 30.880 -5.424 -2.312 1.00 44.12 C ATOM 1275 C PRO A 87 31.736 -4.418 -3.100 1.00 40.25 C ATOM 1276 O PRO A 87 32.937 -4.311 -2.882 1.00 24.01 O ATOM 1277 CB PRO A 87 30.053 -4.700 -1.252 1.00 11.45 C ATOM 1278 CG PRO A 87 30.971 -4.576 -0.108 1.00 5.22 C ATOM 1279 CD PRO A 87 31.744 -5.879 -0.090 1.00 22.04 C ATOM 0 HA PRO A 87 30.281 -5.955 -3.052 1.00 44.12 H new ATOM 0 HB2 PRO A 87 29.720 -3.724 -1.604 1.00 11.45 H new ATOM 0 HB3 PRO A 87 29.160 -5.266 -0.987 1.00 11.45 H new ATOM 0 HG2 PRO A 87 31.638 -3.722 -0.227 1.00 5.22 H new ATOM 0 HG3 PRO A 87 30.425 -4.427 0.823 1.00 5.22 H new ATOM 0 HD2 PRO A 87 32.761 -5.738 0.275 1.00 22.04 H new ATOM 0 HD3 PRO A 87 31.272 -6.617 0.558 1.00 22.04 H new ATOM 1287 N GLN A 88 31.108 -3.661 -3.987 1.00 55.52 N ATOM 1288 CA GLN A 88 31.792 -2.594 -4.683 1.00 13.03 C ATOM 1289 C GLN A 88 32.075 -1.457 -3.730 1.00 60.15 C ATOM 1290 O GLN A 88 31.478 -1.356 -2.680 1.00 21.11 O ATOM 1291 CB GLN A 88 30.949 -2.090 -5.879 1.00 24.22 C ATOM 1292 CG GLN A 88 29.538 -1.576 -5.507 1.00 13.45 C ATOM 1293 CD GLN A 88 28.475 -2.672 -5.656 1.00 20.51 C ATOM 1294 OE1 GLN A 88 28.371 -3.591 -4.837 1.00 32.50 O ATOM 1295 NE2 GLN A 88 27.669 -2.564 -6.673 1.00 53.13 N ATOM 0 H GLN A 88 30.125 -3.770 -4.238 1.00 55.52 H new ATOM 0 HA GLN A 88 32.735 -2.981 -5.069 1.00 13.03 H new ATOM 0 HB2 GLN A 88 31.493 -1.287 -6.376 1.00 24.22 H new ATOM 0 HB3 GLN A 88 30.847 -2.901 -6.601 1.00 24.22 H new ATOM 0 HG2 GLN A 88 29.543 -1.212 -4.480 1.00 13.45 H new ATOM 0 HG3 GLN A 88 29.280 -0.730 -6.144 1.00 13.45 H new ATOM 0 HE21 GLN A 88 27.780 -1.794 -7.332 1.00 53.13 H new ATOM 0 HE22 GLN A 88 26.926 -3.250 -6.810 1.00 53.13 H new ATOM 1304 N PHE A 89 32.941 -0.555 -4.167 1.00 73.44 N ATOM 1305 CA PHE A 89 33.301 0.625 -3.393 1.00 64.32 C ATOM 1306 C PHE A 89 32.276 1.757 -3.530 1.00 54.15 C ATOM 1307 O PHE A 89 32.485 2.834 -2.980 1.00 70.52 O ATOM 1308 CB PHE A 89 34.667 1.131 -3.841 1.00 33.14 C ATOM 1309 CG PHE A 89 35.780 0.159 -3.582 1.00 20.44 C ATOM 1310 CD1 PHE A 89 36.259 -0.055 -2.271 1.00 51.25 C ATOM 1311 CD2 PHE A 89 36.357 -0.567 -4.648 1.00 64.32 C ATOM 1312 CE1 PHE A 89 37.324 -0.973 -2.025 1.00 64.05 C ATOM 1313 CE2 PHE A 89 37.416 -1.479 -4.414 1.00 0.40 C ATOM 1314 CZ PHE A 89 37.896 -1.688 -3.100 1.00 43.45 C ATOM 0 H PHE A 89 33.414 -0.620 -5.068 1.00 73.44 H new ATOM 0 HA PHE A 89 33.323 0.327 -2.345 1.00 64.32 H new ATOM 0 HB2 PHE A 89 34.631 1.354 -4.907 1.00 33.14 H new ATOM 0 HB3 PHE A 89 34.886 2.067 -3.327 1.00 33.14 H new ATOM 0 HD1 PHE A 89 35.815 0.482 -1.446 1.00 51.25 H new ATOM 0 HD2 PHE A 89 35.987 -0.425 -5.653 1.00 64.32 H new ATOM 0 HE1 PHE A 89 37.691 -1.120 -1.020 1.00 64.05 H new ATOM 0 HE2 PHE A 89 37.858 -2.016 -5.241 1.00 0.40 H new ATOM 0 HZ PHE A 89 38.696 -2.391 -2.920 1.00 43.45 H new ATOM 1324 N GLU A 90 31.219 1.496 -4.312 1.00 61.12 N ATOM 1325 CA GLU A 90 30.161 2.484 -4.630 1.00 64.41 C ATOM 1326 C GLU A 90 30.767 3.733 -5.283 1.00 70.14 C ATOM 1327 O GLU A 90 30.296 4.848 -5.133 1.00 63.32 O ATOM 1328 CB GLU A 90 29.364 2.842 -3.401 1.00 61.11 C ATOM 1329 CG GLU A 90 28.702 1.648 -2.735 1.00 34.43 C ATOM 1330 CD GLU A 90 27.617 2.043 -1.736 1.00 54.42 C ATOM 1331 OE1 GLU A 90 26.536 2.490 -2.193 1.00 15.11 O ATOM 1332 OE2 GLU A 90 27.820 1.882 -0.519 1.00 0.43 O ATOM 0 H GLU A 90 31.067 0.587 -4.749 1.00 61.12 H new ATOM 0 HA GLU A 90 29.475 2.029 -5.344 1.00 64.41 H new ATOM 0 HB2 GLU A 90 30.021 3.330 -2.682 1.00 61.11 H new ATOM 0 HB3 GLU A 90 28.597 3.566 -3.674 1.00 61.11 H new ATOM 0 HG2 GLU A 90 28.266 1.008 -3.502 1.00 34.43 H new ATOM 0 HG3 GLU A 90 29.462 1.058 -2.222 1.00 34.43 H new ATOM 1339 N LYS A 91 31.827 3.481 -6.036 1.00 21.33 N ATOM 1340 CA LYS A 91 32.538 4.474 -6.823 1.00 43.43 C ATOM 1341 C LYS A 91 32.468 4.056 -8.275 1.00 2.43 C ATOM 1342 O LYS A 91 32.802 4.881 -9.140 1.00 5.12 O ATOM 1343 CB LYS A 91 33.990 4.562 -6.382 1.00 62.31 C ATOM 1344 CG LYS A 91 34.213 5.134 -4.974 1.00 42.21 C ATOM 1345 CD LYS A 91 33.745 6.597 -4.816 1.00 71.24 C ATOM 1346 CE LYS A 91 34.474 7.557 -5.763 1.00 23.40 C ATOM 1347 NZ LYS A 91 35.964 7.474 -5.588 1.00 43.01 N ATOM 0 H LYS A 91 32.229 2.547 -6.118 1.00 21.33 H new ATOM 0 HA LYS A 91 32.082 5.454 -6.684 1.00 43.43 H new ATOM 0 HB2 LYS A 91 34.427 3.564 -6.425 1.00 62.31 H new ATOM 0 HB3 LYS A 91 34.533 5.179 -7.098 1.00 62.31 H new ATOM 0 HG2 LYS A 91 33.684 4.513 -4.251 1.00 42.21 H new ATOM 0 HG3 LYS A 91 35.274 5.073 -4.731 1.00 42.21 H new ATOM 0 HD2 LYS A 91 32.673 6.653 -5.003 1.00 71.24 H new ATOM 0 HD3 LYS A 91 33.906 6.917 -3.786 1.00 71.24 H new ATOM 0 HE2 LYS A 91 34.214 7.320 -6.795 1.00 23.40 H new ATOM 0 HE3 LYS A 91 34.141 8.578 -5.576 1.00 23.40 H new ATOM 0 HZ1 LYS A 91 36.421 8.227 -6.141 1.00 43.01 H new ATOM 0 HZ2 LYS A 91 36.202 7.590 -4.582 1.00 43.01 H new ATOM 0 HZ3 LYS A 91 36.301 6.548 -5.919 1.00 43.01 H new TER 1361 LYS A 91