USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 530 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 72 GLN : amide:sc= -0.597 K(o=-0.64,f=-2.8) USER MOD Set 1.2: A 73 ASN : amide:sc= 0.26 K(o=-0.64,f=-2.5) USER MOD Set 1.3: A 76 LYS NZ :NH3+ 139:sc= -0.3 (180deg=0.352) USER MOD Set 2.1: A 30 THR OG1 : rot 170:sc= -1.29 USER MOD Set 2.2: A 80 GLN : amide:sc= -0.163 K(o=-1.5,f=-2.4) USER MOD Set 3.1: A 29 LYS NZ :NH3+ 180:sc= 0.971 (180deg=0) USER MOD Set 3.2: A 32 SER OG : rot -160:sc= 0.0139 USER MOD Single : A 23 HIS : no HE2:sc= -1.46 K(o=-1.5,f=-3.4) USER MOD Single : A 25 TYR OH : rot -159:sc= 0.461 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 110:sc= -0.817 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0832 USER MOD Single : A 47 TYR OH : rot 60:sc= -3.15 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -87:sc= 0.112 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -156:sc= -2.64 (180deg=-4.94!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.149 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -159:sc= -0.055 (180deg=-0.721) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 20 18.508 -8.833 20.401 1.00 55.43 N ATOM 2 CA LEU A 20 17.353 -8.500 19.573 1.00 43.21 C ATOM 3 C LEU A 20 16.761 -9.753 18.935 1.00 5.11 C ATOM 4 O LEU A 20 17.413 -10.791 18.828 1.00 73.23 O ATOM 5 CB LEU A 20 17.751 -7.499 18.487 1.00 11.11 C ATOM 6 CG LEU A 20 17.497 -6.026 18.806 1.00 55.02 C ATOM 7 CD1 LEU A 20 18.545 -5.501 19.774 1.00 60.10 C ATOM 8 CD2 LEU A 20 17.485 -5.198 17.529 1.00 13.12 C ATOM 0 HA LEU A 20 16.595 -8.049 20.214 1.00 43.21 H new ATOM 0 HB2 LEU A 20 18.813 -7.626 18.275 1.00 11.11 H new ATOM 0 HB3 LEU A 20 17.211 -7.751 17.574 1.00 11.11 H new ATOM 0 HG LEU A 20 16.519 -5.940 19.280 1.00 55.02 H new ATOM 0 HD11 LEU A 20 18.348 -4.451 19.989 1.00 60.10 H new ATOM 0 HD12 LEU A 20 18.505 -6.075 20.700 1.00 60.10 H new ATOM 0 HD13 LEU A 20 19.535 -5.600 19.328 1.00 60.10 H new ATOM 0 HD21 LEU A 20 17.303 -4.152 17.775 1.00 13.12 H new ATOM 0 HD22 LEU A 20 18.448 -5.290 17.027 1.00 13.12 H new ATOM 0 HD23 LEU A 20 16.696 -5.558 16.869 1.00 13.12 H new ATOM 20 N PRO A 21 15.497 -9.655 18.499 1.00 14.35 N ATOM 21 CA PRO A 21 14.790 -10.769 17.862 1.00 71.22 C ATOM 22 C PRO A 21 15.346 -11.092 16.479 1.00 73.23 C ATOM 23 O PRO A 21 15.676 -10.192 15.707 1.00 71.45 O ATOM 24 CB PRO A 21 13.350 -10.261 17.754 1.00 44.22 C ATOM 25 CG PRO A 21 13.472 -8.776 17.733 1.00 64.35 C ATOM 26 CD PRO A 21 14.660 -8.447 18.594 1.00 13.32 C ATOM 0 HA PRO A 21 14.888 -11.693 18.432 1.00 71.22 H new ATOM 0 HB2 PRO A 21 12.866 -10.631 16.850 1.00 44.22 H new ATOM 0 HB3 PRO A 21 12.748 -10.597 18.598 1.00 44.22 H new ATOM 0 HG2 PRO A 21 13.614 -8.410 16.716 1.00 64.35 H new ATOM 0 HG3 PRO A 21 12.568 -8.304 18.118 1.00 64.35 H new ATOM 0 HD2 PRO A 21 15.186 -7.564 18.231 1.00 13.32 H new ATOM 0 HD3 PRO A 21 14.366 -8.242 19.623 1.00 13.32 H new ATOM 34 N ALA A 22 15.445 -12.381 16.173 1.00 62.13 N ATOM 35 CA ALA A 22 15.958 -12.823 14.882 1.00 51.22 C ATOM 36 C ALA A 22 14.944 -13.704 14.159 1.00 3.21 C ATOM 37 O ALA A 22 13.989 -14.193 14.764 1.00 3.13 O ATOM 38 CB ALA A 22 17.272 -13.567 15.063 1.00 70.45 C ATOM 0 H ALA A 22 15.177 -13.138 16.802 1.00 62.13 H new ATOM 0 HA ALA A 22 16.135 -11.940 14.268 1.00 51.22 H new ATOM 0 HB1 ALA A 22 17.643 -13.891 14.091 1.00 70.45 H new ATOM 0 HB2 ALA A 22 18.003 -12.906 15.529 1.00 70.45 H new ATOM 0 HB3 ALA A 22 17.113 -14.438 15.699 1.00 70.45 H new ATOM 44 N HIS A 23 15.156 -13.901 12.862 1.00 61.32 N ATOM 45 CA HIS A 23 14.259 -14.723 12.058 1.00 71.21 C ATOM 46 C HIS A 23 14.992 -15.939 11.499 1.00 63.45 C ATOM 47 O HIS A 23 16.179 -15.884 11.173 1.00 30.35 O ATOM 48 CB HIS A 23 13.667 -13.900 10.914 1.00 33.32 C ATOM 49 CG HIS A 23 13.374 -12.479 11.287 1.00 63.12 C ATOM 50 ND1 HIS A 23 12.567 -12.132 12.350 1.00 63.03 N ATOM 51 CD2 HIS A 23 13.787 -11.316 10.734 1.00 53.42 C ATOM 52 CE1 HIS A 23 12.495 -10.815 12.433 1.00 72.14 C ATOM 53 NE2 HIS A 23 13.227 -10.296 11.464 1.00 41.34 N ATOM 0 H HIS A 23 15.940 -13.503 12.346 1.00 61.32 H new ATOM 0 HA HIS A 23 13.451 -15.071 12.701 1.00 71.21 H new ATOM 0 HB2 HIS A 23 14.360 -13.911 10.073 1.00 33.32 H new ATOM 0 HB3 HIS A 23 12.747 -14.375 10.574 1.00 33.32 H new ATOM 0 HD1 HIS A 23 12.099 -12.789 12.974 1.00 63.03 H new ATOM 0 HD2 HIS A 23 14.436 -11.209 9.878 1.00 53.42 H new ATOM 0 HE1 HIS A 23 11.933 -10.258 13.168 1.00 72.14 H new ATOM 61 N PRO A 24 14.272 -17.064 11.384 1.00 73.10 N ATOM 62 CA PRO A 24 14.833 -18.315 10.864 1.00 21.32 C ATOM 63 C PRO A 24 15.134 -18.239 9.372 1.00 53.10 C ATOM 64 O PRO A 24 14.506 -17.472 8.640 1.00 45.14 O ATOM 65 CB PRO A 24 13.729 -19.340 11.136 1.00 64.02 C ATOM 66 CG PRO A 24 12.473 -18.540 11.179 1.00 32.43 C ATOM 67 CD PRO A 24 12.852 -17.203 11.752 1.00 4.15 C ATOM 0 HA PRO A 24 15.786 -18.560 11.334 1.00 21.32 H new ATOM 0 HB2 PRO A 24 13.690 -20.097 10.353 1.00 64.02 H new ATOM 0 HB3 PRO A 24 13.898 -19.863 12.077 1.00 64.02 H new ATOM 0 HG2 PRO A 24 12.046 -18.430 10.182 1.00 32.43 H new ATOM 0 HG3 PRO A 24 11.720 -19.030 11.796 1.00 32.43 H new ATOM 0 HD2 PRO A 24 12.247 -16.400 11.331 1.00 4.15 H new ATOM 0 HD3 PRO A 24 12.712 -17.175 12.833 1.00 4.15 H new ATOM 75 N TYR A 25 16.096 -19.039 8.925 1.00 40.41 N ATOM 76 CA TYR A 25 16.481 -19.061 7.519 1.00 72.20 C ATOM 77 C TYR A 25 15.357 -19.628 6.656 1.00 44.30 C ATOM 78 O TYR A 25 15.183 -19.229 5.505 1.00 72.04 O ATOM 79 CB TYR A 25 17.753 -19.889 7.330 1.00 51.23 C ATOM 80 CG TYR A 25 18.214 -19.970 5.892 1.00 2.20 C ATOM 81 CD1 TYR A 25 17.636 -20.871 5.007 1.00 55.25 C ATOM 82 CD2 TYR A 25 19.228 -19.147 5.420 1.00 65.04 C ATOM 83 CE1 TYR A 25 18.054 -20.949 3.692 1.00 41.31 C ATOM 84 CE2 TYR A 25 19.653 -19.217 4.106 1.00 20.53 C ATOM 85 CZ TYR A 25 19.062 -20.119 3.247 1.00 71.12 C ATOM 86 OH TYR A 25 19.483 -20.193 1.939 1.00 74.25 O ATOM 0 H TYR A 25 16.624 -19.681 9.517 1.00 40.41 H new ATOM 0 HA TYR A 25 16.674 -18.035 7.204 1.00 72.20 H new ATOM 0 HB2 TYR A 25 18.551 -19.458 7.935 1.00 51.23 H new ATOM 0 HB3 TYR A 25 17.579 -20.898 7.704 1.00 51.23 H new ATOM 0 HD1 TYR A 25 16.846 -21.522 5.352 1.00 55.25 H new ATOM 0 HD2 TYR A 25 19.693 -18.440 6.091 1.00 65.04 H new ATOM 0 HE1 TYR A 25 17.594 -21.656 3.017 1.00 41.31 H new ATOM 0 HE2 TYR A 25 20.443 -18.569 3.755 1.00 20.53 H new ATOM 0 HH TYR A 25 20.384 -19.814 1.863 1.00 74.25 H new ATOM 96 N ASP A 26 14.599 -20.560 7.221 1.00 61.32 N ATOM 97 CA ASP A 26 13.492 -21.182 6.505 1.00 70.51 C ATOM 98 C ASP A 26 12.473 -20.136 6.065 1.00 72.00 C ATOM 99 O ASP A 26 11.761 -20.325 5.079 1.00 74.32 O ATOM 100 CB ASP A 26 12.813 -22.233 7.386 1.00 51.12 C ATOM 101 CG ASP A 26 12.415 -23.472 6.607 1.00 12.34 C ATOM 102 OD1 ASP A 26 13.297 -24.077 5.962 1.00 22.43 O ATOM 103 OD2 ASP A 26 11.221 -23.837 6.643 1.00 4.33 O ATOM 0 H ASP A 26 14.731 -20.902 8.173 1.00 61.32 H new ATOM 0 HA ASP A 26 13.894 -21.668 5.616 1.00 70.51 H new ATOM 0 HB2 ASP A 26 13.488 -22.516 8.194 1.00 51.12 H new ATOM 0 HB3 ASP A 26 11.927 -21.798 7.848 1.00 51.12 H new ATOM 108 N ARG A 27 12.410 -19.032 6.802 1.00 2.14 N ATOM 109 CA ARG A 27 11.477 -17.957 6.489 1.00 42.40 C ATOM 110 C ARG A 27 12.185 -16.819 5.759 1.00 0.11 C ATOM 111 O ARG A 27 11.575 -16.101 4.965 1.00 72.11 O ATOM 112 CB ARG A 27 10.825 -17.428 7.769 1.00 65.22 C ATOM 113 CG ARG A 27 9.779 -18.365 8.350 1.00 1.43 C ATOM 114 CD ARG A 27 8.539 -17.606 8.794 1.00 35.41 C ATOM 115 NE ARG A 27 8.544 -17.338 10.229 1.00 50.31 N ATOM 116 CZ ARG A 27 8.217 -18.240 11.147 1.00 41.01 C ATOM 117 NH1 ARG A 27 7.862 -19.464 10.782 1.00 14.51 N ATOM 118 NH2 ARG A 27 8.247 -17.920 12.435 1.00 44.14 N ATOM 0 H ARG A 27 12.994 -18.859 7.620 1.00 2.14 H new ATOM 0 HA ARG A 27 10.703 -18.360 5.836 1.00 42.40 H new ATOM 0 HB2 ARG A 27 11.599 -17.253 8.516 1.00 65.22 H new ATOM 0 HB3 ARG A 27 10.361 -16.464 7.559 1.00 65.22 H new ATOM 0 HG2 ARG A 27 9.503 -19.111 7.605 1.00 1.43 H new ATOM 0 HG3 ARG A 27 10.202 -18.903 9.199 1.00 1.43 H new ATOM 0 HD2 ARG A 27 8.477 -16.664 8.250 1.00 35.41 H new ATOM 0 HD3 ARG A 27 7.650 -18.182 8.536 1.00 35.41 H new ATOM 0 HE ARG A 27 8.814 -16.406 10.544 1.00 50.31 H new ATOM 0 HH11 ARG A 27 7.840 -19.715 9.794 1.00 14.51 H new ATOM 0 HH12 ARG A 27 7.611 -20.155 11.490 1.00 14.51 H new ATOM 0 HH21 ARG A 27 8.522 -16.980 12.721 1.00 44.14 H new ATOM 0 HH22 ARG A 27 7.996 -18.614 13.139 1.00 44.14 H new ATOM 132 N LEU A 28 13.475 -16.659 6.033 1.00 33.23 N ATOM 133 CA LEU A 28 14.266 -15.607 5.403 1.00 32.22 C ATOM 134 C LEU A 28 14.816 -16.073 4.059 1.00 11.40 C ATOM 135 O LEU A 28 15.342 -17.179 3.939 1.00 33.35 O ATOM 136 CB LEU A 28 15.417 -15.189 6.320 1.00 31.05 C ATOM 137 CG LEU A 28 15.781 -13.703 6.305 1.00 33.33 C ATOM 138 CD1 LEU A 28 14.873 -12.922 7.242 1.00 21.01 C ATOM 139 CD2 LEU A 28 17.241 -13.509 6.687 1.00 53.41 C ATOM 0 H LEU A 28 13.995 -17.244 6.687 1.00 33.23 H new ATOM 0 HA LEU A 28 13.616 -14.749 5.232 1.00 32.22 H new ATOM 0 HB2 LEU A 28 15.162 -15.470 7.342 1.00 31.05 H new ATOM 0 HB3 LEU A 28 16.302 -15.762 6.044 1.00 31.05 H new ATOM 0 HG LEU A 28 15.637 -13.322 5.294 1.00 33.33 H new ATOM 0 HD11 LEU A 28 15.147 -11.867 7.218 1.00 21.01 H new ATOM 0 HD12 LEU A 28 13.837 -13.035 6.923 1.00 21.01 H new ATOM 0 HD13 LEU A 28 14.984 -13.303 8.257 1.00 21.01 H new ATOM 0 HD21 LEU A 28 17.483 -12.446 6.671 1.00 53.41 H new ATOM 0 HD22 LEU A 28 17.411 -13.905 7.688 1.00 53.41 H new ATOM 0 HD23 LEU A 28 17.876 -14.036 5.976 1.00 53.41 H new ATOM 151 N LYS A 29 14.695 -15.218 3.048 1.00 72.32 N ATOM 152 CA LYS A 29 15.183 -15.538 1.712 1.00 31.31 C ATOM 153 C LYS A 29 16.068 -14.418 1.173 1.00 73.30 C ATOM 154 O LYS A 29 16.189 -13.359 1.788 1.00 44.51 O ATOM 155 CB LYS A 29 14.007 -15.777 0.761 1.00 4.33 C ATOM 156 CG LYS A 29 14.265 -16.868 -0.263 1.00 60.52 C ATOM 157 CD LYS A 29 13.986 -16.386 -1.676 1.00 71.11 C ATOM 158 CE LYS A 29 12.573 -16.739 -2.116 1.00 55.14 C ATOM 159 NZ LYS A 29 11.642 -15.586 -1.968 1.00 52.21 N ATOM 0 H LYS A 29 14.263 -14.298 3.129 1.00 72.32 H new ATOM 0 HA LYS A 29 15.779 -16.448 1.778 1.00 31.31 H new ATOM 0 HB2 LYS A 29 13.126 -16.040 1.346 1.00 4.33 H new ATOM 0 HB3 LYS A 29 13.778 -14.848 0.239 1.00 4.33 H new ATOM 0 HG2 LYS A 29 15.301 -17.200 -0.189 1.00 60.52 H new ATOM 0 HG3 LYS A 29 13.637 -17.731 -0.042 1.00 60.52 H new ATOM 0 HD2 LYS A 29 14.125 -15.306 -1.727 1.00 71.11 H new ATOM 0 HD3 LYS A 29 14.705 -16.833 -2.363 1.00 71.11 H new ATOM 0 HE2 LYS A 29 12.587 -17.063 -3.157 1.00 55.14 H new ATOM 0 HE3 LYS A 29 12.208 -17.579 -1.525 1.00 55.14 H new ATOM 0 HZ1 LYS A 29 10.690 -15.867 -2.278 1.00 52.21 H new ATOM 0 HZ2 LYS A 29 11.609 -15.292 -0.971 1.00 52.21 H new ATOM 0 HZ3 LYS A 29 11.976 -14.793 -2.552 1.00 52.21 H new ATOM 173 N THR A 30 16.683 -14.659 0.019 1.00 35.50 N ATOM 174 CA THR A 30 17.555 -13.672 -0.603 1.00 11.44 C ATOM 175 C THR A 30 16.758 -12.471 -1.103 1.00 64.22 C ATOM 176 O THR A 30 17.184 -11.326 -0.956 1.00 5.35 O ATOM 177 CB THR A 30 18.340 -14.279 -1.781 1.00 2.32 C ATOM 178 OG1 THR A 30 18.235 -15.707 -1.755 1.00 45.32 O ATOM 179 CG2 THR A 30 19.805 -13.871 -1.721 1.00 20.25 C ATOM 0 H THR A 30 16.593 -15.530 -0.503 1.00 35.50 H new ATOM 0 HA THR A 30 18.258 -13.345 0.163 1.00 11.44 H new ATOM 0 HB THR A 30 17.912 -13.901 -2.709 1.00 2.32 H new ATOM 0 HG1 THR A 30 18.596 -16.077 -2.588 1.00 45.32 H new ATOM 0 HG21 THR A 30 20.340 -14.311 -2.563 1.00 20.25 H new ATOM 0 HG22 THR A 30 19.882 -12.785 -1.770 1.00 20.25 H new ATOM 0 HG23 THR A 30 20.243 -14.224 -0.788 1.00 20.25 H new ATOM 187 N THR A 31 15.599 -12.742 -1.694 1.00 10.41 N ATOM 188 CA THR A 31 14.743 -11.684 -2.216 1.00 13.32 C ATOM 189 C THR A 31 13.318 -11.821 -1.694 1.00 62.40 C ATOM 190 O THR A 31 12.354 -11.677 -2.446 1.00 60.02 O ATOM 191 CB THR A 31 14.716 -11.692 -3.757 1.00 5.22 C ATOM 192 OG1 THR A 31 14.474 -13.019 -4.235 1.00 45.34 O ATOM 193 CG2 THR A 31 16.029 -11.173 -4.323 1.00 22.20 C ATOM 0 H THR A 31 15.231 -13.685 -1.823 1.00 10.41 H new ATOM 0 HA THR A 31 15.164 -10.739 -1.872 1.00 13.32 H new ATOM 0 HB THR A 31 13.912 -11.035 -4.089 1.00 5.22 H new ATOM 0 HG1 THR A 31 14.457 -13.016 -5.215 1.00 45.34 H new ATOM 0 HG21 THR A 31 15.987 -11.188 -5.412 1.00 22.20 H new ATOM 0 HG22 THR A 31 16.195 -10.152 -3.980 1.00 22.20 H new ATOM 0 HG23 THR A 31 16.848 -11.807 -3.983 1.00 22.20 H new ATOM 201 N SER A 32 13.191 -12.100 -0.401 1.00 24.42 N ATOM 202 CA SER A 32 11.883 -12.261 0.222 1.00 32.24 C ATOM 203 C SER A 32 11.433 -10.961 0.885 1.00 72.14 C ATOM 204 O SER A 32 12.241 -10.231 1.458 1.00 11.32 O ATOM 205 CB SER A 32 11.921 -13.386 1.257 1.00 21.50 C ATOM 206 OG SER A 32 11.384 -14.586 0.727 1.00 71.32 O ATOM 0 H SER A 32 13.979 -12.219 0.236 1.00 24.42 H new ATOM 0 HA SER A 32 11.167 -12.519 -0.558 1.00 32.24 H new ATOM 0 HB2 SER A 32 12.949 -13.555 1.578 1.00 21.50 H new ATOM 0 HB3 SER A 32 11.356 -13.090 2.141 1.00 21.50 H new ATOM 0 HG SER A 32 11.125 -15.181 1.461 1.00 71.32 H new ATOM 212 N THR A 33 10.136 -10.680 0.801 1.00 31.03 N ATOM 213 CA THR A 33 9.577 -9.469 1.390 1.00 43.45 C ATOM 214 C THR A 33 8.924 -9.763 2.734 1.00 24.52 C ATOM 215 O THR A 33 8.129 -8.968 3.237 1.00 51.14 O ATOM 216 CB THR A 33 8.538 -8.819 0.457 1.00 21.23 C ATOM 217 OG1 THR A 33 7.604 -9.805 0.002 1.00 62.42 O ATOM 218 CG2 THR A 33 9.215 -8.165 -0.737 1.00 64.53 C ATOM 0 H THR A 33 9.453 -11.274 0.331 1.00 31.03 H new ATOM 0 HA THR A 33 10.406 -8.776 1.536 1.00 43.45 H new ATOM 0 HB THR A 33 8.009 -8.050 1.019 1.00 21.23 H new ATOM 0 HG1 THR A 33 6.946 -9.384 -0.589 1.00 62.42 H new ATOM 0 HG21 THR A 33 8.460 -7.713 -1.381 1.00 64.53 H new ATOM 0 HG22 THR A 33 9.903 -7.395 -0.388 1.00 64.53 H new ATOM 0 HG23 THR A 33 9.768 -8.918 -1.299 1.00 64.53 H new ATOM 226 N ASP A 34 9.264 -10.909 3.314 1.00 22.24 N ATOM 227 CA ASP A 34 8.711 -11.307 4.604 1.00 52.04 C ATOM 228 C ASP A 34 8.896 -10.202 5.639 1.00 12.13 C ATOM 229 O ASP A 34 9.732 -9.311 5.489 1.00 52.21 O ATOM 230 CB ASP A 34 9.374 -12.596 5.091 1.00 23.35 C ATOM 231 CG ASP A 34 8.534 -13.825 4.803 1.00 60.13 C ATOM 232 OD1 ASP A 34 8.602 -14.337 3.666 1.00 44.24 O ATOM 233 OD2 ASP A 34 7.809 -14.275 5.715 1.00 44.41 O ATOM 0 H ASP A 34 9.920 -11.579 2.912 1.00 22.24 H new ATOM 0 HA ASP A 34 7.643 -11.483 4.475 1.00 52.04 H new ATOM 0 HB2 ASP A 34 10.347 -12.704 4.611 1.00 23.35 H new ATOM 0 HB3 ASP A 34 9.554 -12.526 6.164 1.00 23.35 H new ATOM 238 N PRO A 35 8.096 -10.258 6.715 1.00 65.54 N ATOM 239 CA PRO A 35 8.153 -9.271 7.796 1.00 52.34 C ATOM 240 C PRO A 35 9.433 -9.383 8.618 1.00 0.05 C ATOM 241 O PRO A 35 10.042 -10.451 8.695 1.00 11.35 O ATOM 242 CB PRO A 35 6.934 -9.614 8.655 1.00 14.01 C ATOM 243 CG PRO A 35 6.678 -11.058 8.390 1.00 5.01 C ATOM 244 CD PRO A 35 7.078 -11.293 6.959 1.00 31.14 C ATOM 0 HA PRO A 35 8.149 -8.250 7.415 1.00 52.34 H new ATOM 0 HB2 PRO A 35 7.131 -9.434 9.712 1.00 14.01 H new ATOM 0 HB3 PRO A 35 6.073 -9.003 8.383 1.00 14.01 H new ATOM 0 HG2 PRO A 35 7.257 -11.688 9.066 1.00 5.01 H new ATOM 0 HG3 PRO A 35 5.628 -11.304 8.547 1.00 5.01 H new ATOM 0 HD2 PRO A 35 7.481 -12.295 6.814 1.00 31.14 H new ATOM 0 HD3 PRO A 35 6.230 -11.190 6.282 1.00 31.14 H new ATOM 252 N VAL A 36 9.835 -8.275 9.233 1.00 13.51 N ATOM 253 CA VAL A 36 11.041 -8.250 10.051 1.00 44.32 C ATOM 254 C VAL A 36 10.820 -7.453 11.332 1.00 63.42 C ATOM 255 O VAL A 36 9.781 -6.817 11.508 1.00 60.40 O ATOM 256 CB VAL A 36 12.229 -7.642 9.282 1.00 71.54 C ATOM 257 CG1 VAL A 36 12.864 -8.684 8.371 1.00 21.44 C ATOM 258 CG2 VAL A 36 11.781 -6.428 8.483 1.00 4.50 C ATOM 0 H VAL A 36 9.343 -7.383 9.180 1.00 13.51 H new ATOM 0 HA VAL A 36 11.272 -9.285 10.304 1.00 44.32 H new ATOM 0 HB VAL A 36 12.979 -7.318 10.003 1.00 71.54 H new ATOM 0 HG11 VAL A 36 13.702 -8.237 7.835 1.00 21.44 H new ATOM 0 HG12 VAL A 36 13.222 -9.521 8.970 1.00 21.44 H new ATOM 0 HG13 VAL A 36 12.124 -9.040 7.655 1.00 21.44 H new ATOM 0 HG21 VAL A 36 12.633 -6.011 7.946 1.00 4.50 H new ATOM 0 HG22 VAL A 36 11.013 -6.725 7.769 1.00 4.50 H new ATOM 0 HG23 VAL A 36 11.376 -5.676 9.160 1.00 4.50 H new ATOM 268 N SER A 37 11.804 -7.493 12.224 1.00 44.31 N ATOM 269 CA SER A 37 11.716 -6.777 13.492 1.00 41.42 C ATOM 270 C SER A 37 12.264 -5.359 13.355 1.00 75.23 C ATOM 271 O SER A 37 12.486 -4.669 14.349 1.00 44.04 O ATOM 272 CB SER A 37 12.483 -7.529 14.581 1.00 45.23 C ATOM 273 OG SER A 37 11.651 -7.802 15.694 1.00 72.41 O ATOM 0 H SER A 37 12.671 -8.013 12.093 1.00 44.31 H new ATOM 0 HA SER A 37 10.665 -6.716 13.774 1.00 41.42 H new ATOM 0 HB2 SER A 37 12.873 -8.463 14.177 1.00 45.23 H new ATOM 0 HB3 SER A 37 13.341 -6.937 14.901 1.00 45.23 H new ATOM 0 HG SER A 37 11.467 -8.764 15.737 1.00 72.41 H new ATOM 279 N ASP A 38 12.477 -4.932 12.115 1.00 43.23 N ATOM 280 CA ASP A 38 12.998 -3.597 11.845 1.00 5.22 C ATOM 281 C ASP A 38 14.436 -3.465 12.337 1.00 2.53 C ATOM 282 O ASP A 38 14.710 -2.743 13.297 1.00 30.52 O ATOM 283 CB ASP A 38 12.118 -2.538 12.513 1.00 64.42 C ATOM 284 CG ASP A 38 10.641 -2.858 12.396 1.00 31.02 C ATOM 285 OD1 ASP A 38 10.111 -2.811 11.267 1.00 75.52 O ATOM 286 OD2 ASP A 38 10.015 -3.155 13.435 1.00 11.25 O ATOM 0 H ASP A 38 12.297 -5.491 11.281 1.00 43.23 H new ATOM 0 HA ASP A 38 12.986 -3.441 10.766 1.00 5.22 H new ATOM 0 HB2 ASP A 38 12.387 -2.457 13.566 1.00 64.42 H new ATOM 0 HB3 ASP A 38 12.314 -1.567 12.058 1.00 64.42 H new ATOM 291 N ILE A 39 15.350 -4.166 11.676 1.00 51.23 N ATOM 292 CA ILE A 39 16.758 -4.126 12.046 1.00 64.14 C ATOM 293 C ILE A 39 17.622 -3.662 10.878 1.00 54.12 C ATOM 294 O ILE A 39 17.108 -3.195 9.860 1.00 70.32 O ATOM 295 CB ILE A 39 17.255 -5.505 12.520 1.00 44.43 C ATOM 296 CG1 ILE A 39 16.166 -6.560 12.321 1.00 34.33 C ATOM 297 CG2 ILE A 39 17.679 -5.442 13.979 1.00 31.51 C ATOM 298 CD1 ILE A 39 16.564 -7.939 12.799 1.00 10.12 C ATOM 0 H ILE A 39 15.140 -4.769 10.881 1.00 51.23 H new ATOM 0 HA ILE A 39 16.847 -3.414 12.866 1.00 64.14 H new ATOM 0 HB ILE A 39 18.121 -5.788 11.922 1.00 44.43 H new ATOM 0 HG12 ILE A 39 15.267 -6.246 12.851 1.00 34.33 H new ATOM 0 HG13 ILE A 39 15.910 -6.611 11.263 1.00 34.33 H new ATOM 0 HG21 ILE A 39 18.028 -6.424 14.299 1.00 31.51 H new ATOM 0 HG22 ILE A 39 18.484 -4.716 14.093 1.00 31.51 H new ATOM 0 HG23 ILE A 39 16.830 -5.141 14.592 1.00 31.51 H new ATOM 0 HD11 ILE A 39 15.743 -8.635 12.626 1.00 10.12 H new ATOM 0 HD12 ILE A 39 17.445 -8.274 12.251 1.00 10.12 H new ATOM 0 HD13 ILE A 39 16.791 -7.903 13.864 1.00 10.12 H new ATOM 310 N ASP A 40 18.935 -3.795 11.029 1.00 50.42 N ATOM 311 CA ASP A 40 19.870 -3.392 9.986 1.00 53.13 C ATOM 312 C ASP A 40 19.414 -3.901 8.621 1.00 21.52 C ATOM 313 O ASP A 40 19.639 -5.060 8.273 1.00 74.43 O ATOM 314 CB ASP A 40 21.273 -3.917 10.297 1.00 74.22 C ATOM 315 CG ASP A 40 21.984 -3.081 11.343 1.00 33.40 C ATOM 316 OD1 ASP A 40 22.493 -3.664 12.322 1.00 64.01 O ATOM 317 OD2 ASP A 40 22.032 -1.843 11.181 1.00 63.53 O ATOM 0 H ASP A 40 19.376 -4.179 11.865 1.00 50.42 H new ATOM 0 HA ASP A 40 19.896 -2.303 9.958 1.00 53.13 H new ATOM 0 HB2 ASP A 40 21.203 -4.948 10.645 1.00 74.22 H new ATOM 0 HB3 ASP A 40 21.865 -3.929 9.382 1.00 74.22 H new ATOM 322 N VAL A 41 18.772 -3.027 7.853 1.00 12.42 N ATOM 323 CA VAL A 41 18.285 -3.387 6.527 1.00 32.40 C ATOM 324 C VAL A 41 19.425 -3.856 5.631 1.00 3.11 C ATOM 325 O VAL A 41 19.308 -4.863 4.932 1.00 65.52 O ATOM 326 CB VAL A 41 17.568 -2.203 5.851 1.00 24.13 C ATOM 327 CG1 VAL A 41 17.117 -2.582 4.449 1.00 0.42 C ATOM 328 CG2 VAL A 41 16.388 -1.744 6.694 1.00 52.15 C ATOM 0 H VAL A 41 18.577 -2.064 8.127 1.00 12.42 H new ATOM 0 HA VAL A 41 17.574 -4.203 6.662 1.00 32.40 H new ATOM 0 HB VAL A 41 18.271 -1.374 5.769 1.00 24.13 H new ATOM 0 HG11 VAL A 41 16.613 -1.733 3.987 1.00 0.42 H new ATOM 0 HG12 VAL A 41 17.985 -2.858 3.850 1.00 0.42 H new ATOM 0 HG13 VAL A 41 16.430 -3.426 4.504 1.00 0.42 H new ATOM 0 HG21 VAL A 41 15.893 -0.907 6.202 1.00 52.15 H new ATOM 0 HG22 VAL A 41 15.682 -2.566 6.810 1.00 52.15 H new ATOM 0 HG23 VAL A 41 16.743 -1.429 7.676 1.00 52.15 H new ATOM 338 N THR A 42 20.531 -3.119 5.655 1.00 5.42 N ATOM 339 CA THR A 42 21.694 -3.457 4.845 1.00 61.11 C ATOM 340 C THR A 42 22.315 -4.774 5.298 1.00 44.14 C ATOM 341 O THR A 42 23.098 -5.384 4.570 1.00 40.45 O ATOM 342 CB THR A 42 22.763 -2.350 4.906 1.00 41.31 C ATOM 343 OG1 THR A 42 22.716 -1.694 6.178 1.00 62.01 O ATOM 344 CG2 THR A 42 22.553 -1.332 3.796 1.00 13.21 C ATOM 0 H THR A 42 20.645 -2.283 6.228 1.00 5.42 H new ATOM 0 HA THR A 42 21.345 -3.557 3.817 1.00 61.11 H new ATOM 0 HB THR A 42 23.741 -2.812 4.772 1.00 41.31 H new ATOM 0 HG1 THR A 42 23.400 -0.993 6.210 1.00 62.01 H new ATOM 0 HG21 THR A 42 23.320 -0.560 3.860 1.00 13.21 H new ATOM 0 HG22 THR A 42 22.619 -1.830 2.829 1.00 13.21 H new ATOM 0 HG23 THR A 42 21.569 -0.875 3.903 1.00 13.21 H new ATOM 352 N ARG A 43 21.960 -5.206 6.503 1.00 2.11 N ATOM 353 CA ARG A 43 22.484 -6.451 7.053 1.00 72.34 C ATOM 354 C ARG A 43 21.356 -7.442 7.323 1.00 31.55 C ATOM 355 O ARG A 43 21.330 -8.099 8.365 1.00 50.14 O ATOM 356 CB ARG A 43 23.258 -6.177 8.343 1.00 21.22 C ATOM 357 CG ARG A 43 24.217 -5.002 8.240 1.00 23.31 C ATOM 358 CD ARG A 43 25.119 -4.912 9.461 1.00 12.31 C ATOM 359 NE ARG A 43 24.836 -3.725 10.265 1.00 72.41 N ATOM 360 CZ ARG A 43 25.187 -2.495 9.907 1.00 20.23 C ATOM 361 NH1 ARG A 43 25.831 -2.290 8.766 1.00 24.44 N ATOM 362 NH2 ARG A 43 24.893 -1.465 10.692 1.00 70.44 N ATOM 0 H ARG A 43 21.312 -4.713 7.117 1.00 2.11 H new ATOM 0 HA ARG A 43 23.160 -6.888 6.319 1.00 72.34 H new ATOM 0 HB2 ARG A 43 22.549 -5.987 9.149 1.00 21.22 H new ATOM 0 HB3 ARG A 43 23.819 -7.070 8.617 1.00 21.22 H new ATOM 0 HG2 ARG A 43 24.827 -5.106 7.342 1.00 23.31 H new ATOM 0 HG3 ARG A 43 23.651 -4.077 8.135 1.00 23.31 H new ATOM 0 HD2 ARG A 43 24.990 -5.804 10.074 1.00 12.31 H new ATOM 0 HD3 ARG A 43 26.161 -4.893 9.141 1.00 12.31 H new ATOM 0 HE ARG A 43 24.342 -3.848 11.149 1.00 72.41 H new ATOM 0 HH11 ARG A 43 26.058 -3.078 8.160 1.00 24.44 H new ATOM 0 HH12 ARG A 43 26.099 -1.344 8.494 1.00 24.44 H new ATOM 0 HH21 ARG A 43 24.397 -1.618 11.570 1.00 70.44 H new ATOM 0 HH22 ARG A 43 25.163 -0.521 10.417 1.00 70.44 H new ATOM 376 N ARG A 44 20.424 -7.545 6.381 1.00 2.43 N ATOM 377 CA ARG A 44 19.294 -8.454 6.520 1.00 52.31 C ATOM 378 C ARG A 44 19.767 -9.861 6.872 1.00 43.50 C ATOM 379 O ARG A 44 19.139 -10.555 7.671 1.00 75.03 O ATOM 380 CB ARG A 44 18.478 -8.488 5.226 1.00 40.31 C ATOM 381 CG ARG A 44 17.240 -9.366 5.309 1.00 51.44 C ATOM 382 CD ARG A 44 15.966 -8.546 5.186 1.00 12.12 C ATOM 383 NE ARG A 44 15.564 -8.364 3.794 1.00 33.34 N ATOM 384 CZ ARG A 44 15.127 -9.352 3.020 1.00 21.13 C ATOM 385 NH1 ARG A 44 15.037 -10.584 3.501 1.00 31.24 N ATOM 386 NH2 ARG A 44 14.778 -9.108 1.764 1.00 43.24 N ATOM 0 H ARG A 44 20.430 -7.009 5.513 1.00 2.43 H new ATOM 0 HA ARG A 44 18.664 -8.088 7.331 1.00 52.31 H new ATOM 0 HB2 ARG A 44 18.176 -7.472 4.970 1.00 40.31 H new ATOM 0 HB3 ARG A 44 19.113 -8.846 4.415 1.00 40.31 H new ATOM 0 HG2 ARG A 44 17.270 -10.115 4.517 1.00 51.44 H new ATOM 0 HG3 ARG A 44 17.237 -9.904 6.257 1.00 51.44 H new ATOM 0 HD2 ARG A 44 15.163 -9.040 5.734 1.00 12.12 H new ATOM 0 HD3 ARG A 44 16.116 -7.571 5.650 1.00 12.12 H new ATOM 0 HE ARG A 44 15.622 -7.428 3.394 1.00 33.34 H new ATOM 0 HH11 ARG A 44 15.303 -10.775 4.467 1.00 31.24 H new ATOM 0 HH12 ARG A 44 14.701 -11.341 2.905 1.00 31.24 H new ATOM 0 HH21 ARG A 44 14.845 -8.161 1.391 1.00 43.24 H new ATOM 0 HH22 ARG A 44 14.443 -9.867 1.171 1.00 43.24 H new ATOM 400 N GLU A 45 20.878 -10.274 6.270 1.00 43.15 N ATOM 401 CA GLU A 45 21.435 -11.598 6.520 1.00 73.10 C ATOM 402 C GLU A 45 21.713 -11.800 8.007 1.00 13.12 C ATOM 403 O GLU A 45 21.655 -12.919 8.514 1.00 65.52 O ATOM 404 CB GLU A 45 22.722 -11.795 5.717 1.00 22.42 C ATOM 405 CG GLU A 45 23.687 -10.626 5.820 1.00 63.21 C ATOM 406 CD GLU A 45 25.119 -11.071 6.045 1.00 44.31 C ATOM 407 OE1 GLU A 45 25.496 -12.142 5.526 1.00 32.40 O ATOM 408 OE2 GLU A 45 25.863 -10.348 6.740 1.00 24.23 O ATOM 0 H GLU A 45 21.410 -9.711 5.606 1.00 43.15 H new ATOM 0 HA GLU A 45 20.701 -12.338 6.202 1.00 73.10 H new ATOM 0 HB2 GLU A 45 23.222 -12.700 6.063 1.00 22.42 H new ATOM 0 HB3 GLU A 45 22.466 -11.953 4.669 1.00 22.42 H new ATOM 0 HG2 GLU A 45 23.634 -10.034 4.906 1.00 63.21 H new ATOM 0 HG3 GLU A 45 23.379 -9.976 6.639 1.00 63.21 H new ATOM 415 N ALA A 46 22.016 -10.707 8.699 1.00 11.14 N ATOM 416 CA ALA A 46 22.302 -10.761 10.127 1.00 23.41 C ATOM 417 C ALA A 46 21.036 -11.040 10.931 1.00 54.12 C ATOM 418 O ALA A 46 21.100 -11.370 12.115 1.00 63.14 O ATOM 419 CB ALA A 46 22.946 -9.463 10.587 1.00 11.32 C ATOM 0 H ALA A 46 22.070 -9.773 8.293 1.00 11.14 H new ATOM 0 HA ALA A 46 22.999 -11.580 10.301 1.00 23.41 H new ATOM 0 HB1 ALA A 46 23.154 -9.519 11.656 1.00 11.32 H new ATOM 0 HB2 ALA A 46 23.878 -9.307 10.044 1.00 11.32 H new ATOM 0 HB3 ALA A 46 22.269 -8.632 10.392 1.00 11.32 H new ATOM 425 N TYR A 47 19.886 -10.904 10.280 1.00 50.32 N ATOM 426 CA TYR A 47 18.605 -11.137 10.935 1.00 20.25 C ATOM 427 C TYR A 47 18.504 -12.574 11.437 1.00 31.31 C ATOM 428 O TYR A 47 17.629 -12.905 12.239 1.00 14.44 O ATOM 429 CB TYR A 47 17.454 -10.840 9.972 1.00 4.22 C ATOM 430 CG TYR A 47 17.357 -9.385 9.576 1.00 43.54 C ATOM 431 CD1 TYR A 47 16.422 -8.960 8.640 1.00 42.40 C ATOM 432 CD2 TYR A 47 18.202 -8.434 10.135 1.00 2.52 C ATOM 433 CE1 TYR A 47 16.330 -7.631 8.273 1.00 23.14 C ATOM 434 CE2 TYR A 47 18.117 -7.102 9.776 1.00 30.12 C ATOM 435 CZ TYR A 47 17.179 -6.706 8.845 1.00 41.24 C ATOM 436 OH TYR A 47 17.092 -5.381 8.484 1.00 65.11 O ATOM 0 H TYR A 47 19.815 -10.634 9.299 1.00 50.32 H new ATOM 0 HA TYR A 47 18.536 -10.466 11.791 1.00 20.25 H new ATOM 0 HB2 TYR A 47 17.578 -11.445 9.074 1.00 4.22 H new ATOM 0 HB3 TYR A 47 16.516 -11.145 10.435 1.00 4.22 H new ATOM 0 HD1 TYR A 47 15.755 -9.681 8.191 1.00 42.40 H new ATOM 0 HD2 TYR A 47 18.938 -8.741 10.863 1.00 2.52 H new ATOM 0 HE1 TYR A 47 15.598 -7.318 7.543 1.00 23.14 H new ATOM 0 HE2 TYR A 47 18.781 -6.376 10.221 1.00 30.12 H new ATOM 0 HH TYR A 47 16.196 -5.043 8.693 1.00 65.11 H new ATOM 446 N LEU A 48 19.406 -13.425 10.961 1.00 74.13 N ATOM 447 CA LEU A 48 19.421 -14.828 11.361 1.00 50.10 C ATOM 448 C LEU A 48 20.203 -15.016 12.656 1.00 64.53 C ATOM 449 O LEU A 48 21.053 -14.197 13.005 1.00 31.10 O ATOM 450 CB LEU A 48 20.032 -15.688 10.253 1.00 20.11 C ATOM 451 CG LEU A 48 19.059 -16.585 9.486 1.00 24.02 C ATOM 452 CD1 LEU A 48 19.742 -17.197 8.273 1.00 74.53 C ATOM 453 CD2 LEU A 48 18.508 -17.673 10.395 1.00 31.54 C ATOM 0 H LEU A 48 20.137 -13.168 10.297 1.00 74.13 H new ATOM 0 HA LEU A 48 18.391 -15.143 11.531 1.00 50.10 H new ATOM 0 HB2 LEU A 48 20.526 -15.029 9.540 1.00 20.11 H new ATOM 0 HB3 LEU A 48 20.805 -16.318 10.694 1.00 20.11 H new ATOM 0 HG LEU A 48 18.226 -15.973 9.139 1.00 24.02 H new ATOM 0 HD11 LEU A 48 19.035 -17.832 7.739 1.00 74.53 H new ATOM 0 HD12 LEU A 48 20.088 -16.403 7.611 1.00 74.53 H new ATOM 0 HD13 LEU A 48 20.593 -17.795 8.598 1.00 74.53 H new ATOM 0 HD21 LEU A 48 17.818 -18.302 9.833 1.00 31.54 H new ATOM 0 HD22 LEU A 48 19.329 -18.283 10.772 1.00 31.54 H new ATOM 0 HD23 LEU A 48 17.982 -17.215 11.233 1.00 31.54 H new ATOM 465 N SER A 49 19.911 -16.103 13.365 1.00 3.11 N ATOM 466 CA SER A 49 20.586 -16.399 14.623 1.00 4.14 C ATOM 467 C SER A 49 22.071 -16.667 14.394 1.00 55.54 C ATOM 468 O SER A 49 22.477 -17.091 13.312 1.00 34.43 O ATOM 469 CB SER A 49 19.937 -17.606 15.303 1.00 45.43 C ATOM 470 OG SER A 49 18.709 -17.249 15.912 1.00 22.03 O ATOM 0 H SER A 49 19.212 -16.792 13.089 1.00 3.11 H new ATOM 0 HA SER A 49 20.488 -15.529 15.272 1.00 4.14 H new ATOM 0 HB2 SER A 49 19.767 -18.393 14.568 1.00 45.43 H new ATOM 0 HB3 SER A 49 20.615 -18.012 16.054 1.00 45.43 H new ATOM 0 HG SER A 49 18.314 -18.038 16.338 1.00 22.03 H new ATOM 476 N SER A 50 22.876 -16.415 15.420 1.00 64.31 N ATOM 477 CA SER A 50 24.317 -16.624 15.331 1.00 62.52 C ATOM 478 C SER A 50 24.631 -18.043 14.863 1.00 53.42 C ATOM 479 O SER A 50 25.651 -18.283 14.217 1.00 3.55 O ATOM 480 CB SER A 50 24.977 -16.365 16.687 1.00 53.33 C ATOM 481 OG SER A 50 24.017 -16.365 17.729 1.00 5.54 O ATOM 0 H SER A 50 22.556 -16.066 16.323 1.00 64.31 H new ATOM 0 HA SER A 50 24.717 -15.921 14.601 1.00 62.52 H new ATOM 0 HB2 SER A 50 25.729 -17.130 16.881 1.00 53.33 H new ATOM 0 HB3 SER A 50 25.495 -15.406 16.666 1.00 53.33 H new ATOM 0 HG SER A 50 23.639 -15.466 17.825 1.00 5.54 H new ATOM 487 N GLU A 51 23.746 -18.978 15.193 1.00 51.31 N ATOM 488 CA GLU A 51 23.930 -20.372 14.808 1.00 53.24 C ATOM 489 C GLU A 51 23.587 -20.579 13.335 1.00 71.11 C ATOM 490 O GLU A 51 24.416 -21.043 12.554 1.00 65.05 O ATOM 491 CB GLU A 51 23.061 -21.283 15.678 1.00 64.55 C ATOM 492 CG GLU A 51 23.138 -20.964 17.160 1.00 4.25 C ATOM 493 CD GLU A 51 22.820 -22.162 18.033 1.00 11.34 C ATOM 494 OE1 GLU A 51 23.374 -23.249 17.773 1.00 5.20 O ATOM 495 OE2 GLU A 51 22.016 -22.012 18.977 1.00 55.42 O ATOM 0 H GLU A 51 22.895 -18.796 15.726 1.00 51.31 H new ATOM 0 HA GLU A 51 24.978 -20.629 14.959 1.00 53.24 H new ATOM 0 HB2 GLU A 51 22.024 -21.202 15.351 1.00 64.55 H new ATOM 0 HB3 GLU A 51 23.365 -22.318 15.522 1.00 64.55 H new ATOM 0 HG2 GLU A 51 24.138 -20.601 17.398 1.00 4.25 H new ATOM 0 HG3 GLU A 51 22.443 -20.157 17.390 1.00 4.25 H new ATOM 502 N GLU A 52 22.358 -20.231 12.965 1.00 25.00 N ATOM 503 CA GLU A 52 21.906 -20.380 11.587 1.00 41.33 C ATOM 504 C GLU A 52 22.756 -19.537 10.641 1.00 12.41 C ATOM 505 O GLU A 52 23.299 -20.043 9.659 1.00 71.24 O ATOM 506 CB GLU A 52 20.435 -19.977 11.464 1.00 73.33 C ATOM 507 CG GLU A 52 19.514 -20.744 12.398 1.00 50.21 C ATOM 508 CD GLU A 52 19.587 -22.244 12.190 1.00 22.11 C ATOM 509 OE1 GLU A 52 20.365 -22.904 12.910 1.00 70.44 O ATOM 510 OE2 GLU A 52 18.868 -22.756 11.307 1.00 62.02 O ATOM 0 H GLU A 52 21.659 -19.845 13.599 1.00 25.00 H new ATOM 0 HA GLU A 52 22.014 -21.428 11.308 1.00 41.33 H new ATOM 0 HB2 GLU A 52 20.341 -18.911 11.669 1.00 73.33 H new ATOM 0 HB3 GLU A 52 20.109 -20.134 10.436 1.00 73.33 H new ATOM 0 HG2 GLU A 52 19.775 -20.511 13.430 1.00 50.21 H new ATOM 0 HG3 GLU A 52 18.488 -20.410 12.245 1.00 50.21 H new ATOM 517 N PHE A 53 22.866 -18.248 10.944 1.00 45.24 N ATOM 518 CA PHE A 53 23.649 -17.333 10.120 1.00 13.21 C ATOM 519 C PHE A 53 25.042 -17.896 9.856 1.00 12.44 C ATOM 520 O PHE A 53 25.455 -18.049 8.706 1.00 1.30 O ATOM 521 CB PHE A 53 23.759 -15.967 10.802 1.00 73.44 C ATOM 522 CG PHE A 53 24.855 -15.105 10.243 1.00 33.12 C ATOM 523 CD1 PHE A 53 26.151 -15.216 10.719 1.00 52.40 C ATOM 524 CD2 PHE A 53 24.589 -14.185 9.243 1.00 14.12 C ATOM 525 CE1 PHE A 53 27.162 -14.424 10.207 1.00 22.20 C ATOM 526 CE2 PHE A 53 25.595 -13.391 8.726 1.00 4.44 C ATOM 527 CZ PHE A 53 26.884 -13.510 9.210 1.00 22.55 C ATOM 0 H PHE A 53 22.423 -17.813 11.753 1.00 45.24 H new ATOM 0 HA PHE A 53 23.137 -17.215 9.165 1.00 13.21 H new ATOM 0 HB2 PHE A 53 22.809 -15.443 10.703 1.00 73.44 H new ATOM 0 HB3 PHE A 53 23.932 -16.115 11.868 1.00 73.44 H new ATOM 0 HD1 PHE A 53 26.374 -15.929 11.499 1.00 52.40 H new ATOM 0 HD2 PHE A 53 23.583 -14.087 8.862 1.00 14.12 H new ATOM 0 HE1 PHE A 53 28.169 -14.520 10.587 1.00 22.20 H new ATOM 0 HE2 PHE A 53 25.374 -12.679 7.945 1.00 4.44 H new ATOM 0 HZ PHE A 53 27.672 -12.890 8.809 1.00 22.55 H new ATOM 537 N LYS A 54 25.763 -18.202 10.929 1.00 0.24 N ATOM 538 CA LYS A 54 27.110 -18.748 10.815 1.00 22.33 C ATOM 539 C LYS A 54 27.082 -20.139 10.189 1.00 23.32 C ATOM 540 O LYS A 54 28.071 -20.589 9.613 1.00 51.14 O ATOM 541 CB LYS A 54 27.775 -18.810 12.192 1.00 22.41 C ATOM 542 CG LYS A 54 27.500 -20.102 12.943 1.00 23.05 C ATOM 543 CD LYS A 54 28.166 -20.105 14.310 1.00 74.14 C ATOM 544 CE LYS A 54 29.342 -21.068 14.353 1.00 5.23 C ATOM 545 NZ LYS A 54 29.702 -21.442 15.750 1.00 53.44 N ATOM 0 H LYS A 54 25.437 -18.081 11.888 1.00 0.24 H new ATOM 0 HA LYS A 54 27.689 -18.089 10.168 1.00 22.33 H new ATOM 0 HB2 LYS A 54 28.852 -18.692 12.072 1.00 22.41 H new ATOM 0 HB3 LYS A 54 27.427 -17.969 12.792 1.00 22.41 H new ATOM 0 HG2 LYS A 54 26.424 -20.234 13.061 1.00 23.05 H new ATOM 0 HG3 LYS A 54 27.862 -20.948 12.359 1.00 23.05 H new ATOM 0 HD2 LYS A 54 28.509 -19.099 14.551 1.00 74.14 H new ATOM 0 HD3 LYS A 54 27.437 -20.384 15.071 1.00 74.14 H new ATOM 0 HE2 LYS A 54 29.096 -21.967 13.788 1.00 5.23 H new ATOM 0 HE3 LYS A 54 30.203 -20.611 13.866 1.00 5.23 H new ATOM 0 HZ1 LYS A 54 30.508 -22.099 15.737 1.00 53.44 H new ATOM 0 HZ2 LYS A 54 29.961 -20.587 16.282 1.00 53.44 H new ATOM 0 HZ3 LYS A 54 28.888 -21.901 16.207 1.00 53.44 H new ATOM 559 N GLU A 55 25.943 -20.813 10.308 1.00 43.04 N ATOM 560 CA GLU A 55 25.788 -22.153 9.753 1.00 51.23 C ATOM 561 C GLU A 55 25.599 -22.096 8.239 1.00 2.42 C ATOM 562 O GLU A 55 25.910 -23.051 7.526 1.00 1.31 O ATOM 563 CB GLU A 55 24.597 -22.863 10.399 1.00 11.55 C ATOM 564 CG GLU A 55 24.232 -24.176 9.728 1.00 42.34 C ATOM 565 CD GLU A 55 23.596 -25.164 10.686 1.00 42.23 C ATOM 566 OE1 GLU A 55 24.028 -25.216 11.857 1.00 53.23 O ATOM 567 OE2 GLU A 55 22.668 -25.886 10.265 1.00 53.40 O ATOM 0 H GLU A 55 25.115 -20.454 10.783 1.00 43.04 H new ATOM 0 HA GLU A 55 26.697 -22.715 9.969 1.00 51.23 H new ATOM 0 HB2 GLU A 55 24.823 -23.052 11.448 1.00 11.55 H new ATOM 0 HB3 GLU A 55 23.732 -22.200 10.374 1.00 11.55 H new ATOM 0 HG2 GLU A 55 23.545 -23.980 8.905 1.00 42.34 H new ATOM 0 HG3 GLU A 55 25.129 -24.620 9.296 1.00 42.34 H new ATOM 574 N LYS A 56 25.088 -20.969 7.755 1.00 35.11 N ATOM 575 CA LYS A 56 24.857 -20.785 6.326 1.00 4.43 C ATOM 576 C LYS A 56 26.059 -20.120 5.663 1.00 2.43 C ATOM 577 O LYS A 56 26.356 -20.373 4.496 1.00 55.34 O ATOM 578 CB LYS A 56 23.602 -19.941 6.096 1.00 14.11 C ATOM 579 CG LYS A 56 22.367 -20.763 5.773 1.00 22.12 C ATOM 580 CD LYS A 56 22.309 -21.126 4.298 1.00 53.20 C ATOM 581 CE LYS A 56 21.334 -22.265 4.043 1.00 43.24 C ATOM 582 NZ LYS A 56 21.931 -23.590 4.372 1.00 33.01 N ATOM 0 H LYS A 56 24.826 -20.169 8.331 1.00 35.11 H new ATOM 0 HA LYS A 56 24.713 -21.767 5.876 1.00 4.43 H new ATOM 0 HB2 LYS A 56 23.408 -19.344 6.987 1.00 14.11 H new ATOM 0 HB3 LYS A 56 23.788 -19.244 5.279 1.00 14.11 H new ATOM 0 HG2 LYS A 56 22.367 -21.673 6.373 1.00 22.12 H new ATOM 0 HG3 LYS A 56 21.473 -20.202 6.046 1.00 22.12 H new ATOM 0 HD2 LYS A 56 22.010 -20.253 3.719 1.00 53.20 H new ATOM 0 HD3 LYS A 56 23.303 -21.412 3.953 1.00 53.20 H new ATOM 0 HE2 LYS A 56 20.434 -22.114 4.640 1.00 43.24 H new ATOM 0 HE3 LYS A 56 21.028 -22.254 2.997 1.00 43.24 H new ATOM 0 HZ1 LYS A 56 21.236 -24.340 4.185 1.00 33.01 H new ATOM 0 HZ2 LYS A 56 22.775 -23.746 3.785 1.00 33.01 H new ATOM 0 HZ3 LYS A 56 22.200 -23.610 5.376 1.00 33.01 H new ATOM 596 N PHE A 57 26.748 -19.267 6.416 1.00 60.12 N ATOM 597 CA PHE A 57 27.918 -18.566 5.901 1.00 11.40 C ATOM 598 C PHE A 57 29.205 -19.255 6.345 1.00 73.34 C ATOM 599 O PHE A 57 30.249 -19.112 5.711 1.00 1.11 O ATOM 600 CB PHE A 57 27.916 -17.111 6.374 1.00 61.23 C ATOM 601 CG PHE A 57 26.772 -16.305 5.828 1.00 11.21 C ATOM 602 CD1 PHE A 57 26.702 -16.001 4.478 1.00 71.11 C ATOM 603 CD2 PHE A 57 25.765 -15.851 6.666 1.00 43.20 C ATOM 604 CE1 PHE A 57 25.651 -15.260 3.973 1.00 35.31 C ATOM 605 CE2 PHE A 57 24.712 -15.110 6.167 1.00 75.10 C ATOM 606 CZ PHE A 57 24.655 -14.813 4.819 1.00 31.12 C ATOM 0 H PHE A 57 26.516 -19.045 7.384 1.00 60.12 H new ATOM 0 HA PHE A 57 27.873 -18.587 4.812 1.00 11.40 H new ATOM 0 HB2 PHE A 57 27.877 -17.091 7.463 1.00 61.23 H new ATOM 0 HB3 PHE A 57 28.854 -16.641 6.080 1.00 61.23 H new ATOM 0 HD1 PHE A 57 27.479 -16.348 3.812 1.00 71.11 H new ATOM 0 HD2 PHE A 57 25.805 -16.079 7.721 1.00 43.20 H new ATOM 0 HE1 PHE A 57 25.608 -15.031 2.918 1.00 35.31 H new ATOM 0 HE2 PHE A 57 23.933 -14.763 6.830 1.00 75.10 H new ATOM 0 HZ PHE A 57 23.833 -14.232 4.427 1.00 31.12 H new ATOM 616 N GLY A 58 29.121 -20.004 7.441 1.00 73.34 N ATOM 617 CA GLY A 58 30.284 -20.703 7.952 1.00 61.33 C ATOM 618 C GLY A 58 31.086 -19.862 8.925 1.00 71.10 C ATOM 619 O GLY A 58 32.013 -20.356 9.565 1.00 10.21 O ATOM 0 H GLY A 58 28.268 -20.138 7.983 1.00 73.34 H new ATOM 0 HA2 GLY A 58 29.964 -21.620 8.447 1.00 61.33 H new ATOM 0 HA3 GLY A 58 30.922 -20.997 7.119 1.00 61.33 H new ATOM 623 N MET A 59 30.729 -18.586 9.034 1.00 23.34 N ATOM 624 CA MET A 59 31.422 -17.674 9.936 1.00 45.31 C ATOM 625 C MET A 59 30.448 -17.038 10.923 1.00 60.24 C ATOM 626 O MET A 59 29.318 -16.700 10.565 1.00 5.23 O ATOM 627 CB MET A 59 32.143 -16.585 9.139 1.00 70.20 C ATOM 628 CG MET A 59 32.972 -17.124 7.986 1.00 40.23 C ATOM 629 SD MET A 59 32.414 -16.513 6.383 1.00 2.24 S ATOM 630 CE MET A 59 33.841 -16.881 5.365 1.00 11.22 C ATOM 0 H MET A 59 29.965 -18.161 8.509 1.00 23.34 H new ATOM 0 HA MET A 59 32.157 -18.249 10.499 1.00 45.31 H new ATOM 0 HB2 MET A 59 31.406 -15.884 8.749 1.00 70.20 H new ATOM 0 HB3 MET A 59 32.792 -16.024 9.811 1.00 70.20 H new ATOM 0 HG2 MET A 59 34.016 -16.846 8.133 1.00 40.23 H new ATOM 0 HG3 MET A 59 32.929 -18.213 7.990 1.00 40.23 H new ATOM 0 HE1 MET A 59 33.851 -16.219 4.499 1.00 11.22 H new ATOM 0 HE2 MET A 59 34.751 -16.732 5.946 1.00 11.22 H new ATOM 0 HE3 MET A 59 33.791 -17.917 5.029 1.00 11.22 H new ATOM 640 N THR A 60 30.890 -16.878 12.166 1.00 72.53 N ATOM 641 CA THR A 60 30.056 -16.285 13.203 1.00 71.01 C ATOM 642 C THR A 60 29.617 -14.877 12.817 1.00 65.33 C ATOM 643 O THR A 60 30.076 -14.324 11.818 1.00 43.11 O ATOM 644 CB THR A 60 30.795 -16.227 14.553 1.00 23.52 C ATOM 645 OG1 THR A 60 31.996 -17.006 14.488 1.00 11.14 O ATOM 646 CG2 THR A 60 29.911 -16.745 15.677 1.00 35.33 C ATOM 0 H THR A 60 31.822 -17.151 12.479 1.00 72.53 H new ATOM 0 HA THR A 60 29.177 -16.922 13.305 1.00 71.01 H new ATOM 0 HB THR A 60 31.047 -15.187 14.759 1.00 23.52 H new ATOM 0 HG1 THR A 60 32.461 -16.963 15.350 1.00 11.14 H new ATOM 0 HG21 THR A 60 30.455 -16.694 16.620 1.00 35.33 H new ATOM 0 HG22 THR A 60 29.011 -16.134 15.743 1.00 35.33 H new ATOM 0 HG23 THR A 60 29.633 -17.779 15.474 1.00 35.33 H new ATOM 654 N LYS A 61 28.726 -14.300 13.616 1.00 33.42 N ATOM 655 CA LYS A 61 28.225 -12.955 13.360 1.00 25.01 C ATOM 656 C LYS A 61 29.375 -11.962 13.230 1.00 61.11 C ATOM 657 O LYS A 61 29.478 -11.246 12.235 1.00 51.44 O ATOM 658 CB LYS A 61 27.284 -12.517 14.484 1.00 4.01 C ATOM 659 CG LYS A 61 26.244 -13.562 14.850 1.00 1.23 C ATOM 660 CD LYS A 61 25.080 -12.948 15.609 1.00 61.42 C ATOM 661 CE LYS A 61 25.435 -12.696 17.066 1.00 21.03 C ATOM 662 NZ LYS A 61 25.339 -11.252 17.418 1.00 22.21 N ATOM 0 H LYS A 61 28.336 -14.744 14.447 1.00 33.42 H new ATOM 0 HA LYS A 61 27.675 -12.972 12.419 1.00 25.01 H new ATOM 0 HB2 LYS A 61 27.875 -12.279 15.369 1.00 4.01 H new ATOM 0 HB3 LYS A 61 26.776 -11.600 14.184 1.00 4.01 H new ATOM 0 HG2 LYS A 61 25.876 -14.043 13.944 1.00 1.23 H new ATOM 0 HG3 LYS A 61 26.706 -14.340 15.458 1.00 1.23 H new ATOM 0 HD2 LYS A 61 24.791 -12.009 15.136 1.00 61.42 H new ATOM 0 HD3 LYS A 61 24.217 -13.612 15.553 1.00 61.42 H new ATOM 0 HE2 LYS A 61 24.767 -13.271 17.707 1.00 21.03 H new ATOM 0 HE3 LYS A 61 26.447 -13.051 17.260 1.00 21.03 H new ATOM 0 HZ1 LYS A 61 25.589 -11.121 18.419 1.00 22.21 H new ATOM 0 HZ2 LYS A 61 25.994 -10.705 16.824 1.00 22.21 H new ATOM 0 HZ3 LYS A 61 24.367 -10.919 17.257 1.00 22.21 H new ATOM 676 N GLU A 62 30.239 -11.927 14.240 1.00 72.12 N ATOM 677 CA GLU A 62 31.382 -11.022 14.236 1.00 62.12 C ATOM 678 C GLU A 62 32.477 -11.532 13.302 1.00 33.31 C ATOM 679 O GLU A 62 33.064 -10.765 12.539 1.00 31.13 O ATOM 680 CB GLU A 62 31.939 -10.861 15.652 1.00 62.35 C ATOM 681 CG GLU A 62 32.355 -12.174 16.295 1.00 34.44 C ATOM 682 CD GLU A 62 32.112 -12.193 17.791 1.00 4.23 C ATOM 683 OE1 GLU A 62 30.935 -12.113 18.202 1.00 61.41 O ATOM 684 OE2 GLU A 62 33.098 -12.286 18.552 1.00 72.35 O ATOM 0 H GLU A 62 30.169 -12.515 15.071 1.00 72.12 H new ATOM 0 HA GLU A 62 31.042 -10.051 13.874 1.00 62.12 H new ATOM 0 HB2 GLU A 62 32.799 -10.192 15.621 1.00 62.35 H new ATOM 0 HB3 GLU A 62 31.186 -10.382 16.278 1.00 62.35 H new ATOM 0 HG2 GLU A 62 31.804 -12.992 15.831 1.00 34.44 H new ATOM 0 HG3 GLU A 62 33.413 -12.351 16.100 1.00 34.44 H new ATOM 691 N ALA A 63 32.745 -12.833 13.369 1.00 11.33 N ATOM 692 CA ALA A 63 33.767 -13.445 12.530 1.00 71.00 C ATOM 693 C ALA A 63 33.517 -13.150 11.055 1.00 13.24 C ATOM 694 O ALA A 63 34.448 -12.864 10.302 1.00 61.44 O ATOM 695 CB ALA A 63 33.814 -14.947 12.768 1.00 25.25 C ATOM 0 H ALA A 63 32.269 -13.482 13.995 1.00 11.33 H new ATOM 0 HA ALA A 63 34.730 -13.014 12.801 1.00 71.00 H new ATOM 0 HB1 ALA A 63 34.582 -15.392 12.135 1.00 25.25 H new ATOM 0 HB2 ALA A 63 34.048 -15.142 13.814 1.00 25.25 H new ATOM 0 HB3 ALA A 63 32.845 -15.384 12.525 1.00 25.25 H new ATOM 701 N PHE A 64 32.253 -13.220 10.649 1.00 11.34 N ATOM 702 CA PHE A 64 31.880 -12.960 9.263 1.00 44.32 C ATOM 703 C PHE A 64 32.214 -11.525 8.869 1.00 11.35 C ATOM 704 O PHE A 64 32.770 -11.275 7.799 1.00 75.50 O ATOM 705 CB PHE A 64 30.388 -13.225 9.056 1.00 51.25 C ATOM 706 CG PHE A 64 29.954 -13.120 7.622 1.00 62.21 C ATOM 707 CD1 PHE A 64 29.820 -14.255 6.840 1.00 64.33 C ATOM 708 CD2 PHE A 64 29.679 -11.886 7.056 1.00 43.31 C ATOM 709 CE1 PHE A 64 29.421 -14.162 5.520 1.00 72.51 C ATOM 710 CE2 PHE A 64 29.278 -11.787 5.737 1.00 2.42 C ATOM 711 CZ PHE A 64 29.151 -12.926 4.968 1.00 61.42 C ATOM 0 H PHE A 64 31.470 -13.454 11.260 1.00 11.34 H new ATOM 0 HA PHE A 64 32.453 -13.634 8.626 1.00 44.32 H new ATOM 0 HB2 PHE A 64 30.149 -14.221 9.428 1.00 51.25 H new ATOM 0 HB3 PHE A 64 29.815 -12.516 9.654 1.00 51.25 H new ATOM 0 HD1 PHE A 64 30.030 -15.225 7.267 1.00 64.33 H new ATOM 0 HD2 PHE A 64 29.779 -10.991 7.652 1.00 43.31 H new ATOM 0 HE1 PHE A 64 29.321 -15.055 4.921 1.00 72.51 H new ATOM 0 HE2 PHE A 64 29.064 -10.819 5.308 1.00 2.42 H new ATOM 0 HZ PHE A 64 28.841 -12.850 3.936 1.00 61.42 H new ATOM 721 N TYR A 65 31.870 -10.583 9.742 1.00 31.14 N ATOM 722 CA TYR A 65 32.129 -9.172 9.486 1.00 54.43 C ATOM 723 C TYR A 65 33.614 -8.927 9.233 1.00 31.23 C ATOM 724 O TYR A 65 33.996 -7.929 8.622 1.00 4.22 O ATOM 725 CB TYR A 65 31.655 -8.322 10.666 1.00 52.44 C ATOM 726 CG TYR A 65 30.166 -8.410 10.915 1.00 3.42 C ATOM 727 CD1 TYR A 65 29.266 -8.462 9.857 1.00 4.20 C ATOM 728 CD2 TYR A 65 29.658 -8.440 12.208 1.00 43.50 C ATOM 729 CE1 TYR A 65 27.905 -8.542 10.080 1.00 51.11 C ATOM 730 CE2 TYR A 65 28.299 -8.521 12.440 1.00 11.24 C ATOM 731 CZ TYR A 65 27.426 -8.572 11.373 1.00 4.42 C ATOM 732 OH TYR A 65 26.072 -8.651 11.600 1.00 1.34 O ATOM 0 H TYR A 65 31.411 -10.772 10.633 1.00 31.14 H new ATOM 0 HA TYR A 65 31.574 -8.884 8.593 1.00 54.43 H new ATOM 0 HB2 TYR A 65 32.185 -8.636 11.565 1.00 52.44 H new ATOM 0 HB3 TYR A 65 31.924 -7.281 10.485 1.00 52.44 H new ATOM 0 HD1 TYR A 65 29.637 -8.439 8.843 1.00 4.20 H new ATOM 0 HD2 TYR A 65 30.338 -8.399 13.046 1.00 43.50 H new ATOM 0 HE1 TYR A 65 27.220 -8.581 9.246 1.00 51.11 H new ATOM 0 HE2 TYR A 65 27.922 -8.544 13.452 1.00 11.24 H new ATOM 0 HH TYR A 65 25.902 -8.664 12.565 1.00 1.34 H new ATOM 742 N LYS A 66 34.447 -9.848 9.707 1.00 13.45 N ATOM 743 CA LYS A 66 35.890 -9.736 9.533 1.00 52.33 C ATOM 744 C LYS A 66 36.253 -9.631 8.055 1.00 13.21 C ATOM 745 O LYS A 66 37.231 -8.975 7.690 1.00 32.50 O ATOM 746 CB LYS A 66 36.595 -10.942 10.157 1.00 60.40 C ATOM 747 CG LYS A 66 38.003 -10.641 10.640 1.00 5.24 C ATOM 748 CD LYS A 66 38.179 -11.004 12.106 1.00 71.31 C ATOM 749 CE LYS A 66 37.976 -9.797 13.007 1.00 11.21 C ATOM 750 NZ LYS A 66 38.235 -10.121 14.437 1.00 65.23 N ATOM 0 H LYS A 66 34.147 -10.680 10.215 1.00 13.45 H new ATOM 0 HA LYS A 66 36.222 -8.828 10.037 1.00 52.33 H new ATOM 0 HB2 LYS A 66 36.002 -11.305 10.996 1.00 60.40 H new ATOM 0 HB3 LYS A 66 36.636 -11.748 9.424 1.00 60.40 H new ATOM 0 HG2 LYS A 66 38.722 -11.197 10.038 1.00 5.24 H new ATOM 0 HG3 LYS A 66 38.219 -9.582 10.498 1.00 5.24 H new ATOM 0 HD2 LYS A 66 37.468 -11.785 12.376 1.00 71.31 H new ATOM 0 HD3 LYS A 66 39.177 -11.413 12.263 1.00 71.31 H new ATOM 0 HE2 LYS A 66 38.640 -8.993 12.691 1.00 11.21 H new ATOM 0 HE3 LYS A 66 36.956 -9.430 12.897 1.00 11.21 H new ATOM 0 HZ1 LYS A 66 38.086 -9.271 15.018 1.00 65.23 H new ATOM 0 HZ2 LYS A 66 37.584 -10.871 14.746 1.00 65.23 H new ATOM 0 HZ3 LYS A 66 39.216 -10.447 14.547 1.00 65.23 H new ATOM 764 N LEU A 67 35.460 -10.280 7.208 1.00 1.42 N ATOM 765 CA LEU A 67 35.697 -10.258 5.769 1.00 43.42 C ATOM 766 C LEU A 67 35.442 -8.867 5.196 1.00 35.21 C ATOM 767 O LEU A 67 34.795 -8.023 5.816 1.00 2.32 O ATOM 768 CB LEU A 67 34.803 -11.283 5.069 1.00 44.43 C ATOM 769 CG LEU A 67 35.444 -12.638 4.769 1.00 61.50 C ATOM 770 CD1 LEU A 67 36.080 -13.218 6.023 1.00 32.43 C ATOM 771 CD2 LEU A 67 34.414 -13.601 4.197 1.00 35.33 C ATOM 0 H LEU A 67 34.648 -10.827 7.493 1.00 1.42 H new ATOM 0 HA LEU A 67 36.741 -10.517 5.594 1.00 43.42 H new ATOM 0 HB2 LEU A 67 33.922 -11.450 5.688 1.00 44.43 H new ATOM 0 HB3 LEU A 67 34.456 -10.852 4.130 1.00 44.43 H new ATOM 0 HG LEU A 67 36.227 -12.490 4.025 1.00 61.50 H new ATOM 0 HD11 LEU A 67 36.531 -14.182 5.789 1.00 32.43 H new ATOM 0 HD12 LEU A 67 36.848 -12.537 6.389 1.00 32.43 H new ATOM 0 HD13 LEU A 67 35.317 -13.350 6.790 1.00 32.43 H new ATOM 0 HD21 LEU A 67 34.888 -14.560 3.990 1.00 35.33 H new ATOM 0 HD22 LEU A 67 33.609 -13.743 4.918 1.00 35.33 H new ATOM 0 HD23 LEU A 67 34.006 -13.191 3.273 1.00 35.33 H new ATOM 783 N PRO A 68 35.956 -8.623 3.982 1.00 40.21 N ATOM 784 CA PRO A 68 35.794 -7.337 3.296 1.00 24.10 C ATOM 785 C PRO A 68 34.358 -7.099 2.842 1.00 71.52 C ATOM 786 O PRO A 68 33.516 -7.995 2.919 1.00 55.53 O ATOM 787 CB PRO A 68 36.724 -7.460 2.087 1.00 43.32 C ATOM 788 CG PRO A 68 36.827 -8.925 1.835 1.00 40.21 C ATOM 789 CD PRO A 68 36.737 -9.583 3.184 1.00 60.51 C ATOM 0 HA PRO A 68 36.029 -6.495 3.947 1.00 24.10 H new ATOM 0 HB2 PRO A 68 36.318 -6.937 1.221 1.00 43.32 H new ATOM 0 HB3 PRO A 68 37.702 -7.024 2.294 1.00 43.32 H new ATOM 0 HG2 PRO A 68 36.025 -9.266 1.180 1.00 40.21 H new ATOM 0 HG3 PRO A 68 37.768 -9.171 1.342 1.00 40.21 H new ATOM 0 HD2 PRO A 68 36.243 -10.553 3.126 1.00 60.51 H new ATOM 0 HD3 PRO A 68 37.724 -9.754 3.614 1.00 60.51 H new ATOM 797 N LYS A 69 34.084 -5.888 2.370 1.00 22.21 N ATOM 798 CA LYS A 69 32.750 -5.533 1.901 1.00 23.05 C ATOM 799 C LYS A 69 32.394 -6.306 0.635 1.00 21.10 C ATOM 800 O LYS A 69 31.299 -6.855 0.520 1.00 54.54 O ATOM 801 CB LYS A 69 32.666 -4.029 1.634 1.00 54.44 C ATOM 802 CG LYS A 69 31.608 -3.321 2.464 1.00 70.34 C ATOM 803 CD LYS A 69 32.072 -1.942 2.899 1.00 14.21 C ATOM 804 CE LYS A 69 32.456 -1.921 4.371 1.00 13.21 C ATOM 805 NZ LYS A 69 33.927 -2.037 4.562 1.00 63.31 N ATOM 0 H LYS A 69 34.769 -5.135 2.302 1.00 22.21 H new ATOM 0 HA LYS A 69 32.035 -5.799 2.680 1.00 23.05 H new ATOM 0 HB2 LYS A 69 33.637 -3.578 1.837 1.00 54.44 H new ATOM 0 HB3 LYS A 69 32.455 -3.868 0.577 1.00 54.44 H new ATOM 0 HG2 LYS A 69 30.689 -3.231 1.884 1.00 70.34 H new ATOM 0 HG3 LYS A 69 31.372 -3.921 3.343 1.00 70.34 H new ATOM 0 HD2 LYS A 69 32.926 -1.637 2.295 1.00 14.21 H new ATOM 0 HD3 LYS A 69 31.279 -1.216 2.719 1.00 14.21 H new ATOM 0 HE2 LYS A 69 32.103 -0.995 4.825 1.00 13.21 H new ATOM 0 HE3 LYS A 69 31.957 -2.740 4.888 1.00 13.21 H new ATOM 0 HZ1 LYS A 69 34.148 -2.019 5.578 1.00 63.31 H new ATOM 0 HZ2 LYS A 69 34.261 -2.932 4.151 1.00 63.31 H new ATOM 0 HZ3 LYS A 69 34.402 -1.241 4.090 1.00 63.31 H new ATOM 819 N TRP A 70 33.327 -6.345 -0.310 1.00 75.31 N ATOM 820 CA TRP A 70 33.111 -7.053 -1.567 1.00 34.23 C ATOM 821 C TRP A 70 32.789 -8.523 -1.317 1.00 4.32 C ATOM 822 O TRP A 70 31.893 -9.088 -1.942 1.00 52.05 O ATOM 823 CB TRP A 70 34.345 -6.934 -2.461 1.00 52.53 C ATOM 824 CG TRP A 70 35.461 -7.850 -2.061 1.00 74.42 C ATOM 825 CD1 TRP A 70 36.470 -7.577 -1.182 1.00 20.10 C ATOM 826 CD2 TRP A 70 35.681 -9.186 -2.526 1.00 34.13 C ATOM 827 NE1 TRP A 70 37.304 -8.663 -1.072 1.00 64.24 N ATOM 828 CE2 TRP A 70 36.841 -9.663 -1.886 1.00 25.41 C ATOM 829 CE3 TRP A 70 35.010 -10.026 -3.418 1.00 44.11 C ATOM 830 CZ2 TRP A 70 37.343 -10.943 -2.113 1.00 2.34 C ATOM 831 CZ3 TRP A 70 35.510 -11.295 -3.642 1.00 60.15 C ATOM 832 CH2 TRP A 70 36.666 -11.744 -2.992 1.00 40.41 C ATOM 0 H TRP A 70 34.239 -5.895 -0.230 1.00 75.31 H new ATOM 0 HA TRP A 70 32.260 -6.595 -2.071 1.00 34.23 H new ATOM 0 HB2 TRP A 70 34.060 -7.149 -3.491 1.00 52.53 H new ATOM 0 HB3 TRP A 70 34.704 -5.905 -2.437 1.00 52.53 H new ATOM 0 HD1 TRP A 70 36.594 -6.645 -0.651 1.00 20.10 H new ATOM 0 HE1 TRP A 70 38.133 -8.716 -0.480 1.00 64.24 H new ATOM 0 HE3 TRP A 70 34.117 -9.690 -3.923 1.00 44.11 H new ATOM 0 HZ2 TRP A 70 38.235 -11.291 -1.613 1.00 2.34 H new ATOM 0 HZ3 TRP A 70 35.000 -11.952 -4.331 1.00 60.15 H new ATOM 0 HH2 TRP A 70 37.030 -12.742 -3.188 1.00 40.41 H new ATOM 843 N LYS A 71 33.527 -9.136 -0.397 1.00 15.31 N ATOM 844 CA LYS A 71 33.320 -10.540 -0.062 1.00 15.43 C ATOM 845 C LYS A 71 32.091 -10.712 0.825 1.00 31.33 C ATOM 846 O LYS A 71 31.392 -11.722 0.742 1.00 62.30 O ATOM 847 CB LYS A 71 34.555 -11.104 0.644 1.00 24.45 C ATOM 848 CG LYS A 71 34.547 -12.618 0.766 1.00 11.21 C ATOM 849 CD LYS A 71 35.957 -13.177 0.859 1.00 71.11 C ATOM 850 CE LYS A 71 36.324 -13.974 -0.384 1.00 31.32 C ATOM 851 NZ LYS A 71 36.104 -15.434 -0.191 1.00 60.34 N ATOM 0 H LYS A 71 34.274 -8.682 0.130 1.00 15.31 H new ATOM 0 HA LYS A 71 33.157 -11.089 -0.989 1.00 15.43 H new ATOM 0 HB2 LYS A 71 35.447 -10.796 0.099 1.00 24.45 H new ATOM 0 HB3 LYS A 71 34.624 -10.668 1.641 1.00 24.45 H new ATOM 0 HG2 LYS A 71 33.980 -12.910 1.650 1.00 11.21 H new ATOM 0 HG3 LYS A 71 34.039 -13.051 -0.096 1.00 11.21 H new ATOM 0 HD2 LYS A 71 36.666 -12.359 0.991 1.00 71.11 H new ATOM 0 HD3 LYS A 71 36.039 -13.815 1.739 1.00 71.11 H new ATOM 0 HE2 LYS A 71 35.729 -13.625 -1.228 1.00 31.32 H new ATOM 0 HE3 LYS A 71 37.369 -13.794 -0.635 1.00 31.32 H new ATOM 0 HZ1 LYS A 71 36.366 -15.942 -1.060 1.00 60.34 H new ATOM 0 HZ2 LYS A 71 36.691 -15.772 0.598 1.00 60.34 H new ATOM 0 HZ3 LYS A 71 35.102 -15.609 0.024 1.00 60.34 H new ATOM 865 N GLN A 72 31.833 -9.720 1.670 1.00 55.13 N ATOM 866 CA GLN A 72 30.687 -9.763 2.571 1.00 30.30 C ATOM 867 C GLN A 72 29.378 -9.780 1.787 1.00 52.42 C ATOM 868 O GLN A 72 28.436 -10.483 2.148 1.00 65.11 O ATOM 869 CB GLN A 72 30.711 -8.563 3.519 1.00 2.21 C ATOM 870 CG GLN A 72 29.419 -8.376 4.298 1.00 40.00 C ATOM 871 CD GLN A 72 28.665 -7.127 3.886 1.00 34.20 C ATOM 872 OE1 GLN A 72 28.720 -6.707 2.730 1.00 44.41 O ATOM 873 NE2 GLN A 72 27.954 -6.526 4.832 1.00 31.13 N ATOM 0 H GLN A 72 32.401 -8.877 1.750 1.00 55.13 H new ATOM 0 HA GLN A 72 30.751 -10.681 3.156 1.00 30.30 H new ATOM 0 HB2 GLN A 72 31.535 -8.683 4.222 1.00 2.21 H new ATOM 0 HB3 GLN A 72 30.912 -7.660 2.943 1.00 2.21 H new ATOM 0 HG2 GLN A 72 28.780 -9.247 4.150 1.00 40.00 H new ATOM 0 HG3 GLN A 72 29.645 -8.324 5.363 1.00 40.00 H new ATOM 0 HE21 GLN A 72 27.937 -6.909 5.777 1.00 31.13 H new ATOM 0 HE22 GLN A 72 27.425 -5.682 4.614 1.00 31.13 H new ATOM 882 N ASN A 73 29.328 -8.999 0.713 1.00 60.13 N ATOM 883 CA ASN A 73 28.134 -8.924 -0.123 1.00 23.21 C ATOM 884 C ASN A 73 28.003 -10.167 -0.997 1.00 32.21 C ATOM 885 O ASN A 73 26.899 -10.559 -1.376 1.00 62.54 O ATOM 886 CB ASN A 73 28.178 -7.671 -1.000 1.00 63.15 C ATOM 887 CG ASN A 73 27.096 -6.673 -0.638 1.00 11.23 C ATOM 888 OD1 ASN A 73 26.421 -6.128 -1.512 1.00 3.14 O ATOM 889 ND2 ASN A 73 26.926 -6.429 0.657 1.00 41.32 N ATOM 0 H ASN A 73 30.099 -8.409 0.401 1.00 60.13 H new ATOM 0 HA ASN A 73 27.265 -8.870 0.532 1.00 23.21 H new ATOM 0 HB2 ASN A 73 29.154 -7.196 -0.901 1.00 63.15 H new ATOM 0 HB3 ASN A 73 28.068 -7.959 -2.046 1.00 63.15 H new ATOM 0 HD21 ASN A 73 26.213 -5.767 0.962 1.00 41.32 H new ATOM 0 HD22 ASN A 73 27.509 -6.904 1.346 1.00 41.32 H new ATOM 896 N LYS A 74 29.137 -10.783 -1.315 1.00 21.03 N ATOM 897 CA LYS A 74 29.150 -11.983 -2.143 1.00 3.44 C ATOM 898 C LYS A 74 28.582 -13.176 -1.382 1.00 1.14 C ATOM 899 O LYS A 74 27.664 -13.847 -1.854 1.00 41.31 O ATOM 900 CB LYS A 74 30.576 -12.291 -2.606 1.00 74.32 C ATOM 901 CG LYS A 74 31.110 -11.304 -3.630 1.00 21.33 C ATOM 902 CD LYS A 74 30.747 -11.719 -5.046 1.00 42.01 C ATOM 903 CE LYS A 74 31.405 -10.815 -6.077 1.00 40.01 C ATOM 904 NZ LYS A 74 31.263 -11.353 -7.459 1.00 23.13 N ATOM 0 H LYS A 74 30.059 -10.470 -1.011 1.00 21.03 H new ATOM 0 HA LYS A 74 28.522 -11.800 -3.015 1.00 3.44 H new ATOM 0 HB2 LYS A 74 31.237 -12.296 -1.739 1.00 74.32 H new ATOM 0 HB3 LYS A 74 30.602 -13.294 -3.032 1.00 74.32 H new ATOM 0 HG2 LYS A 74 30.706 -10.312 -3.426 1.00 21.33 H new ATOM 0 HG3 LYS A 74 32.194 -11.233 -3.537 1.00 21.33 H new ATOM 0 HD2 LYS A 74 31.056 -12.751 -5.215 1.00 42.01 H new ATOM 0 HD3 LYS A 74 29.665 -11.686 -5.170 1.00 42.01 H new ATOM 0 HE2 LYS A 74 30.959 -9.822 -6.026 1.00 40.01 H new ATOM 0 HE3 LYS A 74 32.463 -10.702 -5.838 1.00 40.01 H new ATOM 0 HZ1 LYS A 74 31.725 -10.708 -8.132 1.00 23.13 H new ATOM 0 HZ2 LYS A 74 31.711 -12.290 -7.515 1.00 23.13 H new ATOM 0 HZ3 LYS A 74 30.254 -11.437 -7.697 1.00 23.13 H new ATOM 918 N PHE A 75 29.133 -13.435 -0.200 1.00 53.31 N ATOM 919 CA PHE A 75 28.681 -14.547 0.627 1.00 12.20 C ATOM 920 C PHE A 75 27.198 -14.410 0.959 1.00 33.32 C ATOM 921 O PHE A 75 26.466 -15.399 1.006 1.00 64.43 O ATOM 922 CB PHE A 75 29.499 -14.617 1.918 1.00 2.11 C ATOM 923 CG PHE A 75 30.301 -15.880 2.052 1.00 31.31 C ATOM 924 CD1 PHE A 75 29.715 -17.115 1.828 1.00 31.21 C ATOM 925 CD2 PHE A 75 31.640 -15.832 2.403 1.00 60.03 C ATOM 926 CE1 PHE A 75 30.449 -18.280 1.951 1.00 0.33 C ATOM 927 CE2 PHE A 75 32.380 -16.993 2.527 1.00 74.14 C ATOM 928 CZ PHE A 75 31.784 -18.218 2.302 1.00 72.35 C ATOM 0 H PHE A 75 29.893 -12.889 0.206 1.00 53.31 H new ATOM 0 HA PHE A 75 28.826 -15.468 0.063 1.00 12.20 H new ATOM 0 HB2 PHE A 75 30.174 -13.762 1.958 1.00 2.11 H new ATOM 0 HB3 PHE A 75 28.825 -14.532 2.771 1.00 2.11 H new ATOM 0 HD1 PHE A 75 28.672 -17.168 1.554 1.00 31.21 H new ATOM 0 HD2 PHE A 75 32.111 -14.877 2.582 1.00 60.03 H new ATOM 0 HE1 PHE A 75 29.980 -19.236 1.773 1.00 0.33 H new ATOM 0 HE2 PHE A 75 33.424 -16.942 2.800 1.00 74.14 H new ATOM 0 HZ PHE A 75 32.360 -19.126 2.400 1.00 72.35 H new ATOM 938 N LYS A 76 26.760 -13.177 1.189 1.00 1.23 N ATOM 939 CA LYS A 76 25.365 -12.908 1.515 1.00 23.14 C ATOM 940 C LYS A 76 24.431 -13.638 0.557 1.00 74.14 C ATOM 941 O LYS A 76 23.641 -14.486 0.971 1.00 73.02 O ATOM 942 CB LYS A 76 25.089 -11.403 1.466 1.00 41.22 C ATOM 943 CG LYS A 76 25.293 -10.704 2.798 1.00 13.34 C ATOM 944 CD LYS A 76 24.832 -9.256 2.745 1.00 73.11 C ATOM 945 CE LYS A 76 25.565 -8.399 3.765 1.00 33.40 C ATOM 946 NZ LYS A 76 25.350 -6.945 3.525 1.00 33.14 N ATOM 0 H LYS A 76 27.352 -12.347 1.156 1.00 1.23 H new ATOM 0 HA LYS A 76 25.178 -13.273 2.525 1.00 23.14 H new ATOM 0 HB2 LYS A 76 25.742 -10.946 0.722 1.00 41.22 H new ATOM 0 HB3 LYS A 76 24.064 -11.241 1.133 1.00 41.22 H new ATOM 0 HG2 LYS A 76 24.743 -11.234 3.576 1.00 13.34 H new ATOM 0 HG3 LYS A 76 26.347 -10.741 3.072 1.00 13.34 H new ATOM 0 HD2 LYS A 76 25.000 -8.856 1.745 1.00 73.11 H new ATOM 0 HD3 LYS A 76 23.759 -9.208 2.932 1.00 73.11 H new ATOM 0 HE2 LYS A 76 25.223 -8.656 4.768 1.00 33.40 H new ATOM 0 HE3 LYS A 76 26.632 -8.620 3.725 1.00 33.40 H new ATOM 0 HZ1 LYS A 76 25.210 -6.460 4.434 1.00 33.14 H new ATOM 0 HZ2 LYS A 76 26.181 -6.546 3.044 1.00 33.14 H new ATOM 0 HZ3 LYS A 76 24.508 -6.812 2.929 1.00 33.14 H new ATOM 960 N MET A 77 24.528 -13.305 -0.726 1.00 51.11 N ATOM 961 CA MET A 77 23.693 -13.932 -1.743 1.00 73.53 C ATOM 962 C MET A 77 24.066 -15.401 -1.924 1.00 31.15 C ATOM 963 O MET A 77 23.235 -16.217 -2.321 1.00 0.41 O ATOM 964 CB MET A 77 23.832 -13.192 -3.075 1.00 22.50 C ATOM 965 CG MET A 77 25.264 -13.107 -3.577 1.00 32.33 C ATOM 966 SD MET A 77 25.431 -12.044 -5.024 1.00 64.32 S ATOM 967 CE MET A 77 25.876 -10.490 -4.253 1.00 71.33 C ATOM 0 H MET A 77 25.176 -12.605 -1.086 1.00 51.11 H new ATOM 0 HA MET A 77 22.656 -13.877 -1.410 1.00 73.53 H new ATOM 0 HB2 MET A 77 23.222 -13.694 -3.826 1.00 22.50 H new ATOM 0 HB3 MET A 77 23.434 -12.183 -2.964 1.00 22.50 H new ATOM 0 HG2 MET A 77 25.903 -12.730 -2.778 1.00 32.33 H new ATOM 0 HG3 MET A 77 25.619 -14.108 -3.823 1.00 32.33 H new ATOM 0 HE1 MET A 77 25.655 -9.669 -4.935 1.00 71.33 H new ATOM 0 HE2 MET A 77 25.304 -10.363 -3.334 1.00 71.33 H new ATOM 0 HE3 MET A 77 26.941 -10.491 -4.020 1.00 71.33 H new ATOM 977 N ALA A 78 25.319 -15.729 -1.628 1.00 2.44 N ATOM 978 CA ALA A 78 25.801 -17.098 -1.756 1.00 74.44 C ATOM 979 C ALA A 78 24.911 -18.067 -0.984 1.00 4.11 C ATOM 980 O ALA A 78 24.603 -19.159 -1.461 1.00 60.04 O ATOM 981 CB ALA A 78 27.240 -17.199 -1.272 1.00 30.51 C ATOM 0 H ALA A 78 26.019 -15.065 -1.298 1.00 2.44 H new ATOM 0 HA ALA A 78 25.765 -17.373 -2.810 1.00 74.44 H new ATOM 0 HB1 ALA A 78 27.587 -18.227 -1.374 1.00 30.51 H new ATOM 0 HB2 ALA A 78 27.872 -16.542 -1.870 1.00 30.51 H new ATOM 0 HB3 ALA A 78 27.294 -16.900 -0.225 1.00 30.51 H new ATOM 987 N VAL A 79 24.503 -17.661 0.214 1.00 4.20 N ATOM 988 CA VAL A 79 23.649 -18.493 1.054 1.00 62.35 C ATOM 989 C VAL A 79 22.183 -18.102 0.905 1.00 40.43 C ATOM 990 O VAL A 79 21.341 -18.497 1.711 1.00 54.12 O ATOM 991 CB VAL A 79 24.048 -18.390 2.538 1.00 63.44 C ATOM 992 CG1 VAL A 79 25.558 -18.264 2.676 1.00 22.24 C ATOM 993 CG2 VAL A 79 23.343 -17.215 3.199 1.00 63.22 C ATOM 0 H VAL A 79 24.750 -16.761 0.625 1.00 4.20 H new ATOM 0 HA VAL A 79 23.784 -19.522 0.720 1.00 62.35 H new ATOM 0 HB VAL A 79 23.735 -19.303 3.046 1.00 63.44 H new ATOM 0 HG11 VAL A 79 25.822 -18.192 3.731 1.00 22.24 H new ATOM 0 HG12 VAL A 79 26.038 -19.141 2.241 1.00 22.24 H new ATOM 0 HG13 VAL A 79 25.897 -17.369 2.155 1.00 22.24 H new ATOM 0 HG21 VAL A 79 23.637 -17.157 4.247 1.00 63.22 H new ATOM 0 HG22 VAL A 79 23.623 -16.291 2.693 1.00 63.22 H new ATOM 0 HG23 VAL A 79 22.264 -17.353 3.132 1.00 63.22 H new ATOM 1003 N GLN A 80 21.887 -17.322 -0.131 1.00 21.31 N ATOM 1004 CA GLN A 80 20.522 -16.877 -0.384 1.00 51.23 C ATOM 1005 C GLN A 80 20.066 -15.884 0.679 1.00 21.24 C ATOM 1006 O GLN A 80 18.877 -15.788 0.985 1.00 4.15 O ATOM 1007 CB GLN A 80 19.571 -18.074 -0.422 1.00 34.20 C ATOM 1008 CG GLN A 80 20.131 -19.274 -1.169 1.00 24.12 C ATOM 1009 CD GLN A 80 20.767 -18.893 -2.491 1.00 51.03 C ATOM 1010 OE1 GLN A 80 20.229 -18.076 -3.239 1.00 2.04 O ATOM 1011 NE2 GLN A 80 21.918 -19.485 -2.788 1.00 73.33 N ATOM 0 H GLN A 80 22.573 -16.986 -0.807 1.00 21.31 H new ATOM 0 HA GLN A 80 20.504 -16.377 -1.352 1.00 51.23 H new ATOM 0 HB2 GLN A 80 19.334 -18.371 0.600 1.00 34.20 H new ATOM 0 HB3 GLN A 80 18.635 -17.769 -0.891 1.00 34.20 H new ATOM 0 HG2 GLN A 80 20.872 -19.773 -0.544 1.00 24.12 H new ATOM 0 HG3 GLN A 80 19.330 -19.991 -1.349 1.00 24.12 H new ATOM 0 HE21 GLN A 80 22.329 -20.156 -2.139 1.00 73.33 H new ATOM 0 HE22 GLN A 80 22.391 -19.268 -3.665 1.00 73.33 H new ATOM 1020 N LEU A 81 21.019 -15.148 1.241 1.00 42.45 N ATOM 1021 CA LEU A 81 20.716 -14.161 2.272 1.00 33.10 C ATOM 1022 C LEU A 81 21.250 -12.786 1.884 1.00 62.22 C ATOM 1023 O LEU A 81 22.417 -12.474 2.116 1.00 44.55 O ATOM 1024 CB LEU A 81 21.316 -14.594 3.611 1.00 33.04 C ATOM 1025 CG LEU A 81 20.555 -15.685 4.366 1.00 33.33 C ATOM 1026 CD1 LEU A 81 21.205 -15.954 5.714 1.00 1.03 C ATOM 1027 CD2 LEU A 81 19.096 -15.291 4.545 1.00 74.30 C ATOM 0 H LEU A 81 22.008 -15.216 1.000 1.00 42.45 H new ATOM 0 HA LEU A 81 19.632 -14.095 2.370 1.00 33.10 H new ATOM 0 HB2 LEU A 81 22.333 -14.944 3.434 1.00 33.04 H new ATOM 0 HB3 LEU A 81 21.388 -13.717 4.255 1.00 33.04 H new ATOM 0 HG LEU A 81 20.594 -16.602 3.778 1.00 33.33 H new ATOM 0 HD11 LEU A 81 20.650 -16.733 6.237 1.00 1.03 H new ATOM 0 HD12 LEU A 81 22.234 -16.281 5.563 1.00 1.03 H new ATOM 0 HD13 LEU A 81 21.198 -15.041 6.310 1.00 1.03 H new ATOM 0 HD21 LEU A 81 18.570 -16.079 5.084 1.00 74.30 H new ATOM 0 HD22 LEU A 81 19.037 -14.362 5.112 1.00 74.30 H new ATOM 0 HD23 LEU A 81 18.635 -15.150 3.568 1.00 74.30 H new ATOM 1039 N PHE A 82 20.386 -11.967 1.294 1.00 55.20 N ATOM 1040 CA PHE A 82 20.770 -10.624 0.874 1.00 22.44 C ATOM 1041 C PHE A 82 19.604 -9.652 1.027 1.00 11.02 C ATOM 1042 O PHE A 82 19.803 -8.448 1.184 1.00 63.43 O ATOM 1043 CB PHE A 82 21.249 -10.639 -0.579 1.00 4.42 C ATOM 1044 CG PHE A 82 21.890 -9.350 -1.012 1.00 22.31 C ATOM 1045 CD1 PHE A 82 21.155 -8.388 -1.685 1.00 43.25 C ATOM 1046 CD2 PHE A 82 23.227 -9.102 -0.745 1.00 33.33 C ATOM 1047 CE1 PHE A 82 21.742 -7.201 -2.084 1.00 70.14 C ATOM 1048 CE2 PHE A 82 23.819 -7.919 -1.140 1.00 14.41 C ATOM 1049 CZ PHE A 82 23.075 -6.967 -1.812 1.00 45.52 C ATOM 0 H PHE A 82 19.415 -12.209 1.096 1.00 55.20 H new ATOM 0 HA PHE A 82 21.586 -10.289 1.515 1.00 22.44 H new ATOM 0 HB2 PHE A 82 21.963 -11.452 -0.710 1.00 4.42 H new ATOM 0 HB3 PHE A 82 20.401 -10.851 -1.231 1.00 4.42 H new ATOM 0 HD1 PHE A 82 20.112 -8.567 -1.901 1.00 43.25 H new ATOM 0 HD2 PHE A 82 23.813 -9.843 -0.222 1.00 33.33 H new ATOM 0 HE1 PHE A 82 21.158 -6.458 -2.608 1.00 70.14 H new ATOM 0 HE2 PHE A 82 24.862 -7.738 -0.924 1.00 14.41 H new ATOM 0 HZ PHE A 82 23.536 -6.041 -2.124 1.00 45.52 H new TER 1059 PHE A 82