USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=15 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 25 TYR OH : rot -159:sc= 0.243 USER MOD Set 1.2: A 80 GLN : amide:sc= -0.209 X(o=0.034,f=0.38) USER MOD Single : A 23 HIS : no HE2:sc= -0.831 K(o=-0.83,f=-3.3!) USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0174) USER MOD Single : A 30 THR OG1 : rot 83:sc= -1.45 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 160:sc= 0.443 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -53:sc= -0.825 USER MOD Single : A 42 THR OG1 : rot -24:sc= 0.132 USER MOD Single : A 47 TYR OH : rot 60:sc= -3.2 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 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 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 84:sc= 0.0944 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.863 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 72 GLN : amide:sc= 0 X(o=0,f=-0.25!) USER MOD Single : A 73 ASN : amide:sc= -0.513 K(o=-0.51,f=-1.2) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -137:sc= 0.761 (180deg=-0.37) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 20 18.265 -8.556 20.432 1.00 13.42 N ATOM 2 CA LEU A 20 17.120 -8.287 19.568 1.00 3.33 C ATOM 3 C LEU A 20 16.600 -9.574 18.938 1.00 72.35 C ATOM 4 O LEU A 20 17.308 -10.576 18.838 1.00 22.43 O ATOM 5 CB LEU A 20 17.505 -7.289 18.475 1.00 41.23 C ATOM 6 CG LEU A 20 18.918 -7.427 17.907 1.00 2.22 C ATOM 7 CD1 LEU A 20 19.086 -8.770 17.214 1.00 23.12 C ATOM 8 CD2 LEU A 20 19.220 -6.287 16.945 1.00 4.14 C ATOM 0 HA LEU A 20 16.327 -7.858 20.180 1.00 3.33 H new ATOM 0 HB2 LEU A 20 16.794 -7.387 17.655 1.00 41.23 H new ATOM 0 HB3 LEU A 20 17.393 -6.281 18.875 1.00 41.23 H new ATOM 0 HG LEU A 20 19.627 -7.376 18.733 1.00 2.22 H new ATOM 0 HD11 LEU A 20 20.098 -8.850 16.816 1.00 23.12 H new ATOM 0 HD12 LEU A 20 18.913 -9.573 17.930 1.00 23.12 H new ATOM 0 HD13 LEU A 20 18.368 -8.851 16.398 1.00 23.12 H new ATOM 0 HD21 LEU A 20 20.230 -6.402 16.551 1.00 4.14 H new ATOM 0 HD22 LEU A 20 18.505 -6.306 16.123 1.00 4.14 H new ATOM 0 HD23 LEU A 20 19.142 -5.336 17.472 1.00 4.14 H new ATOM 20 N PRO A 21 15.333 -9.548 18.498 1.00 33.34 N ATOM 21 CA PRO A 21 14.690 -10.705 17.867 1.00 40.53 C ATOM 22 C PRO A 21 15.265 -11.006 16.487 1.00 3.40 C ATOM 23 O PRO A 21 15.652 -10.096 15.754 1.00 62.34 O ATOM 24 CB PRO A 21 13.224 -10.278 17.753 1.00 4.44 C ATOM 25 CG PRO A 21 13.265 -8.789 17.722 1.00 11.23 C ATOM 26 CD PRO A 21 14.430 -8.388 18.584 1.00 21.11 C ATOM 0 HA PRO A 21 14.839 -11.618 18.443 1.00 40.53 H new ATOM 0 HB2 PRO A 21 12.763 -10.680 16.851 1.00 4.44 H new ATOM 0 HB3 PRO A 21 12.639 -10.641 18.598 1.00 4.44 H new ATOM 0 HG2 PRO A 21 13.390 -8.423 16.703 1.00 11.23 H new ATOM 0 HG3 PRO A 21 12.335 -8.365 18.101 1.00 11.23 H new ATOM 0 HD2 PRO A 21 14.907 -7.479 18.217 1.00 21.11 H new ATOM 0 HD3 PRO A 21 14.122 -8.194 19.611 1.00 21.11 H new ATOM 34 N ALA A 22 15.318 -12.287 16.140 1.00 62.32 N ATOM 35 CA ALA A 22 15.844 -12.707 14.847 1.00 70.51 C ATOM 36 C ALA A 22 14.846 -13.596 14.111 1.00 44.51 C ATOM 37 O ALA A 22 13.878 -14.078 14.699 1.00 61.42 O ATOM 38 CB ALA A 22 17.168 -13.435 15.027 1.00 43.42 C ATOM 0 H ALA A 22 15.003 -13.052 16.736 1.00 62.32 H new ATOM 0 HA ALA A 22 16.011 -11.815 14.243 1.00 70.51 H new ATOM 0 HB1 ALA A 22 17.549 -13.743 14.053 1.00 43.42 H new ATOM 0 HB2 ALA A 22 17.887 -12.769 15.504 1.00 43.42 H new ATOM 0 HB3 ALA A 22 17.017 -14.315 15.652 1.00 43.42 H new ATOM 44 N HIS A 23 15.088 -13.807 12.821 1.00 44.40 N ATOM 45 CA HIS A 23 14.210 -14.637 12.004 1.00 24.14 C ATOM 46 C HIS A 23 14.959 -15.852 11.465 1.00 32.53 C ATOM 47 O HIS A 23 16.146 -15.789 11.146 1.00 23.45 O ATOM 48 CB HIS A 23 13.635 -13.822 10.845 1.00 24.34 C ATOM 49 CG HIS A 23 13.212 -12.440 11.237 1.00 21.10 C ATOM 50 ND1 HIS A 23 12.266 -12.190 12.209 1.00 42.54 N ATOM 51 CD2 HIS A 23 13.613 -11.229 10.783 1.00 31.52 C ATOM 52 CE1 HIS A 23 12.102 -10.885 12.334 1.00 2.32 C ATOM 53 NE2 HIS A 23 12.908 -10.279 11.481 1.00 62.43 N ATOM 0 H HIS A 23 15.885 -13.415 12.319 1.00 44.40 H new ATOM 0 HA HIS A 23 13.391 -14.986 12.633 1.00 24.14 H new ATOM 0 HB2 HIS A 23 14.382 -13.754 10.054 1.00 24.34 H new ATOM 0 HB3 HIS A 23 12.778 -14.351 10.429 1.00 24.34 H new ATOM 0 HD1 HIS A 23 11.771 -12.901 12.747 1.00 42.54 H new ATOM 0 HD2 HIS A 23 14.350 -11.044 10.015 1.00 31.52 H new ATOM 0 HE1 HIS A 23 11.424 -10.396 13.018 1.00 2.32 H new ATOM 61 N PRO A 24 14.250 -16.986 11.361 1.00 31.41 N ATOM 62 CA PRO A 24 14.827 -18.238 10.861 1.00 2.31 C ATOM 63 C PRO A 24 15.136 -18.178 9.369 1.00 30.20 C ATOM 64 O PRO A 24 14.538 -17.394 8.632 1.00 0.53 O ATOM 65 CB PRO A 24 13.732 -19.270 11.140 1.00 53.13 C ATOM 66 CG PRO A 24 12.467 -18.483 11.165 1.00 2.34 C ATOM 67 CD PRO A 24 12.830 -17.134 11.723 1.00 62.12 C ATOM 0 HA PRO A 24 15.779 -18.468 11.339 1.00 2.31 H new ATOM 0 HB2 PRO A 24 13.705 -20.038 10.367 1.00 53.13 H new ATOM 0 HB3 PRO A 24 13.900 -19.779 12.089 1.00 53.13 H new ATOM 0 HG2 PRO A 24 12.045 -18.391 10.164 1.00 2.34 H new ATOM 0 HG3 PRO A 24 11.715 -18.972 11.784 1.00 2.34 H new ATOM 0 HD2 PRO A 24 12.220 -16.342 11.289 1.00 62.12 H new ATOM 0 HD3 PRO A 24 12.684 -17.093 12.802 1.00 62.12 H new ATOM 75 N TYR A 25 16.072 -19.012 8.930 1.00 41.12 N ATOM 76 CA TYR A 25 16.461 -19.052 7.525 1.00 24.53 C ATOM 77 C TYR A 25 15.325 -19.589 6.660 1.00 22.42 C ATOM 78 O TYR A 25 15.157 -19.179 5.512 1.00 52.41 O ATOM 79 CB TYR A 25 17.708 -19.920 7.345 1.00 44.12 C ATOM 80 CG TYR A 25 18.179 -20.012 5.911 1.00 23.40 C ATOM 81 CD1 TYR A 25 17.592 -20.905 5.023 1.00 51.03 C ATOM 82 CD2 TYR A 25 19.212 -19.208 5.445 1.00 60.41 C ATOM 83 CE1 TYR A 25 18.019 -20.994 3.712 1.00 43.41 C ATOM 84 CE2 TYR A 25 19.645 -19.289 4.136 1.00 72.25 C ATOM 85 CZ TYR A 25 19.046 -20.183 3.273 1.00 34.30 C ATOM 86 OH TYR A 25 19.475 -20.268 1.968 1.00 12.23 O ATOM 0 H TYR A 25 16.575 -19.669 9.526 1.00 41.12 H new ATOM 0 HA TYR A 25 16.685 -18.034 7.207 1.00 24.53 H new ATOM 0 HB2 TYR A 25 18.514 -19.516 7.958 1.00 44.12 H new ATOM 0 HB3 TYR A 25 17.499 -20.924 7.715 1.00 44.12 H new ATOM 0 HD1 TYR A 25 16.788 -21.541 5.363 1.00 51.03 H new ATOM 0 HD2 TYR A 25 19.684 -18.508 6.118 1.00 60.41 H new ATOM 0 HE1 TYR A 25 17.552 -21.694 3.035 1.00 43.41 H new ATOM 0 HE2 TYR A 25 20.448 -18.656 3.790 1.00 72.25 H new ATOM 0 HH TYR A 25 20.383 -19.905 1.898 1.00 12.23 H new ATOM 96 N ASP A 26 14.548 -20.510 7.221 1.00 41.44 N ATOM 97 CA ASP A 26 13.426 -21.103 6.503 1.00 51.23 C ATOM 98 C ASP A 26 12.424 -20.033 6.080 1.00 1.44 C ATOM 99 O ASP A 26 11.714 -20.190 5.087 1.00 63.31 O ATOM 100 CB ASP A 26 12.733 -22.152 7.373 1.00 22.24 C ATOM 101 CG ASP A 26 12.010 -23.200 6.551 1.00 34.54 C ATOM 102 OD1 ASP A 26 12.333 -24.398 6.698 1.00 4.13 O ATOM 103 OD2 ASP A 26 11.119 -22.824 5.762 1.00 52.33 O ATOM 0 H ASP A 26 14.675 -20.862 8.170 1.00 41.44 H new ATOM 0 HA ASP A 26 13.815 -21.585 5.606 1.00 51.23 H new ATOM 0 HB2 ASP A 26 13.473 -22.639 8.008 1.00 22.24 H new ATOM 0 HB3 ASP A 26 12.021 -21.658 8.034 1.00 22.24 H new ATOM 108 N ARG A 27 12.372 -18.945 6.842 1.00 13.11 N ATOM 109 CA ARG A 27 11.455 -17.850 6.548 1.00 3.31 C ATOM 110 C ARG A 27 12.180 -16.710 5.837 1.00 31.34 C ATOM 111 O ARG A 27 11.558 -15.892 5.159 1.00 14.34 O ATOM 112 CB ARG A 27 10.813 -17.334 7.837 1.00 33.32 C ATOM 113 CG ARG A 27 9.351 -16.950 7.678 1.00 72.24 C ATOM 114 CD ARG A 27 8.430 -18.000 8.280 1.00 1.33 C ATOM 115 NE ARG A 27 7.878 -17.572 9.563 1.00 61.01 N ATOM 116 CZ ARG A 27 6.839 -16.752 9.679 1.00 23.33 C ATOM 117 NH1 ARG A 27 6.243 -16.275 8.596 1.00 51.32 N ATOM 118 NH2 ARG A 27 6.395 -16.409 10.882 1.00 71.15 N ATOM 0 H ARG A 27 12.954 -18.798 7.667 1.00 13.11 H new ATOM 0 HA ARG A 27 10.675 -18.230 5.888 1.00 3.31 H new ATOM 0 HB2 ARG A 27 10.897 -18.101 8.607 1.00 33.32 H new ATOM 0 HB3 ARG A 27 11.371 -16.467 8.189 1.00 33.32 H new ATOM 0 HG2 ARG A 27 9.172 -15.989 8.159 1.00 72.24 H new ATOM 0 HG3 ARG A 27 9.120 -16.825 6.620 1.00 72.24 H new ATOM 0 HD2 ARG A 27 7.616 -18.209 7.586 1.00 1.33 H new ATOM 0 HD3 ARG A 27 8.981 -18.931 8.415 1.00 1.33 H new ATOM 0 HE ARG A 27 8.314 -17.922 10.416 1.00 61.01 H new ATOM 0 HH11 ARG A 27 6.582 -16.537 7.670 1.00 51.32 H new ATOM 0 HH12 ARG A 27 5.446 -15.646 8.688 1.00 51.32 H new ATOM 0 HH21 ARG A 27 6.851 -16.775 11.718 1.00 71.15 H new ATOM 0 HH22 ARG A 27 5.597 -15.779 10.971 1.00 71.15 H new ATOM 132 N LEU A 28 13.498 -16.663 5.998 1.00 72.45 N ATOM 133 CA LEU A 28 14.308 -15.624 5.372 1.00 60.23 C ATOM 134 C LEU A 28 14.808 -16.074 4.003 1.00 42.02 C ATOM 135 O LEU A 28 15.299 -17.192 3.845 1.00 34.33 O ATOM 136 CB LEU A 28 15.494 -15.266 6.268 1.00 5.23 C ATOM 137 CG LEU A 28 15.791 -13.774 6.425 1.00 14.13 C ATOM 138 CD1 LEU A 28 14.933 -13.173 7.528 1.00 51.52 C ATOM 139 CD2 LEU A 28 17.268 -13.551 6.715 1.00 71.02 C ATOM 0 H LEU A 28 14.028 -17.332 6.556 1.00 72.45 H new ATOM 0 HA LEU A 28 13.682 -14.742 5.238 1.00 60.23 H new ATOM 0 HB2 LEU A 28 15.316 -15.687 7.258 1.00 5.23 H new ATOM 0 HB3 LEU A 28 16.384 -15.753 5.870 1.00 5.23 H new ATOM 0 HG LEU A 28 15.546 -13.274 5.488 1.00 14.13 H new ATOM 0 HD11 LEU A 28 15.158 -12.111 7.626 1.00 51.52 H new ATOM 0 HD12 LEU A 28 13.879 -13.300 7.279 1.00 51.52 H new ATOM 0 HD13 LEU A 28 15.146 -13.677 8.471 1.00 51.52 H new ATOM 0 HD21 LEU A 28 17.460 -12.484 6.824 1.00 71.02 H new ATOM 0 HD22 LEU A 28 17.539 -14.064 7.638 1.00 71.02 H new ATOM 0 HD23 LEU A 28 17.864 -13.945 5.892 1.00 71.02 H new ATOM 151 N LYS A 29 14.683 -15.195 3.015 1.00 52.34 N ATOM 152 CA LYS A 29 15.125 -15.498 1.659 1.00 72.43 C ATOM 153 C LYS A 29 16.007 -14.381 1.111 1.00 25.41 C ATOM 154 O LYS A 29 16.049 -13.281 1.663 1.00 61.21 O ATOM 155 CB LYS A 29 13.918 -15.705 0.741 1.00 33.41 C ATOM 156 CG LYS A 29 14.088 -16.853 -0.239 1.00 24.20 C ATOM 157 CD LYS A 29 13.209 -18.036 0.129 1.00 33.22 C ATOM 158 CE LYS A 29 11.738 -17.732 -0.109 1.00 74.32 C ATOM 159 NZ LYS A 29 10.952 -17.770 1.155 1.00 14.31 N ATOM 0 H LYS A 29 14.279 -14.265 3.128 1.00 52.34 H new ATOM 0 HA LYS A 29 15.711 -16.417 1.692 1.00 72.43 H new ATOM 0 HB2 LYS A 29 13.034 -15.888 1.352 1.00 33.41 H new ATOM 0 HB3 LYS A 29 13.735 -14.787 0.183 1.00 33.41 H new ATOM 0 HG2 LYS A 29 13.840 -16.514 -1.245 1.00 24.20 H new ATOM 0 HG3 LYS A 29 15.132 -17.166 -0.256 1.00 24.20 H new ATOM 0 HD2 LYS A 29 13.502 -18.905 -0.460 1.00 33.22 H new ATOM 0 HD3 LYS A 29 13.364 -18.294 1.177 1.00 33.22 H new ATOM 0 HE2 LYS A 29 11.640 -16.748 -0.568 1.00 74.32 H new ATOM 0 HE3 LYS A 29 11.327 -18.455 -0.814 1.00 74.32 H new ATOM 0 HZ1 LYS A 29 10.049 -17.273 1.017 1.00 14.31 H new ATOM 0 HZ2 LYS A 29 10.767 -18.759 1.419 1.00 14.31 H new ATOM 0 HZ3 LYS A 29 11.491 -17.304 1.913 1.00 14.31 H new ATOM 173 N THR A 30 16.712 -14.670 0.021 1.00 32.21 N ATOM 174 CA THR A 30 17.593 -13.690 -0.601 1.00 60.42 C ATOM 175 C THR A 30 16.807 -12.485 -1.103 1.00 41.52 C ATOM 176 O THR A 30 17.242 -11.342 -0.958 1.00 3.33 O ATOM 177 CB THR A 30 18.375 -14.305 -1.777 1.00 71.14 C ATOM 178 OG1 THR A 30 18.251 -15.732 -1.756 1.00 11.50 O ATOM 179 CG2 THR A 30 19.845 -13.918 -1.712 1.00 14.24 C ATOM 0 H THR A 30 16.690 -15.575 -0.449 1.00 32.21 H new ATOM 0 HA THR A 30 18.298 -13.367 0.165 1.00 60.42 H new ATOM 0 HB THR A 30 17.954 -13.918 -2.705 1.00 71.14 H new ATOM 0 HG1 THR A 30 17.410 -15.994 -2.185 1.00 11.50 H new ATOM 0 HG21 THR A 30 20.376 -14.364 -2.553 1.00 14.24 H new ATOM 0 HG22 THR A 30 19.938 -12.833 -1.759 1.00 14.24 H new ATOM 0 HG23 THR A 30 20.275 -14.279 -0.778 1.00 14.24 H new ATOM 187 N THR A 31 15.646 -12.745 -1.695 1.00 35.50 N ATOM 188 CA THR A 31 14.799 -11.681 -2.219 1.00 73.41 C ATOM 189 C THR A 31 13.372 -11.807 -1.698 1.00 73.41 C ATOM 190 O THR A 31 12.410 -11.653 -2.451 1.00 20.31 O ATOM 191 CB THR A 31 14.774 -11.691 -3.759 1.00 55.42 C ATOM 192 OG1 THR A 31 14.538 -13.020 -4.237 1.00 41.34 O ATOM 193 CG2 THR A 31 16.085 -11.168 -4.325 1.00 42.40 C ATOM 0 H THR A 31 15.270 -13.685 -1.824 1.00 35.50 H new ATOM 0 HA THR A 31 15.226 -10.739 -1.876 1.00 73.41 H new ATOM 0 HB THR A 31 13.967 -11.038 -4.091 1.00 55.42 H new ATOM 0 HG1 THR A 31 14.522 -13.017 -5.217 1.00 41.34 H new ATOM 0 HG21 THR A 31 16.043 -11.185 -5.414 1.00 42.40 H new ATOM 0 HG22 THR A 31 16.247 -10.146 -3.984 1.00 42.40 H new ATOM 0 HG23 THR A 31 16.906 -11.798 -3.984 1.00 42.40 H new ATOM 201 N SER A 32 13.241 -12.088 -0.405 1.00 42.14 N ATOM 202 CA SER A 32 11.930 -12.238 0.216 1.00 44.42 C ATOM 203 C SER A 32 11.419 -10.897 0.734 1.00 33.13 C ATOM 204 O SER A 32 12.201 -10.022 1.107 1.00 51.22 O ATOM 205 CB SER A 32 11.998 -13.248 1.362 1.00 23.42 C ATOM 206 OG SER A 32 11.112 -12.893 2.409 1.00 0.51 O ATOM 0 H SER A 32 14.027 -12.216 0.233 1.00 42.14 H new ATOM 0 HA SER A 32 11.236 -12.604 -0.540 1.00 44.42 H new ATOM 0 HB2 SER A 32 11.747 -14.241 0.990 1.00 23.42 H new ATOM 0 HB3 SER A 32 13.017 -13.299 1.746 1.00 23.42 H new ATOM 0 HG SER A 32 10.928 -13.680 2.963 1.00 0.51 H new ATOM 212 N THR A 33 10.098 -10.743 0.756 1.00 43.25 N ATOM 213 CA THR A 33 9.480 -9.510 1.227 1.00 44.14 C ATOM 214 C THR A 33 8.808 -9.714 2.579 1.00 12.13 C ATOM 215 O THR A 33 8.074 -8.847 3.056 1.00 64.35 O ATOM 216 CB THR A 33 8.438 -8.984 0.222 1.00 72.43 C ATOM 217 OG1 THR A 33 8.513 -9.731 -0.998 1.00 4.11 O ATOM 218 CG2 THR A 33 8.661 -7.508 -0.067 1.00 11.40 C ATOM 0 H THR A 33 9.436 -11.457 0.453 1.00 43.25 H new ATOM 0 HA THR A 33 10.278 -8.775 1.329 1.00 44.14 H new ATOM 0 HB THR A 33 7.448 -9.106 0.662 1.00 72.43 H new ATOM 0 HG1 THR A 33 7.846 -9.392 -1.631 1.00 4.11 H new ATOM 0 HG21 THR A 33 7.913 -7.160 -0.779 1.00 11.40 H new ATOM 0 HG22 THR A 33 8.574 -6.939 0.858 1.00 11.40 H new ATOM 0 HG23 THR A 33 9.656 -7.366 -0.488 1.00 11.40 H new ATOM 226 N ASP A 34 9.063 -10.864 3.194 1.00 54.31 N ATOM 227 CA ASP A 34 8.483 -11.181 4.494 1.00 53.31 C ATOM 228 C ASP A 34 8.735 -10.054 5.491 1.00 51.23 C ATOM 229 O ASP A 34 9.626 -9.223 5.313 1.00 15.51 O ATOM 230 CB ASP A 34 9.063 -12.491 5.029 1.00 54.10 C ATOM 231 CG ASP A 34 8.230 -13.696 4.636 1.00 44.43 C ATOM 232 OD1 ASP A 34 7.818 -13.774 3.459 1.00 13.34 O ATOM 233 OD2 ASP A 34 7.993 -14.561 5.504 1.00 54.20 O ATOM 0 H ASP A 34 9.667 -11.592 2.813 1.00 54.31 H new ATOM 0 HA ASP A 34 7.407 -11.295 4.366 1.00 53.31 H new ATOM 0 HB2 ASP A 34 10.078 -12.616 4.652 1.00 54.10 H new ATOM 0 HB3 ASP A 34 9.130 -12.438 6.116 1.00 54.10 H new ATOM 238 N PRO A 35 7.932 -10.023 6.565 1.00 41.22 N ATOM 239 CA PRO A 35 8.049 -9.002 7.611 1.00 75.51 C ATOM 240 C PRO A 35 9.317 -9.166 8.442 1.00 53.04 C ATOM 241 O PRO A 35 9.873 -10.260 8.535 1.00 33.34 O ATOM 242 CB PRO A 35 6.808 -9.239 8.476 1.00 3.34 C ATOM 243 CG PRO A 35 6.463 -10.672 8.261 1.00 44.10 C ATOM 244 CD PRO A 35 6.849 -10.982 6.841 1.00 4.21 C ATOM 0 HA PRO A 35 8.111 -7.996 7.195 1.00 75.51 H new ATOM 0 HB2 PRO A 35 7.013 -9.035 9.527 1.00 3.34 H new ATOM 0 HB3 PRO A 35 5.988 -8.586 8.179 1.00 3.34 H new ATOM 0 HG2 PRO A 35 7.001 -11.312 8.960 1.00 44.10 H new ATOM 0 HG3 PRO A 35 5.399 -10.846 8.423 1.00 44.10 H new ATOM 0 HD2 PRO A 35 7.187 -12.012 6.732 1.00 4.21 H new ATOM 0 HD3 PRO A 35 6.010 -10.848 6.158 1.00 4.21 H new ATOM 252 N VAL A 36 9.770 -8.071 9.044 1.00 53.23 N ATOM 253 CA VAL A 36 10.972 -8.093 9.868 1.00 31.32 C ATOM 254 C VAL A 36 10.784 -7.269 11.137 1.00 51.44 C ATOM 255 O VAL A 36 9.775 -6.582 11.299 1.00 45.31 O ATOM 256 CB VAL A 36 12.192 -7.557 9.096 1.00 0.13 C ATOM 257 CG1 VAL A 36 12.785 -8.643 8.212 1.00 75.41 C ATOM 258 CG2 VAL A 36 11.806 -6.338 8.272 1.00 65.02 C ATOM 0 H VAL A 36 9.322 -7.157 8.976 1.00 53.23 H new ATOM 0 HA VAL A 36 11.151 -9.134 10.138 1.00 31.32 H new ATOM 0 HB VAL A 36 12.952 -7.255 9.816 1.00 0.13 H new ATOM 0 HG11 VAL A 36 13.646 -8.245 7.675 1.00 75.41 H new ATOM 0 HG12 VAL A 36 13.100 -9.484 8.830 1.00 75.41 H new ATOM 0 HG13 VAL A 36 12.035 -8.980 7.497 1.00 75.41 H new ATOM 0 HG21 VAL A 36 12.680 -5.972 7.733 1.00 65.02 H new ATOM 0 HG22 VAL A 36 11.028 -6.612 7.559 1.00 65.02 H new ATOM 0 HG23 VAL A 36 11.433 -5.555 8.933 1.00 65.02 H new ATOM 268 N SER A 37 11.762 -7.341 12.033 1.00 23.14 N ATOM 269 CA SER A 37 11.704 -6.604 13.290 1.00 15.40 C ATOM 270 C SER A 37 12.311 -5.213 13.133 1.00 51.14 C ATOM 271 O SER A 37 12.560 -4.517 14.117 1.00 33.12 O ATOM 272 CB SER A 37 12.437 -7.371 14.391 1.00 24.42 C ATOM 273 OG SER A 37 11.834 -7.152 15.655 1.00 42.04 O ATOM 0 H SER A 37 12.605 -7.903 11.912 1.00 23.14 H new ATOM 0 HA SER A 37 10.656 -6.495 13.570 1.00 15.40 H new ATOM 0 HB2 SER A 37 12.431 -8.437 14.162 1.00 24.42 H new ATOM 0 HB3 SER A 37 13.481 -7.058 14.423 1.00 24.42 H new ATOM 0 HG SER A 37 11.756 -6.189 15.818 1.00 42.04 H new ATOM 279 N ASP A 38 12.547 -4.815 11.887 1.00 21.13 N ATOM 280 CA ASP A 38 13.124 -3.507 11.599 1.00 64.41 C ATOM 281 C ASP A 38 14.560 -3.423 12.109 1.00 53.33 C ATOM 282 O ASP A 38 14.831 -2.780 13.124 1.00 62.53 O ATOM 283 CB ASP A 38 12.279 -2.402 12.233 1.00 52.21 C ATOM 284 CG ASP A 38 12.483 -1.059 11.560 1.00 51.21 C ATOM 285 OD1 ASP A 38 11.742 -0.110 11.892 1.00 1.40 O ATOM 286 OD2 ASP A 38 13.384 -0.957 10.702 1.00 40.43 O ATOM 0 H ASP A 38 12.348 -5.379 11.061 1.00 21.13 H new ATOM 0 HA ASP A 38 13.133 -3.371 10.518 1.00 64.41 H new ATOM 0 HB2 ASP A 38 11.226 -2.677 12.177 1.00 52.21 H new ATOM 0 HB3 ASP A 38 12.531 -2.317 13.290 1.00 52.21 H new ATOM 291 N ILE A 39 15.474 -4.075 11.399 1.00 72.33 N ATOM 292 CA ILE A 39 16.881 -4.073 11.780 1.00 73.34 C ATOM 293 C ILE A 39 17.767 -3.669 10.607 1.00 62.15 C ATOM 294 O ILE A 39 17.276 -3.228 9.567 1.00 3.23 O ATOM 295 CB ILE A 39 17.327 -5.455 12.293 1.00 32.03 C ATOM 296 CG1 ILE A 39 16.215 -6.485 12.082 1.00 21.04 C ATOM 297 CG2 ILE A 39 17.710 -5.375 13.763 1.00 22.04 C ATOM 298 CD1 ILE A 39 16.560 -7.862 12.606 1.00 52.23 C ATOM 0 H ILE A 39 15.266 -4.611 10.557 1.00 72.33 H new ATOM 0 HA ILE A 39 16.990 -3.344 12.583 1.00 73.34 H new ATOM 0 HB ILE A 39 18.202 -5.772 11.726 1.00 32.03 H new ATOM 0 HG12 ILE A 39 15.308 -6.134 12.574 1.00 21.04 H new ATOM 0 HG13 ILE A 39 15.993 -6.555 11.017 1.00 21.04 H new ATOM 0 HG21 ILE A 39 18.023 -6.359 14.112 1.00 22.04 H new ATOM 0 HG22 ILE A 39 18.530 -4.668 13.887 1.00 22.04 H new ATOM 0 HG23 ILE A 39 16.851 -5.040 14.345 1.00 22.04 H new ATOM 0 HD11 ILE A 39 15.727 -8.540 12.423 1.00 52.23 H new ATOM 0 HD12 ILE A 39 17.449 -8.233 12.096 1.00 52.23 H new ATOM 0 HD13 ILE A 39 16.753 -7.806 13.677 1.00 52.23 H new ATOM 310 N ASP A 40 19.075 -3.824 10.780 1.00 61.43 N ATOM 311 CA ASP A 40 20.031 -3.478 9.734 1.00 22.42 C ATOM 312 C ASP A 40 19.582 -4.027 8.384 1.00 54.14 C ATOM 313 O ASP A 40 19.794 -5.200 8.076 1.00 0.12 O ATOM 314 CB ASP A 40 21.418 -4.020 10.083 1.00 64.35 C ATOM 315 CG ASP A 40 21.925 -3.502 11.414 1.00 33.34 C ATOM 316 OD1 ASP A 40 22.356 -2.331 11.471 1.00 75.30 O ATOM 317 OD2 ASP A 40 21.889 -4.268 12.400 1.00 2.43 O ATOM 0 H ASP A 40 19.498 -4.187 11.634 1.00 61.43 H new ATOM 0 HA ASP A 40 20.080 -2.391 9.665 1.00 22.42 H new ATOM 0 HB2 ASP A 40 21.383 -5.109 10.110 1.00 64.35 H new ATOM 0 HB3 ASP A 40 22.121 -3.743 9.297 1.00 64.35 H new ATOM 322 N VAL A 41 18.958 -3.170 7.581 1.00 61.44 N ATOM 323 CA VAL A 41 18.478 -3.569 6.263 1.00 42.23 C ATOM 324 C VAL A 41 19.626 -4.051 5.383 1.00 51.24 C ATOM 325 O VAL A 41 19.503 -5.051 4.675 1.00 63.31 O ATOM 326 CB VAL A 41 17.755 -2.408 5.554 1.00 21.03 C ATOM 327 CG1 VAL A 41 17.338 -2.817 4.150 1.00 53.52 C ATOM 328 CG2 VAL A 41 16.551 -1.956 6.367 1.00 42.32 C ATOM 0 H VAL A 41 18.773 -2.196 7.820 1.00 61.44 H new ATOM 0 HA VAL A 41 17.774 -4.386 6.417 1.00 42.23 H new ATOM 0 HB VAL A 41 18.445 -1.568 5.471 1.00 21.03 H new ATOM 0 HG11 VAL A 41 16.829 -1.984 3.665 1.00 53.52 H new ATOM 0 HG12 VAL A 41 18.222 -3.088 3.572 1.00 53.52 H new ATOM 0 HG13 VAL A 41 16.664 -3.672 4.205 1.00 53.52 H new ATOM 0 HG21 VAL A 41 16.052 -1.135 5.852 1.00 42.32 H new ATOM 0 HG22 VAL A 41 15.857 -2.788 6.482 1.00 42.32 H new ATOM 0 HG23 VAL A 41 16.881 -1.620 7.350 1.00 42.32 H new ATOM 338 N THR A 42 20.744 -3.333 5.431 1.00 13.31 N ATOM 339 CA THR A 42 21.914 -3.686 4.638 1.00 22.20 C ATOM 340 C THR A 42 22.507 -5.014 5.095 1.00 62.24 C ATOM 341 O THR A 42 23.278 -5.643 4.369 1.00 4.53 O ATOM 342 CB THR A 42 23.000 -2.596 4.722 1.00 74.41 C ATOM 343 OG1 THR A 42 24.158 -3.001 3.983 1.00 12.42 O ATOM 344 CG2 THR A 42 23.384 -2.326 6.169 1.00 52.53 C ATOM 0 H THR A 42 20.863 -2.503 6.012 1.00 13.31 H new ATOM 0 HA THR A 42 21.580 -3.776 3.604 1.00 22.20 H new ATOM 0 HB THR A 42 22.598 -1.679 4.292 1.00 74.41 H new ATOM 0 HG1 THR A 42 24.177 -3.978 3.915 1.00 12.42 H new ATOM 0 HG21 THR A 42 24.152 -1.553 6.204 1.00 52.53 H new ATOM 0 HG22 THR A 42 22.507 -1.991 6.722 1.00 52.53 H new ATOM 0 HG23 THR A 42 23.769 -3.241 6.620 1.00 52.53 H new ATOM 352 N ARG A 43 22.142 -5.437 6.301 1.00 50.53 N ATOM 353 CA ARG A 43 22.639 -6.691 6.854 1.00 52.41 C ATOM 354 C ARG A 43 21.487 -7.645 7.158 1.00 45.33 C ATOM 355 O ARG A 43 21.438 -8.253 8.227 1.00 63.43 O ATOM 356 CB ARG A 43 23.446 -6.427 8.126 1.00 1.03 C ATOM 357 CG ARG A 43 24.462 -5.306 7.982 1.00 50.43 C ATOM 358 CD ARG A 43 25.566 -5.416 9.022 1.00 74.20 C ATOM 359 NE ARG A 43 25.079 -5.129 10.369 1.00 42.43 N ATOM 360 CZ ARG A 43 25.876 -4.850 11.394 1.00 23.11 C ATOM 361 NH1 ARG A 43 27.191 -4.821 11.227 1.00 23.31 N ATOM 362 NH2 ARG A 43 25.358 -4.599 12.590 1.00 63.23 N ATOM 0 H ARG A 43 21.504 -4.929 6.914 1.00 50.53 H new ATOM 0 HA ARG A 43 23.287 -7.156 6.111 1.00 52.41 H new ATOM 0 HB2 ARG A 43 22.760 -6.182 8.937 1.00 1.03 H new ATOM 0 HB3 ARG A 43 23.965 -7.341 8.413 1.00 1.03 H new ATOM 0 HG2 ARG A 43 24.898 -5.335 6.983 1.00 50.43 H new ATOM 0 HG3 ARG A 43 23.960 -4.344 8.083 1.00 50.43 H new ATOM 0 HD2 ARG A 43 25.990 -6.420 8.996 1.00 74.20 H new ATOM 0 HD3 ARG A 43 26.370 -4.724 8.772 1.00 74.20 H new ATOM 0 HE ARG A 43 24.072 -5.144 10.531 1.00 42.43 H new ATOM 0 HH11 ARG A 43 27.593 -5.013 10.309 1.00 23.31 H new ATOM 0 HH12 ARG A 43 27.801 -4.606 12.016 1.00 23.31 H new ATOM 0 HH21 ARG A 43 24.347 -4.620 12.723 1.00 63.23 H new ATOM 0 HH22 ARG A 43 25.971 -4.385 13.377 1.00 63.23 H new ATOM 376 N ARG A 44 20.563 -7.769 6.211 1.00 64.33 N ATOM 377 CA ARG A 44 19.412 -8.648 6.378 1.00 52.42 C ATOM 378 C ARG A 44 19.852 -10.046 6.800 1.00 34.34 C ATOM 379 O ARG A 44 19.205 -10.686 7.629 1.00 71.21 O ATOM 380 CB ARG A 44 18.609 -8.725 5.078 1.00 45.35 C ATOM 381 CG ARG A 44 17.399 -9.640 5.162 1.00 11.12 C ATOM 382 CD ARG A 44 16.101 -8.848 5.166 1.00 51.35 C ATOM 383 NE ARG A 44 15.276 -9.145 3.998 1.00 55.42 N ATOM 384 CZ ARG A 44 15.447 -8.571 2.812 1.00 74.01 C ATOM 385 NH1 ARG A 44 16.408 -7.675 2.638 1.00 64.23 N ATOM 386 NH2 ARG A 44 14.655 -8.894 1.797 1.00 11.32 N ATOM 0 H ARG A 44 20.589 -7.272 5.321 1.00 64.33 H new ATOM 0 HA ARG A 44 18.780 -8.232 7.163 1.00 52.42 H new ATOM 0 HB2 ARG A 44 18.278 -7.723 4.806 1.00 45.35 H new ATOM 0 HB3 ARG A 44 19.262 -9.073 4.278 1.00 45.35 H new ATOM 0 HG2 ARG A 44 17.403 -10.329 4.318 1.00 11.12 H new ATOM 0 HG3 ARG A 44 17.461 -10.244 6.067 1.00 11.12 H new ATOM 0 HD2 ARG A 44 15.541 -9.075 6.073 1.00 51.35 H new ATOM 0 HD3 ARG A 44 16.327 -7.782 5.189 1.00 51.35 H new ATOM 0 HE ARG A 44 14.528 -9.831 4.098 1.00 55.42 H new ATOM 0 HH11 ARG A 44 17.019 -7.425 3.416 1.00 64.23 H new ATOM 0 HH12 ARG A 44 16.537 -7.236 1.726 1.00 64.23 H new ATOM 0 HH21 ARG A 44 13.914 -9.583 1.927 1.00 11.32 H new ATOM 0 HH22 ARG A 44 14.787 -8.453 0.887 1.00 11.32 H new ATOM 400 N GLU A 45 20.955 -10.514 6.224 1.00 12.43 N ATOM 401 CA GLU A 45 21.479 -11.837 6.541 1.00 43.21 C ATOM 402 C GLU A 45 21.737 -11.976 8.038 1.00 2.15 C ATOM 403 O GLU A 45 21.640 -13.068 8.597 1.00 64.21 O ATOM 404 CB GLU A 45 22.771 -12.097 5.763 1.00 22.24 C ATOM 405 CG GLU A 45 23.962 -11.306 6.279 1.00 74.12 C ATOM 406 CD GLU A 45 23.811 -9.814 6.055 1.00 4.21 C ATOM 407 OE1 GLU A 45 24.331 -9.035 6.882 1.00 31.42 O ATOM 408 OE2 GLU A 45 23.175 -9.424 5.054 1.00 33.51 O ATOM 0 H GLU A 45 21.502 -9.997 5.536 1.00 12.43 H new ATOM 0 HA GLU A 45 20.732 -12.575 6.249 1.00 43.21 H new ATOM 0 HB2 GLU A 45 23.005 -13.161 5.808 1.00 22.24 H new ATOM 0 HB3 GLU A 45 22.609 -11.851 4.714 1.00 22.24 H new ATOM 0 HG2 GLU A 45 24.088 -11.499 7.344 1.00 74.12 H new ATOM 0 HG3 GLU A 45 24.868 -11.655 5.783 1.00 74.12 H new ATOM 415 N ALA A 46 22.067 -10.861 8.682 1.00 15.22 N ATOM 416 CA ALA A 46 22.337 -10.857 10.114 1.00 21.15 C ATOM 417 C ALA A 46 21.064 -11.109 10.914 1.00 15.34 C ATOM 418 O ALA A 46 21.117 -11.410 12.107 1.00 63.30 O ATOM 419 CB ALA A 46 22.971 -9.537 10.528 1.00 34.15 C ATOM 0 H ALA A 46 22.154 -9.949 8.234 1.00 15.22 H new ATOM 0 HA ALA A 46 23.035 -11.666 10.329 1.00 21.15 H new ATOM 0 HB1 ALA A 46 23.167 -9.548 11.600 1.00 34.15 H new ATOM 0 HB2 ALA A 46 23.908 -9.399 9.989 1.00 34.15 H new ATOM 0 HB3 ALA A 46 22.292 -8.717 10.292 1.00 34.15 H new ATOM 425 N TYR A 47 19.919 -10.982 10.251 1.00 25.24 N ATOM 426 CA TYR A 47 18.632 -11.193 10.902 1.00 53.10 C ATOM 427 C TYR A 47 18.513 -12.621 11.426 1.00 42.11 C ATOM 428 O TYR A 47 17.623 -12.933 12.218 1.00 53.42 O ATOM 429 CB TYR A 47 17.490 -10.899 9.927 1.00 21.13 C ATOM 430 CG TYR A 47 17.425 -9.453 9.489 1.00 63.52 C ATOM 431 CD1 TYR A 47 16.511 -9.039 8.528 1.00 13.02 C ATOM 432 CD2 TYR A 47 18.279 -8.502 10.034 1.00 32.50 C ATOM 433 CE1 TYR A 47 16.448 -7.719 8.124 1.00 62.41 C ATOM 434 CE2 TYR A 47 18.222 -7.181 9.637 1.00 43.41 C ATOM 435 CZ TYR A 47 17.306 -6.794 8.681 1.00 34.15 C ATOM 436 OH TYR A 47 17.247 -5.478 8.282 1.00 22.51 O ATOM 0 H TYR A 47 19.857 -10.734 9.264 1.00 25.24 H new ATOM 0 HA TYR A 47 18.565 -10.509 11.748 1.00 53.10 H new ATOM 0 HB2 TYR A 47 17.603 -11.532 9.047 1.00 21.13 H new ATOM 0 HB3 TYR A 47 16.544 -11.171 10.396 1.00 21.13 H new ATOM 0 HD1 TYR A 47 15.838 -9.761 8.089 1.00 13.02 H new ATOM 0 HD2 TYR A 47 19.000 -8.801 10.781 1.00 32.50 H new ATOM 0 HE1 TYR A 47 15.731 -7.413 7.376 1.00 62.41 H new ATOM 0 HE2 TYR A 47 18.891 -6.454 10.073 1.00 43.41 H new ATOM 0 HH TYR A 47 16.355 -5.119 8.470 1.00 22.51 H new ATOM 446 N LEU A 48 19.418 -13.485 10.979 1.00 52.12 N ATOM 447 CA LEU A 48 19.417 -14.881 11.402 1.00 41.00 C ATOM 448 C LEU A 48 20.177 -15.053 12.714 1.00 54.24 C ATOM 449 O LEU A 48 20.946 -14.180 13.116 1.00 61.33 O ATOM 450 CB LEU A 48 20.041 -15.763 10.319 1.00 52.00 C ATOM 451 CG LEU A 48 19.081 -16.692 9.575 1.00 51.24 C ATOM 452 CD1 LEU A 48 19.770 -17.320 8.373 1.00 10.12 C ATOM 453 CD2 LEU A 48 18.548 -17.768 10.509 1.00 22.22 C ATOM 0 H LEU A 48 20.162 -13.243 10.324 1.00 52.12 H new ATOM 0 HA LEU A 48 18.383 -15.186 11.560 1.00 41.00 H new ATOM 0 HB2 LEU A 48 20.529 -15.117 9.589 1.00 52.00 H new ATOM 0 HB3 LEU A 48 20.821 -16.371 10.778 1.00 52.00 H new ATOM 0 HG LEU A 48 18.238 -16.101 9.217 1.00 51.24 H new ATOM 0 HD11 LEU A 48 19.072 -17.978 7.856 1.00 10.12 H new ATOM 0 HD12 LEU A 48 20.101 -16.536 7.693 1.00 10.12 H new ATOM 0 HD13 LEU A 48 20.632 -17.897 8.708 1.00 10.12 H new ATOM 0 HD21 LEU A 48 17.867 -18.420 9.962 1.00 22.22 H new ATOM 0 HD22 LEU A 48 19.379 -18.356 10.898 1.00 22.22 H new ATOM 0 HD23 LEU A 48 18.016 -17.300 11.337 1.00 22.22 H new ATOM 465 N SER A 49 19.956 -16.184 13.375 1.00 23.41 N ATOM 466 CA SER A 49 20.619 -16.470 14.642 1.00 33.43 C ATOM 467 C SER A 49 22.100 -16.765 14.427 1.00 70.44 C ATOM 468 O SER A 49 22.502 -17.234 13.362 1.00 62.12 O ATOM 469 CB SER A 49 19.947 -17.656 15.337 1.00 32.31 C ATOM 470 OG SER A 49 18.911 -17.221 16.201 1.00 73.45 O ATOM 0 H SER A 49 19.323 -16.917 13.055 1.00 23.41 H new ATOM 0 HA SER A 49 20.531 -15.588 15.276 1.00 33.43 H new ATOM 0 HB2 SER A 49 19.539 -18.336 14.589 1.00 32.31 H new ATOM 0 HB3 SER A 49 20.689 -18.216 15.907 1.00 32.31 H new ATOM 0 HG SER A 49 18.496 -17.998 16.632 1.00 73.45 H new ATOM 476 N SER A 50 22.907 -16.487 15.446 1.00 72.15 N ATOM 477 CA SER A 50 24.344 -16.719 15.367 1.00 5.55 C ATOM 478 C SER A 50 24.641 -18.144 14.912 1.00 23.13 C ATOM 479 O SER A 50 25.668 -18.406 14.287 1.00 41.53 O ATOM 480 CB SER A 50 24.999 -16.458 16.726 1.00 52.04 C ATOM 481 OG SER A 50 24.556 -17.394 17.693 1.00 65.42 O ATOM 0 H SER A 50 22.590 -16.101 16.335 1.00 72.15 H new ATOM 0 HA SER A 50 24.759 -16.029 14.632 1.00 5.55 H new ATOM 0 HB2 SER A 50 26.083 -16.517 16.628 1.00 52.04 H new ATOM 0 HB3 SER A 50 24.763 -15.447 17.059 1.00 52.04 H new ATOM 0 HG SER A 50 24.990 -17.207 18.552 1.00 65.42 H new ATOM 487 N GLU A 51 23.734 -19.062 15.232 1.00 40.32 N ATOM 488 CA GLU A 51 23.899 -20.461 14.857 1.00 70.14 C ATOM 489 C GLU A 51 23.578 -20.670 13.380 1.00 53.15 C ATOM 490 O GLU A 51 24.419 -21.135 12.611 1.00 35.53 O ATOM 491 CB GLU A 51 23.000 -21.352 15.716 1.00 32.13 C ATOM 492 CG GLU A 51 23.126 -21.086 17.207 1.00 70.40 C ATOM 493 CD GLU A 51 23.288 -22.359 18.015 1.00 70.42 C ATOM 494 OE1 GLU A 51 22.641 -22.473 19.077 1.00 22.42 O ATOM 495 OE2 GLU A 51 24.061 -23.241 17.585 1.00 10.04 O ATOM 0 H GLU A 51 22.878 -18.862 15.750 1.00 40.32 H new ATOM 0 HA GLU A 51 24.940 -20.735 15.027 1.00 70.14 H new ATOM 0 HB2 GLU A 51 21.963 -21.205 15.415 1.00 32.13 H new ATOM 0 HB3 GLU A 51 23.243 -22.396 15.520 1.00 32.13 H new ATOM 0 HG2 GLU A 51 23.982 -20.436 17.385 1.00 70.40 H new ATOM 0 HG3 GLU A 51 22.242 -20.551 17.553 1.00 70.40 H new ATOM 502 N GLU A 52 22.355 -20.322 12.991 1.00 72.20 N ATOM 503 CA GLU A 52 21.922 -20.473 11.607 1.00 41.03 C ATOM 504 C GLU A 52 22.776 -19.620 10.674 1.00 45.44 C ATOM 505 O GLU A 52 23.328 -20.116 9.691 1.00 23.03 O ATOM 506 CB GLU A 52 20.449 -20.085 11.464 1.00 32.14 C ATOM 507 CG GLU A 52 19.491 -21.245 11.677 1.00 33.02 C ATOM 508 CD GLU A 52 19.534 -22.253 10.545 1.00 40.30 C ATOM 509 OE1 GLU A 52 20.079 -23.357 10.755 1.00 53.11 O ATOM 510 OE2 GLU A 52 19.024 -21.938 9.450 1.00 40.43 O ATOM 0 H GLU A 52 21.647 -19.934 13.615 1.00 72.20 H new ATOM 0 HA GLU A 52 22.043 -21.520 11.328 1.00 41.03 H new ATOM 0 HB2 GLU A 52 20.218 -19.298 12.181 1.00 32.14 H new ATOM 0 HB3 GLU A 52 20.287 -19.668 10.470 1.00 32.14 H new ATOM 0 HG2 GLU A 52 19.735 -21.746 12.614 1.00 33.02 H new ATOM 0 HG3 GLU A 52 18.476 -20.860 11.777 1.00 33.02 H new ATOM 517 N PHE A 53 22.880 -18.333 10.988 1.00 44.42 N ATOM 518 CA PHE A 53 23.666 -17.409 10.178 1.00 53.24 C ATOM 519 C PHE A 53 25.060 -17.969 9.911 1.00 75.45 C ATOM 520 O PHE A 53 25.477 -18.105 8.760 1.00 20.43 O ATOM 521 CB PHE A 53 23.775 -16.051 10.875 1.00 33.31 C ATOM 522 CG PHE A 53 24.880 -15.188 10.337 1.00 21.25 C ATOM 523 CD1 PHE A 53 26.172 -15.311 10.824 1.00 53.13 C ATOM 524 CD2 PHE A 53 24.627 -14.254 9.346 1.00 4.32 C ATOM 525 CE1 PHE A 53 27.191 -14.518 10.331 1.00 64.52 C ATOM 526 CE2 PHE A 53 25.643 -13.459 8.849 1.00 10.23 C ATOM 527 CZ PHE A 53 26.926 -13.590 9.343 1.00 62.50 C ATOM 0 H PHE A 53 22.430 -17.906 11.798 1.00 44.42 H new ATOM 0 HA PHE A 53 23.156 -17.280 9.223 1.00 53.24 H new ATOM 0 HB2 PHE A 53 22.828 -15.521 10.771 1.00 33.31 H new ATOM 0 HB3 PHE A 53 23.936 -16.211 11.941 1.00 33.31 H new ATOM 0 HD1 PHE A 53 26.385 -16.034 11.597 1.00 53.13 H new ATOM 0 HD2 PHE A 53 23.625 -14.146 8.957 1.00 4.32 H new ATOM 0 HE1 PHE A 53 28.194 -14.624 10.718 1.00 64.52 H new ATOM 0 HE2 PHE A 53 25.433 -12.736 8.075 1.00 10.23 H new ATOM 0 HZ PHE A 53 27.720 -12.968 8.958 1.00 62.50 H new ATOM 537 N LYS A 54 25.776 -18.293 10.982 1.00 52.01 N ATOM 538 CA LYS A 54 27.123 -18.840 10.866 1.00 55.40 C ATOM 539 C LYS A 54 27.095 -20.223 10.225 1.00 33.52 C ATOM 540 O LYS A 54 28.083 -20.666 9.640 1.00 54.43 O ATOM 541 CB LYS A 54 27.784 -18.917 12.244 1.00 60.02 C ATOM 542 CG LYS A 54 27.516 -20.221 12.974 1.00 25.55 C ATOM 543 CD LYS A 54 28.151 -20.228 14.355 1.00 1.41 C ATOM 544 CE LYS A 54 28.265 -21.639 14.910 1.00 33.20 C ATOM 545 NZ LYS A 54 27.862 -21.706 16.342 1.00 34.30 N ATOM 0 H LYS A 54 25.446 -18.186 11.941 1.00 52.01 H new ATOM 0 HA LYS A 54 27.705 -18.175 10.227 1.00 55.40 H new ATOM 0 HB2 LYS A 54 28.860 -18.789 12.129 1.00 60.02 H new ATOM 0 HB3 LYS A 54 27.428 -18.088 12.856 1.00 60.02 H new ATOM 0 HG2 LYS A 54 26.441 -20.373 13.066 1.00 25.55 H new ATOM 0 HG3 LYS A 54 27.906 -21.054 12.389 1.00 25.55 H new ATOM 0 HD2 LYS A 54 29.141 -19.775 14.303 1.00 1.41 H new ATOM 0 HD3 LYS A 54 27.556 -19.616 15.033 1.00 1.41 H new ATOM 0 HE2 LYS A 54 27.638 -22.311 14.324 1.00 33.20 H new ATOM 0 HE3 LYS A 54 29.292 -21.989 14.805 1.00 33.20 H new ATOM 0 HZ1 LYS A 54 27.954 -22.684 16.683 1.00 34.30 H new ATOM 0 HZ2 LYS A 54 28.477 -21.084 16.905 1.00 34.30 H new ATOM 0 HZ3 LYS A 54 26.874 -21.397 16.439 1.00 34.30 H new ATOM 559 N GLU A 55 25.957 -20.901 10.339 1.00 14.14 N ATOM 560 CA GLU A 55 25.802 -22.234 9.770 1.00 73.40 C ATOM 561 C GLU A 55 25.629 -22.162 8.256 1.00 73.55 C ATOM 562 O GLU A 55 25.955 -23.107 7.536 1.00 1.20 O ATOM 563 CB GLU A 55 24.601 -22.945 10.398 1.00 21.13 C ATOM 564 CG GLU A 55 24.957 -23.779 11.618 1.00 41.42 C ATOM 565 CD GLU A 55 25.508 -25.143 11.251 1.00 2.13 C ATOM 566 OE1 GLU A 55 24.846 -25.859 10.471 1.00 24.42 O ATOM 567 OE2 GLU A 55 26.600 -25.494 11.744 1.00 23.23 O ATOM 0 H GLU A 55 25.129 -20.549 10.820 1.00 14.14 H new ATOM 0 HA GLU A 55 26.706 -22.802 9.989 1.00 73.40 H new ATOM 0 HB2 GLU A 55 23.857 -22.201 10.682 1.00 21.13 H new ATOM 0 HB3 GLU A 55 24.139 -23.589 9.650 1.00 21.13 H new ATOM 0 HG2 GLU A 55 25.693 -23.243 12.218 1.00 41.42 H new ATOM 0 HG3 GLU A 55 24.070 -23.905 12.239 1.00 41.42 H new ATOM 574 N LYS A 56 25.112 -21.035 7.778 1.00 61.31 N ATOM 575 CA LYS A 56 24.895 -20.837 6.350 1.00 63.44 C ATOM 576 C LYS A 56 26.107 -20.175 5.702 1.00 10.21 C ATOM 577 O LYS A 56 26.411 -20.420 4.535 1.00 64.53 O ATOM 578 CB LYS A 56 23.648 -19.983 6.116 1.00 54.31 C ATOM 579 CG LYS A 56 22.412 -20.793 5.764 1.00 22.31 C ATOM 580 CD LYS A 56 22.073 -21.795 6.855 1.00 22.12 C ATOM 581 CE LYS A 56 22.497 -23.204 6.470 1.00 45.14 C ATOM 582 NZ LYS A 56 21.328 -24.111 6.310 1.00 74.33 N ATOM 0 H LYS A 56 24.835 -20.244 8.360 1.00 61.31 H new ATOM 0 HA LYS A 56 24.749 -21.815 5.891 1.00 63.44 H new ATOM 0 HB2 LYS A 56 23.445 -19.398 7.013 1.00 54.31 H new ATOM 0 HB3 LYS A 56 23.849 -19.275 5.312 1.00 54.31 H new ATOM 0 HG2 LYS A 56 21.567 -20.121 5.610 1.00 22.31 H new ATOM 0 HG3 LYS A 56 22.576 -21.319 4.824 1.00 22.31 H new ATOM 0 HD2 LYS A 56 22.568 -21.506 7.782 1.00 22.12 H new ATOM 0 HD3 LYS A 56 21.000 -21.776 7.047 1.00 22.12 H new ATOM 0 HE2 LYS A 56 23.061 -23.171 5.538 1.00 45.14 H new ATOM 0 HE3 LYS A 56 23.165 -23.604 7.233 1.00 45.14 H new ATOM 0 HZ1 LYS A 56 21.659 -25.061 6.048 1.00 74.33 H new ATOM 0 HZ2 LYS A 56 20.803 -24.163 7.206 1.00 74.33 H new ATOM 0 HZ3 LYS A 56 20.703 -23.744 5.564 1.00 74.33 H new ATOM 596 N PHE A 57 26.796 -19.335 6.467 1.00 12.25 N ATOM 597 CA PHE A 57 27.975 -18.637 5.968 1.00 30.20 C ATOM 598 C PHE A 57 29.254 -19.318 6.447 1.00 34.50 C ATOM 599 O PHE A 57 30.348 -19.011 5.976 1.00 73.42 O ATOM 600 CB PHE A 57 27.961 -17.176 6.423 1.00 34.55 C ATOM 601 CG PHE A 57 26.799 -16.392 5.884 1.00 44.45 C ATOM 602 CD1 PHE A 57 26.700 -16.120 4.529 1.00 41.44 C ATOM 603 CD2 PHE A 57 25.807 -15.925 6.731 1.00 24.31 C ATOM 604 CE1 PHE A 57 25.633 -15.398 4.028 1.00 14.14 C ATOM 605 CE2 PHE A 57 24.738 -15.204 6.237 1.00 55.44 C ATOM 606 CZ PHE A 57 24.651 -14.938 4.884 1.00 74.51 C ATOM 0 H PHE A 57 26.558 -19.121 7.435 1.00 12.25 H new ATOM 0 HA PHE A 57 27.952 -18.671 4.879 1.00 30.20 H new ATOM 0 HB2 PHE A 57 27.937 -17.143 7.512 1.00 34.55 H new ATOM 0 HB3 PHE A 57 28.889 -16.697 6.110 1.00 34.55 H new ATOM 0 HD1 PHE A 57 27.466 -16.476 3.856 1.00 41.44 H new ATOM 0 HD2 PHE A 57 25.871 -16.127 7.790 1.00 24.31 H new ATOM 0 HE1 PHE A 57 25.567 -15.194 2.970 1.00 14.14 H new ATOM 0 HE2 PHE A 57 23.970 -14.848 6.908 1.00 55.44 H new ATOM 0 HZ PHE A 57 23.817 -14.372 4.496 1.00 74.51 H new ATOM 616 N GLY A 58 29.106 -20.246 7.388 1.00 1.25 N ATOM 617 CA GLY A 58 30.256 -20.956 7.917 1.00 41.11 C ATOM 618 C GLY A 58 31.150 -20.067 8.758 1.00 1.14 C ATOM 619 O GLY A 58 32.240 -20.473 9.159 1.00 23.21 O ATOM 0 H GLY A 58 28.210 -20.519 7.793 1.00 1.25 H new ATOM 0 HA2 GLY A 58 29.914 -21.797 8.520 1.00 41.11 H new ATOM 0 HA3 GLY A 58 30.834 -21.371 7.091 1.00 41.11 H new ATOM 623 N MET A 59 30.689 -18.850 9.025 1.00 13.54 N ATOM 624 CA MET A 59 31.455 -17.900 9.825 1.00 62.55 C ATOM 625 C MET A 59 30.563 -17.209 10.851 1.00 25.21 C ATOM 626 O MET A 59 29.424 -16.847 10.556 1.00 40.01 O ATOM 627 CB MET A 59 32.116 -16.858 8.921 1.00 2.53 C ATOM 628 CG MET A 59 32.568 -17.414 7.581 1.00 42.53 C ATOM 629 SD MET A 59 34.015 -16.559 6.926 1.00 14.33 S ATOM 630 CE MET A 59 35.334 -17.593 7.557 1.00 74.40 C ATOM 0 H MET A 59 29.789 -18.498 8.699 1.00 13.54 H new ATOM 0 HA MET A 59 32.229 -18.452 10.358 1.00 62.55 H new ATOM 0 HB2 MET A 59 31.415 -16.042 8.748 1.00 2.53 H new ATOM 0 HB3 MET A 59 32.977 -16.434 9.438 1.00 2.53 H new ATOM 0 HG2 MET A 59 32.796 -18.474 7.690 1.00 42.53 H new ATOM 0 HG3 MET A 59 31.750 -17.336 6.865 1.00 42.53 H new ATOM 0 HE1 MET A 59 36.296 -17.193 7.235 1.00 74.40 H new ATOM 0 HE2 MET A 59 35.294 -17.610 8.646 1.00 74.40 H new ATOM 0 HE3 MET A 59 35.217 -18.607 7.174 1.00 74.40 H new ATOM 640 N THR A 60 31.089 -17.029 12.059 1.00 33.11 N ATOM 641 CA THR A 60 30.340 -16.383 13.129 1.00 11.14 C ATOM 642 C THR A 60 30.113 -14.906 12.828 1.00 71.04 C ATOM 643 O THR A 60 30.408 -14.433 11.730 1.00 63.22 O ATOM 644 CB THR A 60 31.067 -16.513 14.481 1.00 33.13 C ATOM 645 OG1 THR A 60 32.153 -17.439 14.366 1.00 3.43 O ATOM 646 CG2 THR A 60 30.109 -16.980 15.568 1.00 44.44 C ATOM 0 H THR A 60 32.031 -17.322 12.320 1.00 33.11 H new ATOM 0 HA THR A 60 29.377 -16.890 13.191 1.00 11.14 H new ATOM 0 HB THR A 60 31.454 -15.532 14.756 1.00 33.13 H new ATOM 0 HG1 THR A 60 32.940 -16.977 14.009 1.00 3.43 H new ATOM 0 HG21 THR A 60 30.645 -17.064 16.513 1.00 44.44 H new ATOM 0 HG22 THR A 60 29.299 -16.259 15.673 1.00 44.44 H new ATOM 0 HG23 THR A 60 29.697 -17.952 15.297 1.00 44.44 H new ATOM 654 N LYS A 61 29.587 -14.181 13.809 1.00 51.54 N ATOM 655 CA LYS A 61 29.322 -12.756 13.650 1.00 53.44 C ATOM 656 C LYS A 61 30.622 -11.975 13.484 1.00 32.24 C ATOM 657 O LYS A 61 30.795 -11.240 12.513 1.00 22.00 O ATOM 658 CB LYS A 61 28.544 -12.223 14.855 1.00 4.14 C ATOM 659 CG LYS A 61 27.088 -11.915 14.553 1.00 61.33 C ATOM 660 CD LYS A 61 26.506 -10.932 15.555 1.00 71.25 C ATOM 661 CE LYS A 61 25.527 -11.613 16.499 1.00 52.22 C ATOM 662 NZ LYS A 61 24.114 -11.280 16.167 1.00 12.11 N ATOM 0 H LYS A 61 29.336 -14.557 14.723 1.00 51.54 H new ATOM 0 HA LYS A 61 28.722 -12.622 12.750 1.00 53.44 H new ATOM 0 HB2 LYS A 61 28.592 -12.956 15.660 1.00 4.14 H new ATOM 0 HB3 LYS A 61 29.030 -11.318 15.219 1.00 4.14 H new ATOM 0 HG2 LYS A 61 27.003 -11.504 13.547 1.00 61.33 H new ATOM 0 HG3 LYS A 61 26.509 -12.838 14.569 1.00 61.33 H new ATOM 0 HD2 LYS A 61 27.312 -10.478 16.131 1.00 71.25 H new ATOM 0 HD3 LYS A 61 26.000 -10.126 15.024 1.00 71.25 H new ATOM 0 HE2 LYS A 61 25.667 -12.693 16.450 1.00 52.22 H new ATOM 0 HE3 LYS A 61 25.740 -11.310 17.524 1.00 52.22 H new ATOM 0 HZ1 LYS A 61 23.478 -11.763 16.833 1.00 12.11 H new ATOM 0 HZ2 LYS A 61 23.974 -10.252 16.238 1.00 12.11 H new ATOM 0 HZ3 LYS A 61 23.902 -11.592 15.198 1.00 12.11 H new ATOM 676 N GLU A 62 31.532 -12.142 14.439 1.00 43.04 N ATOM 677 CA GLU A 62 32.817 -11.453 14.397 1.00 53.12 C ATOM 678 C GLU A 62 33.687 -11.993 13.266 1.00 43.12 C ATOM 679 O GLU A 62 34.510 -11.271 12.703 1.00 22.41 O ATOM 680 CB GLU A 62 33.546 -11.605 15.733 1.00 12.34 C ATOM 681 CG GLU A 62 33.953 -10.281 16.358 1.00 4.02 C ATOM 682 CD GLU A 62 34.647 -10.456 17.695 1.00 15.05 C ATOM 683 OE1 GLU A 62 35.753 -11.035 17.718 1.00 1.31 O ATOM 684 OE2 GLU A 62 34.083 -10.015 18.719 1.00 40.13 O ATOM 0 H GLU A 62 31.404 -12.747 15.250 1.00 43.04 H new ATOM 0 HA GLU A 62 32.627 -10.395 14.213 1.00 53.12 H new ATOM 0 HB2 GLU A 62 32.903 -12.143 16.429 1.00 12.34 H new ATOM 0 HB3 GLU A 62 34.436 -12.216 15.584 1.00 12.34 H new ATOM 0 HG2 GLU A 62 34.616 -9.750 15.675 1.00 4.02 H new ATOM 0 HG3 GLU A 62 33.068 -9.659 16.491 1.00 4.02 H new ATOM 691 N ALA A 63 33.499 -13.267 12.939 1.00 23.42 N ATOM 692 CA ALA A 63 34.265 -13.904 11.875 1.00 24.33 C ATOM 693 C ALA A 63 33.800 -13.429 10.503 1.00 1.32 C ATOM 694 O ALA A 63 34.613 -13.066 9.652 1.00 14.44 O ATOM 695 CB ALA A 63 34.153 -15.418 11.977 1.00 33.24 C ATOM 0 H ALA A 63 32.823 -13.879 13.396 1.00 23.42 H new ATOM 0 HA ALA A 63 35.310 -13.619 11.994 1.00 24.33 H new ATOM 0 HB1 ALA A 63 34.730 -15.880 11.176 1.00 33.24 H new ATOM 0 HB2 ALA A 63 34.541 -15.747 12.941 1.00 33.24 H new ATOM 0 HB3 ALA A 63 33.107 -15.712 11.887 1.00 33.24 H new ATOM 701 N PHE A 64 32.488 -13.434 10.294 1.00 12.31 N ATOM 702 CA PHE A 64 31.914 -13.004 9.024 1.00 64.20 C ATOM 703 C PHE A 64 32.062 -11.496 8.843 1.00 63.33 C ATOM 704 O PHE A 64 32.615 -11.031 7.846 1.00 65.21 O ATOM 705 CB PHE A 64 30.437 -13.396 8.949 1.00 42.24 C ATOM 706 CG PHE A 64 29.842 -13.231 7.579 1.00 4.23 C ATOM 707 CD1 PHE A 64 29.372 -11.998 7.158 1.00 41.42 C ATOM 708 CD2 PHE A 64 29.753 -14.309 6.714 1.00 61.21 C ATOM 709 CE1 PHE A 64 28.824 -11.842 5.898 1.00 25.32 C ATOM 710 CE2 PHE A 64 29.207 -14.160 5.453 1.00 11.21 C ATOM 711 CZ PHE A 64 28.741 -12.925 5.045 1.00 31.22 C ATOM 0 H PHE A 64 31.802 -13.731 10.988 1.00 12.31 H new ATOM 0 HA PHE A 64 32.456 -13.503 8.221 1.00 64.20 H new ATOM 0 HB2 PHE A 64 30.329 -14.435 9.261 1.00 42.24 H new ATOM 0 HB3 PHE A 64 29.872 -12.790 9.657 1.00 42.24 H new ATOM 0 HD1 PHE A 64 29.434 -11.148 7.822 1.00 41.42 H new ATOM 0 HD2 PHE A 64 30.114 -15.277 7.028 1.00 61.21 H new ATOM 0 HE1 PHE A 64 28.462 -10.875 5.582 1.00 25.32 H new ATOM 0 HE2 PHE A 64 29.145 -15.008 4.787 1.00 11.21 H new ATOM 0 HZ PHE A 64 28.313 -12.807 4.061 1.00 31.22 H new ATOM 721 N TYR A 65 31.564 -10.738 9.813 1.00 75.42 N ATOM 722 CA TYR A 65 31.637 -9.283 9.760 1.00 72.11 C ATOM 723 C TYR A 65 33.063 -8.819 9.479 1.00 31.33 C ATOM 724 O TYR A 65 33.280 -7.765 8.881 1.00 32.13 O ATOM 725 CB TYR A 65 31.141 -8.678 11.075 1.00 64.53 C ATOM 726 CG TYR A 65 29.639 -8.734 11.239 1.00 64.51 C ATOM 727 CD1 TYR A 65 28.793 -8.399 10.189 1.00 3.10 C ATOM 728 CD2 TYR A 65 29.066 -9.122 12.444 1.00 43.22 C ATOM 729 CE1 TYR A 65 27.420 -8.448 10.334 1.00 3.25 C ATOM 730 CE2 TYR A 65 27.695 -9.175 12.598 1.00 75.12 C ATOM 731 CZ TYR A 65 26.876 -8.837 11.541 1.00 52.05 C ATOM 732 OH TYR A 65 25.509 -8.887 11.690 1.00 31.44 O ATOM 0 H TYR A 65 31.105 -11.107 10.646 1.00 75.42 H new ATOM 0 HA TYR A 65 30.996 -8.942 8.947 1.00 72.11 H new ATOM 0 HB2 TYR A 65 31.609 -9.205 11.907 1.00 64.53 H new ATOM 0 HB3 TYR A 65 31.466 -7.639 11.133 1.00 64.53 H new ATOM 0 HD1 TYR A 65 29.216 -8.095 9.243 1.00 3.10 H new ATOM 0 HD2 TYR A 65 29.704 -9.387 13.274 1.00 43.22 H new ATOM 0 HE1 TYR A 65 26.777 -8.184 9.508 1.00 3.25 H new ATOM 0 HE2 TYR A 65 27.266 -9.480 13.541 1.00 75.12 H new ATOM 0 HH TYR A 65 25.290 -9.181 12.599 1.00 31.44 H new ATOM 742 N LYS A 66 34.033 -9.615 9.915 1.00 24.33 N ATOM 743 CA LYS A 66 35.440 -9.290 9.711 1.00 60.21 C ATOM 744 C LYS A 66 35.751 -9.128 8.226 1.00 31.34 C ATOM 745 O LYS A 66 36.469 -8.210 7.829 1.00 40.05 O ATOM 746 CB LYS A 66 36.329 -10.380 10.313 1.00 23.41 C ATOM 747 CG LYS A 66 37.204 -9.890 11.454 1.00 31.41 C ATOM 748 CD LYS A 66 38.417 -9.133 10.941 1.00 10.42 C ATOM 749 CE LYS A 66 38.626 -7.834 11.704 1.00 3.43 C ATOM 750 NZ LYS A 66 39.412 -8.044 12.952 1.00 45.55 N ATOM 0 H LYS A 66 33.871 -10.491 10.412 1.00 24.33 H new ATOM 0 HA LYS A 66 35.645 -8.344 10.213 1.00 60.21 H new ATOM 0 HB2 LYS A 66 35.699 -11.193 10.673 1.00 23.41 H new ATOM 0 HB3 LYS A 66 36.965 -10.792 9.530 1.00 23.41 H new ATOM 0 HG2 LYS A 66 36.621 -9.243 12.109 1.00 31.41 H new ATOM 0 HG3 LYS A 66 37.531 -10.739 12.054 1.00 31.41 H new ATOM 0 HD2 LYS A 66 39.305 -9.759 11.035 1.00 10.42 H new ATOM 0 HD3 LYS A 66 38.291 -8.917 9.880 1.00 10.42 H new ATOM 0 HE2 LYS A 66 39.142 -7.117 11.066 1.00 3.43 H new ATOM 0 HE3 LYS A 66 37.658 -7.399 11.953 1.00 3.43 H new ATOM 0 HZ1 LYS A 66 39.533 -7.135 13.443 1.00 45.55 H new ATOM 0 HZ2 LYS A 66 38.907 -8.709 13.573 1.00 45.55 H new ATOM 0 HZ3 LYS A 66 40.346 -8.435 12.713 1.00 45.55 H new ATOM 764 N LEU A 67 35.205 -10.024 7.411 1.00 23.23 N ATOM 765 CA LEU A 67 35.423 -9.980 5.969 1.00 1.45 C ATOM 766 C LEU A 67 35.105 -8.595 5.413 1.00 23.33 C ATOM 767 O LEU A 67 34.407 -7.795 6.036 1.00 43.54 O ATOM 768 CB LEU A 67 34.561 -11.033 5.271 1.00 43.32 C ATOM 769 CG LEU A 67 35.135 -12.450 5.229 1.00 12.54 C ATOM 770 CD1 LEU A 67 34.111 -13.424 4.669 1.00 55.22 C ATOM 771 CD2 LEU A 67 36.413 -12.483 4.404 1.00 21.54 C ATOM 0 H LEU A 67 34.608 -10.790 7.724 1.00 23.23 H new ATOM 0 HA LEU A 67 36.474 -10.196 5.778 1.00 1.45 H new ATOM 0 HB2 LEU A 67 33.592 -11.069 5.770 1.00 43.32 H new ATOM 0 HB3 LEU A 67 34.380 -10.705 4.247 1.00 43.32 H new ATOM 0 HG LEU A 67 35.376 -12.755 6.247 1.00 12.54 H new ATOM 0 HD11 LEU A 67 34.537 -14.427 4.647 1.00 55.22 H new ATOM 0 HD12 LEU A 67 33.223 -13.421 5.301 1.00 55.22 H new ATOM 0 HD13 LEU A 67 33.838 -13.123 3.658 1.00 55.22 H new ATOM 0 HD21 LEU A 67 36.808 -13.499 4.385 1.00 21.54 H new ATOM 0 HD22 LEU A 67 36.197 -12.158 3.386 1.00 21.54 H new ATOM 0 HD23 LEU A 67 37.151 -11.815 4.849 1.00 21.54 H new ATOM 783 N PRO A 68 35.627 -8.306 4.212 1.00 1.10 N ATOM 784 CA PRO A 68 35.410 -7.019 3.544 1.00 62.21 C ATOM 785 C PRO A 68 33.971 -6.848 3.069 1.00 3.22 C ATOM 786 O PRO A 68 33.177 -7.787 3.110 1.00 33.44 O ATOM 787 CB PRO A 68 36.365 -7.075 2.349 1.00 54.15 C ATOM 788 CG PRO A 68 36.547 -8.528 2.077 1.00 73.35 C ATOM 789 CD PRO A 68 36.469 -9.213 3.413 1.00 15.42 C ATOM 0 HA PRO A 68 35.590 -6.177 4.212 1.00 62.21 H new ATOM 0 HB2 PRO A 68 35.947 -6.560 1.484 1.00 54.15 H new ATOM 0 HB3 PRO A 68 37.315 -6.593 2.579 1.00 54.15 H new ATOM 0 HG2 PRO A 68 35.775 -8.898 1.403 1.00 73.35 H new ATOM 0 HG3 PRO A 68 37.507 -8.718 1.597 1.00 73.35 H new ATOM 0 HD2 PRO A 68 36.025 -10.205 3.331 1.00 15.42 H new ATOM 0 HD3 PRO A 68 37.456 -9.341 3.857 1.00 15.42 H new ATOM 797 N LYS A 69 33.642 -5.642 2.618 1.00 73.41 N ATOM 798 CA LYS A 69 32.299 -5.347 2.133 1.00 34.31 C ATOM 799 C LYS A 69 31.995 -6.131 0.860 1.00 20.33 C ATOM 800 O LYS A 69 30.936 -6.746 0.737 1.00 54.11 O ATOM 801 CB LYS A 69 32.148 -3.847 1.869 1.00 35.40 C ATOM 802 CG LYS A 69 31.677 -3.061 3.080 1.00 32.02 C ATOM 803 CD LYS A 69 32.847 -2.560 3.909 1.00 5.12 C ATOM 804 CE LYS A 69 32.434 -2.282 5.346 1.00 2.33 C ATOM 805 NZ LYS A 69 33.415 -1.407 6.046 1.00 3.11 N ATOM 0 H LYS A 69 34.287 -4.853 2.578 1.00 73.41 H new ATOM 0 HA LYS A 69 31.588 -5.648 2.902 1.00 34.31 H new ATOM 0 HB2 LYS A 69 33.106 -3.447 1.537 1.00 35.40 H new ATOM 0 HB3 LYS A 69 31.441 -3.700 1.053 1.00 35.40 H new ATOM 0 HG2 LYS A 69 31.073 -2.215 2.753 1.00 32.02 H new ATOM 0 HG3 LYS A 69 31.036 -3.691 3.697 1.00 32.02 H new ATOM 0 HD2 LYS A 69 33.647 -3.300 3.896 1.00 5.12 H new ATOM 0 HD3 LYS A 69 33.248 -1.650 3.462 1.00 5.12 H new ATOM 0 HE2 LYS A 69 31.453 -1.808 5.356 1.00 2.33 H new ATOM 0 HE3 LYS A 69 32.339 -3.224 5.885 1.00 2.33 H new ATOM 0 HZ1 LYS A 69 33.097 -1.241 7.022 1.00 3.11 H new ATOM 0 HZ2 LYS A 69 34.346 -1.870 6.059 1.00 3.11 H new ATOM 0 HZ3 LYS A 69 33.487 -0.498 5.546 1.00 3.11 H new ATOM 819 N TRP A 70 32.931 -6.106 -0.081 1.00 70.45 N ATOM 820 CA TRP A 70 32.763 -6.817 -1.344 1.00 42.33 C ATOM 821 C TRP A 70 32.510 -8.301 -1.105 1.00 1.04 C ATOM 822 O TRP A 70 31.661 -8.909 -1.756 1.00 35.43 O ATOM 823 CB TRP A 70 34.001 -6.633 -2.224 1.00 73.35 C ATOM 824 CG TRP A 70 35.153 -7.502 -1.818 1.00 54.12 C ATOM 825 CD1 TRP A 70 36.142 -7.189 -0.930 1.00 35.11 C ATOM 826 CD2 TRP A 70 35.435 -8.825 -2.287 1.00 2.11 C ATOM 827 NE1 TRP A 70 37.022 -8.238 -0.818 1.00 41.01 N ATOM 828 CE2 TRP A 70 36.611 -9.254 -1.640 1.00 15.14 C ATOM 829 CE3 TRP A 70 34.809 -9.690 -3.188 1.00 50.34 C ATOM 830 CZ2 TRP A 70 37.170 -10.508 -1.868 1.00 22.22 C ATOM 831 CZ3 TRP A 70 35.366 -10.934 -3.414 1.00 71.10 C ATOM 832 CH2 TRP A 70 36.536 -11.334 -2.756 1.00 22.34 C ATOM 0 H TRP A 70 33.813 -5.602 0.006 1.00 70.45 H new ATOM 0 HA TRP A 70 31.896 -6.399 -1.855 1.00 42.33 H new ATOM 0 HB2 TRP A 70 33.738 -6.851 -3.259 1.00 73.35 H new ATOM 0 HB3 TRP A 70 34.312 -5.589 -2.187 1.00 73.35 H new ATOM 0 HD1 TRP A 70 36.221 -6.254 -0.395 1.00 35.11 H new ATOM 0 HE1 TRP A 70 37.848 -8.257 -0.220 1.00 41.01 H new ATOM 0 HE3 TRP A 70 33.906 -9.391 -3.699 1.00 50.34 H new ATOM 0 HZ2 TRP A 70 38.072 -10.818 -1.362 1.00 22.22 H new ATOM 0 HZ3 TRP A 70 34.891 -11.610 -4.110 1.00 71.10 H new ATOM 0 HH2 TRP A 70 36.946 -12.314 -2.953 1.00 22.34 H new ATOM 843 N LYS A 71 33.252 -8.879 -0.166 1.00 61.44 N ATOM 844 CA LYS A 71 33.107 -10.293 0.161 1.00 43.20 C ATOM 845 C LYS A 71 31.860 -10.530 1.007 1.00 65.51 C ATOM 846 O LYS A 71 31.198 -11.559 0.876 1.00 62.32 O ATOM 847 CB LYS A 71 34.346 -10.794 0.907 1.00 31.10 C ATOM 848 CG LYS A 71 34.365 -12.299 1.112 1.00 13.02 C ATOM 849 CD LYS A 71 35.584 -12.935 0.465 1.00 12.23 C ATOM 850 CE LYS A 71 35.918 -14.275 1.103 1.00 51.24 C ATOM 851 NZ LYS A 71 36.139 -15.335 0.081 1.00 62.22 N ATOM 0 H LYS A 71 33.960 -8.390 0.382 1.00 61.44 H new ATOM 0 HA LYS A 71 33.003 -10.848 -0.771 1.00 43.20 H new ATOM 0 HB2 LYS A 71 35.237 -10.500 0.353 1.00 31.10 H new ATOM 0 HB3 LYS A 71 34.398 -10.303 1.879 1.00 31.10 H new ATOM 0 HG2 LYS A 71 34.361 -12.522 2.179 1.00 13.02 H new ATOM 0 HG3 LYS A 71 33.459 -12.736 0.691 1.00 13.02 H new ATOM 0 HD2 LYS A 71 35.401 -13.074 -0.601 1.00 12.23 H new ATOM 0 HD3 LYS A 71 36.438 -12.264 0.557 1.00 12.23 H new ATOM 0 HE2 LYS A 71 36.812 -14.172 1.718 1.00 51.24 H new ATOM 0 HE3 LYS A 71 35.107 -14.574 1.767 1.00 51.24 H new ATOM 0 HZ1 LYS A 71 36.364 -16.233 0.555 1.00 62.22 H new ATOM 0 HZ2 LYS A 71 35.278 -15.452 -0.490 1.00 62.22 H new ATOM 0 HZ3 LYS A 71 36.930 -15.062 -0.537 1.00 62.22 H new ATOM 865 N GLN A 72 31.547 -9.572 1.873 1.00 73.04 N ATOM 866 CA GLN A 72 30.379 -9.678 2.739 1.00 74.22 C ATOM 867 C GLN A 72 29.094 -9.726 1.917 1.00 24.34 C ATOM 868 O GLN A 72 28.164 -10.462 2.245 1.00 41.51 O ATOM 869 CB GLN A 72 30.331 -8.500 3.713 1.00 50.21 C ATOM 870 CG GLN A 72 30.892 -8.824 5.088 1.00 33.31 C ATOM 871 CD GLN A 72 30.132 -8.136 6.205 1.00 5.03 C ATOM 872 OE1 GLN A 72 29.141 -8.661 6.712 1.00 14.45 O ATOM 873 NE2 GLN A 72 30.595 -6.954 6.595 1.00 24.14 N ATOM 0 H GLN A 72 32.086 -8.714 1.994 1.00 73.04 H new ATOM 0 HA GLN A 72 30.462 -10.606 3.306 1.00 74.22 H new ATOM 0 HB2 GLN A 72 30.890 -7.666 3.289 1.00 50.21 H new ATOM 0 HB3 GLN A 72 29.298 -8.170 3.820 1.00 50.21 H new ATOM 0 HG2 GLN A 72 30.862 -9.902 5.244 1.00 33.31 H new ATOM 0 HG3 GLN A 72 31.939 -8.525 5.129 1.00 33.31 H new ATOM 0 HE21 GLN A 72 31.420 -6.556 6.146 1.00 24.14 H new ATOM 0 HE22 GLN A 72 30.125 -6.444 7.343 1.00 24.14 H new ATOM 882 N ASN A 73 29.051 -8.937 0.849 1.00 64.22 N ATOM 883 CA ASN A 73 27.880 -8.889 -0.019 1.00 65.34 C ATOM 884 C ASN A 73 27.810 -10.129 -0.906 1.00 50.44 C ATOM 885 O ASN A 73 26.729 -10.549 -1.320 1.00 23.41 O ATOM 886 CB ASN A 73 27.914 -7.629 -0.886 1.00 73.13 C ATOM 887 CG ASN A 73 26.901 -6.593 -0.439 1.00 10.31 C ATOM 888 OD1 ASN A 73 26.560 -6.511 0.741 1.00 34.11 O ATOM 889 ND2 ASN A 73 26.415 -5.795 -1.383 1.00 1.34 N ATOM 0 H ASN A 73 29.813 -8.322 0.564 1.00 64.22 H new ATOM 0 HA ASN A 73 26.991 -8.864 0.611 1.00 65.34 H new ATOM 0 HB2 ASN A 73 28.913 -7.195 -0.852 1.00 73.13 H new ATOM 0 HB3 ASN A 73 27.719 -7.900 -1.924 1.00 73.13 H new ATOM 0 HD21 ASN A 73 25.730 -5.078 -1.142 1.00 1.34 H new ATOM 0 HD22 ASN A 73 26.726 -5.899 -2.349 1.00 1.34 H new ATOM 896 N LYS A 74 28.970 -10.710 -1.195 1.00 15.40 N ATOM 897 CA LYS A 74 29.041 -11.902 -2.031 1.00 43.01 C ATOM 898 C LYS A 74 28.515 -13.123 -1.284 1.00 30.13 C ATOM 899 O LYS A 74 27.634 -13.831 -1.773 1.00 0.42 O ATOM 900 CB LYS A 74 30.483 -12.148 -2.481 1.00 61.40 C ATOM 901 CG LYS A 74 30.991 -11.126 -3.482 1.00 41.53 C ATOM 902 CD LYS A 74 30.675 -11.538 -4.910 1.00 62.31 C ATOM 903 CE LYS A 74 31.605 -10.861 -5.905 1.00 1.41 C ATOM 904 NZ LYS A 74 32.554 -11.827 -6.524 1.00 40.22 N ATOM 0 H LYS A 74 29.874 -10.374 -0.862 1.00 15.40 H new ATOM 0 HA LYS A 74 28.415 -11.738 -2.908 1.00 43.01 H new ATOM 0 HB2 LYS A 74 31.134 -12.142 -1.606 1.00 61.40 H new ATOM 0 HB3 LYS A 74 30.552 -13.142 -2.923 1.00 61.40 H new ATOM 0 HG2 LYS A 74 30.539 -10.156 -3.274 1.00 41.53 H new ATOM 0 HG3 LYS A 74 32.068 -11.007 -3.367 1.00 41.53 H new ATOM 0 HD2 LYS A 74 30.764 -12.620 -5.006 1.00 62.31 H new ATOM 0 HD3 LYS A 74 29.642 -11.281 -5.144 1.00 62.31 H new ATOM 0 HE2 LYS A 74 31.014 -10.381 -6.686 1.00 1.41 H new ATOM 0 HE3 LYS A 74 32.166 -10.074 -5.401 1.00 1.41 H new ATOM 0 HZ1 LYS A 74 33.170 -11.326 -7.196 1.00 40.22 H new ATOM 0 HZ2 LYS A 74 33.135 -12.266 -5.782 1.00 40.22 H new ATOM 0 HZ3 LYS A 74 32.020 -12.564 -7.027 1.00 40.22 H new ATOM 918 N PHE A 75 29.059 -13.364 -0.096 1.00 3.04 N ATOM 919 CA PHE A 75 28.644 -14.500 0.720 1.00 50.55 C ATOM 920 C PHE A 75 27.162 -14.405 1.069 1.00 12.34 C ATOM 921 O PHE A 75 26.444 -15.405 1.060 1.00 62.10 O ATOM 922 CB PHE A 75 29.479 -14.568 2.000 1.00 15.52 C ATOM 923 CG PHE A 75 30.279 -15.832 2.128 1.00 41.04 C ATOM 924 CD1 PHE A 75 29.702 -17.063 1.860 1.00 41.11 C ATOM 925 CD2 PHE A 75 31.609 -15.790 2.516 1.00 54.44 C ATOM 926 CE1 PHE A 75 30.436 -18.228 1.976 1.00 61.42 C ATOM 927 CE2 PHE A 75 32.348 -16.952 2.633 1.00 54.42 C ATOM 928 CZ PHE A 75 31.760 -18.173 2.364 1.00 43.42 C ATOM 0 H PHE A 75 29.789 -12.788 0.324 1.00 3.04 H new ATOM 0 HA PHE A 75 28.805 -15.410 0.142 1.00 50.55 H new ATOM 0 HB2 PHE A 75 30.156 -13.715 2.028 1.00 15.52 H new ATOM 0 HB3 PHE A 75 28.817 -14.478 2.861 1.00 15.52 H new ATOM 0 HD1 PHE A 75 28.667 -17.112 1.557 1.00 41.11 H new ATOM 0 HD2 PHE A 75 32.073 -14.838 2.729 1.00 54.44 H new ATOM 0 HE1 PHE A 75 29.974 -19.181 1.763 1.00 61.42 H new ATOM 0 HE2 PHE A 75 33.384 -16.906 2.934 1.00 54.42 H new ATOM 0 HZ PHE A 75 32.335 -19.083 2.457 1.00 43.42 H new ATOM 938 N LYS A 76 26.709 -13.194 1.379 1.00 64.23 N ATOM 939 CA LYS A 76 25.313 -12.966 1.731 1.00 2.24 C ATOM 940 C LYS A 76 24.382 -13.661 0.744 1.00 53.14 C ATOM 941 O LYS A 76 23.606 -14.539 1.121 1.00 52.45 O ATOM 942 CB LYS A 76 25.013 -11.466 1.763 1.00 53.52 C ATOM 943 CG LYS A 76 24.998 -10.877 3.163 1.00 31.42 C ATOM 944 CD LYS A 76 25.392 -9.410 3.156 1.00 42.02 C ATOM 945 CE LYS A 76 26.382 -9.093 4.267 1.00 74.13 C ATOM 946 NZ LYS A 76 26.023 -7.841 4.989 1.00 72.04 N ATOM 0 H LYS A 76 27.289 -12.355 1.393 1.00 64.23 H new ATOM 0 HA LYS A 76 25.141 -13.386 2.722 1.00 2.24 H new ATOM 0 HB2 LYS A 76 25.759 -10.942 1.166 1.00 53.52 H new ATOM 0 HB3 LYS A 76 24.046 -11.288 1.293 1.00 53.52 H new ATOM 0 HG2 LYS A 76 24.002 -10.985 3.593 1.00 31.42 H new ATOM 0 HG3 LYS A 76 25.683 -11.435 3.801 1.00 31.42 H new ATOM 0 HD2 LYS A 76 25.832 -9.155 2.192 1.00 42.02 H new ATOM 0 HD3 LYS A 76 24.502 -8.792 3.274 1.00 42.02 H new ATOM 0 HE2 LYS A 76 26.414 -9.923 4.973 1.00 74.13 H new ATOM 0 HE3 LYS A 76 27.382 -8.995 3.845 1.00 74.13 H new ATOM 0 HZ1 LYS A 76 26.881 -7.276 5.152 1.00 72.04 H new ATOM 0 HZ2 LYS A 76 25.350 -7.292 4.418 1.00 72.04 H new ATOM 0 HZ3 LYS A 76 25.587 -8.080 5.903 1.00 72.04 H new ATOM 960 N MET A 77 24.465 -13.263 -0.522 1.00 24.52 N ATOM 961 CA MET A 77 23.631 -13.851 -1.564 1.00 23.13 C ATOM 962 C MET A 77 24.012 -15.308 -1.808 1.00 33.05 C ATOM 963 O MET A 77 23.184 -16.112 -2.237 1.00 5.34 O ATOM 964 CB MET A 77 23.763 -13.053 -2.862 1.00 74.35 C ATOM 965 CG MET A 77 25.193 -12.940 -3.364 1.00 60.43 C ATOM 966 SD MET A 77 25.350 -11.821 -4.769 1.00 70.12 S ATOM 967 CE MET A 77 26.187 -12.876 -5.951 1.00 14.24 C ATOM 0 H MET A 77 25.101 -12.536 -0.851 1.00 24.52 H new ATOM 0 HA MET A 77 22.595 -13.817 -1.228 1.00 23.13 H new ATOM 0 HB2 MET A 77 23.153 -13.524 -3.632 1.00 74.35 H new ATOM 0 HB3 MET A 77 23.361 -12.052 -2.706 1.00 74.35 H new ATOM 0 HG2 MET A 77 25.832 -12.590 -2.553 1.00 60.43 H new ATOM 0 HG3 MET A 77 25.553 -13.928 -3.650 1.00 60.43 H new ATOM 0 HE1 MET A 77 26.356 -12.324 -6.876 1.00 14.24 H new ATOM 0 HE2 MET A 77 27.144 -13.195 -5.539 1.00 14.24 H new ATOM 0 HE3 MET A 77 25.571 -13.751 -6.158 1.00 14.24 H new ATOM 977 N ALA A 78 25.268 -15.641 -1.531 1.00 44.05 N ATOM 978 CA ALA A 78 25.757 -17.001 -1.719 1.00 61.34 C ATOM 979 C ALA A 78 24.878 -18.007 -0.983 1.00 43.05 C ATOM 980 O ALA A 78 24.571 -19.078 -1.507 1.00 23.23 O ATOM 981 CB ALA A 78 27.199 -17.114 -1.248 1.00 45.32 C ATOM 0 H ALA A 78 25.966 -14.987 -1.175 1.00 44.05 H new ATOM 0 HA ALA A 78 25.715 -17.231 -2.784 1.00 61.34 H new ATOM 0 HB1 ALA A 78 27.551 -18.135 -1.395 1.00 45.32 H new ATOM 0 HB2 ALA A 78 27.824 -16.429 -1.821 1.00 45.32 H new ATOM 0 HB3 ALA A 78 27.257 -16.859 -0.190 1.00 45.32 H new ATOM 987 N VAL A 79 24.477 -17.656 0.234 1.00 54.50 N ATOM 988 CA VAL A 79 23.632 -18.527 1.042 1.00 64.50 C ATOM 989 C VAL A 79 22.163 -18.143 0.914 1.00 51.43 C ATOM 990 O VAL A 79 21.329 -18.566 1.713 1.00 32.13 O ATOM 991 CB VAL A 79 24.036 -18.480 2.528 1.00 63.44 C ATOM 992 CG1 VAL A 79 25.545 -18.347 2.667 1.00 61.20 C ATOM 993 CG2 VAL A 79 23.324 -17.338 3.237 1.00 62.51 C ATOM 0 H VAL A 79 24.724 -16.774 0.683 1.00 54.50 H new ATOM 0 HA VAL A 79 23.773 -19.540 0.666 1.00 64.50 H new ATOM 0 HB VAL A 79 23.733 -19.415 2.999 1.00 63.44 H new ATOM 0 HG11 VAL A 79 25.812 -18.315 3.723 1.00 61.20 H new ATOM 0 HG12 VAL A 79 26.031 -19.201 2.196 1.00 61.20 H new ATOM 0 HG13 VAL A 79 25.876 -17.429 2.182 1.00 61.20 H new ATOM 0 HG21 VAL A 79 23.621 -17.319 4.286 1.00 62.51 H new ATOM 0 HG22 VAL A 79 23.594 -16.393 2.766 1.00 62.51 H new ATOM 0 HG23 VAL A 79 22.246 -17.482 3.168 1.00 62.51 H new ATOM 1003 N GLN A 80 21.854 -17.338 -0.098 1.00 12.21 N ATOM 1004 CA GLN A 80 20.484 -16.896 -0.331 1.00 10.34 C ATOM 1005 C GLN A 80 20.028 -15.938 0.765 1.00 53.42 C ATOM 1006 O GLN A 80 18.843 -15.874 1.095 1.00 74.32 O ATOM 1007 CB GLN A 80 19.542 -18.099 -0.397 1.00 53.24 C ATOM 1008 CG GLN A 80 20.088 -19.255 -1.220 1.00 2.33 C ATOM 1009 CD GLN A 80 19.202 -20.483 -1.161 1.00 73.01 C ATOM 1010 OE1 GLN A 80 18.085 -20.482 -1.679 1.00 53.04 O ATOM 1011 NE2 GLN A 80 19.696 -21.540 -0.528 1.00 31.51 N ATOM 0 H GLN A 80 22.533 -16.979 -0.769 1.00 12.21 H new ATOM 0 HA GLN A 80 20.456 -16.369 -1.285 1.00 10.34 H new ATOM 0 HB2 GLN A 80 19.341 -18.448 0.616 1.00 53.24 H new ATOM 0 HB3 GLN A 80 18.589 -17.781 -0.820 1.00 53.24 H new ATOM 0 HG2 GLN A 80 20.195 -18.939 -2.258 1.00 2.33 H new ATOM 0 HG3 GLN A 80 21.084 -19.513 -0.861 1.00 2.33 H new ATOM 0 HE21 GLN A 80 20.627 -21.497 -0.113 1.00 31.51 H new ATOM 0 HE22 GLN A 80 19.145 -22.395 -0.457 1.00 31.51 H new ATOM 1020 N LEU A 81 20.975 -15.194 1.326 1.00 52.15 N ATOM 1021 CA LEU A 81 20.670 -14.238 2.385 1.00 64.30 C ATOM 1022 C LEU A 81 21.163 -12.842 2.017 1.00 24.54 C ATOM 1023 O LEU A 81 22.331 -12.510 2.225 1.00 72.44 O ATOM 1024 CB LEU A 81 21.308 -14.686 3.701 1.00 35.55 C ATOM 1025 CG LEU A 81 20.563 -15.778 4.470 1.00 34.32 C ATOM 1026 CD1 LEU A 81 21.221 -16.026 5.818 1.00 24.32 C ATOM 1027 CD2 LEU A 81 19.100 -15.400 4.651 1.00 12.10 C ATOM 0 H LEU A 81 21.960 -15.234 1.065 1.00 52.15 H new ATOM 0 HA LEU A 81 19.587 -14.200 2.507 1.00 64.30 H new ATOM 0 HB2 LEU A 81 22.317 -15.041 3.490 1.00 35.55 H new ATOM 0 HB3 LEU A 81 21.406 -13.815 4.349 1.00 35.55 H new ATOM 0 HG LEU A 81 20.611 -16.700 3.890 1.00 34.32 H new ATOM 0 HD11 LEU A 81 20.677 -16.806 6.350 1.00 24.32 H new ATOM 0 HD12 LEU A 81 22.253 -16.342 5.666 1.00 24.32 H new ATOM 0 HD13 LEU A 81 21.205 -15.108 6.405 1.00 24.32 H new ATOM 0 HD21 LEU A 81 18.586 -16.189 5.200 1.00 12.10 H new ATOM 0 HD22 LEU A 81 19.032 -14.466 5.208 1.00 12.10 H new ATOM 0 HD23 LEU A 81 18.633 -15.274 3.674 1.00 12.10 H new ATOM 1039 N PHE A 82 20.266 -12.028 1.473 1.00 52.12 N ATOM 1040 CA PHE A 82 20.609 -10.667 1.077 1.00 11.25 C ATOM 1041 C PHE A 82 19.404 -9.741 1.213 1.00 12.25 C ATOM 1042 O PHE A 82 19.551 -8.521 1.284 1.00 61.32 O ATOM 1043 CB PHE A 82 21.122 -10.646 -0.364 1.00 5.23 C ATOM 1044 CG PHE A 82 21.738 -9.335 -0.762 1.00 1.24 C ATOM 1045 CD1 PHE A 82 20.998 -8.388 -1.451 1.00 10.55 C ATOM 1046 CD2 PHE A 82 23.057 -9.050 -0.447 1.00 61.02 C ATOM 1047 CE1 PHE A 82 21.561 -7.180 -1.818 1.00 3.11 C ATOM 1048 CE2 PHE A 82 23.626 -7.844 -0.812 1.00 34.15 C ATOM 1049 CZ PHE A 82 22.877 -6.908 -1.499 1.00 22.52 C ATOM 0 H PHE A 82 19.295 -12.287 1.296 1.00 52.12 H new ATOM 0 HA PHE A 82 21.396 -10.310 1.741 1.00 11.25 H new ATOM 0 HB2 PHE A 82 21.860 -11.438 -0.490 1.00 5.23 H new ATOM 0 HB3 PHE A 82 20.296 -10.870 -1.039 1.00 5.23 H new ATOM 0 HD1 PHE A 82 19.969 -8.596 -1.704 1.00 10.55 H new ATOM 0 HD2 PHE A 82 23.647 -9.778 0.090 1.00 61.02 H new ATOM 0 HE1 PHE A 82 20.972 -6.450 -2.354 1.00 3.11 H new ATOM 0 HE2 PHE A 82 24.655 -7.634 -0.560 1.00 34.15 H new ATOM 0 HZ PHE A 82 23.320 -5.966 -1.786 1.00 22.52 H new TER 1059 PHE A 82