USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 687 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 9 TYR OH : rot 60:sc= 0.772 USER MOD Single : A 3 SER OG : rot -24:sc= 0.185 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0924 USER MOD Single : A 13 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0427) USER MOD Single : A 24 SER OG : rot 45:sc= 0.0617 USER MOD Single : A 42 CYS SG : rot -140:sc= -0.84 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -2.78! C(o=-2.8!,f=-5.5!) USER MOD Single : A 64 HIS : no HD1:sc= -4.76! C(o=-4.8!,f=-6.4!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 79:sc= 0.581 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 3 2.836 -5.258 -2.268 1.00 73.52 N ATOM 36 CA SER A 3 2.047 -6.315 -2.891 1.00 71.01 C ATOM 37 C SER A 3 2.698 -7.678 -2.675 1.00 51.15 C ATOM 38 O SER A 3 3.899 -7.772 -2.419 1.00 0.22 O ATOM 39 CB SER A 3 1.886 -6.045 -4.388 1.00 60.23 C ATOM 40 OG SER A 3 3.139 -5.785 -4.997 1.00 71.12 O ATOM 0 HA SER A 3 1.063 -6.324 -2.423 1.00 71.01 H new ATOM 0 HB2 SER A 3 1.417 -6.904 -4.867 1.00 60.23 H new ATOM 0 HB3 SER A 3 1.222 -5.194 -4.538 1.00 60.23 H new ATOM 0 HG SER A 3 3.771 -5.463 -4.321 1.00 71.12 H new ATOM 46 N LEU A 4 1.897 -8.732 -2.781 1.00 71.34 N ATOM 47 CA LEU A 4 2.393 -10.092 -2.598 1.00 44.24 C ATOM 48 C LEU A 4 1.806 -11.032 -3.647 1.00 2.35 C ATOM 49 O LEU A 4 0.678 -10.844 -4.102 1.00 74.43 O ATOM 50 CB LEU A 4 2.051 -10.596 -1.195 1.00 60.35 C ATOM 51 CG LEU A 4 2.078 -9.550 -0.081 1.00 1.12 C ATOM 52 CD1 LEU A 4 1.497 -10.122 1.203 1.00 70.22 C ATOM 53 CD2 LEU A 4 3.498 -9.053 0.150 1.00 52.34 C ATOM 0 H LEU A 4 0.901 -8.672 -2.993 1.00 71.34 H new ATOM 0 HA LEU A 4 3.476 -10.077 -2.717 1.00 44.24 H new ATOM 0 HB2 LEU A 4 1.057 -11.042 -1.223 1.00 60.35 H new ATOM 0 HB3 LEU A 4 2.750 -11.391 -0.936 1.00 60.35 H new ATOM 0 HG LEU A 4 1.463 -8.704 -0.389 1.00 1.12 H new ATOM 0 HD11 LEU A 4 1.525 -9.363 1.985 1.00 70.22 H new ATOM 0 HD12 LEU A 4 0.465 -10.428 1.031 1.00 70.22 H new ATOM 0 HD13 LEU A 4 2.084 -10.986 1.515 1.00 70.22 H new ATOM 0 HD21 LEU A 4 3.498 -8.309 0.947 1.00 52.34 H new ATOM 0 HD22 LEU A 4 4.135 -9.890 0.436 1.00 52.34 H new ATOM 0 HD23 LEU A 4 3.880 -8.603 -0.767 1.00 52.34 H new ATOM 65 N THR A 5 2.579 -12.046 -4.024 1.00 51.41 N ATOM 66 CA THR A 5 2.136 -13.016 -5.017 1.00 54.32 C ATOM 67 C THR A 5 1.236 -14.074 -4.389 1.00 25.22 C ATOM 68 O THR A 5 1.568 -14.648 -3.351 1.00 55.20 O ATOM 69 CB THR A 5 3.331 -13.711 -5.696 1.00 52.10 C ATOM 70 OG1 THR A 5 4.518 -13.512 -4.921 1.00 21.35 O ATOM 71 CG2 THR A 5 3.542 -13.173 -7.103 1.00 41.21 C ATOM 0 H THR A 5 3.515 -12.216 -3.656 1.00 51.41 H new ATOM 0 HA THR A 5 1.572 -12.464 -5.769 1.00 54.32 H new ATOM 0 HB THR A 5 3.114 -14.777 -5.761 1.00 52.10 H new ATOM 0 HG1 THR A 5 5.273 -13.958 -5.358 1.00 21.35 H new ATOM 0 HG21 THR A 5 4.391 -13.679 -7.562 1.00 41.21 H new ATOM 0 HG22 THR A 5 2.647 -13.352 -7.699 1.00 41.21 H new ATOM 0 HG23 THR A 5 3.739 -12.102 -7.057 1.00 41.21 H new ATOM 79 N VAL A 6 0.097 -14.330 -5.024 1.00 43.44 N ATOM 80 CA VAL A 6 -0.849 -15.321 -4.528 1.00 74.32 C ATOM 81 C VAL A 6 -1.029 -16.458 -5.528 1.00 23.32 C ATOM 82 O VAL A 6 -1.394 -16.234 -6.682 1.00 11.41 O ATOM 83 CB VAL A 6 -2.223 -14.689 -4.235 1.00 2.30 C ATOM 84 CG1 VAL A 6 -2.764 -13.990 -5.473 1.00 11.43 C ATOM 85 CG2 VAL A 6 -3.200 -15.744 -3.738 1.00 43.24 C ATOM 0 H VAL A 6 -0.193 -13.864 -5.884 1.00 43.44 H new ATOM 0 HA VAL A 6 -0.434 -15.717 -3.601 1.00 74.32 H new ATOM 0 HB VAL A 6 -2.100 -13.943 -3.450 1.00 2.30 H new ATOM 0 HG11 VAL A 6 -3.735 -13.550 -5.247 1.00 11.43 H new ATOM 0 HG12 VAL A 6 -2.072 -13.205 -5.779 1.00 11.43 H new ATOM 0 HG13 VAL A 6 -2.873 -14.713 -6.281 1.00 11.43 H new ATOM 0 HG21 VAL A 6 -4.165 -15.280 -3.536 1.00 43.24 H new ATOM 0 HG22 VAL A 6 -3.320 -16.515 -4.499 1.00 43.24 H new ATOM 0 HG23 VAL A 6 -2.815 -16.194 -2.823 1.00 43.24 H new ATOM 95 N LYS A 7 -0.770 -17.681 -5.077 1.00 64.13 N ATOM 96 CA LYS A 7 -0.904 -18.856 -5.931 1.00 3.24 C ATOM 97 C LYS A 7 -2.224 -19.573 -5.666 1.00 4.04 C ATOM 98 O LYS A 7 -2.592 -19.810 -4.516 1.00 21.14 O ATOM 99 CB LYS A 7 0.266 -19.815 -5.700 1.00 32.52 C ATOM 100 CG LYS A 7 1.626 -19.142 -5.756 1.00 12.41 C ATOM 101 CD LYS A 7 2.742 -20.107 -5.393 1.00 52.14 C ATOM 102 CE LYS A 7 3.035 -21.073 -6.531 1.00 51.33 C ATOM 103 NZ LYS A 7 4.021 -22.115 -6.134 1.00 24.11 N ATOM 0 H LYS A 7 -0.466 -17.884 -4.125 1.00 64.13 H new ATOM 0 HA LYS A 7 -0.894 -18.524 -6.969 1.00 3.24 H new ATOM 0 HB2 LYS A 7 0.146 -20.293 -4.728 1.00 32.52 H new ATOM 0 HB3 LYS A 7 0.230 -20.605 -6.450 1.00 32.52 H new ATOM 0 HG2 LYS A 7 1.797 -18.748 -6.758 1.00 12.41 H new ATOM 0 HG3 LYS A 7 1.641 -18.293 -5.072 1.00 12.41 H new ATOM 0 HD2 LYS A 7 3.644 -19.546 -5.149 1.00 52.14 H new ATOM 0 HD3 LYS A 7 2.464 -20.668 -4.501 1.00 52.14 H new ATOM 0 HE2 LYS A 7 2.109 -21.552 -6.848 1.00 51.33 H new ATOM 0 HE3 LYS A 7 3.417 -20.519 -7.388 1.00 51.33 H new ATOM 0 HZ1 LYS A 7 4.194 -22.753 -6.937 1.00 24.11 H new ATOM 0 HZ2 LYS A 7 4.914 -21.660 -5.855 1.00 24.11 H new ATOM 0 HZ3 LYS A 7 3.646 -22.661 -5.332 1.00 24.11 H new ATOM 117 N ALA A 8 -2.930 -19.917 -6.737 1.00 54.02 N ATOM 118 CA ALA A 8 -4.207 -20.610 -6.620 1.00 32.32 C ATOM 119 C ALA A 8 -4.128 -22.011 -7.217 1.00 30.34 C ATOM 120 O ALA A 8 -3.762 -22.181 -8.380 1.00 75.30 O ATOM 121 CB ALA A 8 -5.308 -19.807 -7.297 1.00 60.42 C ATOM 0 H ALA A 8 -2.639 -19.727 -7.696 1.00 54.02 H new ATOM 0 HA ALA A 8 -4.443 -20.708 -5.560 1.00 32.32 H new ATOM 0 HB1 ALA A 8 -6.256 -20.337 -7.202 1.00 60.42 H new ATOM 0 HB2 ALA A 8 -5.389 -18.829 -6.822 1.00 60.42 H new ATOM 0 HB3 ALA A 8 -5.068 -19.679 -8.353 1.00 60.42 H new ATOM 127 N TYR A 9 -4.472 -23.012 -6.413 1.00 42.32 N ATOM 128 CA TYR A 9 -4.436 -24.399 -6.861 1.00 55.35 C ATOM 129 C TYR A 9 -5.835 -24.890 -7.222 1.00 61.44 C ATOM 130 O TYR A 9 -6.684 -25.080 -6.350 1.00 63.22 O ATOM 131 CB TYR A 9 -3.834 -25.292 -5.776 1.00 21.20 C ATOM 132 CG TYR A 9 -2.370 -25.023 -5.514 1.00 5.54 C ATOM 133 CD1 TYR A 9 -1.384 -25.587 -6.314 1.00 54.03 C ATOM 134 CD2 TYR A 9 -1.971 -24.202 -4.465 1.00 71.22 C ATOM 135 CE1 TYR A 9 -0.045 -25.344 -6.078 1.00 13.15 C ATOM 136 CE2 TYR A 9 -0.634 -23.952 -4.222 1.00 34.31 C ATOM 137 CZ TYR A 9 0.325 -24.526 -5.030 1.00 53.25 C ATOM 138 OH TYR A 9 1.657 -24.280 -4.792 1.00 45.03 O ATOM 0 H TYR A 9 -4.779 -22.888 -5.448 1.00 42.32 H new ATOM 0 HA TYR A 9 -3.811 -24.451 -7.752 1.00 55.35 H new ATOM 0 HB2 TYR A 9 -4.392 -25.151 -4.850 1.00 21.20 H new ATOM 0 HB3 TYR A 9 -3.957 -26.335 -6.066 1.00 21.20 H new ATOM 0 HD1 TYR A 9 -1.670 -26.227 -7.136 1.00 54.03 H new ATOM 0 HD2 TYR A 9 -2.719 -23.752 -3.829 1.00 71.22 H new ATOM 0 HE1 TYR A 9 0.708 -25.791 -6.710 1.00 13.15 H new ATOM 0 HE2 TYR A 9 -0.342 -23.311 -3.404 1.00 34.31 H new ATOM 0 HH TYR A 9 2.057 -23.855 -5.579 1.00 45.03 H new ATOM 148 N LEU A 10 -6.067 -25.096 -8.514 1.00 54.51 N ATOM 149 CA LEU A 10 -7.362 -25.566 -8.993 1.00 74.31 C ATOM 150 C LEU A 10 -7.451 -27.087 -8.919 1.00 24.25 C ATOM 151 O LEU A 10 -6.590 -27.796 -9.442 1.00 71.13 O ATOM 152 CB LEU A 10 -7.597 -25.100 -10.431 1.00 64.31 C ATOM 153 CG LEU A 10 -8.850 -25.644 -11.117 1.00 72.12 C ATOM 154 CD1 LEU A 10 -10.077 -25.413 -10.248 1.00 61.34 C ATOM 155 CD2 LEU A 10 -9.033 -24.999 -12.483 1.00 61.13 C ATOM 0 H LEU A 10 -5.375 -24.945 -9.248 1.00 54.51 H new ATOM 0 HA LEU A 10 -8.134 -25.143 -8.350 1.00 74.31 H new ATOM 0 HB2 LEU A 10 -7.649 -24.011 -10.435 1.00 64.31 H new ATOM 0 HB3 LEU A 10 -6.730 -25.380 -11.029 1.00 64.31 H new ATOM 0 HG LEU A 10 -8.727 -26.718 -11.258 1.00 72.12 H new ATOM 0 HD11 LEU A 10 -10.959 -25.807 -10.752 1.00 61.34 H new ATOM 0 HD12 LEU A 10 -9.948 -25.922 -9.293 1.00 61.34 H new ATOM 0 HD13 LEU A 10 -10.204 -24.344 -10.075 1.00 61.34 H new ATOM 0 HD21 LEU A 10 -9.930 -25.398 -12.957 1.00 61.13 H new ATOM 0 HD22 LEU A 10 -9.134 -23.920 -12.365 1.00 61.13 H new ATOM 0 HD23 LEU A 10 -8.166 -25.216 -13.107 1.00 61.13 H new ATOM 167 N LEU A 11 -8.497 -27.583 -8.266 1.00 44.45 N ATOM 168 CA LEU A 11 -8.699 -29.020 -8.125 1.00 72.42 C ATOM 169 C LEU A 11 -9.861 -29.494 -8.993 1.00 22.53 C ATOM 170 O LEU A 11 -10.939 -28.902 -8.982 1.00 31.32 O ATOM 171 CB LEU A 11 -8.963 -29.377 -6.661 1.00 45.21 C ATOM 172 CG LEU A 11 -8.178 -28.574 -5.623 1.00 44.22 C ATOM 173 CD1 LEU A 11 -8.417 -29.128 -4.227 1.00 43.13 C ATOM 174 CD2 LEU A 11 -6.692 -28.581 -5.955 1.00 35.32 C ATOM 0 H LEU A 11 -9.218 -27.011 -7.826 1.00 44.45 H new ATOM 0 HA LEU A 11 -7.791 -29.524 -8.457 1.00 72.42 H new ATOM 0 HB2 LEU A 11 -10.027 -29.248 -6.462 1.00 45.21 H new ATOM 0 HB3 LEU A 11 -8.738 -30.434 -6.519 1.00 45.21 H new ATOM 0 HG LEU A 11 -8.530 -27.543 -5.647 1.00 44.22 H new ATOM 0 HD11 LEU A 11 -7.850 -28.544 -3.502 1.00 43.13 H new ATOM 0 HD12 LEU A 11 -9.479 -29.070 -3.989 1.00 43.13 H new ATOM 0 HD13 LEU A 11 -8.093 -30.168 -4.188 1.00 43.13 H new ATOM 0 HD21 LEU A 11 -6.149 -28.005 -5.206 1.00 35.32 H new ATOM 0 HD22 LEU A 11 -6.325 -29.607 -5.960 1.00 35.32 H new ATOM 0 HD23 LEU A 11 -6.537 -28.136 -6.938 1.00 35.32 H new ATOM 186 N GLY A 12 -9.633 -30.569 -9.743 1.00 0.43 N ATOM 187 CA GLY A 12 -10.670 -31.105 -10.604 1.00 32.50 C ATOM 188 C GLY A 12 -11.507 -32.164 -9.913 1.00 54.42 C ATOM 189 O GLY A 12 -12.163 -31.889 -8.908 1.00 21.22 O ATOM 0 H GLY A 12 -8.749 -31.077 -9.769 1.00 0.43 H new ATOM 0 HA2 GLY A 12 -11.318 -30.294 -10.936 1.00 32.50 H new ATOM 0 HA3 GLY A 12 -10.212 -31.533 -11.496 1.00 32.50 H new ATOM 193 N LYS A 13 -11.488 -33.377 -10.454 1.00 23.34 N ATOM 194 CA LYS A 13 -12.251 -34.481 -9.884 1.00 23.51 C ATOM 195 C LYS A 13 -11.362 -35.367 -9.017 1.00 4.24 C ATOM 196 O LYS A 13 -11.818 -35.941 -8.029 1.00 21.13 O ATOM 197 CB LYS A 13 -12.889 -35.316 -10.997 1.00 45.32 C ATOM 198 CG LYS A 13 -13.668 -36.516 -10.488 1.00 10.44 C ATOM 199 CD LYS A 13 -12.789 -37.751 -10.390 1.00 60.24 C ATOM 200 CE LYS A 13 -13.607 -39.028 -10.509 1.00 50.13 C ATOM 201 NZ LYS A 13 -14.662 -39.110 -9.462 1.00 33.12 N ATOM 0 H LYS A 13 -10.952 -33.621 -11.287 1.00 23.34 H new ATOM 0 HA LYS A 13 -13.037 -34.060 -9.257 1.00 23.51 H new ATOM 0 HB2 LYS A 13 -13.557 -34.681 -11.579 1.00 45.32 H new ATOM 0 HB3 LYS A 13 -12.107 -35.661 -11.674 1.00 45.32 H new ATOM 0 HG2 LYS A 13 -14.088 -36.289 -9.508 1.00 10.44 H new ATOM 0 HG3 LYS A 13 -14.506 -36.717 -11.156 1.00 10.44 H new ATOM 0 HD2 LYS A 13 -12.035 -37.726 -11.177 1.00 60.24 H new ATOM 0 HD3 LYS A 13 -12.257 -37.746 -9.439 1.00 60.24 H new ATOM 0 HE2 LYS A 13 -14.070 -39.072 -11.495 1.00 50.13 H new ATOM 0 HE3 LYS A 13 -12.947 -39.891 -10.428 1.00 50.13 H new ATOM 0 HZ1 LYS A 13 -15.095 -40.055 -9.479 1.00 33.12 H new ATOM 0 HZ2 LYS A 13 -14.238 -38.941 -8.528 1.00 33.12 H new ATOM 0 HZ3 LYS A 13 -15.391 -38.392 -9.647 1.00 33.12 H new ATOM 215 N GLU A 14 -10.091 -35.471 -9.393 1.00 3.13 N ATOM 216 CA GLU A 14 -9.139 -36.286 -8.648 1.00 24.15 C ATOM 217 C GLU A 14 -8.385 -35.443 -7.623 1.00 44.35 C ATOM 218 O GLU A 14 -7.333 -35.845 -7.127 1.00 33.23 O ATOM 219 CB GLU A 14 -8.148 -36.954 -9.603 1.00 62.21 C ATOM 220 CG GLU A 14 -8.801 -37.913 -10.585 1.00 2.33 C ATOM 221 CD GLU A 14 -7.792 -38.617 -11.472 1.00 11.55 C ATOM 222 OE1 GLU A 14 -7.337 -37.999 -12.457 1.00 62.01 O ATOM 223 OE2 GLU A 14 -7.458 -39.784 -11.181 1.00 33.03 O ATOM 0 H GLU A 14 -9.697 -35.001 -10.208 1.00 3.13 H new ATOM 0 HA GLU A 14 -9.698 -37.057 -8.118 1.00 24.15 H new ATOM 0 HB2 GLU A 14 -7.617 -36.182 -10.160 1.00 62.21 H new ATOM 0 HB3 GLU A 14 -7.403 -37.496 -9.020 1.00 62.21 H new ATOM 0 HG2 GLU A 14 -9.375 -38.657 -10.033 1.00 2.33 H new ATOM 0 HG3 GLU A 14 -9.507 -37.364 -11.209 1.00 2.33 H new ATOM 230 N GLU A 15 -8.930 -34.270 -7.314 1.00 71.50 N ATOM 231 CA GLU A 15 -8.308 -33.370 -6.351 1.00 11.24 C ATOM 232 C GLU A 15 -6.842 -33.128 -6.699 1.00 73.23 C ATOM 233 O GLU A 15 -6.013 -32.902 -5.819 1.00 20.03 O ATOM 234 CB GLU A 15 -8.419 -33.944 -4.937 1.00 15.24 C ATOM 235 CG GLU A 15 -9.850 -34.054 -4.435 1.00 64.24 C ATOM 236 CD GLU A 15 -9.936 -34.095 -2.922 1.00 41.31 C ATOM 237 OE1 GLU A 15 -9.448 -33.146 -2.274 1.00 11.42 O ATOM 238 OE2 GLU A 15 -10.492 -35.076 -2.386 1.00 71.33 O ATOM 0 H GLU A 15 -9.800 -33.922 -7.717 1.00 71.50 H new ATOM 0 HA GLU A 15 -8.835 -32.417 -6.391 1.00 11.24 H new ATOM 0 HB2 GLU A 15 -7.959 -34.932 -4.918 1.00 15.24 H new ATOM 0 HB3 GLU A 15 -7.850 -33.314 -4.253 1.00 15.24 H new ATOM 0 HG2 GLU A 15 -10.427 -33.207 -4.805 1.00 64.24 H new ATOM 0 HG3 GLU A 15 -10.307 -34.954 -4.846 1.00 64.24 H new ATOM 245 N ALA A 16 -6.531 -33.179 -7.990 1.00 52.24 N ATOM 246 CA ALA A 16 -5.167 -32.964 -8.456 1.00 62.34 C ATOM 247 C ALA A 16 -5.015 -31.589 -9.097 1.00 13.44 C ATOM 248 O ALA A 16 -5.978 -31.027 -9.618 1.00 40.20 O ATOM 249 CB ALA A 16 -4.768 -34.054 -9.441 1.00 11.40 C ATOM 0 H ALA A 16 -7.205 -33.367 -8.732 1.00 52.24 H new ATOM 0 HA ALA A 16 -4.504 -33.008 -7.592 1.00 62.34 H new ATOM 0 HB1 ALA A 16 -3.747 -33.881 -9.781 1.00 11.40 H new ATOM 0 HB2 ALA A 16 -4.828 -35.026 -8.952 1.00 11.40 H new ATOM 0 HB3 ALA A 16 -5.443 -34.036 -10.296 1.00 11.40 H new ATOM 255 N ALA A 17 -3.801 -31.051 -9.053 1.00 24.23 N ATOM 256 CA ALA A 17 -3.523 -29.742 -9.630 1.00 12.23 C ATOM 257 C ALA A 17 -3.923 -29.694 -11.101 1.00 31.15 C ATOM 258 O ALA A 17 -3.230 -30.238 -11.960 1.00 23.41 O ATOM 259 CB ALA A 17 -2.050 -29.396 -9.470 1.00 12.22 C ATOM 0 H ALA A 17 -2.993 -31.502 -8.623 1.00 24.23 H new ATOM 0 HA ALA A 17 -4.119 -29.003 -9.094 1.00 12.23 H new ATOM 0 HB1 ALA A 17 -1.857 -28.416 -9.906 1.00 12.22 H new ATOM 0 HB2 ALA A 17 -1.793 -29.379 -8.411 1.00 12.22 H new ATOM 0 HB3 ALA A 17 -1.443 -30.145 -9.979 1.00 12.22 H new ATOM 265 N ARG A 18 -5.045 -29.041 -11.383 1.00 14.31 N ATOM 266 CA ARG A 18 -5.538 -28.924 -12.750 1.00 72.21 C ATOM 267 C ARG A 18 -4.931 -27.709 -13.445 1.00 64.33 C ATOM 268 O ARG A 18 -4.779 -27.693 -14.666 1.00 64.12 O ATOM 269 CB ARG A 18 -7.064 -28.819 -12.757 1.00 74.15 C ATOM 270 CG ARG A 18 -7.709 -29.409 -14.001 1.00 54.41 C ATOM 271 CD ARG A 18 -9.100 -29.948 -13.705 1.00 22.41 C ATOM 272 NE ARG A 18 -9.674 -30.643 -14.854 1.00 41.55 N ATOM 273 CZ ARG A 18 -10.962 -30.949 -14.960 1.00 52.50 C ATOM 274 NH1 ARG A 18 -11.806 -30.623 -13.990 1.00 41.15 N ATOM 275 NH2 ARG A 18 -11.409 -31.581 -16.037 1.00 60.15 N ATOM 0 H ARG A 18 -5.630 -28.585 -10.683 1.00 14.31 H new ATOM 0 HA ARG A 18 -5.239 -29.820 -13.295 1.00 72.21 H new ATOM 0 HB2 ARG A 18 -7.459 -29.327 -11.877 1.00 74.15 H new ATOM 0 HB3 ARG A 18 -7.348 -27.770 -12.673 1.00 74.15 H new ATOM 0 HG2 ARG A 18 -7.771 -28.646 -14.777 1.00 54.41 H new ATOM 0 HG3 ARG A 18 -7.082 -30.211 -14.392 1.00 54.41 H new ATOM 0 HD2 ARG A 18 -9.051 -30.630 -12.856 1.00 22.41 H new ATOM 0 HD3 ARG A 18 -9.754 -29.125 -13.416 1.00 22.41 H new ATOM 0 HE ARG A 18 -9.051 -30.908 -15.617 1.00 41.55 H new ATOM 0 HH11 ARG A 18 -11.466 -30.136 -13.161 1.00 41.15 H new ATOM 0 HH12 ARG A 18 -12.795 -30.859 -14.074 1.00 41.15 H new ATOM 0 HH21 ARG A 18 -10.763 -31.833 -16.785 1.00 60.15 H new ATOM 0 HH22 ARG A 18 -12.399 -31.815 -16.117 1.00 60.15 H new ATOM 289 N GLU A 19 -4.586 -26.694 -12.659 1.00 32.44 N ATOM 290 CA GLU A 19 -3.997 -25.475 -13.200 1.00 22.33 C ATOM 291 C GLU A 19 -3.195 -24.738 -12.131 1.00 12.21 C ATOM 292 O GLU A 19 -3.458 -24.878 -10.936 1.00 61.11 O ATOM 293 CB GLU A 19 -5.088 -24.559 -13.758 1.00 2.04 C ATOM 294 CG GLU A 19 -4.606 -23.651 -14.877 1.00 14.13 C ATOM 295 CD GLU A 19 -4.134 -24.424 -16.093 1.00 10.22 C ATOM 296 OE1 GLU A 19 -4.986 -24.795 -16.927 1.00 33.12 O ATOM 297 OE2 GLU A 19 -2.913 -24.658 -16.210 1.00 51.44 O ATOM 0 H GLU A 19 -4.704 -26.692 -11.646 1.00 32.44 H new ATOM 0 HA GLU A 19 -3.321 -25.756 -14.008 1.00 22.33 H new ATOM 0 HB2 GLU A 19 -5.911 -25.171 -14.127 1.00 2.04 H new ATOM 0 HB3 GLU A 19 -5.485 -23.946 -12.949 1.00 2.04 H new ATOM 0 HG2 GLU A 19 -5.414 -22.980 -15.169 1.00 14.13 H new ATOM 0 HG3 GLU A 19 -3.791 -23.028 -14.509 1.00 14.13 H new ATOM 304 N ILE A 20 -2.217 -23.953 -12.570 1.00 11.11 N ATOM 305 CA ILE A 20 -1.378 -23.193 -11.652 1.00 23.21 C ATOM 306 C ILE A 20 -1.143 -21.777 -12.166 1.00 14.34 C ATOM 307 O ILE A 20 -0.509 -21.578 -13.202 1.00 32.30 O ATOM 308 CB ILE A 20 -0.017 -23.880 -11.434 1.00 65.02 C ATOM 309 CG1 ILE A 20 -0.217 -25.344 -11.038 1.00 31.15 C ATOM 310 CG2 ILE A 20 0.785 -23.143 -10.372 1.00 11.32 C ATOM 311 CD1 ILE A 20 -0.913 -25.519 -9.706 1.00 71.40 C ATOM 0 H ILE A 20 -1.986 -23.827 -13.555 1.00 11.11 H new ATOM 0 HA ILE A 20 -1.910 -23.148 -10.702 1.00 23.21 H new ATOM 0 HB ILE A 20 0.542 -23.850 -12.369 1.00 65.02 H new ATOM 0 HG12 ILE A 20 -0.799 -25.845 -11.812 1.00 31.15 H new ATOM 0 HG13 ILE A 20 0.754 -25.838 -10.999 1.00 31.15 H new ATOM 0 HG21 ILE A 20 1.744 -23.641 -10.230 1.00 11.32 H new ATOM 0 HG22 ILE A 20 0.954 -22.115 -10.692 1.00 11.32 H new ATOM 0 HG23 ILE A 20 0.232 -23.145 -9.432 1.00 11.32 H new ATOM 0 HD11 ILE A 20 -1.021 -26.582 -9.489 1.00 71.40 H new ATOM 0 HD12 ILE A 20 -0.321 -25.047 -8.922 1.00 71.40 H new ATOM 0 HD13 ILE A 20 -1.898 -25.055 -9.747 1.00 71.40 H new ATOM 323 N ARG A 21 -1.658 -20.795 -11.433 1.00 2.34 N ATOM 324 CA ARG A 21 -1.504 -19.396 -11.814 1.00 12.24 C ATOM 325 C ARG A 21 -1.360 -18.509 -10.580 1.00 62.12 C ATOM 326 O ARG A 21 -1.805 -18.868 -9.490 1.00 23.21 O ATOM 327 CB ARG A 21 -2.702 -18.938 -12.647 1.00 14.51 C ATOM 328 CG ARG A 21 -2.597 -19.304 -14.118 1.00 71.52 C ATOM 329 CD ARG A 21 -1.788 -18.276 -14.892 1.00 44.03 C ATOM 330 NE ARG A 21 -1.363 -18.782 -16.195 1.00 3.51 N ATOM 331 CZ ARG A 21 -1.002 -17.998 -17.205 1.00 63.21 C ATOM 332 NH1 ARG A 21 -1.014 -16.680 -17.063 1.00 64.03 N ATOM 333 NH2 ARG A 21 -0.627 -18.533 -18.360 1.00 72.32 N ATOM 0 H ARG A 21 -2.185 -20.942 -10.572 1.00 2.34 H new ATOM 0 HA ARG A 21 -0.598 -19.306 -12.413 1.00 12.24 H new ATOM 0 HB2 ARG A 21 -3.610 -19.379 -12.236 1.00 14.51 H new ATOM 0 HB3 ARG A 21 -2.804 -17.857 -12.557 1.00 14.51 H new ATOM 0 HG2 ARG A 21 -2.132 -20.285 -14.218 1.00 71.52 H new ATOM 0 HG3 ARG A 21 -3.596 -19.380 -14.547 1.00 71.52 H new ATOM 0 HD2 ARG A 21 -2.385 -17.374 -15.030 1.00 44.03 H new ATOM 0 HD3 ARG A 21 -0.911 -17.992 -14.310 1.00 44.03 H new ATOM 0 HE ARG A 21 -1.342 -19.792 -16.337 1.00 3.51 H new ATOM 0 HH11 ARG A 21 -1.301 -16.265 -16.176 1.00 64.03 H new ATOM 0 HH12 ARG A 21 -0.736 -16.081 -17.840 1.00 64.03 H new ATOM 0 HH21 ARG A 21 -0.616 -19.547 -18.473 1.00 72.32 H new ATOM 0 HH22 ARG A 21 -0.350 -17.931 -19.135 1.00 72.32 H new ATOM 347 N ARG A 22 -0.735 -17.350 -10.761 1.00 23.32 N ATOM 348 CA ARG A 22 -0.530 -16.413 -9.663 1.00 31.43 C ATOM 349 C ARG A 22 -0.566 -14.972 -10.164 1.00 22.53 C ATOM 350 O ARG A 22 -0.271 -14.701 -11.328 1.00 22.41 O ATOM 351 CB ARG A 22 0.805 -16.691 -8.970 1.00 2.34 C ATOM 352 CG ARG A 22 1.999 -16.648 -9.909 1.00 4.31 C ATOM 353 CD ARG A 22 3.096 -17.600 -9.459 1.00 44.11 C ATOM 354 NE ARG A 22 4.087 -16.935 -8.617 1.00 10.12 N ATOM 355 CZ ARG A 22 4.973 -16.058 -9.076 1.00 55.14 C ATOM 356 NH1 ARG A 22 4.991 -15.742 -10.364 1.00 14.32 N ATOM 357 NH2 ARG A 22 5.842 -15.495 -8.247 1.00 42.23 N ATOM 0 H ARG A 22 -0.362 -17.038 -11.657 1.00 23.32 H new ATOM 0 HA ARG A 22 -1.339 -16.550 -8.946 1.00 31.43 H new ATOM 0 HB2 ARG A 22 0.952 -15.959 -8.176 1.00 2.34 H new ATOM 0 HB3 ARG A 22 0.761 -17.672 -8.496 1.00 2.34 H new ATOM 0 HG2 ARG A 22 1.680 -16.910 -10.918 1.00 4.31 H new ATOM 0 HG3 ARG A 22 2.392 -15.632 -9.953 1.00 4.31 H new ATOM 0 HD2 ARG A 22 2.652 -18.430 -8.910 1.00 44.11 H new ATOM 0 HD3 ARG A 22 3.589 -18.024 -10.334 1.00 44.11 H new ATOM 0 HE ARG A 22 4.099 -17.156 -7.621 1.00 10.12 H new ATOM 0 HH11 ARG A 22 4.324 -16.173 -11.004 1.00 14.32 H new ATOM 0 HH12 ARG A 22 5.672 -15.068 -10.714 1.00 14.32 H new ATOM 0 HH21 ARG A 22 5.831 -15.735 -7.256 1.00 42.23 H new ATOM 0 HH22 ARG A 22 6.522 -14.822 -8.601 1.00 42.23 H new ATOM 371 N PHE A 23 -0.930 -14.052 -9.277 1.00 25.01 N ATOM 372 CA PHE A 23 -1.005 -12.639 -9.629 1.00 55.01 C ATOM 373 C PHE A 23 -0.584 -11.762 -8.454 1.00 32.15 C ATOM 374 O PHE A 23 -0.514 -12.224 -7.315 1.00 1.24 O ATOM 375 CB PHE A 23 -2.426 -12.276 -10.067 1.00 60.41 C ATOM 376 CG PHE A 23 -3.465 -12.550 -9.018 1.00 31.42 C ATOM 377 CD1 PHE A 23 -3.771 -11.596 -8.061 1.00 54.13 C ATOM 378 CD2 PHE A 23 -4.135 -13.763 -8.988 1.00 13.24 C ATOM 379 CE1 PHE A 23 -4.727 -11.845 -7.095 1.00 15.35 C ATOM 380 CE2 PHE A 23 -5.092 -14.017 -8.024 1.00 35.03 C ATOM 381 CZ PHE A 23 -5.388 -13.057 -7.075 1.00 71.42 C ATOM 0 H PHE A 23 -1.178 -14.260 -8.310 1.00 25.01 H new ATOM 0 HA PHE A 23 -0.319 -12.460 -10.457 1.00 55.01 H new ATOM 0 HB2 PHE A 23 -2.457 -11.219 -10.331 1.00 60.41 H new ATOM 0 HB3 PHE A 23 -2.674 -12.837 -10.968 1.00 60.41 H new ATOM 0 HD1 PHE A 23 -3.256 -10.647 -8.070 1.00 54.13 H new ATOM 0 HD2 PHE A 23 -3.907 -14.518 -9.726 1.00 13.24 H new ATOM 0 HE1 PHE A 23 -4.957 -11.092 -6.356 1.00 15.35 H new ATOM 0 HE2 PHE A 23 -5.608 -14.965 -8.012 1.00 35.03 H new ATOM 0 HZ PHE A 23 -6.134 -13.254 -6.320 1.00 71.42 H new ATOM 391 N SER A 24 -0.304 -10.494 -8.739 1.00 73.41 N ATOM 392 CA SER A 24 0.115 -9.553 -7.707 1.00 55.03 C ATOM 393 C SER A 24 -1.083 -9.067 -6.896 1.00 71.44 C ATOM 394 O SER A 24 -2.023 -8.488 -7.442 1.00 30.44 O ATOM 395 CB SER A 24 0.835 -8.360 -8.338 1.00 3.11 C ATOM 396 OG SER A 24 0.194 -7.950 -9.533 1.00 70.33 O ATOM 0 H SER A 24 -0.360 -10.095 -9.676 1.00 73.41 H new ATOM 0 HA SER A 24 0.801 -10.069 -7.036 1.00 55.03 H new ATOM 0 HB2 SER A 24 0.858 -7.530 -7.631 1.00 3.11 H new ATOM 0 HB3 SER A 24 1.870 -8.627 -8.550 1.00 3.11 H new ATOM 0 HG SER A 24 -0.776 -7.927 -9.393 1.00 70.33 H new ATOM 402 N PHE A 25 -1.042 -9.308 -5.590 1.00 42.21 N ATOM 403 CA PHE A 25 -2.123 -8.897 -4.703 1.00 13.45 C ATOM 404 C PHE A 25 -1.711 -7.688 -3.866 1.00 72.54 C ATOM 405 O PHE A 25 -0.528 -7.482 -3.596 1.00 25.34 O ATOM 406 CB PHE A 25 -2.526 -10.053 -3.785 1.00 1.22 C ATOM 407 CG PHE A 25 -3.725 -9.752 -2.932 1.00 54.24 C ATOM 408 CD1 PHE A 25 -4.966 -9.534 -3.510 1.00 63.54 C ATOM 409 CD2 PHE A 25 -3.613 -9.686 -1.553 1.00 5.40 C ATOM 410 CE1 PHE A 25 -6.072 -9.258 -2.729 1.00 3.31 C ATOM 411 CE2 PHE A 25 -4.715 -9.410 -0.766 1.00 41.44 C ATOM 412 CZ PHE A 25 -5.946 -9.194 -1.355 1.00 63.21 C ATOM 0 H PHE A 25 -0.272 -9.786 -5.123 1.00 42.21 H new ATOM 0 HA PHE A 25 -2.977 -8.616 -5.319 1.00 13.45 H new ATOM 0 HB2 PHE A 25 -2.735 -10.933 -4.393 1.00 1.22 H new ATOM 0 HB3 PHE A 25 -1.684 -10.304 -3.139 1.00 1.22 H new ATOM 0 HD1 PHE A 25 -5.070 -9.580 -4.584 1.00 63.54 H new ATOM 0 HD2 PHE A 25 -2.653 -9.852 -1.087 1.00 5.40 H new ATOM 0 HE1 PHE A 25 -7.033 -9.093 -3.192 1.00 3.31 H new ATOM 0 HE2 PHE A 25 -4.614 -9.363 0.308 1.00 41.44 H new ATOM 0 HZ PHE A 25 -6.808 -8.976 -0.742 1.00 63.21 H new ATOM 598 N GLY A 40 -13.759 -7.021 1.103 1.00 70.31 N ATOM 599 CA GLY A 40 -12.796 -6.270 0.319 1.00 1.04 C ATOM 600 C GLY A 40 -11.831 -7.168 -0.429 1.00 4.22 C ATOM 601 O GLY A 40 -11.894 -7.302 -1.651 1.00 10.40 O ATOM 0 HA2 GLY A 40 -13.326 -5.638 -0.394 1.00 1.04 H new ATOM 0 HA3 GLY A 40 -12.235 -5.607 0.977 1.00 1.04 H new ATOM 605 N PRO A 41 -10.910 -7.801 0.313 1.00 63.32 N ATOM 606 CA PRO A 41 -9.908 -8.701 -0.267 1.00 74.15 C ATOM 607 C PRO A 41 -10.524 -9.996 -0.786 1.00 30.20 C ATOM 608 O PRO A 41 -10.191 -10.460 -1.877 1.00 43.54 O ATOM 609 CB PRO A 41 -8.968 -8.988 0.905 1.00 24.23 C ATOM 610 CG PRO A 41 -9.804 -8.783 2.121 1.00 42.50 C ATOM 611 CD PRO A 41 -10.776 -7.688 1.775 1.00 65.42 C ATOM 0 HA PRO A 41 -9.412 -8.257 -1.130 1.00 74.15 H new ATOM 0 HB2 PRO A 41 -8.578 -10.005 0.860 1.00 24.23 H new ATOM 0 HB3 PRO A 41 -8.109 -8.317 0.897 1.00 24.23 H new ATOM 0 HG2 PRO A 41 -10.329 -9.699 2.393 1.00 42.50 H new ATOM 0 HG3 PRO A 41 -9.188 -8.503 2.975 1.00 42.50 H new ATOM 0 HD2 PRO A 41 -11.733 -7.826 2.278 1.00 65.42 H new ATOM 0 HD3 PRO A 41 -10.400 -6.708 2.070 1.00 65.42 H new ATOM 619 N CYS A 42 -11.423 -10.575 0.002 1.00 70.30 N ATOM 620 CA CYS A 42 -12.085 -11.818 -0.378 1.00 73.11 C ATOM 621 C CYS A 42 -12.698 -11.704 -1.770 1.00 65.33 C ATOM 622 O CYS A 42 -12.400 -12.504 -2.657 1.00 24.24 O ATOM 623 CB CYS A 42 -13.168 -12.175 0.641 1.00 73.51 C ATOM 624 SG CYS A 42 -14.198 -13.583 0.161 1.00 5.44 S ATOM 0 H CYS A 42 -11.710 -10.204 0.908 1.00 70.30 H new ATOM 0 HA CYS A 42 -11.336 -12.610 -0.394 1.00 73.11 H new ATOM 0 HB2 CYS A 42 -12.694 -12.395 1.597 1.00 73.51 H new ATOM 0 HB3 CYS A 42 -13.808 -11.306 0.795 1.00 73.51 H new ATOM 0 HG CYS A 42 -15.435 -13.346 0.483 1.00 5.44 H new ATOM 630 N GLU A 43 -13.556 -10.706 -1.954 1.00 3.30 N ATOM 631 CA GLU A 43 -14.212 -10.490 -3.238 1.00 43.42 C ATOM 632 C GLU A 43 -13.183 -10.328 -4.354 1.00 14.30 C ATOM 633 O GLU A 43 -13.292 -10.954 -5.408 1.00 53.45 O ATOM 634 CB GLU A 43 -15.111 -9.253 -3.175 1.00 61.20 C ATOM 635 CG GLU A 43 -15.648 -8.821 -4.529 1.00 63.12 C ATOM 636 CD GLU A 43 -16.532 -9.874 -5.169 1.00 50.31 C ATOM 637 OE1 GLU A 43 -17.447 -10.376 -4.485 1.00 34.35 O ATOM 638 OE2 GLU A 43 -16.308 -10.194 -6.355 1.00 73.33 O ATOM 0 H GLU A 43 -13.813 -10.034 -1.231 1.00 3.30 H new ATOM 0 HA GLU A 43 -14.825 -11.365 -3.456 1.00 43.42 H new ATOM 0 HB2 GLU A 43 -15.950 -9.457 -2.509 1.00 61.20 H new ATOM 0 HB3 GLU A 43 -14.549 -8.428 -2.736 1.00 61.20 H new ATOM 0 HG2 GLU A 43 -16.215 -7.897 -4.413 1.00 63.12 H new ATOM 0 HG3 GLU A 43 -14.813 -8.601 -5.194 1.00 63.12 H new ATOM 645 N ARG A 44 -12.186 -9.483 -4.113 1.00 60.04 N ATOM 646 CA ARG A 44 -11.139 -9.237 -5.098 1.00 10.24 C ATOM 647 C ARG A 44 -10.457 -10.540 -5.504 1.00 32.13 C ATOM 648 O ARG A 44 -10.345 -10.851 -6.690 1.00 60.22 O ATOM 649 CB ARG A 44 -10.103 -8.260 -4.538 1.00 53.44 C ATOM 650 CG ARG A 44 -10.649 -6.860 -4.308 1.00 1.21 C ATOM 651 CD ARG A 44 -10.536 -6.005 -5.560 1.00 51.33 C ATOM 652 NE ARG A 44 -9.174 -5.521 -5.772 1.00 74.11 N ATOM 653 CZ ARG A 44 -8.745 -5.016 -6.923 1.00 4.21 C ATOM 654 NH1 ARG A 44 -9.566 -4.928 -7.960 1.00 41.10 N ATOM 655 NH2 ARG A 44 -7.491 -4.597 -7.038 1.00 1.42 N ATOM 0 H ARG A 44 -12.081 -8.958 -3.245 1.00 60.04 H new ATOM 0 HA ARG A 44 -11.602 -8.799 -5.982 1.00 10.24 H new ATOM 0 HB2 ARG A 44 -9.720 -8.651 -3.595 1.00 53.44 H new ATOM 0 HB3 ARG A 44 -9.260 -8.204 -5.226 1.00 53.44 H new ATOM 0 HG2 ARG A 44 -11.693 -6.921 -4.001 1.00 1.21 H new ATOM 0 HG3 ARG A 44 -10.104 -6.385 -3.492 1.00 1.21 H new ATOM 0 HD2 ARG A 44 -10.853 -6.587 -6.426 1.00 51.33 H new ATOM 0 HD3 ARG A 44 -11.214 -5.155 -5.481 1.00 51.33 H new ATOM 0 HE ARG A 44 -8.517 -5.574 -4.994 1.00 74.11 H new ATOM 0 HH11 ARG A 44 -10.531 -5.249 -7.875 1.00 41.10 H new ATOM 0 HH12 ARG A 44 -9.233 -4.540 -8.842 1.00 41.10 H new ATOM 0 HH21 ARG A 44 -6.856 -4.663 -6.242 1.00 1.42 H new ATOM 0 HH22 ARG A 44 -7.162 -4.209 -7.922 1.00 1.42 H new ATOM 669 N LEU A 45 -10.003 -11.298 -4.512 1.00 0.03 N ATOM 670 CA LEU A 45 -9.331 -12.568 -4.765 1.00 13.01 C ATOM 671 C LEU A 45 -10.246 -13.527 -5.520 1.00 52.21 C ATOM 672 O LEU A 45 -9.868 -14.077 -6.555 1.00 21.51 O ATOM 673 CB LEU A 45 -8.885 -13.203 -3.447 1.00 3.12 C ATOM 674 CG LEU A 45 -8.538 -14.691 -3.502 1.00 63.13 C ATOM 675 CD1 LEU A 45 -7.447 -14.947 -4.531 1.00 1.13 C ATOM 676 CD2 LEU A 45 -8.108 -15.190 -2.131 1.00 4.14 C ATOM 0 H LEU A 45 -10.088 -11.055 -3.525 1.00 0.03 H new ATOM 0 HA LEU A 45 -8.454 -12.370 -5.381 1.00 13.01 H new ATOM 0 HB2 LEU A 45 -8.013 -12.660 -3.082 1.00 3.12 H new ATOM 0 HB3 LEU A 45 -9.678 -13.062 -2.713 1.00 3.12 H new ATOM 0 HG LEU A 45 -9.430 -15.241 -3.803 1.00 63.13 H new ATOM 0 HD11 LEU A 45 -7.213 -16.011 -4.556 1.00 1.13 H new ATOM 0 HD12 LEU A 45 -7.792 -14.628 -5.514 1.00 1.13 H new ATOM 0 HD13 LEU A 45 -6.553 -14.385 -4.261 1.00 1.13 H new ATOM 0 HD21 LEU A 45 -7.865 -16.251 -2.190 1.00 4.14 H new ATOM 0 HD22 LEU A 45 -7.230 -14.634 -1.800 1.00 4.14 H new ATOM 0 HD23 LEU A 45 -8.920 -15.043 -1.419 1.00 4.14 H new ATOM 688 N LEU A 46 -11.452 -13.720 -4.998 1.00 31.45 N ATOM 689 CA LEU A 46 -12.423 -14.611 -5.623 1.00 71.25 C ATOM 690 C LEU A 46 -12.720 -14.174 -7.054 1.00 55.51 C ATOM 691 O LEU A 46 -13.164 -14.973 -7.879 1.00 10.52 O ATOM 692 CB LEU A 46 -13.717 -14.641 -4.808 1.00 21.31 C ATOM 693 CG LEU A 46 -13.635 -15.329 -3.445 1.00 11.14 C ATOM 694 CD1 LEU A 46 -14.992 -15.314 -2.757 1.00 64.52 C ATOM 695 CD2 LEU A 46 -13.127 -16.755 -3.596 1.00 73.44 C ATOM 0 H LEU A 46 -11.781 -13.271 -4.143 1.00 31.45 H new ATOM 0 HA LEU A 46 -11.995 -15.613 -5.650 1.00 71.25 H new ATOM 0 HB2 LEU A 46 -14.051 -13.615 -4.655 1.00 21.31 H new ATOM 0 HB3 LEU A 46 -14.484 -15.141 -5.400 1.00 21.31 H new ATOM 0 HG LEU A 46 -12.929 -14.778 -2.824 1.00 11.14 H new ATOM 0 HD11 LEU A 46 -14.914 -15.808 -1.788 1.00 64.52 H new ATOM 0 HD12 LEU A 46 -15.316 -14.283 -2.614 1.00 64.52 H new ATOM 0 HD13 LEU A 46 -15.719 -15.840 -3.375 1.00 64.52 H new ATOM 0 HD21 LEU A 46 -13.075 -17.229 -2.616 1.00 73.44 H new ATOM 0 HD22 LEU A 46 -13.807 -17.318 -4.235 1.00 73.44 H new ATOM 0 HD23 LEU A 46 -12.134 -16.742 -4.045 1.00 73.44 H new ATOM 707 N SER A 47 -12.471 -12.900 -7.342 1.00 31.02 N ATOM 708 CA SER A 47 -12.714 -12.355 -8.673 1.00 24.44 C ATOM 709 C SER A 47 -11.665 -12.853 -9.663 1.00 22.04 C ATOM 710 O SER A 47 -11.986 -13.214 -10.795 1.00 31.43 O ATOM 711 CB SER A 47 -12.706 -10.826 -8.630 1.00 31.10 C ATOM 712 OG SER A 47 -13.993 -10.302 -8.909 1.00 44.24 O ATOM 0 H SER A 47 -12.101 -12.226 -6.672 1.00 31.02 H new ATOM 0 HA SER A 47 -13.694 -12.697 -9.006 1.00 24.44 H new ATOM 0 HB2 SER A 47 -12.377 -10.488 -7.647 1.00 31.10 H new ATOM 0 HB3 SER A 47 -11.988 -10.442 -9.355 1.00 31.10 H new ATOM 0 HG SER A 47 -13.962 -9.323 -8.874 1.00 44.24 H new ATOM 718 N ARG A 48 -10.409 -12.868 -9.227 1.00 33.41 N ATOM 719 CA ARG A 48 -9.312 -13.320 -10.074 1.00 71.11 C ATOM 720 C ARG A 48 -9.411 -14.820 -10.339 1.00 15.52 C ATOM 721 O ARG A 48 -9.364 -15.263 -11.486 1.00 44.44 O ATOM 722 CB ARG A 48 -7.968 -12.995 -9.421 1.00 3.34 C ATOM 723 CG ARG A 48 -7.902 -11.598 -8.825 1.00 52.32 C ATOM 724 CD ARG A 48 -8.257 -10.536 -9.855 1.00 22.23 C ATOM 725 NE ARG A 48 -7.314 -10.519 -10.970 1.00 1.31 N ATOM 726 CZ ARG A 48 -6.082 -10.031 -10.883 1.00 5.33 C ATOM 727 NH1 ARG A 48 -5.645 -9.523 -9.738 1.00 74.21 N ATOM 728 NH2 ARG A 48 -5.282 -10.050 -11.942 1.00 34.22 N ATOM 0 H ARG A 48 -10.126 -12.572 -8.293 1.00 33.41 H new ATOM 0 HA ARG A 48 -9.382 -12.795 -11.027 1.00 71.11 H new ATOM 0 HB2 ARG A 48 -7.769 -13.725 -8.637 1.00 3.34 H new ATOM 0 HB3 ARG A 48 -7.178 -13.102 -10.164 1.00 3.34 H new ATOM 0 HG2 ARG A 48 -8.586 -11.529 -7.979 1.00 52.32 H new ATOM 0 HG3 ARG A 48 -6.899 -11.412 -8.440 1.00 52.32 H new ATOM 0 HD2 ARG A 48 -9.263 -10.720 -10.233 1.00 22.23 H new ATOM 0 HD3 ARG A 48 -8.270 -9.557 -9.376 1.00 22.23 H new ATOM 0 HE ARG A 48 -7.618 -10.903 -11.865 1.00 1.31 H new ATOM 0 HH11 ARG A 48 -6.256 -9.507 -8.921 1.00 74.21 H new ATOM 0 HH12 ARG A 48 -4.698 -9.149 -9.674 1.00 74.21 H new ATOM 0 HH21 ARG A 48 -5.613 -10.440 -12.824 1.00 34.22 H new ATOM 0 HH22 ARG A 48 -4.336 -9.675 -11.873 1.00 34.22 H new ATOM 742 N VAL A 49 -9.550 -15.596 -9.269 1.00 25.30 N ATOM 743 CA VAL A 49 -9.656 -17.046 -9.385 1.00 51.23 C ATOM 744 C VAL A 49 -10.698 -17.438 -10.427 1.00 30.43 C ATOM 745 O VAL A 49 -10.565 -18.462 -11.097 1.00 14.20 O ATOM 746 CB VAL A 49 -10.026 -17.691 -8.037 1.00 23.44 C ATOM 747 CG1 VAL A 49 -10.107 -19.204 -8.173 1.00 72.10 C ATOM 748 CG2 VAL A 49 -9.020 -17.298 -6.965 1.00 14.12 C ATOM 0 H VAL A 49 -9.592 -15.245 -8.312 1.00 25.30 H new ATOM 0 HA VAL A 49 -8.678 -17.412 -9.697 1.00 51.23 H new ATOM 0 HB VAL A 49 -11.007 -17.324 -7.736 1.00 23.44 H new ATOM 0 HG11 VAL A 49 -10.370 -19.642 -7.210 1.00 72.10 H new ATOM 0 HG12 VAL A 49 -10.868 -19.463 -8.909 1.00 72.10 H new ATOM 0 HG13 VAL A 49 -9.142 -19.592 -8.497 1.00 72.10 H new ATOM 0 HG21 VAL A 49 -9.297 -17.763 -6.019 1.00 14.12 H new ATOM 0 HG22 VAL A 49 -8.026 -17.635 -7.258 1.00 14.12 H new ATOM 0 HG23 VAL A 49 -9.016 -16.214 -6.850 1.00 14.12 H new ATOM 758 N ALA A 50 -11.735 -16.617 -10.557 1.00 62.31 N ATOM 759 CA ALA A 50 -12.799 -16.877 -11.519 1.00 22.11 C ATOM 760 C ALA A 50 -12.303 -16.694 -12.949 1.00 64.02 C ATOM 761 O ALA A 50 -12.462 -17.579 -13.790 1.00 53.45 O ATOM 762 CB ALA A 50 -13.987 -15.966 -11.250 1.00 35.31 C ATOM 0 H ALA A 50 -11.861 -15.766 -10.008 1.00 62.31 H new ATOM 0 HA ALA A 50 -13.116 -17.913 -11.402 1.00 22.11 H new ATOM 0 HB1 ALA A 50 -14.774 -16.171 -11.976 1.00 35.31 H new ATOM 0 HB2 ALA A 50 -14.365 -16.148 -10.244 1.00 35.31 H new ATOM 0 HB3 ALA A 50 -13.675 -14.925 -11.337 1.00 35.31 H new ATOM 768 N VAL A 51 -11.701 -15.540 -13.219 1.00 4.13 N ATOM 769 CA VAL A 51 -11.181 -15.241 -14.548 1.00 3.13 C ATOM 770 C VAL A 51 -9.953 -16.089 -14.861 1.00 73.12 C ATOM 771 O VAL A 51 -9.612 -16.300 -16.026 1.00 22.13 O ATOM 772 CB VAL A 51 -10.811 -13.752 -14.684 1.00 4.04 C ATOM 773 CG1 VAL A 51 -9.856 -13.335 -13.575 1.00 33.42 C ATOM 774 CG2 VAL A 51 -10.204 -13.477 -16.051 1.00 52.14 C ATOM 0 H VAL A 51 -11.561 -14.797 -12.535 1.00 4.13 H new ATOM 0 HA VAL A 51 -11.973 -15.477 -15.258 1.00 3.13 H new ATOM 0 HB VAL A 51 -11.721 -13.160 -14.589 1.00 4.04 H new ATOM 0 HG11 VAL A 51 -9.606 -12.280 -13.688 1.00 33.42 H new ATOM 0 HG12 VAL A 51 -10.331 -13.494 -12.607 1.00 33.42 H new ATOM 0 HG13 VAL A 51 -8.946 -13.932 -13.635 1.00 33.42 H new ATOM 0 HG21 VAL A 51 -9.949 -12.420 -16.130 1.00 52.14 H new ATOM 0 HG22 VAL A 51 -9.304 -14.078 -16.177 1.00 52.14 H new ATOM 0 HG23 VAL A 51 -10.924 -13.735 -16.827 1.00 52.14 H new ATOM 784 N LEU A 52 -9.293 -16.574 -13.815 1.00 54.03 N ATOM 785 CA LEU A 52 -8.103 -17.401 -13.978 1.00 43.02 C ATOM 786 C LEU A 52 -8.480 -18.864 -14.186 1.00 72.15 C ATOM 787 O LEU A 52 -7.792 -19.599 -14.896 1.00 13.24 O ATOM 788 CB LEU A 52 -7.193 -17.266 -12.756 1.00 21.21 C ATOM 789 CG LEU A 52 -6.593 -15.880 -12.515 1.00 34.31 C ATOM 790 CD1 LEU A 52 -5.965 -15.804 -11.132 1.00 51.41 C ATOM 791 CD2 LEU A 52 -5.567 -15.549 -13.588 1.00 62.43 C ATOM 0 H LEU A 52 -9.562 -16.409 -12.845 1.00 54.03 H new ATOM 0 HA LEU A 52 -7.568 -17.054 -14.862 1.00 43.02 H new ATOM 0 HB2 LEU A 52 -7.762 -17.552 -11.871 1.00 21.21 H new ATOM 0 HB3 LEU A 52 -6.376 -17.981 -12.855 1.00 21.21 H new ATOM 0 HG LEU A 52 -7.395 -15.143 -12.568 1.00 34.31 H new ATOM 0 HD11 LEU A 52 -5.543 -14.811 -10.978 1.00 51.41 H new ATOM 0 HD12 LEU A 52 -6.726 -15.996 -10.376 1.00 51.41 H new ATOM 0 HD13 LEU A 52 -5.175 -16.550 -11.050 1.00 51.41 H new ATOM 0 HD21 LEU A 52 -5.151 -14.559 -13.400 1.00 62.43 H new ATOM 0 HD22 LEU A 52 -4.767 -16.289 -13.567 1.00 62.43 H new ATOM 0 HD23 LEU A 52 -6.047 -15.561 -14.567 1.00 62.43 H new ATOM 803 N PHE A 53 -9.579 -19.280 -13.566 1.00 21.55 N ATOM 804 CA PHE A 53 -10.049 -20.656 -13.684 1.00 12.33 C ATOM 805 C PHE A 53 -11.479 -20.698 -14.214 1.00 14.23 C ATOM 806 O PHE A 53 -12.428 -21.004 -13.491 1.00 24.23 O ATOM 807 CB PHE A 53 -9.975 -21.361 -12.328 1.00 1.22 C ATOM 808 CG PHE A 53 -8.590 -21.398 -11.747 1.00 33.43 C ATOM 809 CD1 PHE A 53 -7.488 -21.595 -12.562 1.00 44.03 C ATOM 810 CD2 PHE A 53 -8.391 -21.237 -10.385 1.00 55.41 C ATOM 811 CE1 PHE A 53 -6.213 -21.631 -12.030 1.00 3.20 C ATOM 812 CE2 PHE A 53 -7.119 -21.271 -9.847 1.00 63.01 C ATOM 813 CZ PHE A 53 -6.028 -21.467 -10.671 1.00 21.30 C ATOM 0 H PHE A 53 -10.161 -18.685 -12.977 1.00 21.55 H new ATOM 0 HA PHE A 53 -9.402 -21.175 -14.391 1.00 12.33 H new ATOM 0 HB2 PHE A 53 -10.641 -20.856 -11.628 1.00 1.22 H new ATOM 0 HB3 PHE A 53 -10.342 -22.382 -12.437 1.00 1.22 H new ATOM 0 HD1 PHE A 53 -7.626 -21.722 -13.626 1.00 44.03 H new ATOM 0 HD2 PHE A 53 -9.241 -21.083 -9.736 1.00 55.41 H new ATOM 0 HE1 PHE A 53 -5.362 -21.787 -12.676 1.00 3.20 H new ATOM 0 HE2 PHE A 53 -6.978 -21.145 -8.784 1.00 63.01 H new ATOM 0 HZ PHE A 53 -5.032 -21.492 -10.254 1.00 21.30 H new ATOM 823 N PRO A 54 -11.640 -20.382 -15.507 1.00 41.14 N ATOM 824 CA PRO A 54 -12.950 -20.376 -16.164 1.00 55.11 C ATOM 825 C PRO A 54 -13.520 -21.780 -16.335 1.00 65.22 C ATOM 826 O PRO A 54 -14.679 -21.949 -16.712 1.00 42.41 O ATOM 827 CB PRO A 54 -12.660 -19.746 -17.529 1.00 35.51 C ATOM 828 CG PRO A 54 -11.219 -20.028 -17.777 1.00 61.45 C ATOM 829 CD PRO A 54 -10.554 -20.007 -16.429 1.00 12.32 C ATOM 0 HA PRO A 54 -13.696 -19.836 -15.580 1.00 55.11 H new ATOM 0 HB2 PRO A 54 -13.288 -20.180 -18.307 1.00 35.51 H new ATOM 0 HB3 PRO A 54 -12.858 -18.674 -17.521 1.00 35.51 H new ATOM 0 HG2 PRO A 54 -11.089 -20.996 -18.261 1.00 61.45 H new ATOM 0 HG3 PRO A 54 -10.783 -19.279 -18.439 1.00 61.45 H new ATOM 0 HD2 PRO A 54 -9.724 -20.711 -16.380 1.00 12.32 H new ATOM 0 HD3 PRO A 54 -10.151 -19.022 -16.195 1.00 12.32 H new ATOM 837 N ALA A 55 -12.696 -22.785 -16.055 1.00 74.44 N ATOM 838 CA ALA A 55 -13.119 -24.175 -16.176 1.00 71.11 C ATOM 839 C ALA A 55 -14.362 -24.446 -15.335 1.00 50.11 C ATOM 840 O ALA A 55 -15.134 -25.361 -15.626 1.00 50.43 O ATOM 841 CB ALA A 55 -11.989 -25.108 -15.767 1.00 0.03 C ATOM 0 H ALA A 55 -11.733 -22.663 -15.743 1.00 74.44 H new ATOM 0 HA ALA A 55 -13.371 -24.363 -17.220 1.00 71.11 H new ATOM 0 HB1 ALA A 55 -12.319 -26.143 -15.862 1.00 0.03 H new ATOM 0 HB2 ALA A 55 -11.127 -24.941 -16.413 1.00 0.03 H new ATOM 0 HB3 ALA A 55 -11.710 -24.910 -14.732 1.00 0.03 H new ATOM 847 N LEU A 56 -14.550 -23.646 -14.291 1.00 23.50 N ATOM 848 CA LEU A 56 -15.700 -23.800 -13.406 1.00 65.34 C ATOM 849 C LEU A 56 -16.553 -22.536 -13.397 1.00 43.04 C ATOM 850 O LEU A 56 -16.289 -21.592 -14.143 1.00 30.15 O ATOM 851 CB LEU A 56 -15.235 -24.126 -11.986 1.00 30.12 C ATOM 852 CG LEU A 56 -14.229 -23.154 -11.369 1.00 50.41 C ATOM 853 CD1 LEU A 56 -14.898 -22.297 -10.306 1.00 11.52 C ATOM 854 CD2 LEU A 56 -13.047 -23.911 -10.781 1.00 13.43 C ATOM 0 H LEU A 56 -13.921 -22.884 -14.036 1.00 23.50 H new ATOM 0 HA LEU A 56 -16.308 -24.623 -13.780 1.00 65.34 H new ATOM 0 HB2 LEU A 56 -16.111 -24.169 -11.339 1.00 30.12 H new ATOM 0 HB3 LEU A 56 -14.792 -25.122 -11.990 1.00 30.12 H new ATOM 0 HG LEU A 56 -13.858 -22.497 -12.156 1.00 50.41 H new ATOM 0 HD11 LEU A 56 -14.167 -21.611 -9.878 1.00 11.52 H new ATOM 0 HD12 LEU A 56 -15.710 -21.726 -10.757 1.00 11.52 H new ATOM 0 HD13 LEU A 56 -15.298 -22.938 -9.520 1.00 11.52 H new ATOM 0 HD21 LEU A 56 -12.341 -23.203 -10.346 1.00 13.43 H new ATOM 0 HD22 LEU A 56 -13.400 -24.593 -10.007 1.00 13.43 H new ATOM 0 HD23 LEU A 56 -12.552 -24.480 -11.568 1.00 13.43 H new ATOM 866 N ARG A 57 -17.575 -22.524 -12.548 1.00 4.01 N ATOM 867 CA ARG A 57 -18.466 -21.375 -12.441 1.00 22.10 C ATOM 868 C ARG A 57 -17.689 -20.118 -12.063 1.00 3.41 C ATOM 869 O ARG A 57 -16.592 -20.180 -11.508 1.00 5.52 O ATOM 870 CB ARG A 57 -19.557 -21.644 -11.404 1.00 34.35 C ATOM 871 CG ARG A 57 -20.692 -22.512 -11.924 1.00 42.30 C ATOM 872 CD ARG A 57 -21.625 -22.941 -10.802 1.00 44.04 C ATOM 873 NE ARG A 57 -22.544 -23.993 -11.228 1.00 21.14 N ATOM 874 CZ ARG A 57 -23.582 -23.782 -12.029 1.00 33.12 C ATOM 875 NH1 ARG A 57 -23.832 -22.564 -12.490 1.00 24.24 N ATOM 876 NH2 ARG A 57 -24.373 -24.791 -12.371 1.00 54.11 N ATOM 0 H ARG A 57 -17.807 -23.297 -11.924 1.00 4.01 H new ATOM 0 HA ARG A 57 -18.931 -21.215 -13.414 1.00 22.10 H new ATOM 0 HB2 ARG A 57 -19.110 -22.128 -10.536 1.00 34.35 H new ATOM 0 HB3 ARG A 57 -19.965 -20.692 -11.064 1.00 34.35 H new ATOM 0 HG2 ARG A 57 -21.256 -21.962 -12.677 1.00 42.30 H new ATOM 0 HG3 ARG A 57 -20.281 -23.395 -12.414 1.00 42.30 H new ATOM 0 HD2 ARG A 57 -21.036 -23.295 -9.956 1.00 44.04 H new ATOM 0 HD3 ARG A 57 -22.196 -22.079 -10.455 1.00 44.04 H new ATOM 0 HE ARG A 57 -22.380 -24.942 -10.892 1.00 21.14 H new ATOM 0 HH11 ARG A 57 -23.226 -21.786 -12.230 1.00 24.24 H new ATOM 0 HH12 ARG A 57 -24.630 -22.405 -13.105 1.00 24.24 H new ATOM 0 HH21 ARG A 57 -24.184 -25.729 -12.019 1.00 54.11 H new ATOM 0 HH22 ARG A 57 -25.170 -24.628 -12.986 1.00 54.11 H new ATOM 890 N PRO A 58 -18.269 -18.948 -12.370 1.00 72.13 N ATOM 891 CA PRO A 58 -17.649 -17.654 -12.072 1.00 1.20 C ATOM 892 C PRO A 58 -17.618 -17.357 -10.577 1.00 25.04 C ATOM 893 O PRO A 58 -16.582 -16.978 -10.031 1.00 31.44 O ATOM 894 CB PRO A 58 -18.551 -16.652 -12.797 1.00 74.41 C ATOM 895 CG PRO A 58 -19.874 -17.332 -12.890 1.00 22.32 C ATOM 896 CD PRO A 58 -19.576 -18.799 -13.032 1.00 71.34 C ATOM 0 HA PRO A 58 -16.607 -17.619 -12.391 1.00 1.20 H new ATOM 0 HB2 PRO A 58 -18.625 -15.715 -12.245 1.00 74.41 H new ATOM 0 HB3 PRO A 58 -18.160 -16.410 -13.785 1.00 74.41 H new ATOM 0 HG2 PRO A 58 -20.475 -17.140 -12.001 1.00 22.32 H new ATOM 0 HG3 PRO A 58 -20.442 -16.965 -13.744 1.00 22.32 H new ATOM 0 HD2 PRO A 58 -20.340 -19.412 -12.555 1.00 71.34 H new ATOM 0 HD3 PRO A 58 -19.533 -19.101 -14.079 1.00 71.34 H new ATOM 904 N GLY A 59 -18.760 -17.532 -9.919 1.00 22.11 N ATOM 905 CA GLY A 59 -18.841 -17.279 -8.492 1.00 43.42 C ATOM 906 C GLY A 59 -19.355 -18.476 -7.719 1.00 20.42 C ATOM 907 O GLY A 59 -19.776 -18.348 -6.570 1.00 21.31 O ATOM 0 H GLY A 59 -19.631 -17.845 -10.349 1.00 22.11 H new ATOM 0 HA2 GLY A 59 -17.854 -17.006 -8.118 1.00 43.42 H new ATOM 0 HA3 GLY A 59 -19.497 -16.427 -8.314 1.00 43.42 H new ATOM 911 N GLY A 60 -19.323 -19.646 -8.351 1.00 42.30 N ATOM 912 CA GLY A 60 -19.794 -20.854 -7.700 1.00 61.22 C ATOM 913 C GLY A 60 -18.657 -21.745 -7.239 1.00 15.14 C ATOM 914 O GLY A 60 -18.594 -22.920 -7.600 1.00 31.21 O ATOM 0 H GLY A 60 -18.979 -19.778 -9.302 1.00 42.30 H new ATOM 0 HA2 GLY A 60 -20.411 -20.584 -6.843 1.00 61.22 H new ATOM 0 HA3 GLY A 60 -20.431 -21.410 -8.389 1.00 61.22 H new ATOM 918 N PHE A 61 -17.756 -21.185 -6.439 1.00 41.41 N ATOM 919 CA PHE A 61 -16.614 -21.935 -5.930 1.00 33.44 C ATOM 920 C PHE A 61 -16.201 -21.428 -4.551 1.00 44.55 C ATOM 921 O PHE A 61 -16.491 -20.289 -4.186 1.00 42.21 O ATOM 922 CB PHE A 61 -15.435 -21.832 -6.899 1.00 51.30 C ATOM 923 CG PHE A 61 -14.722 -20.511 -6.837 1.00 14.00 C ATOM 924 CD1 PHE A 61 -15.213 -19.411 -7.522 1.00 71.35 C ATOM 925 CD2 PHE A 61 -13.562 -20.369 -6.093 1.00 14.02 C ATOM 926 CE1 PHE A 61 -14.559 -18.195 -7.468 1.00 23.24 C ATOM 927 CE2 PHE A 61 -12.904 -19.155 -6.034 1.00 21.12 C ATOM 928 CZ PHE A 61 -13.404 -18.067 -6.721 1.00 45.54 C ATOM 0 H PHE A 61 -17.795 -20.214 -6.129 1.00 41.41 H new ATOM 0 HA PHE A 61 -16.909 -22.980 -5.840 1.00 33.44 H new ATOM 0 HB2 PHE A 61 -14.725 -22.630 -6.681 1.00 51.30 H new ATOM 0 HB3 PHE A 61 -15.795 -21.994 -7.915 1.00 51.30 H new ATOM 0 HD1 PHE A 61 -16.117 -19.505 -8.105 1.00 71.35 H new ATOM 0 HD2 PHE A 61 -13.167 -21.217 -5.553 1.00 14.02 H new ATOM 0 HE1 PHE A 61 -14.950 -17.346 -8.009 1.00 23.24 H new ATOM 0 HE2 PHE A 61 -12.000 -19.058 -5.451 1.00 21.12 H new ATOM 0 HZ PHE A 61 -12.893 -17.117 -6.675 1.00 45.54 H new ATOM 938 N GLN A 62 -15.522 -22.281 -3.792 1.00 63.31 N ATOM 939 CA GLN A 62 -15.069 -21.920 -2.454 1.00 13.31 C ATOM 940 C GLN A 62 -13.567 -22.142 -2.308 1.00 75.24 C ATOM 941 O GLN A 62 -13.052 -23.207 -2.647 1.00 73.23 O ATOM 942 CB GLN A 62 -15.822 -22.734 -1.401 1.00 20.54 C ATOM 943 CG GLN A 62 -16.947 -21.966 -0.727 1.00 11.13 C ATOM 944 CD GLN A 62 -16.483 -20.649 -0.137 1.00 2.21 C ATOM 945 OE1 GLN A 62 -17.143 -19.620 -0.288 1.00 60.52 O ATOM 946 NE2 GLN A 62 -15.341 -20.673 0.540 1.00 21.05 N ATOM 0 H GLN A 62 -15.273 -23.227 -4.081 1.00 63.31 H new ATOM 0 HA GLN A 62 -15.277 -20.861 -2.301 1.00 13.31 H new ATOM 0 HB2 GLN A 62 -16.234 -23.627 -1.871 1.00 20.54 H new ATOM 0 HB3 GLN A 62 -15.117 -23.070 -0.641 1.00 20.54 H new ATOM 0 HG2 GLN A 62 -17.738 -21.776 -1.453 1.00 11.13 H new ATOM 0 HG3 GLN A 62 -17.380 -22.581 0.062 1.00 11.13 H new ATOM 0 HE21 GLN A 62 -14.826 -21.548 0.641 1.00 21.05 H new ATOM 0 HE22 GLN A 62 -14.979 -19.817 0.959 1.00 21.05 H new ATOM 955 N ALA A 63 -12.871 -21.130 -1.803 1.00 4.04 N ATOM 956 CA ALA A 63 -11.428 -21.216 -1.611 1.00 12.11 C ATOM 957 C ALA A 63 -11.089 -21.676 -0.197 1.00 62.33 C ATOM 958 O ALA A 63 -11.535 -21.081 0.784 1.00 24.12 O ATOM 959 CB ALA A 63 -10.776 -19.872 -1.901 1.00 72.11 C ATOM 0 H ALA A 63 -13.282 -20.241 -1.519 1.00 4.04 H new ATOM 0 HA ALA A 63 -11.037 -21.956 -2.310 1.00 12.11 H new ATOM 0 HB1 ALA A 63 -9.699 -19.951 -1.754 1.00 72.11 H new ATOM 0 HB2 ALA A 63 -10.981 -19.583 -2.932 1.00 72.11 H new ATOM 0 HB3 ALA A 63 -11.180 -19.118 -1.226 1.00 72.11 H new ATOM 965 N HIS A 64 -10.298 -22.740 -0.100 1.00 64.23 N ATOM 966 CA HIS A 64 -9.899 -23.281 1.194 1.00 4.44 C ATOM 967 C HIS A 64 -8.427 -22.989 1.475 1.00 74.44 C ATOM 968 O HIS A 64 -7.568 -23.202 0.619 1.00 73.34 O ATOM 969 CB HIS A 64 -10.150 -24.788 1.241 1.00 70.11 C ATOM 970 CG HIS A 64 -11.569 -25.168 0.950 1.00 52.23 C ATOM 971 ND1 HIS A 64 -12.145 -25.029 -0.296 1.00 31.45 N ATOM 972 CD2 HIS A 64 -12.529 -25.686 1.751 1.00 13.20 C ATOM 973 CE1 HIS A 64 -13.398 -25.444 -0.247 1.00 74.02 C ATOM 974 NE2 HIS A 64 -13.656 -25.848 0.984 1.00 55.04 N ATOM 0 H HIS A 64 -9.921 -23.244 -0.902 1.00 64.23 H new ATOM 0 HA HIS A 64 -10.501 -22.797 1.963 1.00 4.44 H new ATOM 0 HB2 HIS A 64 -9.496 -25.280 0.521 1.00 70.11 H new ATOM 0 HB3 HIS A 64 -9.877 -25.163 2.227 1.00 70.11 H new ATOM 0 HD2 HIS A 64 -12.427 -25.927 2.799 1.00 13.20 H new ATOM 0 HE1 HIS A 64 -14.094 -25.452 -1.073 1.00 74.02 H new ATOM 0 HE2 HIS A 64 -14.548 -26.220 1.311 1.00 55.04 H new ATOM 982 N TYR A 65 -8.145 -22.501 2.677 1.00 23.31 N ATOM 983 CA TYR A 65 -6.778 -22.178 3.069 1.00 41.23 C ATOM 984 C TYR A 65 -6.315 -23.068 4.218 1.00 33.10 C ATOM 985 O TYR A 65 -7.091 -23.393 5.117 1.00 20.31 O ATOM 986 CB TYR A 65 -6.676 -20.707 3.476 1.00 53.24 C ATOM 987 CG TYR A 65 -7.248 -20.416 4.845 1.00 72.32 C ATOM 988 CD1 TYR A 65 -8.622 -20.354 5.046 1.00 24.14 C ATOM 989 CD2 TYR A 65 -6.416 -20.203 5.936 1.00 24.24 C ATOM 990 CE1 TYR A 65 -9.149 -20.088 6.295 1.00 22.34 C ATOM 991 CE2 TYR A 65 -6.934 -19.938 7.189 1.00 21.41 C ATOM 992 CZ TYR A 65 -8.301 -19.882 7.364 1.00 50.34 C ATOM 993 OH TYR A 65 -8.821 -19.617 8.610 1.00 53.33 O ATOM 0 H TYR A 65 -8.844 -22.320 3.397 1.00 23.31 H new ATOM 0 HA TYR A 65 -6.130 -22.357 2.211 1.00 41.23 H new ATOM 0 HB2 TYR A 65 -5.629 -20.406 3.458 1.00 53.24 H new ATOM 0 HB3 TYR A 65 -7.196 -20.097 2.737 1.00 53.24 H new ATOM 0 HD1 TYR A 65 -9.289 -20.516 4.212 1.00 24.14 H new ATOM 0 HD2 TYR A 65 -5.345 -20.245 5.803 1.00 24.24 H new ATOM 0 HE1 TYR A 65 -10.219 -20.042 6.434 1.00 22.34 H new ATOM 0 HE2 TYR A 65 -6.272 -19.776 8.027 1.00 21.41 H new ATOM 0 HH TYR A 65 -8.090 -19.498 9.251 1.00 53.33 H new ATOM 1003 N ARG A 66 -5.045 -23.458 4.181 1.00 34.34 N ATOM 1004 CA ARG A 66 -4.478 -24.311 5.219 1.00 60.34 C ATOM 1005 C ARG A 66 -4.194 -23.511 6.486 1.00 15.52 C ATOM 1006 O ARG A 66 -3.603 -22.433 6.432 1.00 2.11 O ATOM 1007 CB ARG A 66 -3.190 -24.969 4.720 1.00 73.44 C ATOM 1008 CG ARG A 66 -2.025 -24.003 4.585 1.00 21.04 C ATOM 1009 CD ARG A 66 -1.128 -24.038 5.813 1.00 11.30 C ATOM 1010 NE ARG A 66 -0.301 -22.839 5.921 1.00 41.14 N ATOM 1011 CZ ARG A 66 0.754 -22.743 6.723 1.00 73.43 C ATOM 1012 NH1 ARG A 66 1.108 -23.770 7.483 1.00 72.31 N ATOM 1013 NH2 ARG A 66 1.457 -21.619 6.765 1.00 52.20 N ATOM 0 H ARG A 66 -4.390 -23.197 3.444 1.00 34.34 H new ATOM 0 HA ARG A 66 -5.207 -25.086 5.455 1.00 60.34 H new ATOM 0 HB2 ARG A 66 -2.911 -25.768 5.407 1.00 73.44 H new ATOM 0 HB3 ARG A 66 -3.380 -25.433 3.752 1.00 73.44 H new ATOM 0 HG2 ARG A 66 -1.442 -24.256 3.700 1.00 21.04 H new ATOM 0 HG3 ARG A 66 -2.404 -22.992 4.439 1.00 21.04 H new ATOM 0 HD2 ARG A 66 -1.742 -24.136 6.708 1.00 11.30 H new ATOM 0 HD3 ARG A 66 -0.486 -24.918 5.768 1.00 11.30 H new ATOM 0 HE ARG A 66 -0.547 -22.031 5.349 1.00 41.14 H new ATOM 0 HH11 ARG A 66 0.570 -24.636 7.453 1.00 72.31 H new ATOM 0 HH12 ARG A 66 1.918 -23.694 8.098 1.00 72.31 H new ATOM 0 HH21 ARG A 66 1.188 -20.827 6.181 1.00 52.20 H new ATOM 0 HH22 ARG A 66 2.267 -21.547 7.381 1.00 52.20 H new ATOM 1027 N ALA A 67 -4.621 -24.045 7.626 1.00 74.24 N ATOM 1028 CA ALA A 67 -4.412 -23.382 8.906 1.00 13.44 C ATOM 1029 C ALA A 67 -3.308 -24.066 9.705 1.00 12.33 C ATOM 1030 O ALA A 67 -2.675 -25.006 9.226 1.00 1.42 O ATOM 1031 CB ALA A 67 -5.707 -23.357 9.706 1.00 42.25 C ATOM 0 H ALA A 67 -5.114 -24.936 7.688 1.00 74.24 H new ATOM 0 HA ALA A 67 -4.100 -22.356 8.709 1.00 13.44 H new ATOM 0 HB1 ALA A 67 -5.536 -22.859 10.660 1.00 42.25 H new ATOM 0 HB2 ALA A 67 -6.470 -22.816 9.146 1.00 42.25 H new ATOM 0 HB3 ALA A 67 -6.044 -24.378 9.885 1.00 42.25 H new ATOM 1037 N GLU A 68 -3.083 -23.587 10.925 1.00 41.01 N ATOM 1038 CA GLU A 68 -2.053 -24.153 11.789 1.00 54.22 C ATOM 1039 C GLU A 68 -2.225 -25.663 11.922 1.00 20.23 C ATOM 1040 O GLU A 68 -1.252 -26.416 11.875 1.00 42.35 O ATOM 1041 CB GLU A 68 -2.100 -23.499 13.171 1.00 15.13 C ATOM 1042 CG GLU A 68 -3.478 -23.528 13.812 1.00 51.43 C ATOM 1043 CD GLU A 68 -3.566 -22.652 15.047 1.00 62.23 C ATOM 1044 OE1 GLU A 68 -3.436 -21.418 14.909 1.00 43.24 O ATOM 1045 OE2 GLU A 68 -3.764 -23.201 16.151 1.00 41.13 O ATOM 0 H GLU A 68 -3.599 -22.810 11.337 1.00 41.01 H new ATOM 0 HA GLU A 68 -1.083 -23.954 11.334 1.00 54.22 H new ATOM 0 HB2 GLU A 68 -1.392 -24.005 13.828 1.00 15.13 H new ATOM 0 HB3 GLU A 68 -1.770 -22.464 13.085 1.00 15.13 H new ATOM 0 HG2 GLU A 68 -4.220 -23.199 13.084 1.00 51.43 H new ATOM 0 HG3 GLU A 68 -3.728 -24.554 14.081 1.00 51.43 H new ATOM 1052 N ARG A 69 -3.469 -26.099 12.091 1.00 52.25 N ATOM 1053 CA ARG A 69 -3.769 -27.518 12.233 1.00 61.50 C ATOM 1054 C ARG A 69 -3.423 -28.278 10.955 1.00 14.14 C ATOM 1055 O ARG A 69 -3.140 -29.474 10.990 1.00 65.51 O ATOM 1056 CB ARG A 69 -5.247 -27.718 12.574 1.00 40.24 C ATOM 1057 CG ARG A 69 -5.590 -27.384 14.016 1.00 22.43 C ATOM 1058 CD ARG A 69 -6.999 -27.832 14.372 1.00 52.44 C ATOM 1059 NE ARG A 69 -7.250 -27.760 15.809 1.00 71.35 N ATOM 1060 CZ ARG A 69 -8.466 -27.756 16.343 1.00 73.12 C ATOM 1061 NH1 ARG A 69 -9.537 -27.819 15.563 1.00 22.11 N ATOM 1062 NH2 ARG A 69 -8.613 -27.689 17.660 1.00 74.21 N ATOM 0 H ARG A 69 -4.286 -25.489 12.133 1.00 52.25 H new ATOM 0 HA ARG A 69 -3.159 -27.912 13.046 1.00 61.50 H new ATOM 0 HB2 ARG A 69 -5.851 -27.097 11.913 1.00 40.24 H new ATOM 0 HB3 ARG A 69 -5.520 -28.754 12.375 1.00 40.24 H new ATOM 0 HG2 ARG A 69 -4.875 -27.866 14.682 1.00 22.43 H new ATOM 0 HG3 ARG A 69 -5.498 -26.309 14.173 1.00 22.43 H new ATOM 0 HD2 ARG A 69 -7.721 -27.208 13.846 1.00 52.44 H new ATOM 0 HD3 ARG A 69 -7.152 -28.855 14.028 1.00 52.44 H new ATOM 0 HE ARG A 69 -6.448 -27.710 16.437 1.00 71.35 H new ATOM 0 HH11 ARG A 69 -9.428 -27.871 14.550 1.00 22.11 H new ATOM 0 HH12 ARG A 69 -10.470 -27.816 15.976 1.00 22.11 H new ATOM 0 HH21 ARG A 69 -7.792 -27.640 18.263 1.00 74.21 H new ATOM 0 HH22 ARG A 69 -9.547 -27.686 18.069 1.00 74.21 H new ATOM 1076 N GLY A 70 -3.450 -27.573 9.828 1.00 35.22 N ATOM 1077 CA GLY A 70 -3.139 -28.197 8.555 1.00 31.15 C ATOM 1078 C GLY A 70 -4.378 -28.685 7.831 1.00 64.52 C ATOM 1079 O GLY A 70 -4.297 -29.565 6.973 1.00 42.11 O ATOM 0 H GLY A 70 -3.682 -26.581 9.774 1.00 35.22 H new ATOM 0 HA2 GLY A 70 -2.610 -27.483 7.923 1.00 31.15 H new ATOM 0 HA3 GLY A 70 -2.464 -29.037 8.721 1.00 31.15 H new ATOM 1083 N ASP A 71 -5.527 -28.116 8.177 1.00 44.33 N ATOM 1084 CA ASP A 71 -6.788 -28.499 7.553 1.00 12.33 C ATOM 1085 C ASP A 71 -7.265 -27.421 6.584 1.00 25.32 C ATOM 1086 O ASP A 71 -6.772 -26.292 6.603 1.00 61.51 O ATOM 1087 CB ASP A 71 -7.854 -28.749 8.621 1.00 10.03 C ATOM 1088 CG ASP A 71 -7.781 -27.748 9.757 1.00 15.15 C ATOM 1089 OD1 ASP A 71 -7.544 -26.553 9.482 1.00 54.14 O ATOM 1090 OD2 ASP A 71 -7.963 -28.159 10.922 1.00 25.14 O ATOM 0 H ASP A 71 -5.611 -27.388 8.886 1.00 44.33 H new ATOM 0 HA ASP A 71 -6.623 -29.419 6.992 1.00 12.33 H new ATOM 0 HB2 ASP A 71 -8.842 -28.702 8.162 1.00 10.03 H new ATOM 0 HB3 ASP A 71 -7.735 -29.756 9.020 1.00 10.03 H new ATOM 1095 N LEU A 72 -8.224 -27.777 5.738 1.00 54.04 N ATOM 1096 CA LEU A 72 -8.767 -26.841 4.759 1.00 14.23 C ATOM 1097 C LEU A 72 -10.008 -26.141 5.305 1.00 4.24 C ATOM 1098 O LEU A 72 -10.946 -26.789 5.770 1.00 65.12 O ATOM 1099 CB LEU A 72 -9.111 -27.572 3.460 1.00 21.14 C ATOM 1100 CG LEU A 72 -7.968 -27.731 2.457 1.00 51.41 C ATOM 1101 CD1 LEU A 72 -8.430 -28.520 1.242 1.00 52.01 C ATOM 1102 CD2 LEU A 72 -7.433 -26.369 2.039 1.00 41.14 C ATOM 0 H LEU A 72 -8.642 -28.707 5.709 1.00 54.04 H new ATOM 0 HA LEU A 72 -8.007 -26.087 4.554 1.00 14.23 H new ATOM 0 HB2 LEU A 72 -9.486 -28.564 3.713 1.00 21.14 H new ATOM 0 HB3 LEU A 72 -9.926 -27.038 2.971 1.00 21.14 H new ATOM 0 HG LEU A 72 -7.162 -28.284 2.938 1.00 51.41 H new ATOM 0 HD11 LEU A 72 -7.603 -28.623 0.539 1.00 52.01 H new ATOM 0 HD12 LEU A 72 -8.765 -29.509 1.556 1.00 52.01 H new ATOM 0 HD13 LEU A 72 -9.254 -27.995 0.759 1.00 52.01 H new ATOM 0 HD21 LEU A 72 -6.620 -26.501 1.325 1.00 41.14 H new ATOM 0 HD22 LEU A 72 -8.232 -25.791 1.576 1.00 41.14 H new ATOM 0 HD23 LEU A 72 -7.063 -25.839 2.916 1.00 41.14 H new ATOM 1114 N VAL A 73 -10.006 -24.813 5.245 1.00 54.14 N ATOM 1115 CA VAL A 73 -11.133 -24.024 5.730 1.00 63.41 C ATOM 1116 C VAL A 73 -11.645 -23.076 4.652 1.00 70.35 C ATOM 1117 O VAL A 73 -11.045 -22.034 4.391 1.00 60.00 O ATOM 1118 CB VAL A 73 -10.749 -23.206 6.977 1.00 31.22 C ATOM 1119 CG1 VAL A 73 -11.934 -22.385 7.462 1.00 2.24 C ATOM 1120 CG2 VAL A 73 -10.238 -24.123 8.079 1.00 54.23 C ATOM 0 H VAL A 73 -9.237 -24.261 4.865 1.00 54.14 H new ATOM 0 HA VAL A 73 -11.922 -24.728 5.995 1.00 63.41 H new ATOM 0 HB VAL A 73 -9.947 -22.519 6.707 1.00 31.22 H new ATOM 0 HG11 VAL A 73 -11.644 -21.814 8.344 1.00 2.24 H new ATOM 0 HG12 VAL A 73 -12.250 -21.701 6.674 1.00 2.24 H new ATOM 0 HG13 VAL A 73 -12.758 -23.051 7.716 1.00 2.24 H new ATOM 0 HG21 VAL A 73 -9.971 -23.528 8.953 1.00 54.23 H new ATOM 0 HG22 VAL A 73 -11.017 -24.836 8.349 1.00 54.23 H new ATOM 0 HG23 VAL A 73 -9.359 -24.662 7.725 1.00 54.23 H new ATOM 1130 N ALA A 74 -12.759 -23.445 4.028 1.00 60.34 N ATOM 1131 CA ALA A 74 -13.354 -22.627 2.979 1.00 51.52 C ATOM 1132 C ALA A 74 -13.663 -21.223 3.487 1.00 13.53 C ATOM 1133 O ALA A 74 -14.623 -21.018 4.231 1.00 21.21 O ATOM 1134 CB ALA A 74 -14.617 -23.287 2.446 1.00 30.12 C ATOM 0 H ALA A 74 -13.268 -24.306 4.231 1.00 60.34 H new ATOM 0 HA ALA A 74 -12.632 -22.541 2.167 1.00 51.52 H new ATOM 0 HB1 ALA A 74 -15.050 -22.664 1.663 1.00 30.12 H new ATOM 0 HB2 ALA A 74 -14.370 -24.266 2.036 1.00 30.12 H new ATOM 0 HB3 ALA A 74 -15.336 -23.404 3.257 1.00 30.12 H new ATOM 1140 N PHE A 75 -12.844 -20.258 3.082 1.00 12.31 N ATOM 1141 CA PHE A 75 -13.030 -18.873 3.498 1.00 5.55 C ATOM 1142 C PHE A 75 -13.880 -18.110 2.487 1.00 50.30 C ATOM 1143 O PHE A 75 -13.910 -18.449 1.304 1.00 11.20 O ATOM 1144 CB PHE A 75 -11.674 -18.182 3.666 1.00 72.33 C ATOM 1145 CG PHE A 75 -10.963 -17.935 2.366 1.00 11.01 C ATOM 1146 CD1 PHE A 75 -11.220 -16.791 1.627 1.00 32.32 C ATOM 1147 CD2 PHE A 75 -10.037 -18.846 1.884 1.00 51.44 C ATOM 1148 CE1 PHE A 75 -10.568 -16.562 0.431 1.00 42.13 C ATOM 1149 CE2 PHE A 75 -9.381 -18.621 0.688 1.00 71.32 C ATOM 1150 CZ PHE A 75 -9.646 -17.477 -0.039 1.00 72.20 C ATOM 0 H PHE A 75 -12.045 -20.410 2.466 1.00 12.31 H new ATOM 0 HA PHE A 75 -13.551 -18.875 4.456 1.00 5.55 H new ATOM 0 HB2 PHE A 75 -11.821 -17.231 4.177 1.00 72.33 H new ATOM 0 HB3 PHE A 75 -11.040 -18.794 4.307 1.00 72.33 H new ATOM 0 HD1 PHE A 75 -11.938 -16.071 1.990 1.00 32.32 H new ATOM 0 HD2 PHE A 75 -9.825 -19.742 2.449 1.00 51.44 H new ATOM 0 HE1 PHE A 75 -10.779 -15.668 -0.137 1.00 42.13 H new ATOM 0 HE2 PHE A 75 -8.662 -19.339 0.323 1.00 71.32 H new ATOM 0 HZ PHE A 75 -9.134 -17.298 -0.973 1.00 72.20 H new ATOM 1160 N SER A 76 -14.570 -17.078 2.962 1.00 54.01 N ATOM 1161 CA SER A 76 -15.425 -16.269 2.101 1.00 74.10 C ATOM 1162 C SER A 76 -15.748 -14.931 2.758 1.00 4.45 C ATOM 1163 O SER A 76 -16.841 -14.391 2.590 1.00 50.11 O ATOM 1164 CB SER A 76 -16.720 -17.019 1.783 1.00 55.10 C ATOM 1165 OG SER A 76 -17.210 -17.699 2.926 1.00 50.40 O ATOM 0 H SER A 76 -14.554 -16.782 3.938 1.00 54.01 H new ATOM 0 HA SER A 76 -14.886 -16.078 1.173 1.00 74.10 H new ATOM 0 HB2 SER A 76 -17.472 -16.316 1.424 1.00 55.10 H new ATOM 0 HB3 SER A 76 -16.542 -17.734 0.979 1.00 55.10 H new ATOM 0 HG SER A 76 -18.039 -18.169 2.697 1.00 50.40 H new ATOM 1171 N SER A 77 -14.787 -14.401 3.509 1.00 40.52 N ATOM 1172 CA SER A 77 -14.968 -13.127 4.196 1.00 74.13 C ATOM 1173 C SER A 77 -13.621 -12.492 4.527 1.00 54.43 C ATOM 1174 O SER A 77 -12.646 -13.189 4.805 1.00 5.42 O ATOM 1175 CB SER A 77 -15.780 -13.326 5.477 1.00 10.22 C ATOM 1176 OG SER A 77 -16.753 -14.343 5.312 1.00 25.33 O ATOM 0 H SER A 77 -13.875 -14.834 3.657 1.00 40.52 H new ATOM 0 HA SER A 77 -15.512 -12.457 3.530 1.00 74.13 H new ATOM 0 HB2 SER A 77 -15.112 -13.587 6.298 1.00 10.22 H new ATOM 0 HB3 SER A 77 -16.269 -12.391 5.750 1.00 10.22 H new ATOM 0 HG SER A 77 -16.324 -15.221 5.385 1.00 25.33 H new ATOM 1182 N ASP A 78 -13.577 -11.164 4.494 1.00 62.42 N ATOM 1183 CA ASP A 78 -12.351 -10.433 4.791 1.00 24.11 C ATOM 1184 C ASP A 78 -11.760 -10.881 6.125 1.00 74.04 C ATOM 1185 O ASP A 78 -10.549 -11.054 6.250 1.00 23.43 O ATOM 1186 CB ASP A 78 -12.623 -8.928 4.820 1.00 72.34 C ATOM 1187 CG ASP A 78 -11.480 -8.144 5.433 1.00 21.44 C ATOM 1188 OD1 ASP A 78 -11.403 -8.083 6.679 1.00 52.04 O ATOM 1189 OD2 ASP A 78 -10.661 -7.593 4.669 1.00 73.04 O ATOM 0 H ASP A 78 -14.376 -10.573 4.265 1.00 62.42 H new ATOM 0 HA ASP A 78 -11.629 -10.649 4.003 1.00 24.11 H new ATOM 0 HB2 ASP A 78 -12.799 -8.574 3.804 1.00 72.34 H new ATOM 0 HB3 ASP A 78 -13.535 -8.738 5.386 1.00 72.34 H new ATOM 1194 N GLU A 79 -12.626 -11.065 7.117 1.00 64.31 N ATOM 1195 CA GLU A 79 -12.189 -11.491 8.441 1.00 25.03 C ATOM 1196 C GLU A 79 -11.370 -12.776 8.357 1.00 22.01 C ATOM 1197 O GLU A 79 -10.469 -13.004 9.164 1.00 51.41 O ATOM 1198 CB GLU A 79 -13.396 -11.702 9.358 1.00 44.42 C ATOM 1199 CG GLU A 79 -14.473 -12.585 8.752 1.00 20.31 C ATOM 1200 CD GLU A 79 -15.684 -11.797 8.293 1.00 13.02 C ATOM 1201 OE1 GLU A 79 -15.519 -10.613 7.932 1.00 3.22 O ATOM 1202 OE2 GLU A 79 -16.797 -12.363 8.295 1.00 31.31 O ATOM 0 H GLU A 79 -13.633 -10.926 7.029 1.00 64.31 H new ATOM 0 HA GLU A 79 -11.558 -10.705 8.857 1.00 25.03 H new ATOM 0 HB2 GLU A 79 -13.057 -12.147 10.294 1.00 44.42 H new ATOM 0 HB3 GLU A 79 -13.829 -10.732 9.604 1.00 44.42 H new ATOM 0 HG2 GLU A 79 -14.057 -13.130 7.905 1.00 20.31 H new ATOM 0 HG3 GLU A 79 -14.785 -13.328 9.487 1.00 20.31 H new ATOM 1209 N GLU A 80 -11.691 -13.612 7.375 1.00 60.23 N ATOM 1210 CA GLU A 80 -10.986 -14.875 7.186 1.00 13.31 C ATOM 1211 C GLU A 80 -9.662 -14.655 6.461 1.00 25.31 C ATOM 1212 O GLU A 80 -8.707 -15.412 6.646 1.00 40.34 O ATOM 1213 CB GLU A 80 -11.855 -15.857 6.397 1.00 13.44 C ATOM 1214 CG GLU A 80 -12.895 -16.568 7.247 1.00 24.05 C ATOM 1215 CD GLU A 80 -14.275 -15.954 7.116 1.00 21.15 C ATOM 1216 OE1 GLU A 80 -14.852 -16.020 6.011 1.00 44.31 O ATOM 1217 OE2 GLU A 80 -14.778 -15.408 8.121 1.00 74.23 O ATOM 0 H GLU A 80 -12.434 -13.438 6.698 1.00 60.23 H new ATOM 0 HA GLU A 80 -10.777 -15.296 8.170 1.00 13.31 H new ATOM 0 HB2 GLU A 80 -12.360 -15.319 5.595 1.00 13.44 H new ATOM 0 HB3 GLU A 80 -11.212 -16.601 5.926 1.00 13.44 H new ATOM 0 HG2 GLU A 80 -12.940 -17.618 6.957 1.00 24.05 H new ATOM 0 HG3 GLU A 80 -12.586 -16.539 8.292 1.00 24.05 H new ATOM 1224 N LEU A 81 -9.611 -13.616 5.635 1.00 10.15 N ATOM 1225 CA LEU A 81 -8.404 -13.296 4.881 1.00 0.23 C ATOM 1226 C LEU A 81 -7.333 -12.705 5.793 1.00 52.45 C ATOM 1227 O LEU A 81 -6.191 -13.164 5.807 1.00 63.24 O ATOM 1228 CB LEU A 81 -8.729 -12.315 3.754 1.00 43.44 C ATOM 1229 CG LEU A 81 -9.246 -12.933 2.454 1.00 0.32 C ATOM 1230 CD1 LEU A 81 -8.240 -13.929 1.899 1.00 5.41 C ATOM 1231 CD2 LEU A 81 -10.593 -13.604 2.682 1.00 42.51 C ATOM 0 H LEU A 81 -10.392 -12.981 5.470 1.00 10.15 H new ATOM 0 HA LEU A 81 -8.018 -14.220 4.450 1.00 0.23 H new ATOM 0 HB2 LEU A 81 -9.474 -11.608 4.118 1.00 43.44 H new ATOM 0 HB3 LEU A 81 -7.830 -11.742 3.528 1.00 43.44 H new ATOM 0 HG LEU A 81 -9.378 -12.136 1.723 1.00 0.32 H new ATOM 0 HD11 LEU A 81 -8.625 -14.358 0.974 1.00 5.41 H new ATOM 0 HD12 LEU A 81 -7.297 -13.420 1.698 1.00 5.41 H new ATOM 0 HD13 LEU A 81 -8.075 -14.724 2.627 1.00 5.41 H new ATOM 0 HD21 LEU A 81 -10.946 -14.038 1.747 1.00 42.51 H new ATOM 0 HD22 LEU A 81 -10.486 -14.390 3.430 1.00 42.51 H new ATOM 0 HD23 LEU A 81 -11.313 -12.865 3.033 1.00 42.51 H new ATOM 1243 N THR A 82 -7.710 -11.683 6.555 1.00 14.02 N ATOM 1244 CA THR A 82 -6.784 -11.029 7.470 1.00 25.45 C ATOM 1245 C THR A 82 -6.096 -12.045 8.376 1.00 73.45 C ATOM 1246 O THR A 82 -4.964 -11.837 8.810 1.00 63.52 O ATOM 1247 CB THR A 82 -7.501 -9.983 8.344 1.00 22.02 C ATOM 1248 OG1 THR A 82 -6.541 -9.108 8.948 1.00 33.31 O ATOM 1249 CG2 THR A 82 -8.330 -10.658 9.426 1.00 74.32 C ATOM 0 H THR A 82 -8.651 -11.290 6.556 1.00 14.02 H new ATOM 0 HA THR A 82 -6.036 -10.527 6.856 1.00 25.45 H new ATOM 0 HB THR A 82 -8.168 -9.404 7.705 1.00 22.02 H new ATOM 0 HG1 THR A 82 -7.005 -8.445 9.501 1.00 33.31 H new ATOM 0 HG21 THR A 82 -8.827 -9.899 10.030 1.00 74.32 H new ATOM 0 HG22 THR A 82 -9.079 -11.301 8.963 1.00 74.32 H new ATOM 0 HG23 THR A 82 -7.679 -11.259 10.061 1.00 74.32 H new ATOM 1257 N MET A 83 -6.788 -13.145 8.656 1.00 53.14 N ATOM 1258 CA MET A 83 -6.242 -14.195 9.508 1.00 14.52 C ATOM 1259 C MET A 83 -5.345 -15.133 8.708 1.00 5.20 C ATOM 1260 O MET A 83 -4.270 -15.519 9.166 1.00 22.33 O ATOM 1261 CB MET A 83 -7.374 -14.988 10.164 1.00 62.40 C ATOM 1262 CG MET A 83 -7.032 -15.497 11.555 1.00 33.02 C ATOM 1263 SD MET A 83 -8.498 -15.872 12.537 1.00 44.41 S ATOM 1264 CE MET A 83 -8.642 -14.377 13.513 1.00 54.20 C ATOM 0 H MET A 83 -7.727 -13.332 8.305 1.00 53.14 H new ATOM 0 HA MET A 83 -5.641 -13.723 10.285 1.00 14.52 H new ATOM 0 HB2 MET A 83 -8.261 -14.357 10.225 1.00 62.40 H new ATOM 0 HB3 MET A 83 -7.629 -15.836 9.528 1.00 62.40 H new ATOM 0 HG2 MET A 83 -6.418 -16.393 11.469 1.00 33.02 H new ATOM 0 HG3 MET A 83 -6.433 -14.749 12.074 1.00 33.02 H new ATOM 0 HE1 MET A 83 -9.506 -14.455 14.173 1.00 54.20 H new ATOM 0 HE2 MET A 83 -7.740 -14.244 14.110 1.00 54.20 H new ATOM 0 HE3 MET A 83 -8.768 -13.521 12.850 1.00 54.20 H new ATOM 1274 N ALA A 84 -5.793 -15.496 7.511 1.00 41.54 N ATOM 1275 CA ALA A 84 -5.029 -16.387 6.647 1.00 61.02 C ATOM 1276 C ALA A 84 -3.626 -15.843 6.400 1.00 23.33 C ATOM 1277 O ALA A 84 -2.638 -16.564 6.537 1.00 22.23 O ATOM 1278 CB ALA A 84 -5.756 -16.594 5.326 1.00 13.15 C ATOM 0 H ALA A 84 -6.682 -15.187 7.117 1.00 41.54 H new ATOM 0 HA ALA A 84 -4.934 -17.348 7.152 1.00 61.02 H new ATOM 0 HB1 ALA A 84 -5.174 -17.262 4.691 1.00 13.15 H new ATOM 0 HB2 ALA A 84 -6.735 -17.035 5.515 1.00 13.15 H new ATOM 0 HB3 ALA A 84 -5.881 -15.634 4.825 1.00 13.15 H new ATOM 1284 N MET A 85 -3.546 -14.568 6.035 1.00 0.14 N ATOM 1285 CA MET A 85 -2.263 -13.928 5.770 1.00 24.03 C ATOM 1286 C MET A 85 -1.368 -13.972 7.005 1.00 62.31 C ATOM 1287 O MET A 85 -0.144 -13.888 6.900 1.00 53.44 O ATOM 1288 CB MET A 85 -2.473 -12.478 5.330 1.00 23.01 C ATOM 1289 CG MET A 85 -3.000 -12.344 3.911 1.00 62.24 C ATOM 1290 SD MET A 85 -1.684 -12.352 2.678 1.00 53.34 S ATOM 1291 CE MET A 85 -2.602 -11.924 1.200 1.00 13.54 C ATOM 0 H MET A 85 -4.354 -13.958 5.916 1.00 0.14 H new ATOM 0 HA MET A 85 -1.771 -14.476 4.967 1.00 24.03 H new ATOM 0 HB2 MET A 85 -3.171 -11.997 6.015 1.00 23.01 H new ATOM 0 HB3 MET A 85 -1.527 -11.942 5.410 1.00 23.01 H new ATOM 0 HG2 MET A 85 -3.690 -13.162 3.705 1.00 62.24 H new ATOM 0 HG3 MET A 85 -3.568 -11.418 3.824 1.00 62.24 H new ATOM 0 HE1 MET A 85 -1.924 -11.889 0.348 1.00 13.54 H new ATOM 0 HE2 MET A 85 -3.372 -12.674 1.020 1.00 13.54 H new ATOM 0 HE3 MET A 85 -3.070 -10.948 1.332 1.00 13.54 H new ATOM 1301 N SER A 86 -1.986 -14.105 8.174 1.00 31.10 N ATOM 1302 CA SER A 86 -1.245 -14.156 9.429 1.00 73.30 C ATOM 1303 C SER A 86 -0.404 -15.426 9.512 1.00 62.33 C ATOM 1304 O SER A 86 0.586 -15.482 10.241 1.00 22.05 O ATOM 1305 CB SER A 86 -2.207 -14.090 10.617 1.00 74.23 C ATOM 1306 OG SER A 86 -1.533 -13.693 11.798 1.00 42.11 O ATOM 0 H SER A 86 -2.998 -14.179 8.278 1.00 31.10 H new ATOM 0 HA SER A 86 -0.577 -13.295 9.463 1.00 73.30 H new ATOM 0 HB2 SER A 86 -3.011 -13.387 10.399 1.00 74.23 H new ATOM 0 HB3 SER A 86 -2.669 -15.065 10.769 1.00 74.23 H new ATOM 0 HG SER A 86 -2.170 -13.657 12.542 1.00 42.11 H new ATOM 1312 N TYR A 87 -0.805 -16.444 8.759 1.00 72.25 N ATOM 1313 CA TYR A 87 -0.091 -17.715 8.747 1.00 23.14 C ATOM 1314 C TYR A 87 1.033 -17.699 7.716 1.00 61.43 C ATOM 1315 O TYR A 87 2.010 -18.440 7.833 1.00 54.23 O ATOM 1316 CB TYR A 87 -1.056 -18.864 8.449 1.00 24.05 C ATOM 1317 CG TYR A 87 -2.160 -19.008 9.472 1.00 11.20 C ATOM 1318 CD1 TYR A 87 -3.326 -18.259 9.373 1.00 35.04 C ATOM 1319 CD2 TYR A 87 -2.037 -19.891 10.537 1.00 31.41 C ATOM 1320 CE1 TYR A 87 -4.338 -18.386 10.306 1.00 70.43 C ATOM 1321 CE2 TYR A 87 -3.044 -20.026 11.473 1.00 31.51 C ATOM 1322 CZ TYR A 87 -4.192 -19.272 11.353 1.00 13.23 C ATOM 1323 OH TYR A 87 -5.197 -19.402 12.284 1.00 31.44 O ATOM 0 H TYR A 87 -1.621 -16.414 8.148 1.00 72.25 H new ATOM 0 HA TYR A 87 0.348 -17.865 9.733 1.00 23.14 H new ATOM 0 HB2 TYR A 87 -1.501 -18.708 7.466 1.00 24.05 H new ATOM 0 HB3 TYR A 87 -0.494 -19.796 8.400 1.00 24.05 H new ATOM 0 HD1 TYR A 87 -3.444 -17.566 8.553 1.00 35.04 H new ATOM 0 HD2 TYR A 87 -1.139 -20.482 10.635 1.00 31.41 H new ATOM 0 HE1 TYR A 87 -5.237 -17.795 10.216 1.00 70.43 H new ATOM 0 HE2 TYR A 87 -2.933 -20.718 12.294 1.00 31.51 H new ATOM 0 HH TYR A 87 -4.937 -20.068 12.955 1.00 31.44 H new ATOM 1333 N VAL A 88 0.887 -16.849 6.705 1.00 45.23 N ATOM 1334 CA VAL A 88 1.890 -16.734 5.652 1.00 12.52 C ATOM 1335 C VAL A 88 3.097 -15.934 6.128 1.00 3.04 C ATOM 1336 O VAL A 88 3.073 -14.703 6.148 1.00 33.23 O ATOM 1337 CB VAL A 88 1.308 -16.063 4.394 1.00 53.23 C ATOM 1338 CG1 VAL A 88 2.328 -16.067 3.266 1.00 41.03 C ATOM 1339 CG2 VAL A 88 0.024 -16.758 3.965 1.00 23.13 C ATOM 0 H VAL A 88 0.084 -16.230 6.592 1.00 45.23 H new ATOM 0 HA VAL A 88 2.204 -17.747 5.402 1.00 12.52 H new ATOM 0 HB VAL A 88 1.071 -15.026 4.633 1.00 53.23 H new ATOM 0 HG11 VAL A 88 1.899 -15.589 2.386 1.00 41.03 H new ATOM 0 HG12 VAL A 88 3.218 -15.520 3.578 1.00 41.03 H new ATOM 0 HG13 VAL A 88 2.599 -17.095 3.025 1.00 41.03 H new ATOM 0 HG21 VAL A 88 -0.373 -16.271 3.075 1.00 23.13 H new ATOM 0 HG22 VAL A 88 0.233 -17.804 3.743 1.00 23.13 H new ATOM 0 HG23 VAL A 88 -0.709 -16.697 4.770 1.00 23.13 H new ATOM 1349 N LYS A 89 4.155 -16.642 6.511 1.00 13.44 N ATOM 1350 CA LYS A 89 5.374 -15.999 6.986 1.00 25.34 C ATOM 1351 C LYS A 89 6.182 -15.437 5.821 1.00 3.43 C ATOM 1352 O LYS A 89 6.999 -14.533 5.999 1.00 11.52 O ATOM 1353 CB LYS A 89 6.226 -16.996 7.777 1.00 55.22 C ATOM 1354 CG LYS A 89 5.873 -17.060 9.253 1.00 72.42 C ATOM 1355 CD LYS A 89 6.898 -17.863 10.036 1.00 11.14 C ATOM 1356 CE LYS A 89 6.914 -17.465 11.504 1.00 12.52 C ATOM 1357 NZ LYS A 89 7.891 -18.271 12.287 1.00 0.42 N ATOM 0 H LYS A 89 4.192 -17.661 6.501 1.00 13.44 H new ATOM 0 HA LYS A 89 5.089 -15.174 7.639 1.00 25.34 H new ATOM 0 HB2 LYS A 89 6.109 -17.988 7.341 1.00 55.22 H new ATOM 0 HB3 LYS A 89 7.277 -16.725 7.675 1.00 55.22 H new ATOM 0 HG2 LYS A 89 5.814 -16.050 9.658 1.00 72.42 H new ATOM 0 HG3 LYS A 89 4.888 -17.510 9.373 1.00 72.42 H new ATOM 0 HD2 LYS A 89 6.673 -18.926 9.948 1.00 11.14 H new ATOM 0 HD3 LYS A 89 7.888 -17.710 9.606 1.00 11.14 H new ATOM 0 HE2 LYS A 89 7.164 -16.408 11.591 1.00 12.52 H new ATOM 0 HE3 LYS A 89 5.917 -17.593 11.926 1.00 12.52 H new ATOM 0 HZ1 LYS A 89 7.871 -17.969 13.282 1.00 0.42 H new ATOM 0 HZ2 LYS A 89 7.639 -19.278 12.226 1.00 0.42 H new ATOM 0 HZ3 LYS A 89 8.846 -18.129 11.901 1.00 0.42 H new ATOM 1371 N ASP A 90 5.948 -15.976 4.630 1.00 2.11 N ATOM 1372 CA ASP A 90 6.652 -15.526 3.435 1.00 5.52 C ATOM 1373 C ASP A 90 5.812 -14.518 2.657 1.00 44.14 C ATOM 1374 O ASP A 90 4.796 -14.029 3.150 1.00 32.41 O ATOM 1375 CB ASP A 90 6.999 -16.718 2.542 1.00 42.41 C ATOM 1376 CG ASP A 90 7.590 -17.875 3.324 1.00 52.53 C ATOM 1377 OD1 ASP A 90 6.810 -18.647 3.919 1.00 62.10 O ATOM 1378 OD2 ASP A 90 8.832 -18.007 3.341 1.00 53.20 O ATOM 0 H ASP A 90 5.276 -16.726 4.466 1.00 2.11 H new ATOM 0 HA ASP A 90 7.574 -15.037 3.749 1.00 5.52 H new ATOM 0 HB2 ASP A 90 6.100 -17.054 2.025 1.00 42.41 H new ATOM 0 HB3 ASP A 90 7.708 -16.401 1.777 1.00 42.41 H new ATOM 1383 N ASP A 91 6.245 -14.211 1.439 1.00 74.05 N ATOM 1384 CA ASP A 91 5.532 -13.261 0.591 1.00 25.43 C ATOM 1385 C ASP A 91 4.707 -13.989 -0.465 1.00 53.22 C ATOM 1386 O ASP A 91 4.435 -13.446 -1.537 1.00 10.04 O ATOM 1387 CB ASP A 91 6.519 -12.307 -0.083 1.00 3.02 C ATOM 1388 CG ASP A 91 7.169 -11.356 0.902 1.00 4.53 C ATOM 1389 OD1 ASP A 91 7.195 -11.676 2.109 1.00 34.42 O ATOM 1390 OD2 ASP A 91 7.654 -10.290 0.466 1.00 32.54 O ATOM 0 H ASP A 91 7.085 -14.605 1.017 1.00 74.05 H new ATOM 0 HA ASP A 91 4.855 -12.685 1.222 1.00 25.43 H new ATOM 0 HB2 ASP A 91 7.292 -12.886 -0.589 1.00 3.02 H new ATOM 0 HB3 ASP A 91 5.999 -11.732 -0.849 1.00 3.02 H new ATOM 1395 N ILE A 92 4.312 -15.219 -0.156 1.00 70.34 N ATOM 1396 CA ILE A 92 3.518 -16.020 -1.079 1.00 74.43 C ATOM 1397 C ILE A 92 2.268 -16.568 -0.397 1.00 43.33 C ATOM 1398 O ILE A 92 2.354 -17.256 0.620 1.00 3.20 O ATOM 1399 CB ILE A 92 4.333 -17.195 -1.651 1.00 22.23 C ATOM 1400 CG1 ILE A 92 5.581 -16.677 -2.369 1.00 11.22 C ATOM 1401 CG2 ILE A 92 3.477 -18.024 -2.597 1.00 10.14 C ATOM 1402 CD1 ILE A 92 6.443 -17.775 -2.951 1.00 2.13 C ATOM 0 H ILE A 92 4.529 -15.683 0.726 1.00 70.34 H new ATOM 0 HA ILE A 92 3.225 -15.360 -1.896 1.00 74.43 H new ATOM 0 HB ILE A 92 4.650 -17.833 -0.826 1.00 22.23 H new ATOM 0 HG12 ILE A 92 5.276 -16.003 -3.169 1.00 11.22 H new ATOM 0 HG13 ILE A 92 6.177 -16.092 -1.669 1.00 11.22 H new ATOM 0 HG21 ILE A 92 4.068 -18.850 -2.993 1.00 10.14 H new ATOM 0 HG22 ILE A 92 2.616 -18.419 -2.057 1.00 10.14 H new ATOM 0 HG23 ILE A 92 3.133 -17.397 -3.420 1.00 10.14 H new ATOM 0 HD11 ILE A 92 7.309 -17.334 -3.445 1.00 2.13 H new ATOM 0 HD12 ILE A 92 6.778 -18.437 -2.152 1.00 2.13 H new ATOM 0 HD13 ILE A 92 5.864 -18.346 -3.676 1.00 2.13 H new ATOM 1414 N PHE A 93 1.107 -16.259 -0.965 1.00 43.33 N ATOM 1415 CA PHE A 93 -0.161 -16.720 -0.413 1.00 21.22 C ATOM 1416 C PHE A 93 -0.721 -17.880 -1.231 1.00 24.30 C ATOM 1417 O PHE A 93 -1.172 -17.696 -2.361 1.00 53.42 O ATOM 1418 CB PHE A 93 -1.173 -15.573 -0.375 1.00 64.01 C ATOM 1419 CG PHE A 93 -2.483 -15.950 0.255 1.00 1.22 C ATOM 1420 CD1 PHE A 93 -2.516 -16.670 1.438 1.00 20.03 C ATOM 1421 CD2 PHE A 93 -3.682 -15.584 -0.336 1.00 24.20 C ATOM 1422 CE1 PHE A 93 -3.720 -17.018 2.021 1.00 30.12 C ATOM 1423 CE2 PHE A 93 -4.888 -15.929 0.242 1.00 15.04 C ATOM 1424 CZ PHE A 93 -4.908 -16.648 1.422 1.00 42.23 C ATOM 0 H PHE A 93 1.018 -15.691 -1.808 1.00 43.33 H new ATOM 0 HA PHE A 93 0.020 -17.069 0.604 1.00 21.22 H new ATOM 0 HB2 PHE A 93 -0.742 -14.737 0.175 1.00 64.01 H new ATOM 0 HB3 PHE A 93 -1.355 -15.226 -1.392 1.00 64.01 H new ATOM 0 HD1 PHE A 93 -1.590 -16.963 1.910 1.00 20.03 H new ATOM 0 HD2 PHE A 93 -3.673 -15.023 -1.259 1.00 24.20 H new ATOM 0 HE1 PHE A 93 -3.732 -17.579 2.944 1.00 30.12 H new ATOM 0 HE2 PHE A 93 -5.815 -15.637 -0.228 1.00 15.04 H new ATOM 0 HZ PHE A 93 -5.850 -16.920 1.875 1.00 42.23 H new ATOM 1434 N ARG A 94 -0.686 -19.076 -0.652 1.00 13.24 N ATOM 1435 CA ARG A 94 -1.188 -20.267 -1.327 1.00 10.43 C ATOM 1436 C ARG A 94 -2.585 -20.626 -0.829 1.00 51.21 C ATOM 1437 O ARG A 94 -2.893 -20.469 0.353 1.00 62.11 O ATOM 1438 CB ARG A 94 -0.237 -21.444 -1.104 1.00 32.13 C ATOM 1439 CG ARG A 94 1.082 -21.311 -1.846 1.00 42.43 C ATOM 1440 CD ARG A 94 2.108 -22.315 -1.345 1.00 31.11 C ATOM 1441 NE ARG A 94 2.049 -23.573 -2.085 1.00 30.15 N ATOM 1442 CZ ARG A 94 2.606 -24.702 -1.660 1.00 42.23 C ATOM 1443 NH1 ARG A 94 3.260 -24.730 -0.507 1.00 42.43 N ATOM 1444 NH2 ARG A 94 2.509 -25.806 -2.390 1.00 5.12 N ATOM 0 H ARG A 94 -0.315 -19.246 0.283 1.00 13.24 H new ATOM 0 HA ARG A 94 -1.246 -20.052 -2.394 1.00 10.43 H new ATOM 0 HB2 ARG A 94 -0.036 -21.540 -0.037 1.00 32.13 H new ATOM 0 HB3 ARG A 94 -0.730 -22.363 -1.419 1.00 32.13 H new ATOM 0 HG2 ARG A 94 0.917 -21.460 -2.913 1.00 42.43 H new ATOM 0 HG3 ARG A 94 1.470 -20.300 -1.722 1.00 42.43 H new ATOM 0 HD2 ARG A 94 3.107 -21.888 -1.435 1.00 31.11 H new ATOM 0 HD3 ARG A 94 1.938 -22.509 -0.286 1.00 31.11 H new ATOM 0 HE ARG A 94 1.553 -23.585 -2.976 1.00 30.15 H new ATOM 0 HH11 ARG A 94 3.337 -23.883 0.057 1.00 42.43 H new ATOM 0 HH12 ARG A 94 3.686 -25.598 -0.184 1.00 42.43 H new ATOM 0 HH21 ARG A 94 2.007 -25.788 -3.278 1.00 5.12 H new ATOM 0 HH22 ARG A 94 2.937 -26.673 -2.063 1.00 5.12 H new ATOM 1458 N ILE A 95 -3.426 -21.107 -1.738 1.00 62.24 N ATOM 1459 CA ILE A 95 -4.789 -21.489 -1.391 1.00 51.25 C ATOM 1460 C ILE A 95 -5.298 -22.600 -2.303 1.00 61.04 C ATOM 1461 O ILE A 95 -4.775 -22.807 -3.399 1.00 2.04 O ATOM 1462 CB ILE A 95 -5.749 -20.288 -1.479 1.00 54.13 C ATOM 1463 CG1 ILE A 95 -5.611 -19.594 -2.836 1.00 64.20 C ATOM 1464 CG2 ILE A 95 -5.478 -19.309 -0.347 1.00 43.53 C ATOM 1465 CD1 ILE A 95 -6.535 -18.409 -3.006 1.00 72.21 C ATOM 0 H ILE A 95 -3.187 -21.241 -2.721 1.00 62.24 H new ATOM 0 HA ILE A 95 -4.764 -21.850 -0.363 1.00 51.25 H new ATOM 0 HB ILE A 95 -6.772 -20.652 -1.381 1.00 54.13 H new ATOM 0 HG12 ILE A 95 -4.581 -19.262 -2.962 1.00 64.20 H new ATOM 0 HG13 ILE A 95 -5.812 -20.317 -3.627 1.00 64.20 H new ATOM 0 HG21 ILE A 95 -6.164 -18.466 -0.423 1.00 43.53 H new ATOM 0 HG22 ILE A 95 -5.623 -19.810 0.610 1.00 43.53 H new ATOM 0 HG23 ILE A 95 -4.452 -18.949 -0.416 1.00 43.53 H new ATOM 0 HD11 ILE A 95 -6.382 -17.967 -3.991 1.00 72.21 H new ATOM 0 HD12 ILE A 95 -7.570 -18.738 -2.913 1.00 72.21 H new ATOM 0 HD13 ILE A 95 -6.320 -17.667 -2.237 1.00 72.21 H new ATOM 1477 N TYR A 96 -6.322 -23.311 -1.845 1.00 61.31 N ATOM 1478 CA TYR A 96 -6.902 -24.402 -2.619 1.00 62.31 C ATOM 1479 C TYR A 96 -8.272 -24.014 -3.166 1.00 40.13 C ATOM 1480 O TYR A 96 -9.228 -23.840 -2.410 1.00 31.40 O ATOM 1481 CB TYR A 96 -7.023 -25.660 -1.756 1.00 44.34 C ATOM 1482 CG TYR A 96 -5.689 -26.257 -1.367 1.00 13.02 C ATOM 1483 CD1 TYR A 96 -4.890 -25.653 -0.404 1.00 64.05 C ATOM 1484 CD2 TYR A 96 -5.230 -27.426 -1.961 1.00 22.24 C ATOM 1485 CE1 TYR A 96 -3.671 -26.195 -0.046 1.00 44.02 C ATOM 1486 CE2 TYR A 96 -4.013 -27.976 -1.607 1.00 63.14 C ATOM 1487 CZ TYR A 96 -3.237 -27.357 -0.650 1.00 44.41 C ATOM 1488 OH TYR A 96 -2.023 -27.900 -0.295 1.00 34.41 O ATOM 0 H TYR A 96 -6.768 -23.151 -0.941 1.00 61.31 H new ATOM 0 HA TYR A 96 -6.240 -24.608 -3.460 1.00 62.31 H new ATOM 0 HB2 TYR A 96 -7.581 -25.418 -0.852 1.00 44.34 H new ATOM 0 HB3 TYR A 96 -7.602 -26.408 -2.297 1.00 44.34 H new ATOM 0 HD1 TYR A 96 -5.228 -24.745 0.073 1.00 64.05 H new ATOM 0 HD2 TYR A 96 -5.835 -27.913 -2.712 1.00 22.24 H new ATOM 0 HE1 TYR A 96 -3.061 -25.712 0.703 1.00 44.02 H new ATOM 0 HE2 TYR A 96 -3.671 -28.886 -2.077 1.00 63.14 H new ATOM 0 HH TYR A 96 -1.867 -28.718 -0.812 1.00 34.41 H new ATOM 1498 N ILE A 97 -8.359 -23.880 -4.485 1.00 44.14 N ATOM 1499 CA ILE A 97 -9.611 -23.514 -5.135 1.00 32.01 C ATOM 1500 C ILE A 97 -10.429 -24.752 -5.489 1.00 11.55 C ATOM 1501 O ILE A 97 -9.904 -25.720 -6.038 1.00 74.31 O ATOM 1502 CB ILE A 97 -9.363 -22.694 -6.414 1.00 51.45 C ATOM 1503 CG1 ILE A 97 -8.442 -21.509 -6.116 1.00 64.13 C ATOM 1504 CG2 ILE A 97 -10.682 -22.211 -6.999 1.00 35.35 C ATOM 1505 CD1 ILE A 97 -8.967 -20.592 -5.034 1.00 21.43 C ATOM 0 H ILE A 97 -7.577 -24.020 -5.125 1.00 44.14 H new ATOM 0 HA ILE A 97 -10.168 -22.904 -4.425 1.00 32.01 H new ATOM 0 HB ILE A 97 -8.875 -23.335 -7.148 1.00 51.45 H new ATOM 0 HG12 ILE A 97 -7.464 -21.886 -5.818 1.00 64.13 H new ATOM 0 HG13 ILE A 97 -8.297 -20.933 -7.030 1.00 64.13 H new ATOM 0 HG21 ILE A 97 -10.489 -21.633 -7.903 1.00 35.35 H new ATOM 0 HG22 ILE A 97 -11.307 -23.069 -7.244 1.00 35.35 H new ATOM 0 HG23 ILE A 97 -11.196 -21.584 -6.270 1.00 35.35 H new ATOM 0 HD11 ILE A 97 -8.263 -19.775 -4.876 1.00 21.43 H new ATOM 0 HD12 ILE A 97 -9.932 -20.186 -5.338 1.00 21.43 H new ATOM 0 HD13 ILE A 97 -9.085 -21.153 -4.107 1.00 21.43 H new ATOM 1517 N LYS A 98 -11.719 -24.712 -5.171 1.00 63.11 N ATOM 1518 CA LYS A 98 -12.612 -25.828 -5.457 1.00 71.35 C ATOM 1519 C LYS A 98 -13.986 -25.328 -5.892 1.00 11.14 C ATOM 1520 O LYS A 98 -14.604 -24.513 -5.208 1.00 3.34 O ATOM 1521 CB LYS A 98 -12.750 -26.726 -4.226 1.00 73.52 C ATOM 1522 CG LYS A 98 -11.797 -27.909 -4.226 1.00 73.20 C ATOM 1523 CD LYS A 98 -12.334 -29.058 -3.388 1.00 51.32 C ATOM 1524 CE LYS A 98 -11.712 -30.384 -3.797 1.00 61.10 C ATOM 1525 NZ LYS A 98 -12.525 -31.543 -3.335 1.00 65.55 N ATOM 0 H LYS A 98 -12.169 -23.918 -4.715 1.00 63.11 H new ATOM 0 HA LYS A 98 -12.180 -26.406 -6.274 1.00 71.35 H new ATOM 0 HB2 LYS A 98 -12.576 -26.130 -3.330 1.00 73.52 H new ATOM 0 HB3 LYS A 98 -13.774 -27.095 -4.169 1.00 73.52 H new ATOM 0 HG2 LYS A 98 -11.636 -28.248 -5.249 1.00 73.20 H new ATOM 0 HG3 LYS A 98 -10.828 -27.596 -3.838 1.00 73.20 H new ATOM 0 HD2 LYS A 98 -12.129 -28.868 -2.334 1.00 51.32 H new ATOM 0 HD3 LYS A 98 -13.417 -29.114 -3.497 1.00 51.32 H new ATOM 0 HE2 LYS A 98 -11.613 -30.419 -4.882 1.00 61.10 H new ATOM 0 HE3 LYS A 98 -10.707 -30.457 -3.382 1.00 61.10 H new ATOM 0 HZ1 LYS A 98 -12.068 -32.428 -3.633 1.00 65.55 H new ATOM 0 HZ2 LYS A 98 -12.599 -31.524 -2.298 1.00 65.55 H new ATOM 0 HZ3 LYS A 98 -13.477 -31.487 -3.751 1.00 65.55 H new ATOM 1539 N GLU A 99 -14.458 -25.823 -7.031 1.00 53.05 N ATOM 1540 CA GLU A 99 -15.760 -25.425 -7.555 1.00 21.50 C ATOM 1541 C GLU A 99 -16.887 -26.107 -6.784 1.00 53.55 C ATOM 1542 O GLU A 99 -16.799 -27.287 -6.447 1.00 35.31 O ATOM 1543 CB GLU A 99 -15.863 -25.770 -9.042 1.00 71.12 C ATOM 1544 CG GLU A 99 -15.528 -27.218 -9.356 1.00 62.41 C ATOM 1545 CD GLU A 99 -16.727 -27.999 -9.859 1.00 44.00 C ATOM 1546 OE1 GLU A 99 -17.529 -27.427 -10.626 1.00 1.53 O ATOM 1547 OE2 GLU A 99 -16.862 -29.183 -9.486 1.00 21.15 O ATOM 0 H GLU A 99 -13.959 -26.500 -7.609 1.00 53.05 H new ATOM 0 HA GLU A 99 -15.859 -24.346 -7.432 1.00 21.50 H new ATOM 0 HB2 GLU A 99 -16.875 -25.557 -9.386 1.00 71.12 H new ATOM 0 HB3 GLU A 99 -15.192 -25.121 -9.604 1.00 71.12 H new ATOM 0 HG2 GLU A 99 -14.738 -27.250 -10.106 1.00 62.41 H new ATOM 0 HG3 GLU A 99 -15.136 -27.699 -8.460 1.00 62.41 H new ATOM 1554 N LYS A 100 -17.947 -25.353 -6.509 1.00 24.32 N ATOM 1555 CA LYS A 100 -19.093 -25.882 -5.779 1.00 2.11 C ATOM 1556 C LYS A 100 -19.901 -26.837 -6.652 1.00 43.42 C ATOM 1557 O LYS A 100 -20.344 -27.889 -6.192 1.00 70.35 O ATOM 1558 CB LYS A 100 -19.986 -24.738 -5.294 1.00 32.14 C ATOM 1559 CG LYS A 100 -19.281 -23.770 -4.359 1.00 71.21 C ATOM 1560 CD LYS A 100 -20.258 -23.108 -3.402 1.00 2.21 C ATOM 1561 CE LYS A 100 -21.298 -22.286 -4.147 1.00 73.24 C ATOM 1562 NZ LYS A 100 -22.130 -21.471 -3.220 1.00 12.15 N ATOM 0 H LYS A 100 -18.036 -24.374 -6.781 1.00 24.32 H new ATOM 0 HA LYS A 100 -18.720 -26.434 -4.917 1.00 2.11 H new ATOM 0 HB2 LYS A 100 -20.359 -24.188 -6.158 1.00 32.14 H new ATOM 0 HB3 LYS A 100 -20.853 -25.157 -4.783 1.00 32.14 H new ATOM 0 HG2 LYS A 100 -18.518 -24.302 -3.791 1.00 71.21 H new ATOM 0 HG3 LYS A 100 -18.769 -23.006 -4.944 1.00 71.21 H new ATOM 0 HD2 LYS A 100 -20.756 -23.871 -2.804 1.00 2.21 H new ATOM 0 HD3 LYS A 100 -19.713 -22.466 -2.710 1.00 2.21 H new ATOM 0 HE2 LYS A 100 -20.799 -21.629 -4.860 1.00 73.24 H new ATOM 0 HE3 LYS A 100 -21.942 -22.951 -4.723 1.00 73.24 H new ATOM 0 HZ1 LYS A 100 -22.826 -20.926 -3.767 1.00 12.15 H new ATOM 0 HZ2 LYS A 100 -22.626 -22.099 -2.556 1.00 12.15 H new ATOM 0 HZ3 LYS A 100 -21.519 -20.818 -2.688 1.00 12.15 H new