USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 1033 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 Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -167:sc= 0.115 (180deg=0.0697) USER MOD Single : A 38 MET CE :methyl 169:sc= -1.02 (180deg=-1.32) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 54:sc= -0.483 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 136:sc= 0.0604 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0434) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -147:sc= -0.0436 (180deg=-0.838) USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 LYS NZ :NH3+ -167:sc= 0.122 (180deg=0.0743) USER MOD Single : B 38 MET CE :methyl 177:sc= -0.865 (180deg=-0.962) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 CYS SG : rot -92:sc= 1.69 USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0431) USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 -14.565 22.033 1.784 1.00 24.23 N ATOM 19 CA LYS A 2 -13.433 21.546 1.005 1.00 31.55 C ATOM 20 C LYS A 2 -13.143 22.471 -0.172 1.00 4.33 C ATOM 21 O LYS A 2 -13.990 23.272 -0.568 1.00 75.15 O ATOM 22 CB LYS A 2 -13.708 20.128 0.497 1.00 23.41 C ATOM 23 CG LYS A 2 -14.910 20.036 -0.426 1.00 43.32 C ATOM 24 CD LYS A 2 -15.242 18.593 -0.767 1.00 10.01 C ATOM 25 CE LYS A 2 -16.400 18.504 -1.751 1.00 32.02 C ATOM 26 NZ LYS A 2 -17.533 17.710 -1.202 1.00 45.20 N ATOM 0 HA LYS A 2 -12.558 21.529 1.655 1.00 31.55 H new ATOM 0 HB2 LYS A 2 -12.827 19.763 -0.030 1.00 23.41 H new ATOM 0 HB3 LYS A 2 -13.865 19.469 1.351 1.00 23.41 H new ATOM 0 HG2 LYS A 2 -15.771 20.506 0.049 1.00 43.32 H new ATOM 0 HG3 LYS A 2 -14.709 20.591 -1.343 1.00 43.32 H new ATOM 0 HD2 LYS A 2 -14.364 18.107 -1.192 1.00 10.01 H new ATOM 0 HD3 LYS A 2 -15.495 18.052 0.145 1.00 10.01 H new ATOM 0 HE2 LYS A 2 -16.746 19.508 -1.997 1.00 32.02 H new ATOM 0 HE3 LYS A 2 -16.054 18.049 -2.679 1.00 32.02 H new ATOM 0 HZ1 LYS A 2 -18.302 17.673 -1.901 1.00 45.20 H new ATOM 0 HZ2 LYS A 2 -17.210 16.744 -0.991 1.00 45.20 H new ATOM 0 HZ3 LYS A 2 -17.880 18.158 -0.330 1.00 45.20 H new ATOM 40 N LYS A 3 -11.942 22.354 -0.729 1.00 44.33 N ATOM 41 CA LYS A 3 -11.542 23.179 -1.864 1.00 75.34 C ATOM 42 C LYS A 3 -10.805 22.346 -2.907 1.00 20.13 C ATOM 43 O LYS A 3 -11.354 22.026 -3.962 1.00 54.32 O ATOM 44 CB LYS A 3 -10.651 24.332 -1.393 1.00 23.41 C ATOM 45 CG LYS A 3 -11.428 25.568 -0.976 1.00 21.50 C ATOM 46 CD LYS A 3 -10.753 26.285 0.181 1.00 54.35 C ATOM 47 CE LYS A 3 -9.986 27.510 -0.294 1.00 14.21 C ATOM 48 NZ LYS A 3 -8.574 27.499 0.180 1.00 23.41 N ATOM 0 H LYS A 3 -11.229 21.696 -0.413 1.00 44.33 H new ATOM 0 HA LYS A 3 -12.443 23.588 -2.321 1.00 75.34 H new ATOM 0 HB2 LYS A 3 -10.046 23.993 -0.552 1.00 23.41 H new ATOM 0 HB3 LYS A 3 -9.962 24.599 -2.195 1.00 23.41 H new ATOM 0 HG2 LYS A 3 -11.517 26.247 -1.824 1.00 21.50 H new ATOM 0 HG3 LYS A 3 -12.440 25.283 -0.688 1.00 21.50 H new ATOM 0 HD2 LYS A 3 -11.504 26.585 0.912 1.00 54.35 H new ATOM 0 HD3 LYS A 3 -10.071 25.601 0.687 1.00 54.35 H new ATOM 0 HE2 LYS A 3 -10.003 27.549 -1.383 1.00 14.21 H new ATOM 0 HE3 LYS A 3 -10.483 28.411 0.065 1.00 14.21 H new ATOM 0 HZ1 LYS A 3 -8.085 28.350 -0.165 1.00 23.41 H new ATOM 0 HZ2 LYS A 3 -8.557 27.487 1.220 1.00 23.41 H new ATOM 0 HZ3 LYS A 3 -8.092 26.652 -0.184 1.00 23.41 H new ATOM 62 N LEU A 4 -9.559 21.996 -2.607 1.00 54.45 N ATOM 63 CA LEU A 4 -8.746 21.199 -3.519 1.00 51.13 C ATOM 64 C LEU A 4 -7.916 20.174 -2.754 1.00 41.11 C ATOM 65 O LEU A 4 -7.102 19.458 -3.338 1.00 10.14 O ATOM 66 CB LEU A 4 -7.827 22.106 -4.340 1.00 72.15 C ATOM 67 CG LEU A 4 -6.593 22.643 -3.615 1.00 51.42 C ATOM 68 CD1 LEU A 4 -6.949 23.070 -2.199 1.00 23.15 C ATOM 69 CD2 LEU A 4 -5.486 21.599 -3.598 1.00 44.24 C ATOM 0 H LEU A 4 -9.089 22.252 -1.738 1.00 54.45 H new ATOM 0 HA LEU A 4 -9.417 20.666 -4.193 1.00 51.13 H new ATOM 0 HB2 LEU A 4 -7.496 21.554 -5.219 1.00 72.15 H new ATOM 0 HB3 LEU A 4 -8.411 22.954 -4.698 1.00 72.15 H new ATOM 0 HG LEU A 4 -6.230 23.517 -4.155 1.00 51.42 H new ATOM 0 HD11 LEU A 4 -6.058 23.449 -1.699 1.00 23.15 H new ATOM 0 HD12 LEU A 4 -7.706 23.853 -2.235 1.00 23.15 H new ATOM 0 HD13 LEU A 4 -7.338 22.214 -1.648 1.00 23.15 H new ATOM 0 HD21 LEU A 4 -4.616 22.000 -3.078 1.00 44.24 H new ATOM 0 HD22 LEU A 4 -5.837 20.705 -3.083 1.00 44.24 H new ATOM 0 HD23 LEU A 4 -5.211 21.344 -4.621 1.00 44.24 H new ATOM 81 N ARG A 5 -8.129 20.106 -1.443 1.00 43.11 N ATOM 82 CA ARG A 5 -7.401 19.167 -0.598 1.00 45.01 C ATOM 83 C ARG A 5 -7.868 17.736 -0.848 1.00 41.45 C ATOM 84 O ARG A 5 -7.065 16.804 -0.857 1.00 43.12 O ATOM 85 CB ARG A 5 -7.588 19.526 0.877 1.00 11.13 C ATOM 86 CG ARG A 5 -6.831 20.773 1.300 1.00 75.05 C ATOM 87 CD ARG A 5 -6.896 20.980 2.806 1.00 42.12 C ATOM 88 NE ARG A 5 -6.109 22.133 3.235 1.00 2.30 N ATOM 89 CZ ARG A 5 -5.990 22.511 4.502 1.00 53.21 C ATOM 90 NH1 ARG A 5 -6.602 21.831 5.461 1.00 71.52 N ATOM 91 NH2 ARG A 5 -5.255 23.572 4.813 1.00 71.20 N ATOM 0 H ARG A 5 -8.800 20.690 -0.944 1.00 43.11 H new ATOM 0 HA ARG A 5 -6.343 19.234 -0.850 1.00 45.01 H new ATOM 0 HB2 ARG A 5 -8.650 19.671 1.075 1.00 11.13 H new ATOM 0 HB3 ARG A 5 -7.261 18.687 1.491 1.00 11.13 H new ATOM 0 HG2 ARG A 5 -5.790 20.692 0.987 1.00 75.05 H new ATOM 0 HG3 ARG A 5 -7.249 21.643 0.794 1.00 75.05 H new ATOM 0 HD2 ARG A 5 -7.934 21.117 3.108 1.00 42.12 H new ATOM 0 HD3 ARG A 5 -6.532 20.085 3.311 1.00 42.12 H new ATOM 0 HE ARG A 5 -5.624 22.678 2.522 1.00 2.30 H new ATOM 0 HH11 ARG A 5 -7.167 21.014 5.227 1.00 71.52 H new ATOM 0 HH12 ARG A 5 -6.508 22.124 6.433 1.00 71.52 H new ATOM 0 HH21 ARG A 5 -4.781 24.097 4.078 1.00 71.20 H new ATOM 0 HH22 ARG A 5 -5.164 23.862 5.787 1.00 71.20 H new ATOM 105 N GLU A 6 -9.172 17.572 -1.050 1.00 63.43 N ATOM 106 CA GLU A 6 -9.746 16.253 -1.298 1.00 54.51 C ATOM 107 C GLU A 6 -9.034 15.560 -2.456 1.00 51.03 C ATOM 108 O GLU A 6 -8.977 14.332 -2.516 1.00 2.12 O ATOM 109 CB GLU A 6 -11.241 16.372 -1.601 1.00 11.55 C ATOM 110 CG GLU A 6 -12.132 15.911 -0.461 1.00 71.44 C ATOM 111 CD GLU A 6 -12.489 17.035 0.492 1.00 44.42 C ATOM 112 OE1 GLU A 6 -11.649 17.939 0.685 1.00 4.33 O ATOM 113 OE2 GLU A 6 -13.610 17.013 1.044 1.00 33.04 O ATOM 0 H GLU A 6 -9.850 18.334 -1.047 1.00 63.43 H new ATOM 0 HA GLU A 6 -9.612 15.651 -0.399 1.00 54.51 H new ATOM 0 HB2 GLU A 6 -11.474 17.411 -1.836 1.00 11.55 H new ATOM 0 HB3 GLU A 6 -11.471 15.785 -2.490 1.00 11.55 H new ATOM 0 HG2 GLU A 6 -13.047 15.483 -0.870 1.00 71.44 H new ATOM 0 HG3 GLU A 6 -11.628 15.118 0.091 1.00 71.44 H new ATOM 121 N GLU A 7 -8.494 16.356 -3.373 1.00 14.22 N ATOM 122 CA GLU A 7 -7.787 15.819 -4.529 1.00 11.34 C ATOM 123 C GLU A 7 -6.689 14.853 -4.095 1.00 20.33 C ATOM 124 O GLU A 7 -6.405 13.870 -4.780 1.00 1.13 O ATOM 125 CB GLU A 7 -7.184 16.954 -5.360 1.00 60.12 C ATOM 126 CG GLU A 7 -8.209 17.722 -6.176 1.00 1.40 C ATOM 127 CD GLU A 7 -7.612 18.352 -7.419 1.00 15.11 C ATOM 128 OE1 GLU A 7 -6.617 19.098 -7.286 1.00 25.31 O ATOM 129 OE2 GLU A 7 -8.138 18.102 -8.524 1.00 53.10 O ATOM 0 H GLU A 7 -8.533 17.375 -3.338 1.00 14.22 H new ATOM 0 HA GLU A 7 -8.506 15.274 -5.140 1.00 11.34 H new ATOM 0 HB2 GLU A 7 -6.669 17.647 -4.694 1.00 60.12 H new ATOM 0 HB3 GLU A 7 -6.432 16.541 -6.033 1.00 60.12 H new ATOM 0 HG2 GLU A 7 -9.015 17.048 -6.466 1.00 1.40 H new ATOM 0 HG3 GLU A 7 -8.652 18.501 -5.555 1.00 1.40 H new ATOM 137 N ALA A 8 -6.074 15.139 -2.953 1.00 52.32 N ATOM 138 CA ALA A 8 -5.008 14.297 -2.426 1.00 22.40 C ATOM 139 C ALA A 8 -5.572 13.022 -1.806 1.00 14.32 C ATOM 140 O ALA A 8 -4.897 11.995 -1.754 1.00 24.14 O ATOM 141 CB ALA A 8 -4.185 15.065 -1.402 1.00 33.34 C ATOM 0 H ALA A 8 -6.296 15.949 -2.374 1.00 52.32 H new ATOM 0 HA ALA A 8 -4.360 14.012 -3.255 1.00 22.40 H new ATOM 0 HB1 ALA A 8 -3.392 14.423 -1.017 1.00 33.34 H new ATOM 0 HB2 ALA A 8 -3.744 15.943 -1.874 1.00 33.34 H new ATOM 0 HB3 ALA A 8 -4.828 15.380 -0.580 1.00 33.34 H new ATOM 147 N ALA A 9 -6.812 13.098 -1.335 1.00 31.41 N ATOM 148 CA ALA A 9 -7.467 11.951 -0.719 1.00 31.31 C ATOM 149 C ALA A 9 -7.507 10.763 -1.676 1.00 52.02 C ATOM 150 O ALA A 9 -7.267 9.623 -1.277 1.00 3.54 O ATOM 151 CB ALA A 9 -8.874 12.320 -0.274 1.00 40.41 C ATOM 0 H ALA A 9 -7.383 13.942 -1.368 1.00 31.41 H new ATOM 0 HA ALA A 9 -6.887 11.661 0.157 1.00 31.31 H new ATOM 0 HB1 ALA A 9 -9.350 11.453 0.184 1.00 40.41 H new ATOM 0 HB2 ALA A 9 -8.825 13.132 0.451 1.00 40.41 H new ATOM 0 HB3 ALA A 9 -9.457 12.640 -1.138 1.00 40.41 H new ATOM 157 N LYS A 10 -7.813 11.038 -2.939 1.00 22.34 N ATOM 158 CA LYS A 10 -7.885 9.993 -3.954 1.00 40.35 C ATOM 159 C LYS A 10 -6.577 9.214 -4.025 1.00 21.33 C ATOM 160 O LYS A 10 -6.573 8.007 -4.275 1.00 50.21 O ATOM 161 CB LYS A 10 -8.204 10.603 -5.320 1.00 22.13 C ATOM 162 CG LYS A 10 -9.377 11.567 -5.298 1.00 2.22 C ATOM 163 CD LYS A 10 -9.857 11.895 -6.702 1.00 53.24 C ATOM 164 CE LYS A 10 -11.350 12.181 -6.728 1.00 53.23 C ATOM 165 NZ LYS A 10 -12.130 11.015 -7.229 1.00 14.22 N ATOM 0 H LYS A 10 -8.015 11.976 -3.285 1.00 22.34 H new ATOM 0 HA LYS A 10 -8.682 9.304 -3.676 1.00 40.35 H new ATOM 0 HB2 LYS A 10 -7.322 11.126 -5.690 1.00 22.13 H new ATOM 0 HB3 LYS A 10 -8.418 9.800 -6.026 1.00 22.13 H new ATOM 0 HG2 LYS A 10 -10.196 11.132 -4.725 1.00 2.22 H new ATOM 0 HG3 LYS A 10 -9.085 12.485 -4.789 1.00 2.22 H new ATOM 0 HD2 LYS A 10 -9.313 12.760 -7.081 1.00 53.24 H new ATOM 0 HD3 LYS A 10 -9.633 11.062 -7.368 1.00 53.24 H new ATOM 0 HE2 LYS A 10 -11.688 12.440 -5.724 1.00 53.23 H new ATOM 0 HE3 LYS A 10 -11.543 13.046 -7.362 1.00 53.23 H new ATOM 0 HZ1 LYS A 10 -13.143 11.250 -7.231 1.00 14.22 H new ATOM 0 HZ2 LYS A 10 -11.826 10.784 -8.196 1.00 14.22 H new ATOM 0 HZ3 LYS A 10 -11.966 10.196 -6.610 1.00 14.22 H new ATOM 179 N LEU A 11 -5.466 9.909 -3.804 1.00 62.44 N ATOM 180 CA LEU A 11 -4.150 9.280 -3.842 1.00 4.42 C ATOM 181 C LEU A 11 -4.108 8.049 -2.943 1.00 14.44 C ATOM 182 O LEU A 11 -3.577 7.006 -3.325 1.00 1.51 O ATOM 183 CB LEU A 11 -3.075 10.279 -3.410 1.00 1.34 C ATOM 184 CG LEU A 11 -3.082 11.628 -4.130 1.00 25.11 C ATOM 185 CD1 LEU A 11 -1.890 12.469 -3.701 1.00 64.10 C ATOM 186 CD2 LEU A 11 -3.080 11.426 -5.639 1.00 15.21 C ATOM 0 H LEU A 11 -5.450 10.908 -3.597 1.00 62.44 H new ATOM 0 HA LEU A 11 -3.954 8.964 -4.867 1.00 4.42 H new ATOM 0 HB2 LEU A 11 -3.185 10.460 -2.341 1.00 1.34 H new ATOM 0 HB3 LEU A 11 -2.099 9.817 -3.556 1.00 1.34 H new ATOM 0 HG LEU A 11 -3.993 12.160 -3.855 1.00 25.11 H new ATOM 0 HD11 LEU A 11 -1.912 13.425 -4.224 1.00 64.10 H new ATOM 0 HD12 LEU A 11 -1.935 12.642 -2.626 1.00 64.10 H new ATOM 0 HD13 LEU A 11 -0.967 11.943 -3.945 1.00 64.10 H new ATOM 0 HD21 LEU A 11 -3.085 12.396 -6.136 1.00 15.21 H new ATOM 0 HD22 LEU A 11 -2.187 10.873 -5.931 1.00 15.21 H new ATOM 0 HD23 LEU A 11 -3.967 10.864 -5.932 1.00 15.21 H new ATOM 198 N PHE A 12 -4.672 8.177 -1.747 1.00 64.20 N ATOM 199 CA PHE A 12 -4.701 7.074 -0.793 1.00 11.13 C ATOM 200 C PHE A 12 -5.720 6.018 -1.212 1.00 12.34 C ATOM 201 O PHE A 12 -5.606 4.850 -0.844 1.00 74.31 O ATOM 202 CB PHE A 12 -5.032 7.592 0.608 1.00 0.05 C ATOM 203 CG PHE A 12 -3.972 8.486 1.183 1.00 40.32 C ATOM 204 CD1 PHE A 12 -2.629 8.173 1.041 1.00 43.02 C ATOM 205 CD2 PHE A 12 -4.317 9.642 1.864 1.00 54.35 C ATOM 206 CE1 PHE A 12 -1.652 8.994 1.569 1.00 54.14 C ATOM 207 CE2 PHE A 12 -3.344 10.469 2.395 1.00 43.11 C ATOM 208 CZ PHE A 12 -2.010 10.145 2.246 1.00 70.51 C ATOM 0 H PHE A 12 -5.115 9.033 -1.415 1.00 64.20 H new ATOM 0 HA PHE A 12 -3.713 6.614 -0.778 1.00 11.13 H new ATOM 0 HB2 PHE A 12 -5.975 8.137 0.571 1.00 0.05 H new ATOM 0 HB3 PHE A 12 -5.180 6.743 1.275 1.00 0.05 H new ATOM 0 HD1 PHE A 12 -2.343 7.276 0.511 1.00 43.02 H new ATOM 0 HD2 PHE A 12 -5.359 9.901 1.982 1.00 54.35 H new ATOM 0 HE1 PHE A 12 -0.609 8.737 1.453 1.00 54.14 H new ATOM 0 HE2 PHE A 12 -3.627 11.366 2.925 1.00 43.11 H new ATOM 0 HZ PHE A 12 -1.248 10.790 2.658 1.00 70.51 H new ATOM 218 N GLU A 13 -6.716 6.441 -1.984 1.00 24.24 N ATOM 219 CA GLU A 13 -7.756 5.532 -2.453 1.00 74.41 C ATOM 220 C GLU A 13 -7.147 4.320 -3.152 1.00 74.51 C ATOM 221 O GLU A 13 -7.668 3.209 -3.057 1.00 75.12 O ATOM 222 CB GLU A 13 -8.708 6.258 -3.405 1.00 51.34 C ATOM 223 CG GLU A 13 -10.176 5.971 -3.136 1.00 13.20 C ATOM 224 CD GLU A 13 -10.813 5.124 -4.220 1.00 43.54 C ATOM 225 OE1 GLU A 13 -11.868 5.534 -4.749 1.00 12.54 O ATOM 226 OE2 GLU A 13 -10.259 4.051 -4.539 1.00 52.25 O ATOM 0 H GLU A 13 -6.825 7.405 -2.298 1.00 24.24 H new ATOM 0 HA GLU A 13 -8.316 5.185 -1.585 1.00 74.41 H new ATOM 0 HB2 GLU A 13 -8.537 7.332 -3.328 1.00 51.34 H new ATOM 0 HB3 GLU A 13 -8.472 5.971 -4.430 1.00 51.34 H new ATOM 0 HG2 GLU A 13 -10.273 5.461 -2.178 1.00 13.20 H new ATOM 0 HG3 GLU A 13 -10.717 6.913 -3.052 1.00 13.20 H new ATOM 234 N GLU A 14 -6.039 4.544 -3.853 1.00 24.31 N ATOM 235 CA GLU A 14 -5.360 3.471 -4.569 1.00 33.11 C ATOM 236 C GLU A 14 -4.834 2.417 -3.598 1.00 1.41 C ATOM 237 O GLU A 14 -4.801 1.228 -3.914 1.00 42.02 O ATOM 238 CB GLU A 14 -4.206 4.034 -5.401 1.00 22.24 C ATOM 239 CG GLU A 14 -4.575 5.282 -6.186 1.00 4.22 C ATOM 240 CD GLU A 14 -3.733 5.455 -7.436 1.00 44.12 C ATOM 241 OE1 GLU A 14 -3.206 6.568 -7.646 1.00 71.03 O ATOM 242 OE2 GLU A 14 -3.602 4.479 -8.203 1.00 50.42 O ATOM 0 H GLU A 14 -5.594 5.458 -3.940 1.00 24.31 H new ATOM 0 HA GLU A 14 -6.082 2.999 -5.235 1.00 33.11 H new ATOM 0 HB2 GLU A 14 -3.371 4.264 -4.740 1.00 22.24 H new ATOM 0 HB3 GLU A 14 -3.861 3.267 -6.095 1.00 22.24 H new ATOM 0 HG2 GLU A 14 -5.627 5.233 -6.465 1.00 4.22 H new ATOM 0 HG3 GLU A 14 -4.455 6.157 -5.547 1.00 4.22 H new ATOM 250 N TRP A 15 -4.422 2.864 -2.417 1.00 61.41 N ATOM 251 CA TRP A 15 -3.896 1.959 -1.399 1.00 4.40 C ATOM 252 C TRP A 15 -4.977 0.999 -0.914 1.00 23.15 C ATOM 253 O TRP A 15 -4.753 -0.209 -0.824 1.00 41.32 O ATOM 254 CB TRP A 15 -3.338 2.756 -0.220 1.00 72.13 C ATOM 255 CG TRP A 15 -2.292 2.014 0.556 1.00 53.51 C ATOM 256 CD1 TRP A 15 -2.006 0.681 0.480 1.00 64.33 C ATOM 257 CD2 TRP A 15 -1.393 2.563 1.526 1.00 42.14 C ATOM 258 NE1 TRP A 15 -0.986 0.368 1.344 1.00 31.24 N ATOM 259 CE2 TRP A 15 -0.592 1.506 1.997 1.00 14.45 C ATOM 260 CE3 TRP A 15 -1.187 3.846 2.041 1.00 64.13 C ATOM 261 CZ2 TRP A 15 0.398 1.693 2.958 1.00 11.11 C ATOM 262 CZ3 TRP A 15 -0.205 4.031 2.995 1.00 21.31 C ATOM 263 CH2 TRP A 15 0.579 2.960 3.445 1.00 64.24 C ATOM 0 H TRP A 15 -4.442 3.846 -2.140 1.00 61.41 H new ATOM 0 HA TRP A 15 -3.092 1.375 -1.847 1.00 4.40 H new ATOM 0 HB2 TRP A 15 -2.912 3.689 -0.590 1.00 72.13 H new ATOM 0 HB3 TRP A 15 -4.156 3.022 0.449 1.00 72.13 H new ATOM 0 HD1 TRP A 15 -2.509 -0.024 -0.165 1.00 64.33 H new ATOM 0 HE1 TRP A 15 -0.586 -0.561 1.478 1.00 31.24 H new ATOM 0 HE3 TRP A 15 -1.785 4.678 1.699 1.00 64.13 H new ATOM 0 HZ2 TRP A 15 1.002 0.868 3.307 1.00 11.11 H new ATOM 0 HZ3 TRP A 15 -0.039 5.018 3.401 1.00 21.31 H new ATOM 0 HH2 TRP A 15 1.340 3.137 4.190 1.00 64.24 H new ATOM 274 N LYS A 16 -6.148 1.543 -0.603 1.00 63.45 N ATOM 275 CA LYS A 16 -7.265 0.734 -0.127 1.00 24.54 C ATOM 276 C LYS A 16 -7.907 -0.036 -1.277 1.00 21.43 C ATOM 277 O LYS A 16 -8.488 -1.103 -1.075 1.00 21.43 O ATOM 278 CB LYS A 16 -8.310 1.621 0.553 1.00 64.43 C ATOM 279 CG LYS A 16 -8.770 2.787 -0.304 1.00 34.21 C ATOM 280 CD LYS A 16 -9.975 3.485 0.304 1.00 3.11 C ATOM 281 CE LYS A 16 -11.245 3.186 -0.479 1.00 11.41 C ATOM 282 NZ LYS A 16 -12.248 4.279 -0.347 1.00 20.51 N ATOM 0 H LYS A 16 -6.349 2.541 -0.672 1.00 63.45 H new ATOM 0 HA LYS A 16 -6.880 0.017 0.597 1.00 24.54 H new ATOM 0 HB2 LYS A 16 -9.175 1.012 0.817 1.00 64.43 H new ATOM 0 HB3 LYS A 16 -7.896 2.007 1.484 1.00 64.43 H new ATOM 0 HG2 LYS A 16 -7.954 3.501 -0.417 1.00 34.21 H new ATOM 0 HG3 LYS A 16 -9.021 2.429 -1.302 1.00 34.21 H new ATOM 0 HD2 LYS A 16 -10.100 3.164 1.338 1.00 3.11 H new ATOM 0 HD3 LYS A 16 -9.803 4.561 0.323 1.00 3.11 H new ATOM 0 HE2 LYS A 16 -10.998 3.045 -1.531 1.00 11.41 H new ATOM 0 HE3 LYS A 16 -11.678 2.251 -0.125 1.00 11.41 H new ATOM 0 HZ1 LYS A 16 -13.099 4.038 -0.895 1.00 20.51 H new ATOM 0 HZ2 LYS A 16 -12.503 4.397 0.654 1.00 20.51 H new ATOM 0 HZ3 LYS A 16 -11.844 5.167 -0.708 1.00 20.51 H new ATOM 296 N LYS A 17 -7.799 0.510 -2.483 1.00 11.41 N ATOM 297 CA LYS A 17 -8.366 -0.126 -3.665 1.00 0.43 C ATOM 298 C LYS A 17 -7.519 -1.317 -4.102 1.00 32.43 C ATOM 299 O LYS A 17 -8.006 -2.446 -4.172 1.00 2.23 O ATOM 300 CB LYS A 17 -8.473 0.883 -4.811 1.00 12.33 C ATOM 301 CG LYS A 17 -9.373 0.423 -5.945 1.00 54.24 C ATOM 302 CD LYS A 17 -8.565 -0.088 -7.126 1.00 25.20 C ATOM 303 CE LYS A 17 -9.451 -0.347 -8.335 1.00 14.24 C ATOM 304 NZ LYS A 17 -9.777 0.910 -9.064 1.00 51.23 N ATOM 0 H LYS A 17 -7.323 1.393 -2.667 1.00 11.41 H new ATOM 0 HA LYS A 17 -9.363 -0.485 -3.410 1.00 0.43 H new ATOM 0 HB2 LYS A 17 -8.851 1.827 -4.419 1.00 12.33 H new ATOM 0 HB3 LYS A 17 -7.476 1.078 -5.206 1.00 12.33 H new ATOM 0 HG2 LYS A 17 -10.036 -0.365 -5.588 1.00 54.24 H new ATOM 0 HG3 LYS A 17 -10.006 1.250 -6.267 1.00 54.24 H new ATOM 0 HD2 LYS A 17 -7.797 0.640 -7.386 1.00 25.20 H new ATOM 0 HD3 LYS A 17 -8.051 -1.008 -6.846 1.00 25.20 H new ATOM 0 HE2 LYS A 17 -8.949 -1.039 -9.011 1.00 14.24 H new ATOM 0 HE3 LYS A 17 -10.374 -0.829 -8.012 1.00 14.24 H new ATOM 0 HZ1 LYS A 17 -10.382 0.691 -9.881 1.00 51.23 H new ATOM 0 HZ2 LYS A 17 -10.278 1.561 -8.427 1.00 51.23 H new ATOM 0 HZ3 LYS A 17 -8.898 1.358 -9.394 1.00 51.23 H new ATOM 318 N LEU A 18 -6.248 -1.060 -4.392 1.00 50.33 N ATOM 319 CA LEU A 18 -5.333 -2.111 -4.820 1.00 34.21 C ATOM 320 C LEU A 18 -5.287 -3.243 -3.797 1.00 50.31 C ATOM 321 O LEU A 18 -4.990 -4.388 -4.137 1.00 52.24 O ATOM 322 CB LEU A 18 -3.929 -1.539 -5.028 1.00 74.33 C ATOM 323 CG LEU A 18 -3.662 -0.894 -6.387 1.00 1.11 C ATOM 324 CD1 LEU A 18 -2.253 -0.321 -6.440 1.00 64.02 C ATOM 325 CD2 LEU A 18 -3.871 -1.903 -7.507 1.00 20.21 C ATOM 0 H LEU A 18 -5.828 -0.132 -4.338 1.00 50.33 H new ATOM 0 HA LEU A 18 -5.698 -2.514 -5.765 1.00 34.21 H new ATOM 0 HB2 LEU A 18 -3.743 -0.796 -4.253 1.00 74.33 H new ATOM 0 HB3 LEU A 18 -3.206 -2.341 -4.881 1.00 74.33 H new ATOM 0 HG LEU A 18 -4.370 -0.077 -6.524 1.00 1.11 H new ATOM 0 HD11 LEU A 18 -2.082 0.134 -7.416 1.00 64.02 H new ATOM 0 HD12 LEU A 18 -2.138 0.434 -5.662 1.00 64.02 H new ATOM 0 HD13 LEU A 18 -1.529 -1.120 -6.280 1.00 64.02 H new ATOM 0 HD21 LEU A 18 -3.676 -1.426 -8.468 1.00 20.21 H new ATOM 0 HD22 LEU A 18 -3.188 -2.742 -7.373 1.00 20.21 H new ATOM 0 HD23 LEU A 18 -4.899 -2.265 -7.483 1.00 20.21 H new ATOM 337 N ALA A 19 -5.585 -2.913 -2.545 1.00 15.11 N ATOM 338 CA ALA A 19 -5.582 -3.902 -1.473 1.00 2.30 C ATOM 339 C ALA A 19 -6.768 -4.852 -1.601 1.00 72.15 C ATOM 340 O ALA A 19 -6.716 -5.989 -1.131 1.00 50.33 O ATOM 341 CB ALA A 19 -5.599 -3.212 -0.118 1.00 53.31 C ATOM 0 H ALA A 19 -5.832 -1.969 -2.248 1.00 15.11 H new ATOM 0 HA ALA A 19 -4.668 -4.490 -1.556 1.00 2.30 H new ATOM 0 HB1 ALA A 19 -5.597 -3.962 0.673 1.00 53.31 H new ATOM 0 HB2 ALA A 19 -4.717 -2.580 -0.021 1.00 53.31 H new ATOM 0 HB3 ALA A 19 -6.496 -2.599 -0.033 1.00 53.31 H new ATOM 347 N GLU A 20 -7.834 -4.379 -2.237 1.00 3.34 N ATOM 348 CA GLU A 20 -9.033 -5.187 -2.423 1.00 2.23 C ATOM 349 C GLU A 20 -8.804 -6.265 -3.480 1.00 72.53 C ATOM 350 O GLU A 20 -9.104 -7.438 -3.258 1.00 73.21 O ATOM 351 CB GLU A 20 -10.214 -4.303 -2.830 1.00 1.43 C ATOM 352 CG GLU A 20 -10.411 -3.098 -1.926 1.00 12.44 C ATOM 353 CD GLU A 20 -11.794 -3.053 -1.307 1.00 75.55 C ATOM 354 OE1 GLU A 20 -12.601 -2.194 -1.720 1.00 53.03 O ATOM 355 OE2 GLU A 20 -12.069 -3.876 -0.409 1.00 25.03 O ATOM 0 H GLU A 20 -7.892 -3.440 -2.632 1.00 3.34 H new ATOM 0 HA GLU A 20 -9.262 -5.673 -1.475 1.00 2.23 H new ATOM 0 HB2 GLU A 20 -10.064 -3.959 -3.853 1.00 1.43 H new ATOM 0 HB3 GLU A 20 -11.124 -4.903 -2.826 1.00 1.43 H new ATOM 0 HG2 GLU A 20 -9.663 -3.117 -1.134 1.00 12.44 H new ATOM 0 HG3 GLU A 20 -10.244 -2.187 -2.500 1.00 12.44 H new ATOM 363 N GLU A 21 -8.271 -5.857 -4.627 1.00 62.23 N ATOM 364 CA GLU A 21 -8.004 -6.788 -5.717 1.00 33.31 C ATOM 365 C GLU A 21 -6.806 -7.677 -5.392 1.00 42.44 C ATOM 366 O GLU A 21 -6.881 -8.900 -5.495 1.00 64.22 O ATOM 367 CB GLU A 21 -7.748 -6.024 -7.018 1.00 11.01 C ATOM 368 CG GLU A 21 -8.834 -5.017 -7.357 1.00 63.12 C ATOM 369 CD GLU A 21 -9.619 -5.401 -8.596 1.00 33.23 C ATOM 370 OE1 GLU A 21 -9.778 -4.540 -9.487 1.00 63.40 O ATOM 371 OE2 GLU A 21 -10.073 -6.561 -8.676 1.00 24.23 O ATOM 0 H GLU A 21 -8.016 -4.890 -4.826 1.00 62.23 H new ATOM 0 HA GLU A 21 -8.882 -7.422 -5.843 1.00 33.31 H new ATOM 0 HB2 GLU A 21 -6.793 -5.504 -6.942 1.00 11.01 H new ATOM 0 HB3 GLU A 21 -7.658 -6.738 -7.837 1.00 11.01 H new ATOM 0 HG2 GLU A 21 -9.517 -4.927 -6.512 1.00 63.12 H new ATOM 0 HG3 GLU A 21 -8.381 -4.037 -7.507 1.00 63.12 H new ATOM 379 N ALA A 22 -5.702 -7.051 -5.000 1.00 10.31 N ATOM 380 CA ALA A 22 -4.489 -7.783 -4.659 1.00 55.51 C ATOM 381 C ALA A 22 -4.768 -8.845 -3.601 1.00 11.21 C ATOM 382 O ALA A 22 -4.114 -9.887 -3.567 1.00 61.43 O ATOM 383 CB ALA A 22 -3.411 -6.823 -4.174 1.00 65.11 C ATOM 0 H ALA A 22 -5.623 -6.038 -4.911 1.00 10.31 H new ATOM 0 HA ALA A 22 -4.134 -8.287 -5.558 1.00 55.51 H new ATOM 0 HB1 ALA A 22 -2.511 -7.384 -3.923 1.00 65.11 H new ATOM 0 HB2 ALA A 22 -3.183 -6.104 -4.961 1.00 65.11 H new ATOM 0 HB3 ALA A 22 -3.767 -6.293 -3.290 1.00 65.11 H new ATOM 389 N ALA A 23 -5.742 -8.574 -2.739 1.00 50.43 N ATOM 390 CA ALA A 23 -6.109 -9.507 -1.682 1.00 74.14 C ATOM 391 C ALA A 23 -6.807 -10.737 -2.252 1.00 41.21 C ATOM 392 O ALA A 23 -6.395 -11.870 -2.001 1.00 52.41 O ATOM 393 CB ALA A 23 -7.000 -8.819 -0.657 1.00 35.50 C ATOM 0 H ALA A 23 -6.292 -7.715 -2.752 1.00 50.43 H new ATOM 0 HA ALA A 23 -5.194 -9.837 -1.189 1.00 74.14 H new ATOM 0 HB1 ALA A 23 -7.267 -9.528 0.127 1.00 35.50 H new ATOM 0 HB2 ALA A 23 -6.466 -7.976 -0.218 1.00 35.50 H new ATOM 0 HB3 ALA A 23 -7.906 -8.460 -1.145 1.00 35.50 H new ATOM 399 N LYS A 24 -7.866 -10.507 -3.020 1.00 10.32 N ATOM 400 CA LYS A 24 -8.622 -11.596 -3.628 1.00 62.34 C ATOM 401 C LYS A 24 -7.760 -12.369 -4.620 1.00 43.20 C ATOM 402 O LYS A 24 -7.906 -13.583 -4.771 1.00 3.33 O ATOM 403 CB LYS A 24 -9.865 -11.050 -4.333 1.00 45.22 C ATOM 404 CG LYS A 24 -9.558 -9.979 -5.366 1.00 72.23 C ATOM 405 CD LYS A 24 -10.821 -9.491 -6.056 1.00 33.03 C ATOM 406 CE LYS A 24 -11.089 -10.263 -7.339 1.00 72.12 C ATOM 407 NZ LYS A 24 -10.218 -9.802 -8.456 1.00 53.55 N ATOM 0 H LYS A 24 -8.221 -9.576 -3.237 1.00 10.32 H new ATOM 0 HA LYS A 24 -8.932 -12.277 -2.835 1.00 62.34 H new ATOM 0 HB2 LYS A 24 -10.387 -11.874 -4.820 1.00 45.22 H new ATOM 0 HB3 LYS A 24 -10.544 -10.639 -3.587 1.00 45.22 H new ATOM 0 HG2 LYS A 24 -9.058 -9.139 -4.883 1.00 72.23 H new ATOM 0 HG3 LYS A 24 -8.867 -10.377 -6.109 1.00 72.23 H new ATOM 0 HD2 LYS A 24 -11.670 -9.599 -5.381 1.00 33.03 H new ATOM 0 HD3 LYS A 24 -10.726 -8.429 -6.282 1.00 33.03 H new ATOM 0 HE2 LYS A 24 -10.924 -11.326 -7.164 1.00 72.12 H new ATOM 0 HE3 LYS A 24 -12.135 -10.145 -7.622 1.00 72.12 H new ATOM 0 HZ1 LYS A 24 -10.573 -10.187 -9.355 1.00 53.55 H new ATOM 0 HZ2 LYS A 24 -10.227 -8.763 -8.497 1.00 53.55 H new ATOM 0 HZ3 LYS A 24 -9.245 -10.134 -8.297 1.00 53.55 H new ATOM 421 N LEU A 25 -6.860 -11.660 -5.293 1.00 24.22 N ATOM 422 CA LEU A 25 -5.972 -12.281 -6.270 1.00 42.11 C ATOM 423 C LEU A 25 -4.846 -13.041 -5.578 1.00 20.41 C ATOM 424 O LEU A 25 -4.465 -14.132 -6.005 1.00 54.11 O ATOM 425 CB LEU A 25 -5.388 -11.219 -7.204 1.00 13.14 C ATOM 426 CG LEU A 25 -6.015 -11.131 -8.596 1.00 74.33 C ATOM 427 CD1 LEU A 25 -5.324 -10.060 -9.426 1.00 75.21 C ATOM 428 CD2 LEU A 25 -5.946 -12.479 -9.298 1.00 70.02 C ATOM 0 H LEU A 25 -6.726 -10.655 -5.180 1.00 24.22 H new ATOM 0 HA LEU A 25 -6.556 -12.990 -6.856 1.00 42.11 H new ATOM 0 HB2 LEU A 25 -5.485 -10.246 -6.722 1.00 13.14 H new ATOM 0 HB3 LEU A 25 -4.321 -11.412 -7.319 1.00 13.14 H new ATOM 0 HG LEU A 25 -7.064 -10.855 -8.484 1.00 74.33 H new ATOM 0 HD11 LEU A 25 -5.784 -10.012 -10.413 1.00 75.21 H new ATOM 0 HD12 LEU A 25 -5.425 -9.094 -8.931 1.00 75.21 H new ATOM 0 HD13 LEU A 25 -4.267 -10.305 -9.529 1.00 75.21 H new ATOM 0 HD21 LEU A 25 -6.397 -12.398 -10.287 1.00 70.02 H new ATOM 0 HD22 LEU A 25 -4.904 -12.784 -9.398 1.00 70.02 H new ATOM 0 HD23 LEU A 25 -6.487 -13.222 -8.713 1.00 70.02 H new ATOM 440 N LEU A 26 -4.319 -12.460 -4.506 1.00 2.02 N ATOM 441 CA LEU A 26 -3.237 -13.084 -3.752 1.00 52.12 C ATOM 442 C LEU A 26 -3.582 -14.527 -3.398 1.00 32.43 C ATOM 443 O LEU A 26 -2.787 -15.438 -3.629 1.00 73.14 O ATOM 444 CB LEU A 26 -2.954 -12.289 -2.476 1.00 2.32 C ATOM 445 CG LEU A 26 -1.794 -11.295 -2.548 1.00 54.41 C ATOM 446 CD1 LEU A 26 -1.947 -10.218 -1.486 1.00 73.31 C ATOM 447 CD2 LEU A 26 -0.463 -12.016 -2.393 1.00 73.51 C ATOM 0 H LEU A 26 -4.623 -11.558 -4.139 1.00 2.02 H new ATOM 0 HA LEU A 26 -2.345 -13.086 -4.378 1.00 52.12 H new ATOM 0 HB2 LEU A 26 -3.857 -11.743 -2.204 1.00 2.32 H new ATOM 0 HB3 LEU A 26 -2.752 -12.994 -1.670 1.00 2.32 H new ATOM 0 HG LEU A 26 -1.812 -10.815 -3.527 1.00 54.41 H new ATOM 0 HD11 LEU A 26 -1.112 -9.520 -1.553 1.00 73.31 H new ATOM 0 HD12 LEU A 26 -2.882 -9.681 -1.644 1.00 73.31 H new ATOM 0 HD13 LEU A 26 -1.956 -10.679 -0.499 1.00 73.31 H new ATOM 0 HD21 LEU A 26 0.351 -11.293 -2.447 1.00 73.51 H new ATOM 0 HD22 LEU A 26 -0.434 -12.524 -1.429 1.00 73.51 H new ATOM 0 HD23 LEU A 26 -0.351 -12.749 -3.192 1.00 73.51 H new ATOM 459 N GLU A 27 -4.772 -14.727 -2.841 1.00 71.53 N ATOM 460 CA GLU A 27 -5.221 -16.061 -2.457 1.00 53.40 C ATOM 461 C GLU A 27 -5.983 -16.726 -3.598 1.00 23.03 C ATOM 462 O GLU A 27 -6.637 -17.751 -3.409 1.00 33.24 O ATOM 463 CB GLU A 27 -6.107 -15.986 -1.213 1.00 53.03 C ATOM 464 CG GLU A 27 -5.551 -15.086 -0.122 1.00 40.20 C ATOM 465 CD GLU A 27 -6.401 -15.097 1.134 1.00 31.13 C ATOM 466 OE1 GLU A 27 -7.565 -14.652 1.066 1.00 64.43 O ATOM 467 OE2 GLU A 27 -5.900 -15.551 2.185 1.00 45.02 O ATOM 0 H GLU A 27 -5.442 -13.983 -2.646 1.00 71.53 H new ATOM 0 HA GLU A 27 -4.341 -16.663 -2.231 1.00 53.40 H new ATOM 0 HB2 GLU A 27 -7.094 -15.625 -1.502 1.00 53.03 H new ATOM 0 HB3 GLU A 27 -6.240 -16.990 -0.811 1.00 53.03 H new ATOM 0 HG2 GLU A 27 -4.539 -15.405 0.126 1.00 40.20 H new ATOM 0 HG3 GLU A 27 -5.480 -14.066 -0.499 1.00 40.20 H new ATOM 475 N GLY A 28 -5.894 -16.135 -4.787 1.00 63.35 N ATOM 476 CA GLY A 28 -6.581 -16.684 -5.941 1.00 2.42 C ATOM 477 C GLY A 28 -6.157 -18.106 -6.246 1.00 33.52 C ATOM 478 O GLY A 28 -6.823 -18.813 -7.001 1.00 44.31 O ATOM 0 H GLY A 28 -5.359 -15.286 -4.971 1.00 63.35 H new ATOM 0 HA2 GLY A 28 -7.656 -16.659 -5.766 1.00 2.42 H new ATOM 0 HA3 GLY A 28 -6.385 -16.055 -6.810 1.00 2.42 H new ATOM 482 N GLY A 29 -5.042 -18.529 -5.657 1.00 32.24 N ATOM 483 CA GLY A 29 -4.547 -19.875 -5.884 1.00 13.34 C ATOM 484 C GLY A 29 -3.039 -19.923 -6.022 1.00 12.24 C ATOM 485 O GLY A 29 -2.513 -20.504 -6.970 1.00 21.33 O ATOM 0 H GLY A 29 -4.473 -17.964 -5.027 1.00 32.24 H new ATOM 0 HA2 GLY A 29 -4.854 -20.516 -5.057 1.00 13.34 H new ATOM 0 HA3 GLY A 29 -5.004 -20.279 -6.787 1.00 13.34 H new ATOM 489 N GLY A 30 -2.339 -19.306 -5.074 1.00 62.03 N ATOM 490 CA GLY A 30 -0.888 -19.291 -5.112 1.00 3.34 C ATOM 491 C GLY A 30 -0.274 -20.411 -4.297 1.00 11.22 C ATOM 492 O GLY A 30 0.652 -20.186 -3.519 1.00 61.24 O ATOM 0 H GLY A 30 -2.751 -18.816 -4.280 1.00 62.03 H new ATOM 0 HA2 GLY A 30 -0.554 -19.374 -6.146 1.00 3.34 H new ATOM 0 HA3 GLY A 30 -0.528 -18.333 -4.736 1.00 3.34 H new ATOM 496 N GLY A 31 -0.792 -21.623 -4.474 1.00 64.35 N ATOM 497 CA GLY A 31 -0.278 -22.764 -3.740 1.00 75.43 C ATOM 498 C GLY A 31 -0.227 -22.517 -2.244 1.00 44.30 C ATOM 499 O GLY A 31 -0.803 -21.549 -1.748 1.00 10.14 O ATOM 0 H GLY A 31 -1.559 -21.835 -5.113 1.00 64.35 H new ATOM 0 HA2 GLY A 31 -0.905 -23.633 -3.940 1.00 75.43 H new ATOM 0 HA3 GLY A 31 0.723 -23.003 -4.100 1.00 75.43 H new ATOM 503 N GLY A 32 0.462 -23.395 -1.524 1.00 32.30 N ATOM 504 CA GLY A 32 0.572 -23.251 -0.084 1.00 11.30 C ATOM 505 C GLY A 32 2.012 -23.253 0.391 1.00 65.34 C ATOM 506 O GLY A 32 2.754 -24.202 0.139 1.00 74.13 O ATOM 0 H GLY A 32 0.947 -24.204 -1.912 1.00 32.30 H new ATOM 0 HA2 GLY A 32 0.093 -22.321 0.223 1.00 11.30 H new ATOM 0 HA3 GLY A 32 0.031 -24.063 0.402 1.00 11.30 H new ATOM 510 N GLY A 33 2.407 -22.188 1.080 1.00 41.21 N ATOM 511 CA GLY A 33 3.766 -22.090 1.580 1.00 15.44 C ATOM 512 C GLY A 33 4.012 -20.806 2.347 1.00 3.44 C ATOM 513 O GLY A 33 5.115 -20.261 2.324 1.00 21.21 O ATOM 0 H GLY A 33 1.810 -21.391 1.301 1.00 41.21 H new ATOM 0 HA2 GLY A 33 3.973 -22.942 2.228 1.00 15.44 H new ATOM 0 HA3 GLY A 33 4.462 -22.149 0.744 1.00 15.44 H new ATOM 517 N GLY A 34 2.979 -20.319 3.028 1.00 52.24 N ATOM 518 CA GLY A 34 3.107 -19.093 3.795 1.00 22.34 C ATOM 519 C GLY A 34 2.044 -18.967 4.869 1.00 35.23 C ATOM 520 O GLY A 34 2.352 -18.975 6.060 1.00 12.14 O ATOM 0 H GLY A 34 2.056 -20.751 3.062 1.00 52.24 H new ATOM 0 HA2 GLY A 34 4.093 -19.059 4.258 1.00 22.34 H new ATOM 0 HA3 GLY A 34 3.042 -18.238 3.122 1.00 22.34 H new ATOM 524 N GLY A 35 0.789 -18.849 4.447 1.00 31.33 N ATOM 525 CA GLY A 35 -0.302 -18.721 5.394 1.00 65.12 C ATOM 526 C GLY A 35 -0.360 -17.346 6.029 1.00 33.14 C ATOM 527 O GLY A 35 -1.060 -16.459 5.542 1.00 64.24 O ATOM 0 H GLY A 35 0.509 -18.840 3.466 1.00 31.33 H new ATOM 0 HA2 GLY A 35 -1.245 -18.924 4.887 1.00 65.12 H new ATOM 0 HA3 GLY A 35 -0.192 -19.474 6.174 1.00 65.12 H new ATOM 531 N GLU A 36 0.378 -17.168 7.120 1.00 34.12 N ATOM 532 CA GLU A 36 0.406 -15.891 7.824 1.00 60.42 C ATOM 533 C GLU A 36 0.856 -14.768 6.895 1.00 34.00 C ATOM 534 O GLU A 36 0.605 -13.591 7.158 1.00 62.41 O ATOM 535 CB GLU A 36 1.338 -15.972 9.035 1.00 50.52 C ATOM 536 CG GLU A 36 1.706 -14.614 9.610 1.00 13.14 C ATOM 537 CD GLU A 36 2.596 -14.721 10.833 1.00 72.42 C ATOM 538 OE1 GLU A 36 2.155 -14.308 11.926 1.00 23.00 O ATOM 539 OE2 GLU A 36 3.735 -15.217 10.698 1.00 43.11 O ATOM 0 H GLU A 36 0.964 -17.892 7.536 1.00 34.12 H new ATOM 0 HA GLU A 36 -0.605 -15.671 8.167 1.00 60.42 H new ATOM 0 HB2 GLU A 36 0.860 -16.569 9.812 1.00 50.52 H new ATOM 0 HB3 GLU A 36 2.250 -16.495 8.747 1.00 50.52 H new ATOM 0 HG2 GLU A 36 2.214 -14.025 8.846 1.00 13.14 H new ATOM 0 HG3 GLU A 36 0.795 -14.076 9.874 1.00 13.14 H new ATOM 547 N LEU A 37 1.524 -15.138 5.809 1.00 25.24 N ATOM 548 CA LEU A 37 2.010 -14.163 4.839 1.00 55.21 C ATOM 549 C LEU A 37 0.895 -13.214 4.415 1.00 10.31 C ATOM 550 O LEU A 37 1.149 -12.069 4.041 1.00 73.23 O ATOM 551 CB LEU A 37 2.584 -14.875 3.612 1.00 61.14 C ATOM 552 CG LEU A 37 1.615 -15.092 2.450 1.00 23.30 C ATOM 553 CD1 LEU A 37 1.635 -13.899 1.508 1.00 11.23 C ATOM 554 CD2 LEU A 37 1.960 -16.371 1.700 1.00 13.54 C ATOM 0 H LEU A 37 1.742 -16.107 5.577 1.00 25.24 H new ATOM 0 HA LEU A 37 2.798 -13.579 5.313 1.00 55.21 H new ATOM 0 HB2 LEU A 37 3.435 -14.299 3.247 1.00 61.14 H new ATOM 0 HB3 LEU A 37 2.967 -15.846 3.926 1.00 61.14 H new ATOM 0 HG LEU A 37 0.608 -15.192 2.856 1.00 23.30 H new ATOM 0 HD11 LEU A 37 0.939 -14.072 0.687 1.00 11.23 H new ATOM 0 HD12 LEU A 37 1.340 -13.001 2.051 1.00 11.23 H new ATOM 0 HD13 LEU A 37 2.641 -13.767 1.109 1.00 11.23 H new ATOM 0 HD21 LEU A 37 1.260 -16.510 0.876 1.00 13.54 H new ATOM 0 HD22 LEU A 37 2.974 -16.300 1.307 1.00 13.54 H new ATOM 0 HD23 LEU A 37 1.893 -17.221 2.380 1.00 13.54 H new ATOM 566 N MET A 38 -0.342 -13.696 4.477 1.00 74.42 N ATOM 567 CA MET A 38 -1.497 -12.889 4.103 1.00 22.11 C ATOM 568 C MET A 38 -1.619 -11.664 5.003 1.00 60.55 C ATOM 569 O MET A 38 -1.964 -10.575 4.544 1.00 60.32 O ATOM 570 CB MET A 38 -2.777 -13.724 4.181 1.00 72.42 C ATOM 571 CG MET A 38 -4.038 -12.934 3.873 1.00 14.10 C ATOM 572 SD MET A 38 -5.288 -13.090 5.163 1.00 71.03 S ATOM 573 CE MET A 38 -4.442 -12.332 6.548 1.00 64.31 C ATOM 0 H MET A 38 -0.570 -14.642 4.783 1.00 74.42 H new ATOM 0 HA MET A 38 -1.355 -12.551 3.077 1.00 22.11 H new ATOM 0 HB2 MET A 38 -2.701 -14.557 3.482 1.00 72.42 H new ATOM 0 HB3 MET A 38 -2.861 -14.152 5.180 1.00 72.42 H new ATOM 0 HG2 MET A 38 -3.781 -11.882 3.747 1.00 14.10 H new ATOM 0 HG3 MET A 38 -4.454 -13.277 2.926 1.00 14.10 H new ATOM 0 HE1 MET A 38 -5.148 -12.175 7.364 1.00 64.31 H new ATOM 0 HE2 MET A 38 -3.638 -12.986 6.885 1.00 64.31 H new ATOM 0 HE3 MET A 38 -4.025 -11.373 6.239 1.00 64.31 H new ATOM 583 N LYS A 39 -1.335 -11.850 6.288 1.00 51.31 N ATOM 584 CA LYS A 39 -1.411 -10.760 7.254 1.00 41.33 C ATOM 585 C LYS A 39 -0.522 -9.595 6.832 1.00 3.40 C ATOM 586 O LYS A 39 -0.793 -8.441 7.166 1.00 54.53 O ATOM 587 CB LYS A 39 -1.000 -11.252 8.643 1.00 74.21 C ATOM 588 CG LYS A 39 -1.003 -10.162 9.701 1.00 13.43 C ATOM 589 CD LYS A 39 -1.715 -10.613 10.965 1.00 55.12 C ATOM 590 CE LYS A 39 -2.178 -9.426 11.796 1.00 71.20 C ATOM 591 NZ LYS A 39 -3.055 -9.849 12.923 1.00 43.25 N ATOM 0 H LYS A 39 -1.050 -12.746 6.685 1.00 51.31 H new ATOM 0 HA LYS A 39 -2.443 -10.412 7.290 1.00 41.33 H new ATOM 0 HB2 LYS A 39 -1.677 -12.048 8.952 1.00 74.21 H new ATOM 0 HB3 LYS A 39 -0.002 -11.687 8.584 1.00 74.21 H new ATOM 0 HG2 LYS A 39 0.023 -9.883 9.940 1.00 13.43 H new ATOM 0 HG3 LYS A 39 -1.491 -9.271 9.306 1.00 13.43 H new ATOM 0 HD2 LYS A 39 -2.573 -11.230 10.700 1.00 55.12 H new ATOM 0 HD3 LYS A 39 -1.046 -11.236 11.559 1.00 55.12 H new ATOM 0 HE2 LYS A 39 -1.310 -8.897 12.190 1.00 71.20 H new ATOM 0 HE3 LYS A 39 -2.717 -8.725 11.159 1.00 71.20 H new ATOM 0 HZ1 LYS A 39 -3.350 -9.013 13.466 1.00 43.25 H new ATOM 0 HZ2 LYS A 39 -3.896 -10.332 12.546 1.00 43.25 H new ATOM 0 HZ3 LYS A 39 -2.532 -10.499 13.545 1.00 43.25 H new ATOM 605 N LEU A 40 0.540 -9.904 6.096 1.00 45.11 N ATOM 606 CA LEU A 40 1.468 -8.882 5.626 1.00 14.35 C ATOM 607 C LEU A 40 0.856 -8.070 4.489 1.00 31.53 C ATOM 608 O LEU A 40 1.027 -6.853 4.420 1.00 11.51 O ATOM 609 CB LEU A 40 2.775 -9.527 5.161 1.00 0.23 C ATOM 610 CG LEU A 40 3.977 -9.357 6.092 1.00 42.42 C ATOM 611 CD1 LEU A 40 5.158 -10.174 5.593 1.00 42.20 C ATOM 612 CD2 LEU A 40 4.354 -7.888 6.211 1.00 53.20 C ATOM 0 H LEU A 40 0.780 -10.854 5.812 1.00 45.11 H new ATOM 0 HA LEU A 40 1.677 -8.208 6.457 1.00 14.35 H new ATOM 0 HB2 LEU A 40 2.600 -10.593 5.018 1.00 0.23 H new ATOM 0 HB3 LEU A 40 3.034 -9.113 4.187 1.00 0.23 H new ATOM 0 HG LEU A 40 3.702 -9.722 7.081 1.00 42.42 H new ATOM 0 HD11 LEU A 40 6.004 -10.041 6.268 1.00 42.20 H new ATOM 0 HD12 LEU A 40 4.883 -11.228 5.560 1.00 42.20 H new ATOM 0 HD13 LEU A 40 5.435 -9.840 4.593 1.00 42.20 H new ATOM 0 HD21 LEU A 40 5.211 -7.785 6.877 1.00 53.20 H new ATOM 0 HD22 LEU A 40 4.611 -7.497 5.226 1.00 53.20 H new ATOM 0 HD23 LEU A 40 3.511 -7.328 6.615 1.00 53.20 H new ATOM 624 N CYS A 41 0.142 -8.752 3.601 1.00 44.13 N ATOM 625 CA CYS A 41 -0.498 -8.094 2.466 1.00 54.23 C ATOM 626 C CYS A 41 -1.700 -7.273 2.922 1.00 61.40 C ATOM 627 O CYS A 41 -1.982 -6.209 2.371 1.00 33.24 O ATOM 628 CB CYS A 41 -0.935 -9.129 1.430 1.00 23.40 C ATOM 629 SG CYS A 41 0.333 -10.354 1.028 1.00 53.34 S ATOM 0 H CYS A 41 -0.009 -9.760 3.644 1.00 44.13 H new ATOM 0 HA CYS A 41 0.228 -7.420 2.011 1.00 54.23 H new ATOM 0 HB2 CYS A 41 -1.820 -9.646 1.800 1.00 23.40 H new ATOM 0 HB3 CYS A 41 -1.227 -8.611 0.516 1.00 23.40 H new ATOM 0 HG CYS A 41 0.755 -10.917 2.121 1.00 53.34 H new ATOM 635 N GLU A 42 -2.407 -7.777 3.930 1.00 1.43 N ATOM 636 CA GLU A 42 -3.581 -7.090 4.456 1.00 52.11 C ATOM 637 C GLU A 42 -3.197 -5.744 5.063 1.00 41.11 C ATOM 638 O GLU A 42 -4.016 -4.828 5.135 1.00 0.12 O ATOM 639 CB GLU A 42 -4.277 -7.956 5.508 1.00 34.13 C ATOM 640 CG GLU A 42 -5.773 -8.098 5.287 1.00 40.11 C ATOM 641 CD GLU A 42 -6.488 -8.677 6.492 1.00 64.22 C ATOM 642 OE1 GLU A 42 -5.846 -8.813 7.554 1.00 32.34 O ATOM 643 OE2 GLU A 42 -7.690 -8.996 6.374 1.00 4.53 O ATOM 0 H GLU A 42 -2.187 -8.657 4.397 1.00 1.43 H new ATOM 0 HA GLU A 42 -4.268 -6.913 3.629 1.00 52.11 H new ATOM 0 HB2 GLU A 42 -3.823 -8.947 5.509 1.00 34.13 H new ATOM 0 HB3 GLU A 42 -4.103 -7.525 6.494 1.00 34.13 H new ATOM 0 HG2 GLU A 42 -6.196 -7.121 5.053 1.00 40.11 H new ATOM 0 HG3 GLU A 42 -5.950 -8.738 4.422 1.00 40.11 H new ATOM 651 N GLU A 43 -1.947 -5.632 5.499 1.00 34.22 N ATOM 652 CA GLU A 43 -1.454 -4.399 6.101 1.00 65.41 C ATOM 653 C GLU A 43 -1.682 -3.211 5.171 1.00 22.01 C ATOM 654 O GLU A 43 -2.060 -2.126 5.613 1.00 63.32 O ATOM 655 CB GLU A 43 0.035 -4.524 6.431 1.00 23.43 C ATOM 656 CG GLU A 43 0.356 -5.676 7.367 1.00 31.43 C ATOM 657 CD GLU A 43 1.029 -5.218 8.646 1.00 70.24 C ATOM 658 OE1 GLU A 43 2.091 -5.779 8.991 1.00 50.33 O ATOM 659 OE2 GLU A 43 0.493 -4.301 9.303 1.00 21.12 O ATOM 0 H GLU A 43 -1.256 -6.381 5.447 1.00 34.22 H new ATOM 0 HA GLU A 43 -2.009 -4.229 7.023 1.00 65.41 H new ATOM 0 HB2 GLU A 43 0.594 -4.653 5.504 1.00 23.43 H new ATOM 0 HB3 GLU A 43 0.378 -3.593 6.883 1.00 23.43 H new ATOM 0 HG2 GLU A 43 -0.564 -6.205 7.614 1.00 31.43 H new ATOM 0 HG3 GLU A 43 1.004 -6.386 6.854 1.00 31.43 H new ATOM 667 N ALA A 44 -1.448 -3.424 3.880 1.00 3.30 N ATOM 668 CA ALA A 44 -1.630 -2.373 2.887 1.00 32.11 C ATOM 669 C ALA A 44 -3.007 -1.730 3.012 1.00 63.32 C ATOM 670 O ALA A 44 -3.143 -0.511 2.927 1.00 42.43 O ATOM 671 CB ALA A 44 -1.430 -2.930 1.486 1.00 43.13 C ATOM 0 H ALA A 44 -1.132 -4.315 3.498 1.00 3.30 H new ATOM 0 HA ALA A 44 -0.881 -1.602 3.070 1.00 32.11 H new ATOM 0 HB1 ALA A 44 -1.569 -2.134 0.755 1.00 43.13 H new ATOM 0 HB2 ALA A 44 -0.422 -3.334 1.396 1.00 43.13 H new ATOM 0 HB3 ALA A 44 -2.156 -3.722 1.302 1.00 43.13 H new ATOM 677 N ALA A 45 -4.026 -2.560 3.214 1.00 22.45 N ATOM 678 CA ALA A 45 -5.392 -2.073 3.351 1.00 62.12 C ATOM 679 C ALA A 45 -5.615 -1.442 4.722 1.00 33.32 C ATOM 680 O ALA A 45 -6.517 -0.625 4.902 1.00 42.41 O ATOM 681 CB ALA A 45 -6.382 -3.205 3.122 1.00 61.53 C ATOM 0 H ALA A 45 -3.930 -3.573 3.286 1.00 22.45 H new ATOM 0 HA ALA A 45 -5.555 -1.305 2.595 1.00 62.12 H new ATOM 0 HB1 ALA A 45 -7.399 -2.826 3.228 1.00 61.53 H new ATOM 0 HB2 ALA A 45 -6.248 -3.609 2.118 1.00 61.53 H new ATOM 0 HB3 ALA A 45 -6.210 -3.993 3.856 1.00 61.53 H new ATOM 687 N LYS A 46 -4.787 -1.828 5.687 1.00 12.11 N ATOM 688 CA LYS A 46 -4.892 -1.301 7.042 1.00 12.52 C ATOM 689 C LYS A 46 -4.328 0.115 7.120 1.00 35.11 C ATOM 690 O LYS A 46 -4.948 1.010 7.694 1.00 55.22 O ATOM 691 CB LYS A 46 -4.151 -2.211 8.024 1.00 41.43 C ATOM 692 CG LYS A 46 -3.986 -1.605 9.408 1.00 24.13 C ATOM 693 CD LYS A 46 -4.391 -2.586 10.497 1.00 43.55 C ATOM 694 CE LYS A 46 -4.788 -1.864 11.776 1.00 75.42 C ATOM 695 NZ LYS A 46 -6.036 -2.423 12.364 1.00 53.12 N ATOM 0 H LYS A 46 -4.035 -2.505 5.555 1.00 12.11 H new ATOM 0 HA LYS A 46 -5.948 -1.269 7.312 1.00 12.52 H new ATOM 0 HB2 LYS A 46 -4.691 -3.154 8.111 1.00 41.43 H new ATOM 0 HB3 LYS A 46 -3.166 -2.444 7.619 1.00 41.43 H new ATOM 0 HG2 LYS A 46 -2.948 -1.306 9.554 1.00 24.13 H new ATOM 0 HG3 LYS A 46 -4.592 -0.702 9.486 1.00 24.13 H new ATOM 0 HD2 LYS A 46 -5.225 -3.195 10.148 1.00 43.55 H new ATOM 0 HD3 LYS A 46 -3.564 -3.265 10.703 1.00 43.55 H new ATOM 0 HE2 LYS A 46 -3.979 -1.940 12.502 1.00 75.42 H new ATOM 0 HE3 LYS A 46 -4.929 -0.804 11.566 1.00 75.42 H new ATOM 0 HZ1 LYS A 46 -6.273 -1.904 13.234 1.00 53.12 H new ATOM 0 HZ2 LYS A 46 -6.815 -2.327 11.681 1.00 53.12 H new ATOM 0 HZ3 LYS A 46 -5.894 -3.428 12.589 1.00 53.12 H new ATOM 709 N LYS A 47 -3.150 0.310 6.537 1.00 13.23 N ATOM 710 CA LYS A 47 -2.503 1.617 6.538 1.00 52.42 C ATOM 711 C LYS A 47 -3.437 2.687 5.979 1.00 72.23 C ATOM 712 O LYS A 47 -3.698 3.697 6.630 1.00 61.35 O ATOM 713 CB LYS A 47 -1.214 1.571 5.716 1.00 34.04 C ATOM 714 CG LYS A 47 -0.132 0.697 6.329 1.00 5.32 C ATOM 715 CD LYS A 47 0.243 1.169 7.722 1.00 51.22 C ATOM 716 CE LYS A 47 -0.455 0.348 8.796 1.00 14.20 C ATOM 717 NZ LYS A 47 0.370 0.235 10.031 1.00 42.34 N ATOM 0 H LYS A 47 -2.624 -0.421 6.058 1.00 13.23 H new ATOM 0 HA LYS A 47 -2.260 1.874 7.569 1.00 52.42 H new ATOM 0 HB2 LYS A 47 -1.444 1.203 4.716 1.00 34.04 H new ATOM 0 HB3 LYS A 47 -0.829 2.584 5.602 1.00 34.04 H new ATOM 0 HG2 LYS A 47 -0.479 -0.335 6.375 1.00 5.32 H new ATOM 0 HG3 LYS A 47 0.751 0.708 5.690 1.00 5.32 H new ATOM 0 HD2 LYS A 47 1.323 1.098 7.853 1.00 51.22 H new ATOM 0 HD3 LYS A 47 -0.024 2.220 7.835 1.00 51.22 H new ATOM 0 HE2 LYS A 47 -1.413 0.808 9.040 1.00 14.20 H new ATOM 0 HE3 LYS A 47 -0.669 -0.649 8.410 1.00 14.20 H new ATOM 0 HZ1 LYS A 47 -0.232 0.386 10.866 1.00 42.34 H new ATOM 0 HZ2 LYS A 47 0.796 -0.713 10.078 1.00 42.34 H new ATOM 0 HZ3 LYS A 47 1.123 0.952 10.013 1.00 42.34 H new ATOM 731 N ALA A 48 -3.936 2.456 4.770 1.00 3.35 N ATOM 732 CA ALA A 48 -4.843 3.398 4.125 1.00 11.40 C ATOM 733 C ALA A 48 -6.046 3.697 5.013 1.00 73.42 C ATOM 734 O ALA A 48 -6.522 4.829 5.068 1.00 43.24 O ATOM 735 CB ALA A 48 -5.300 2.854 2.780 1.00 44.21 C ATOM 0 H ALA A 48 -3.728 1.625 4.217 1.00 3.35 H new ATOM 0 HA ALA A 48 -4.303 4.331 3.963 1.00 11.40 H new ATOM 0 HB1 ALA A 48 -5.977 3.568 2.310 1.00 44.21 H new ATOM 0 HB2 ALA A 48 -4.434 2.698 2.137 1.00 44.21 H new ATOM 0 HB3 ALA A 48 -5.818 1.906 2.928 1.00 44.21 H new ATOM 741 N GLU A 49 -6.533 2.672 5.707 1.00 32.33 N ATOM 742 CA GLU A 49 -7.682 2.826 6.592 1.00 1.32 C ATOM 743 C GLU A 49 -7.381 3.826 7.705 1.00 22.11 C ATOM 744 O GLU A 49 -8.234 4.633 8.074 1.00 74.20 O ATOM 745 CB GLU A 49 -8.073 1.476 7.196 1.00 62.40 C ATOM 746 CG GLU A 49 -9.424 1.489 7.890 1.00 71.04 C ATOM 747 CD GLU A 49 -10.420 0.544 7.246 1.00 64.53 C ATOM 748 OE1 GLU A 49 -10.266 -0.685 7.415 1.00 43.44 O ATOM 749 OE2 GLU A 49 -11.353 1.031 6.575 1.00 51.35 O ATOM 0 H GLU A 49 -6.150 1.727 5.673 1.00 32.33 H new ATOM 0 HA GLU A 49 -8.515 3.206 6.001 1.00 1.32 H new ATOM 0 HB2 GLU A 49 -8.087 0.724 6.407 1.00 62.40 H new ATOM 0 HB3 GLU A 49 -7.309 1.173 7.912 1.00 62.40 H new ATOM 0 HG2 GLU A 49 -9.293 1.215 8.937 1.00 71.04 H new ATOM 0 HG3 GLU A 49 -9.827 2.502 7.874 1.00 71.04 H new ATOM 757 N GLU A 50 -6.164 3.765 8.235 1.00 30.15 N ATOM 758 CA GLU A 50 -5.751 4.663 9.306 1.00 32.21 C ATOM 759 C GLU A 50 -5.502 6.070 8.771 1.00 15.15 C ATOM 760 O GLU A 50 -5.912 7.059 9.379 1.00 14.53 O ATOM 761 CB GLU A 50 -4.488 4.133 9.988 1.00 73.35 C ATOM 762 CG GLU A 50 -4.770 3.156 11.116 1.00 71.33 C ATOM 763 CD GLU A 50 -3.805 3.308 12.276 1.00 52.53 C ATOM 764 OE1 GLU A 50 -4.072 4.149 13.161 1.00 72.31 O ATOM 765 OE2 GLU A 50 -2.785 2.589 12.299 1.00 54.43 O ATOM 0 H GLU A 50 -5.447 3.103 7.940 1.00 30.15 H new ATOM 0 HA GLU A 50 -6.558 4.709 10.038 1.00 32.21 H new ATOM 0 HB2 GLU A 50 -3.861 3.643 9.243 1.00 73.35 H new ATOM 0 HB3 GLU A 50 -3.917 4.974 10.381 1.00 73.35 H new ATOM 0 HG2 GLU A 50 -5.789 3.305 11.474 1.00 71.33 H new ATOM 0 HG3 GLU A 50 -4.713 2.137 10.732 1.00 71.33 H new ATOM 773 N LEU A 51 -4.825 6.151 7.630 1.00 61.44 N ATOM 774 CA LEU A 51 -4.519 7.436 7.012 1.00 0.04 C ATOM 775 C LEU A 51 -5.797 8.169 6.617 1.00 64.11 C ATOM 776 O LEU A 51 -6.041 9.293 7.053 1.00 42.01 O ATOM 777 CB LEU A 51 -3.632 7.235 5.781 1.00 65.41 C ATOM 778 CG LEU A 51 -2.129 7.389 6.006 1.00 35.43 C ATOM 779 CD1 LEU A 51 -1.349 6.663 4.920 1.00 64.20 C ATOM 780 CD2 LEU A 51 -1.744 8.860 6.047 1.00 34.31 C ATOM 0 H LEU A 51 -4.478 5.342 7.115 1.00 61.44 H new ATOM 0 HA LEU A 51 -3.984 8.043 7.742 1.00 0.04 H new ATOM 0 HB2 LEU A 51 -3.819 6.238 5.382 1.00 65.41 H new ATOM 0 HB3 LEU A 51 -3.940 7.948 5.016 1.00 65.41 H new ATOM 0 HG LEU A 51 -1.878 6.941 6.967 1.00 35.43 H new ATOM 0 HD11 LEU A 51 -0.280 6.784 5.097 1.00 64.20 H new ATOM 0 HD12 LEU A 51 -1.602 5.603 4.937 1.00 64.20 H new ATOM 0 HD13 LEU A 51 -1.605 7.081 3.947 1.00 64.20 H new ATOM 0 HD21 LEU A 51 -0.670 8.951 6.208 1.00 34.31 H new ATOM 0 HD22 LEU A 51 -2.010 9.332 5.101 1.00 34.31 H new ATOM 0 HD23 LEU A 51 -2.276 9.353 6.861 1.00 34.31 H new ATOM 792 N PHE A 52 -6.612 7.522 5.788 1.00 74.14 N ATOM 793 CA PHE A 52 -7.867 8.111 5.336 1.00 24.23 C ATOM 794 C PHE A 52 -8.735 8.519 6.522 1.00 45.44 C ATOM 795 O PHE A 52 -9.523 9.462 6.434 1.00 65.50 O ATOM 796 CB PHE A 52 -8.627 7.124 4.448 1.00 64.31 C ATOM 797 CG PHE A 52 -10.016 7.577 4.100 1.00 41.24 C ATOM 798 CD1 PHE A 52 -10.222 8.778 3.441 1.00 33.13 C ATOM 799 CD2 PHE A 52 -11.116 6.802 4.432 1.00 31.23 C ATOM 800 CE1 PHE A 52 -11.499 9.198 3.120 1.00 30.32 C ATOM 801 CE2 PHE A 52 -12.395 7.217 4.114 1.00 23.23 C ATOM 802 CZ PHE A 52 -12.587 8.416 3.456 1.00 20.41 C ATOM 0 H PHE A 52 -6.425 6.591 5.416 1.00 74.14 H new ATOM 0 HA PHE A 52 -7.633 9.004 4.757 1.00 24.23 H new ATOM 0 HB2 PHE A 52 -8.064 6.967 3.528 1.00 64.31 H new ATOM 0 HB3 PHE A 52 -8.684 6.161 4.955 1.00 64.31 H new ATOM 0 HD1 PHE A 52 -9.375 9.393 3.175 1.00 33.13 H new ATOM 0 HD2 PHE A 52 -10.972 5.863 4.945 1.00 31.23 H new ATOM 0 HE1 PHE A 52 -11.646 10.137 2.607 1.00 30.32 H new ATOM 0 HE2 PHE A 52 -13.244 6.604 4.380 1.00 23.23 H new ATOM 0 HZ PHE A 52 -13.586 8.742 3.205 1.00 20.41 H new ATOM 812 N LYS A 53 -8.586 7.803 7.631 1.00 43.20 N ATOM 813 CA LYS A 53 -9.355 8.090 8.836 1.00 64.30 C ATOM 814 C LYS A 53 -9.189 9.547 9.255 1.00 5.21 C ATOM 815 O LYS A 53 -10.164 10.295 9.336 1.00 1.10 O ATOM 816 CB LYS A 53 -8.917 7.168 9.977 1.00 33.43 C ATOM 817 CG LYS A 53 -10.075 6.511 10.708 1.00 10.33 C ATOM 818 CD LYS A 53 -10.849 5.574 9.796 1.00 21.44 C ATOM 819 CE LYS A 53 -11.933 4.825 10.557 1.00 12.11 C ATOM 820 NZ LYS A 53 -12.993 5.742 11.059 1.00 52.41 N ATOM 0 H LYS A 53 -7.939 7.019 7.720 1.00 43.20 H new ATOM 0 HA LYS A 53 -10.407 7.912 8.615 1.00 64.30 H new ATOM 0 HB2 LYS A 53 -8.265 6.392 9.576 1.00 33.43 H new ATOM 0 HB3 LYS A 53 -8.327 7.743 10.691 1.00 33.43 H new ATOM 0 HG2 LYS A 53 -9.697 5.955 11.566 1.00 10.33 H new ATOM 0 HG3 LYS A 53 -10.745 7.279 11.096 1.00 10.33 H new ATOM 0 HD2 LYS A 53 -11.301 6.145 8.985 1.00 21.44 H new ATOM 0 HD3 LYS A 53 -10.163 4.860 9.340 1.00 21.44 H new ATOM 0 HE2 LYS A 53 -12.381 4.074 9.906 1.00 12.11 H new ATOM 0 HE3 LYS A 53 -11.486 4.293 11.397 1.00 12.11 H new ATOM 0 HZ1 LYS A 53 -13.762 5.185 11.482 1.00 52.41 H new ATOM 0 HZ2 LYS A 53 -12.591 6.378 11.777 1.00 52.41 H new ATOM 0 HZ3 LYS A 53 -13.368 6.305 10.269 1.00 52.41 H new ATOM 834 N LEU A 54 -7.950 9.946 9.516 1.00 33.43 N ATOM 835 CA LEU A 54 -7.655 11.315 9.924 1.00 41.11 C ATOM 836 C LEU A 54 -7.727 12.266 8.733 1.00 63.52 C ATOM 837 O LEU A 54 -7.980 13.459 8.894 1.00 52.30 O ATOM 838 CB LEU A 54 -6.269 11.390 10.568 1.00 42.24 C ATOM 839 CG LEU A 54 -6.209 11.092 12.066 1.00 54.43 C ATOM 840 CD1 LEU A 54 -7.067 12.079 12.842 1.00 14.21 C ATOM 841 CD2 LEU A 54 -6.652 9.663 12.345 1.00 4.01 C ATOM 0 H LEU A 54 -7.132 9.340 9.452 1.00 33.43 H new ATOM 0 HA LEU A 54 -8.405 11.619 10.654 1.00 41.11 H new ATOM 0 HB2 LEU A 54 -5.612 10.690 10.052 1.00 42.24 H new ATOM 0 HB3 LEU A 54 -5.866 12.389 10.400 1.00 42.24 H new ATOM 0 HG LEU A 54 -5.176 11.202 12.397 1.00 54.43 H new ATOM 0 HD11 LEU A 54 -7.012 11.851 13.906 1.00 14.21 H new ATOM 0 HD12 LEU A 54 -6.704 13.092 12.669 1.00 14.21 H new ATOM 0 HD13 LEU A 54 -8.102 12.003 12.508 1.00 14.21 H new ATOM 0 HD21 LEU A 54 -6.603 9.469 13.417 1.00 4.01 H new ATOM 0 HD22 LEU A 54 -7.676 9.525 11.998 1.00 4.01 H new ATOM 0 HD23 LEU A 54 -5.995 8.969 11.820 1.00 4.01 H new ATOM 853 N ALA A 55 -7.507 11.726 7.539 1.00 53.51 N ATOM 854 CA ALA A 55 -7.551 12.526 6.321 1.00 20.25 C ATOM 855 C ALA A 55 -8.889 13.245 6.185 1.00 4.15 C ATOM 856 O ALA A 55 -8.961 14.339 5.628 1.00 10.23 O ATOM 857 CB ALA A 55 -7.295 11.648 5.104 1.00 53.04 C ATOM 0 H ALA A 55 -7.297 10.739 7.389 1.00 53.51 H new ATOM 0 HA ALA A 55 -6.767 13.281 6.382 1.00 20.25 H new ATOM 0 HB1 ALA A 55 -7.331 12.258 4.201 1.00 53.04 H new ATOM 0 HB2 ALA A 55 -6.312 11.184 5.190 1.00 53.04 H new ATOM 0 HB3 ALA A 55 -8.059 10.872 5.048 1.00 53.04 H new ATOM 863 N GLU A 56 -9.945 12.621 6.696 1.00 44.44 N ATOM 864 CA GLU A 56 -11.281 13.203 6.629 1.00 32.21 C ATOM 865 C GLU A 56 -11.336 14.527 7.384 1.00 44.45 C ATOM 866 O GLU A 56 -12.128 15.409 7.053 1.00 71.02 O ATOM 867 CB GLU A 56 -12.314 12.232 7.204 1.00 33.55 C ATOM 868 CG GLU A 56 -12.090 10.787 6.789 1.00 12.04 C ATOM 869 CD GLU A 56 -13.362 10.113 6.311 1.00 52.15 C ATOM 870 OE1 GLU A 56 -14.021 10.666 5.406 1.00 64.41 O ATOM 871 OE2 GLU A 56 -13.697 9.034 6.843 1.00 50.33 O ATOM 0 H GLU A 56 -9.902 11.714 7.160 1.00 44.44 H new ATOM 0 HA GLU A 56 -11.515 13.392 5.581 1.00 32.21 H new ATOM 0 HB2 GLU A 56 -12.294 12.296 8.292 1.00 33.55 H new ATOM 0 HB3 GLU A 56 -13.309 12.543 6.885 1.00 33.55 H new ATOM 0 HG2 GLU A 56 -11.344 10.753 5.995 1.00 12.04 H new ATOM 0 HG3 GLU A 56 -11.683 10.230 7.633 1.00 12.04 H new ATOM 879 N GLU A 57 -10.489 14.658 8.400 1.00 51.32 N ATOM 880 CA GLU A 57 -10.443 15.875 9.203 1.00 61.22 C ATOM 881 C GLU A 57 -9.785 17.013 8.429 1.00 22.30 C ATOM 882 O GLU A 57 -10.292 18.135 8.404 1.00 24.04 O ATOM 883 CB GLU A 57 -9.682 15.623 10.506 1.00 14.31 C ATOM 884 CG GLU A 57 -9.800 16.759 11.510 1.00 5.04 C ATOM 885 CD GLU A 57 -9.097 16.456 12.818 1.00 71.45 C ATOM 886 OE1 GLU A 57 -9.378 17.154 13.816 1.00 24.44 O ATOM 887 OE2 GLU A 57 -8.267 15.523 12.845 1.00 50.44 O ATOM 0 H GLU A 57 -9.826 13.938 8.687 1.00 51.32 H new ATOM 0 HA GLU A 57 -11.467 16.164 9.438 1.00 61.22 H new ATOM 0 HB2 GLU A 57 -10.054 14.706 10.963 1.00 14.31 H new ATOM 0 HB3 GLU A 57 -8.629 15.460 10.276 1.00 14.31 H new ATOM 0 HG2 GLU A 57 -9.379 17.667 11.077 1.00 5.04 H new ATOM 0 HG3 GLU A 57 -10.854 16.958 11.706 1.00 5.04 H new ATOM 895 N ARG A 58 -8.654 16.716 7.799 1.00 12.34 N ATOM 896 CA ARG A 58 -7.925 17.714 7.024 1.00 33.21 C ATOM 897 C ARG A 58 -8.562 17.908 5.651 1.00 34.23 C ATOM 898 O ARG A 58 -8.250 18.865 4.941 1.00 22.32 O ATOM 899 CB ARG A 58 -6.461 17.299 6.866 1.00 61.24 C ATOM 900 CG ARG A 58 -5.816 16.838 8.163 1.00 21.34 C ATOM 901 CD ARG A 58 -5.415 15.372 8.095 1.00 63.12 C ATOM 902 NE ARG A 58 -4.557 15.092 6.947 1.00 32.41 N ATOM 903 CZ ARG A 58 -4.121 13.876 6.635 1.00 25.10 C ATOM 904 NH1 ARG A 58 -4.463 12.834 7.379 1.00 54.04 N ATOM 905 NH2 ARG A 58 -3.344 13.701 5.574 1.00 74.23 N ATOM 0 H ARG A 58 -8.222 15.792 7.810 1.00 12.34 H new ATOM 0 HA ARG A 58 -7.970 18.660 7.563 1.00 33.21 H new ATOM 0 HB2 ARG A 58 -6.397 16.495 6.132 1.00 61.24 H new ATOM 0 HB3 ARG A 58 -5.894 18.140 6.467 1.00 61.24 H new ATOM 0 HG2 ARG A 58 -4.937 17.448 8.370 1.00 21.34 H new ATOM 0 HG3 ARG A 58 -6.510 16.989 8.990 1.00 21.34 H new ATOM 0 HD2 ARG A 58 -4.895 15.096 9.012 1.00 63.12 H new ATOM 0 HD3 ARG A 58 -6.311 14.753 8.038 1.00 63.12 H new ATOM 0 HE ARG A 58 -4.277 15.872 6.352 1.00 32.41 H new ATOM 0 HH11 ARG A 58 -5.063 12.964 8.194 1.00 54.04 H new ATOM 0 HH12 ARG A 58 -4.127 11.902 7.137 1.00 54.04 H new ATOM 0 HH21 ARG A 58 -3.081 14.500 4.997 1.00 74.23 H new ATOM 0 HH22 ARG A 58 -3.010 12.767 5.335 1.00 74.23 H new ATOM 919 N LEU A 59 -9.453 16.994 5.284 1.00 12.42 N ATOM 920 CA LEU A 59 -10.133 17.064 3.995 1.00 1.11 C ATOM 921 C LEU A 59 -11.587 17.490 4.169 1.00 34.20 C ATOM 922 O LEU A 59 -12.296 17.732 3.192 1.00 74.23 O ATOM 923 CB LEU A 59 -10.067 15.708 3.288 1.00 2.42 C ATOM 924 CG LEU A 59 -8.671 15.222 2.898 1.00 41.21 C ATOM 925 CD1 LEU A 59 -8.693 13.733 2.587 1.00 0.30 C ATOM 926 CD2 LEU A 59 -8.145 16.010 1.707 1.00 43.04 C ATOM 0 H LEU A 59 -9.722 16.196 5.860 1.00 12.42 H new ATOM 0 HA LEU A 59 -9.626 17.811 3.384 1.00 1.11 H new ATOM 0 HB2 LEU A 59 -10.522 14.960 3.937 1.00 2.42 H new ATOM 0 HB3 LEU A 59 -10.677 15.761 2.386 1.00 2.42 H new ATOM 0 HG LEU A 59 -8.000 15.387 3.741 1.00 41.21 H new ATOM 0 HD11 LEU A 59 -7.691 13.404 2.311 1.00 0.30 H new ATOM 0 HD12 LEU A 59 -9.026 13.182 3.467 1.00 0.30 H new ATOM 0 HD13 LEU A 59 -9.377 13.544 1.760 1.00 0.30 H new ATOM 0 HD21 LEU A 59 -7.150 15.650 1.443 1.00 43.04 H new ATOM 0 HD22 LEU A 59 -8.816 15.877 0.858 1.00 43.04 H new ATOM 0 HD23 LEU A 59 -8.092 17.068 1.965 1.00 43.04 H new ATOM 938 N LYS A 60 -12.025 17.582 5.420 1.00 22.32 N ATOM 939 CA LYS A 60 -13.394 17.981 5.725 1.00 12.31 C ATOM 940 C LYS A 60 -13.451 18.787 7.019 1.00 70.11 C ATOM 941 O LYS A 60 -12.425 19.248 7.521 1.00 62.14 O ATOM 942 CB LYS A 60 -14.295 16.749 5.837 1.00 74.14 C ATOM 943 CG LYS A 60 -13.951 15.652 4.846 1.00 22.20 C ATOM 944 CD LYS A 60 -14.676 14.357 5.174 1.00 34.41 C ATOM 945 CE LYS A 60 -15.648 13.967 4.071 1.00 51.30 C ATOM 946 NZ LYS A 60 -16.947 13.491 4.619 1.00 74.24 N ATOM 0 H LYS A 60 -11.451 17.385 6.240 1.00 22.32 H new ATOM 0 HA LYS A 60 -13.752 18.611 4.910 1.00 12.31 H new ATOM 0 HB2 LYS A 60 -14.225 16.349 6.848 1.00 74.14 H new ATOM 0 HB3 LYS A 60 -15.331 17.052 5.686 1.00 74.14 H new ATOM 0 HG2 LYS A 60 -14.217 15.974 3.839 1.00 22.20 H new ATOM 0 HG3 LYS A 60 -12.875 15.479 4.852 1.00 22.20 H new ATOM 0 HD2 LYS A 60 -13.949 13.558 5.318 1.00 34.41 H new ATOM 0 HD3 LYS A 60 -15.217 14.470 6.114 1.00 34.41 H new ATOM 0 HE2 LYS A 60 -15.821 14.824 3.420 1.00 51.30 H new ATOM 0 HE3 LYS A 60 -15.204 13.184 3.456 1.00 51.30 H new ATOM 0 HZ1 LYS A 60 -17.581 13.235 3.836 1.00 74.24 H new ATOM 0 HZ2 LYS A 60 -16.786 12.658 5.220 1.00 74.24 H new ATOM 0 HZ3 LYS A 60 -17.383 14.247 5.185 1.00 74.24 H new ATOM 960 N LYS A 61 -14.655 18.952 7.556 1.00 25.44 N ATOM 961 CA LYS A 61 -14.846 19.698 8.794 1.00 22.22 C ATOM 962 C LYS A 61 -14.830 18.764 10.000 1.00 53.42 C ATOM 963 O LYS A 61 -14.065 18.966 10.944 1.00 15.11 O ATOM 964 CB LYS A 61 -16.167 20.469 8.750 1.00 15.04 C ATOM 965 CG LYS A 61 -16.384 21.371 9.952 1.00 22.40 C ATOM 966 CD LYS A 61 -16.869 22.750 9.535 1.00 12.04 C ATOM 967 CE LYS A 61 -17.473 23.506 10.707 1.00 51.25 C ATOM 968 NZ LYS A 61 -18.362 24.613 10.254 1.00 61.40 N ATOM 0 H LYS A 61 -15.514 18.579 7.153 1.00 25.44 H new ATOM 0 HA LYS A 61 -14.023 20.405 8.894 1.00 22.22 H new ATOM 0 HB2 LYS A 61 -16.196 21.073 7.843 1.00 15.04 H new ATOM 0 HB3 LYS A 61 -16.991 19.758 8.686 1.00 15.04 H new ATOM 0 HG2 LYS A 61 -17.113 20.916 10.623 1.00 22.40 H new ATOM 0 HG3 LYS A 61 -15.452 21.465 10.510 1.00 22.40 H new ATOM 0 HD2 LYS A 61 -16.037 23.320 9.123 1.00 12.04 H new ATOM 0 HD3 LYS A 61 -17.611 22.652 8.743 1.00 12.04 H new ATOM 0 HE2 LYS A 61 -18.041 22.816 11.330 1.00 51.25 H new ATOM 0 HE3 LYS A 61 -16.674 23.912 11.328 1.00 51.25 H new ATOM 0 HZ1 LYS A 61 -18.754 25.104 11.082 1.00 61.40 H new ATOM 0 HZ2 LYS A 61 -17.814 25.285 9.680 1.00 61.40 H new ATOM 0 HZ3 LYS A 61 -19.139 24.223 9.683 1.00 61.40 H new ATOM 982 N LEU A 62 -15.677 17.741 9.962 1.00 41.44 N ATOM 983 CA LEU A 62 -15.760 16.776 11.053 1.00 1.54 C ATOM 984 C LEU A 62 -15.914 17.482 12.395 1.00 42.22 C ATOM 985 O LEU A 62 -16.659 18.458 12.481 1.00 32.44 O ATOM 986 CB LEU A 62 -14.514 15.889 11.069 1.00 72.21 C ATOM 987 CG LEU A 62 -14.590 14.608 10.238 1.00 14.34 C ATOM 988 CD1 LEU A 62 -13.272 13.852 10.300 1.00 13.12 C ATOM 989 CD2 LEU A 62 -15.734 13.728 10.719 1.00 23.42 C ATOM 0 H LEU A 62 -16.316 17.558 9.188 1.00 41.44 H new ATOM 0 HA LEU A 62 -16.640 16.154 10.890 1.00 1.54 H new ATOM 0 HB2 LEU A 62 -13.669 16.478 10.714 1.00 72.21 H new ATOM 0 HB3 LEU A 62 -14.301 15.616 12.102 1.00 72.21 H new ATOM 0 HG LEU A 62 -14.780 14.882 9.200 1.00 14.34 H new ATOM 0 HD11 LEU A 62 -13.345 12.943 9.703 1.00 13.12 H new ATOM 0 HD12 LEU A 62 -12.473 14.481 9.907 1.00 13.12 H new ATOM 0 HD13 LEU A 62 -13.052 13.589 11.335 1.00 13.12 H new ATOM 0 HD21 LEU A 62 -15.773 12.821 10.116 1.00 23.42 H new ATOM 0 HD22 LEU A 62 -15.574 13.463 11.764 1.00 23.42 H new ATOM 0 HD23 LEU A 62 -16.675 14.269 10.622 1.00 23.42 H new ATOM 1002 N MET B 1 14.067 -22.038 -10.365 1.00 55.22 N ATOM 1003 CA MET B 1 13.137 -22.396 -9.300 1.00 25.54 C ATOM 1004 C MET B 1 11.940 -21.451 -9.283 1.00 25.15 C ATOM 1005 O MET B 1 11.789 -20.641 -8.369 1.00 3.22 O ATOM 1006 CB MET B 1 13.843 -22.367 -7.944 1.00 33.34 C ATOM 1007 CG MET B 1 15.149 -23.146 -7.922 1.00 15.24 C ATOM 1008 SD MET B 1 16.583 -22.089 -7.641 1.00 62.50 S ATOM 1009 CE MET B 1 17.910 -23.288 -7.732 1.00 72.32 C ATOM 0 H1 MET B 1 14.519 -22.899 -10.735 1.00 55.22 H new ATOM 0 H2 MET B 1 13.550 -21.561 -11.131 1.00 55.22 H new ATOM 0 H3 MET B 1 14.796 -21.399 -9.989 1.00 55.22 H new ATOM 0 HA MET B 1 12.777 -23.407 -9.492 1.00 25.54 H new ATOM 0 HB2 MET B 1 14.043 -21.331 -7.670 1.00 33.34 H new ATOM 0 HB3 MET B 1 13.174 -22.774 -7.186 1.00 33.34 H new ATOM 0 HG2 MET B 1 15.102 -23.904 -7.140 1.00 15.24 H new ATOM 0 HG3 MET B 1 15.270 -23.672 -8.869 1.00 15.24 H new ATOM 0 HE1 MET B 1 18.865 -22.786 -7.577 1.00 72.32 H new ATOM 0 HE2 MET B 1 17.769 -24.046 -6.961 1.00 72.32 H new ATOM 0 HE3 MET B 1 17.904 -23.763 -8.713 1.00 72.32 H new ATOM 1019 N LYS B 2 11.091 -21.561 -10.299 1.00 24.13 N ATOM 1020 CA LYS B 2 9.905 -20.717 -10.402 1.00 75.33 C ATOM 1021 C LYS B 2 9.034 -21.144 -11.578 1.00 44.32 C ATOM 1022 O LYS B 2 9.492 -21.842 -12.482 1.00 1.51 O ATOM 1023 CB LYS B 2 10.311 -19.250 -10.559 1.00 31.54 C ATOM 1024 CG LYS B 2 11.119 -18.974 -11.815 1.00 42.23 C ATOM 1025 CD LYS B 2 11.635 -17.545 -11.843 1.00 41.12 C ATOM 1026 CE LYS B 2 12.382 -17.248 -13.135 1.00 41.54 C ATOM 1027 NZ LYS B 2 13.783 -16.814 -12.878 1.00 52.32 N ATOM 0 H LYS B 2 11.202 -22.227 -11.064 1.00 24.13 H new ATOM 0 HA LYS B 2 9.327 -20.831 -9.485 1.00 75.33 H new ATOM 0 HB2 LYS B 2 9.413 -18.632 -10.572 1.00 31.54 H new ATOM 0 HB3 LYS B 2 10.893 -18.948 -9.689 1.00 31.54 H new ATOM 0 HG2 LYS B 2 11.959 -19.666 -11.868 1.00 42.23 H new ATOM 0 HG3 LYS B 2 10.501 -19.156 -12.694 1.00 42.23 H new ATOM 0 HD2 LYS B 2 10.799 -16.853 -11.737 1.00 41.12 H new ATOM 0 HD3 LYS B 2 12.296 -17.379 -10.993 1.00 41.12 H new ATOM 0 HE2 LYS B 2 12.387 -18.138 -13.764 1.00 41.54 H new ATOM 0 HE3 LYS B 2 11.856 -16.470 -13.688 1.00 41.54 H new ATOM 0 HZ1 LYS B 2 14.258 -16.621 -13.783 1.00 52.32 H new ATOM 0 HZ2 LYS B 2 13.778 -15.950 -12.299 1.00 52.32 H new ATOM 0 HZ3 LYS B 2 14.293 -17.567 -12.373 1.00 52.32 H new ATOM 1041 N LYS B 3 7.775 -20.719 -11.560 1.00 1.51 N ATOM 1042 CA LYS B 3 6.838 -21.054 -12.627 1.00 54.32 C ATOM 1043 C LYS B 3 5.996 -19.841 -13.011 1.00 31.43 C ATOM 1044 O LYS B 3 6.211 -19.230 -14.059 1.00 41.13 O ATOM 1045 CB LYS B 3 5.928 -22.203 -12.191 1.00 62.12 C ATOM 1046 CG LYS B 3 6.505 -23.578 -12.480 1.00 1.13 C ATOM 1047 CD LYS B 3 6.123 -24.581 -11.404 1.00 41.15 C ATOM 1048 CE LYS B 3 4.988 -25.485 -11.862 1.00 31.45 C ATOM 1049 NZ LYS B 3 3.861 -25.499 -10.889 1.00 53.23 N ATOM 0 H LYS B 3 7.380 -20.142 -10.818 1.00 1.51 H new ATOM 0 HA LYS B 3 7.413 -21.366 -13.499 1.00 54.32 H new ATOM 0 HB2 LYS B 3 5.734 -22.117 -11.122 1.00 62.12 H new ATOM 0 HB3 LYS B 3 4.968 -22.107 -12.698 1.00 62.12 H new ATOM 0 HG2 LYS B 3 6.147 -23.928 -13.448 1.00 1.13 H new ATOM 0 HG3 LYS B 3 7.591 -23.511 -12.547 1.00 1.13 H new ATOM 0 HD2 LYS B 3 6.991 -25.188 -11.146 1.00 41.15 H new ATOM 0 HD3 LYS B 3 5.825 -24.050 -10.500 1.00 41.15 H new ATOM 0 HE2 LYS B 3 4.625 -25.148 -12.833 1.00 31.45 H new ATOM 0 HE3 LYS B 3 5.364 -26.499 -11.997 1.00 31.45 H new ATOM 0 HZ1 LYS B 3 3.109 -26.126 -11.238 1.00 53.23 H new ATOM 0 HZ2 LYS B 3 4.201 -25.845 -9.969 1.00 53.23 H new ATOM 0 HZ3 LYS B 3 3.485 -24.536 -10.779 1.00 53.23 H new ATOM 1063 N LEU B 4 5.038 -19.498 -12.157 1.00 22.11 N ATOM 1064 CA LEU B 4 4.163 -18.357 -12.407 1.00 73.50 C ATOM 1065 C LEU B 4 3.897 -17.583 -11.120 1.00 32.45 C ATOM 1066 O LEU B 4 3.116 -16.631 -11.107 1.00 73.50 O ATOM 1067 CB LEU B 4 2.841 -18.827 -13.016 1.00 33.30 C ATOM 1068 CG LEU B 4 1.842 -19.458 -12.045 1.00 3.51 C ATOM 1069 CD1 LEU B 4 2.555 -20.382 -11.071 1.00 42.13 C ATOM 1070 CD2 LEU B 4 1.074 -18.380 -11.294 1.00 5.52 C ATOM 0 H LEU B 4 4.847 -19.993 -11.286 1.00 22.11 H new ATOM 0 HA LEU B 4 4.664 -17.693 -13.111 1.00 73.50 H new ATOM 0 HB2 LEU B 4 2.361 -17.974 -13.496 1.00 33.30 H new ATOM 0 HB3 LEU B 4 3.062 -19.551 -13.800 1.00 33.30 H new ATOM 0 HG LEU B 4 1.130 -20.050 -12.621 1.00 3.51 H new ATOM 0 HD11 LEU B 4 1.828 -20.822 -10.388 1.00 42.13 H new ATOM 0 HD12 LEU B 4 3.059 -21.175 -11.624 1.00 42.13 H new ATOM 0 HD13 LEU B 4 3.290 -19.813 -10.502 1.00 42.13 H new ATOM 0 HD21 LEU B 4 0.368 -18.848 -10.608 1.00 5.52 H new ATOM 0 HD22 LEU B 4 1.772 -17.761 -10.730 1.00 5.52 H new ATOM 0 HD23 LEU B 4 0.531 -17.758 -12.005 1.00 5.52 H new ATOM 1082 N ARG B 5 4.553 -17.996 -10.040 1.00 11.15 N ATOM 1083 CA ARG B 5 4.388 -17.341 -8.749 1.00 21.22 C ATOM 1084 C ARG B 5 5.048 -15.965 -8.749 1.00 32.32 C ATOM 1085 O ARG B 5 4.522 -15.015 -8.172 1.00 34.04 O ATOM 1086 CB ARG B 5 4.983 -18.205 -7.635 1.00 10.31 C ATOM 1087 CG ARG B 5 4.151 -19.433 -7.307 1.00 31.53 C ATOM 1088 CD ARG B 5 4.681 -20.153 -6.077 1.00 53.05 C ATOM 1089 NE ARG B 5 3.845 -21.293 -5.706 1.00 14.35 N ATOM 1090 CZ ARG B 5 4.086 -22.069 -4.656 1.00 20.24 C ATOM 1091 NH1 ARG B 5 5.131 -21.830 -3.876 1.00 15.01 N ATOM 1092 NH2 ARG B 5 3.279 -23.087 -4.384 1.00 13.22 N ATOM 0 H ARG B 5 5.204 -18.781 -10.034 1.00 11.15 H new ATOM 0 HA ARG B 5 3.321 -17.212 -8.569 1.00 21.22 H new ATOM 0 HB2 ARG B 5 5.984 -18.522 -7.928 1.00 10.31 H new ATOM 0 HB3 ARG B 5 5.091 -17.599 -6.735 1.00 10.31 H new ATOM 0 HG2 ARG B 5 3.115 -19.138 -7.139 1.00 31.53 H new ATOM 0 HG3 ARG B 5 4.154 -20.114 -8.158 1.00 31.53 H new ATOM 0 HD2 ARG B 5 5.698 -20.496 -6.268 1.00 53.05 H new ATOM 0 HD3 ARG B 5 4.732 -19.454 -5.242 1.00 53.05 H new ATOM 0 HE ARG B 5 3.032 -21.504 -6.285 1.00 14.35 H new ATOM 0 HH11 ARG B 5 5.753 -21.048 -4.082 1.00 15.01 H new ATOM 0 HH12 ARG B 5 5.313 -22.428 -3.070 1.00 15.01 H new ATOM 0 HH21 ARG B 5 2.474 -23.273 -4.982 1.00 13.22 H new ATOM 0 HH22 ARG B 5 3.464 -23.683 -3.577 1.00 13.22 H new ATOM 1106 N GLU B 6 6.204 -15.870 -9.398 1.00 10.43 N ATOM 1107 CA GLU B 6 6.936 -14.611 -9.472 1.00 13.24 C ATOM 1108 C GLU B 6 6.044 -13.492 -10.001 1.00 40.30 C ATOM 1109 O GLU B 6 6.248 -12.321 -9.686 1.00 52.21 O ATOM 1110 CB GLU B 6 8.168 -14.763 -10.367 1.00 71.43 C ATOM 1111 CG GLU B 6 9.476 -14.828 -9.597 1.00 32.02 C ATOM 1112 CD GLU B 6 9.862 -16.246 -9.222 1.00 41.32 C ATOM 1113 OE1 GLU B 6 8.950 -17.062 -8.972 1.00 21.33 O ATOM 1114 OE2 GLU B 6 11.075 -16.540 -9.177 1.00 51.45 O ATOM 0 H GLU B 6 6.653 -16.649 -9.880 1.00 10.43 H new ATOM 0 HA GLU B 6 7.258 -14.349 -8.464 1.00 13.24 H new ATOM 0 HB2 GLU B 6 8.063 -15.668 -10.965 1.00 71.43 H new ATOM 0 HB3 GLU B 6 8.207 -13.925 -11.062 1.00 71.43 H new ATOM 0 HG2 GLU B 6 10.270 -14.386 -10.199 1.00 32.02 H new ATOM 0 HG3 GLU B 6 9.391 -14.227 -8.692 1.00 32.02 H new ATOM 1122 N GLU B 7 5.056 -13.864 -10.809 1.00 63.04 N ATOM 1123 CA GLU B 7 4.133 -12.892 -11.383 1.00 14.35 C ATOM 1124 C GLU B 7 3.501 -12.031 -10.293 1.00 4.34 C ATOM 1125 O GLU B 7 3.229 -10.849 -10.500 1.00 34.21 O ATOM 1126 CB GLU B 7 3.041 -13.603 -12.185 1.00 12.44 C ATOM 1127 CG GLU B 7 3.519 -14.135 -13.525 1.00 31.04 C ATOM 1128 CD GLU B 7 2.402 -14.234 -14.546 1.00 20.42 C ATOM 1129 OE1 GLU B 7 1.377 -14.880 -14.241 1.00 1.41 O ATOM 1130 OE2 GLU B 7 2.552 -13.667 -15.647 1.00 25.24 O ATOM 0 H GLU B 7 4.874 -14.830 -11.081 1.00 63.04 H new ATOM 0 HA GLU B 7 4.699 -12.243 -12.051 1.00 14.35 H new ATOM 0 HB2 GLU B 7 2.649 -14.431 -11.594 1.00 12.44 H new ATOM 0 HB3 GLU B 7 2.216 -12.911 -12.352 1.00 12.44 H new ATOM 0 HG2 GLU B 7 4.303 -13.484 -13.912 1.00 31.04 H new ATOM 0 HG3 GLU B 7 3.964 -15.120 -13.383 1.00 31.04 H new ATOM 1138 N ALA B 8 3.269 -12.634 -9.131 1.00 25.35 N ATOM 1139 CA ALA B 8 2.670 -11.925 -8.008 1.00 42.11 C ATOM 1140 C ALA B 8 3.681 -11.000 -7.342 1.00 52.41 C ATOM 1141 O ALA B 8 3.312 -9.991 -6.740 1.00 31.34 O ATOM 1142 CB ALA B 8 2.109 -12.914 -6.997 1.00 33.44 C ATOM 0 H ALA B 8 3.487 -13.613 -8.944 1.00 25.35 H new ATOM 0 HA ALA B 8 1.853 -11.313 -8.391 1.00 42.11 H new ATOM 0 HB1 ALA B 8 1.665 -12.370 -6.164 1.00 33.44 H new ATOM 0 HB2 ALA B 8 1.348 -13.530 -7.475 1.00 33.44 H new ATOM 0 HB3 ALA B 8 2.912 -13.551 -6.627 1.00 33.44 H new ATOM 1148 N ALA B 9 4.959 -11.349 -7.452 1.00 30.14 N ATOM 1149 CA ALA B 9 6.023 -10.548 -6.860 1.00 32.44 C ATOM 1150 C ALA B 9 5.991 -9.118 -7.385 1.00 54.30 C ATOM 1151 O ALA B 9 6.160 -8.163 -6.626 1.00 50.45 O ATOM 1152 CB ALA B 9 7.378 -11.184 -7.139 1.00 53.33 C ATOM 0 H ALA B 9 5.282 -12.181 -7.946 1.00 30.14 H new ATOM 0 HA ALA B 9 5.863 -10.515 -5.782 1.00 32.44 H new ATOM 0 HB1 ALA B 9 8.164 -10.576 -6.692 1.00 53.33 H new ATOM 0 HB2 ALA B 9 7.405 -12.186 -6.710 1.00 53.33 H new ATOM 0 HB3 ALA B 9 7.536 -11.246 -8.216 1.00 53.33 H new ATOM 1158 N LYS B 10 5.773 -8.974 -8.688 1.00 32.30 N ATOM 1159 CA LYS B 10 5.717 -7.660 -9.315 1.00 14.25 C ATOM 1160 C LYS B 10 4.669 -6.780 -8.643 1.00 61.42 C ATOM 1161 O LYS B 10 4.838 -5.564 -8.536 1.00 2.24 O ATOM 1162 CB LYS B 10 5.402 -7.796 -10.807 1.00 20.23 C ATOM 1163 CG LYS B 10 6.271 -8.818 -11.520 1.00 22.02 C ATOM 1164 CD LYS B 10 6.152 -8.694 -13.030 1.00 51.12 C ATOM 1165 CE LYS B 10 7.441 -9.101 -13.726 1.00 52.40 C ATOM 1166 NZ LYS B 10 8.239 -7.917 -14.152 1.00 74.51 N ATOM 0 H LYS B 10 5.632 -9.753 -9.331 1.00 32.30 H new ATOM 0 HA LYS B 10 6.692 -7.188 -9.197 1.00 14.25 H new ATOM 0 HB2 LYS B 10 4.355 -8.076 -10.925 1.00 20.23 H new ATOM 0 HB3 LYS B 10 5.529 -6.825 -11.287 1.00 20.23 H new ATOM 0 HG2 LYS B 10 7.311 -8.683 -11.224 1.00 22.02 H new ATOM 0 HG3 LYS B 10 5.980 -9.822 -11.212 1.00 22.02 H new ATOM 0 HD2 LYS B 10 5.333 -9.320 -13.384 1.00 51.12 H new ATOM 0 HD3 LYS B 10 5.904 -7.666 -13.293 1.00 51.12 H new ATOM 0 HE2 LYS B 10 8.037 -9.718 -13.054 1.00 52.40 H new ATOM 0 HE3 LYS B 10 7.206 -9.713 -14.597 1.00 52.40 H new ATOM 0 HZ1 LYS B 10 9.110 -8.236 -14.622 1.00 74.51 H new ATOM 0 HZ2 LYS B 10 7.680 -7.341 -14.813 1.00 74.51 H new ATOM 0 HZ3 LYS B 10 8.485 -7.346 -13.318 1.00 74.51 H new ATOM 1180 N LEU B 11 3.585 -7.401 -8.188 1.00 53.22 N ATOM 1181 CA LEU B 11 2.510 -6.674 -7.523 1.00 44.31 C ATOM 1182 C LEU B 11 3.055 -5.803 -6.396 1.00 34.23 C ATOM 1183 O LEU B 11 2.649 -4.652 -6.234 1.00 74.44 O ATOM 1184 CB LEU B 11 1.472 -7.653 -6.969 1.00 2.52 C ATOM 1185 CG LEU B 11 0.909 -8.667 -7.966 1.00 40.23 C ATOM 1186 CD1 LEU B 11 -0.197 -9.489 -7.322 1.00 50.30 C ATOM 1187 CD2 LEU B 11 0.395 -7.962 -9.213 1.00 73.43 C ATOM 0 H LEU B 11 3.428 -8.406 -8.268 1.00 53.22 H new ATOM 0 HA LEU B 11 2.034 -6.026 -8.260 1.00 44.31 H new ATOM 0 HB2 LEU B 11 1.923 -8.199 -6.140 1.00 2.52 H new ATOM 0 HB3 LEU B 11 0.642 -7.078 -6.558 1.00 2.52 H new ATOM 0 HG LEU B 11 1.712 -9.342 -8.261 1.00 40.23 H new ATOM 0 HD11 LEU B 11 -0.586 -10.205 -8.045 1.00 50.30 H new ATOM 0 HD12 LEU B 11 0.202 -10.024 -6.460 1.00 50.30 H new ATOM 0 HD13 LEU B 11 -1.000 -8.827 -6.998 1.00 50.30 H new ATOM 0 HD21 LEU B 11 -0.002 -8.700 -9.911 1.00 73.43 H new ATOM 0 HD22 LEU B 11 -0.394 -7.263 -8.937 1.00 73.43 H new ATOM 0 HD23 LEU B 11 1.212 -7.418 -9.686 1.00 73.43 H new ATOM 1199 N PHE B 12 3.981 -6.359 -5.621 1.00 75.50 N ATOM 1200 CA PHE B 12 4.585 -5.633 -4.510 1.00 63.12 C ATOM 1201 C PHE B 12 5.573 -4.587 -5.015 1.00 5.54 C ATOM 1202 O PHE B 12 5.786 -3.558 -4.375 1.00 30.43 O ATOM 1203 CB PHE B 12 5.292 -6.604 -3.563 1.00 74.41 C ATOM 1204 CG PHE B 12 4.364 -7.585 -2.906 1.00 20.43 C ATOM 1205 CD1 PHE B 12 3.152 -7.167 -2.380 1.00 63.00 C ATOM 1206 CD2 PHE B 12 4.703 -8.925 -2.815 1.00 73.52 C ATOM 1207 CE1 PHE B 12 2.297 -8.068 -1.775 1.00 64.51 C ATOM 1208 CE2 PHE B 12 3.851 -9.831 -2.211 1.00 72.32 C ATOM 1209 CZ PHE B 12 2.646 -9.402 -1.691 1.00 3.21 C ATOM 0 H PHE B 12 4.329 -7.310 -5.742 1.00 75.50 H new ATOM 0 HA PHE B 12 3.789 -5.122 -3.968 1.00 63.12 H new ATOM 0 HB2 PHE B 12 6.052 -7.152 -4.119 1.00 74.41 H new ATOM 0 HB3 PHE B 12 5.810 -6.034 -2.792 1.00 74.41 H new ATOM 0 HD1 PHE B 12 2.873 -6.126 -2.444 1.00 63.00 H new ATOM 0 HD2 PHE B 12 5.644 -9.266 -3.221 1.00 73.52 H new ATOM 0 HE1 PHE B 12 1.356 -7.729 -1.368 1.00 64.51 H new ATOM 0 HE2 PHE B 12 4.128 -10.873 -2.146 1.00 72.32 H new ATOM 0 HZ PHE B 12 1.978 -10.108 -1.220 1.00 3.21 H new ATOM 1219 N GLU B 13 6.174 -4.860 -6.170 1.00 41.35 N ATOM 1220 CA GLU B 13 7.142 -3.943 -6.762 1.00 45.44 C ATOM 1221 C GLU B 13 6.513 -2.574 -7.011 1.00 60.41 C ATOM 1222 O GLU B 13 7.099 -1.542 -6.684 1.00 61.21 O ATOM 1223 CB GLU B 13 7.681 -4.514 -8.075 1.00 53.20 C ATOM 1224 CG GLU B 13 9.188 -4.385 -8.220 1.00 33.23 C ATOM 1225 CD GLU B 13 9.589 -3.374 -9.276 1.00 40.50 C ATOM 1226 OE1 GLU B 13 10.387 -3.732 -10.167 1.00 21.25 O ATOM 1227 OE2 GLU B 13 9.106 -2.225 -9.212 1.00 53.31 O ATOM 0 H GLU B 13 6.008 -5.707 -6.713 1.00 41.35 H new ATOM 0 HA GLU B 13 7.967 -3.823 -6.060 1.00 45.44 H new ATOM 0 HB2 GLU B 13 7.406 -5.567 -8.144 1.00 53.20 H new ATOM 0 HB3 GLU B 13 7.199 -4.004 -8.909 1.00 53.20 H new ATOM 0 HG2 GLU B 13 9.618 -4.093 -7.262 1.00 33.23 H new ATOM 0 HG3 GLU B 13 9.609 -5.357 -8.475 1.00 33.23 H new ATOM 1235 N GLU B 14 5.317 -2.575 -7.591 1.00 71.43 N ATOM 1236 CA GLU B 14 4.609 -1.334 -7.885 1.00 74.25 C ATOM 1237 C GLU B 14 4.021 -0.730 -6.613 1.00 61.05 C ATOM 1238 O GLU B 14 3.847 0.484 -6.513 1.00 51.11 O ATOM 1239 CB GLU B 14 3.498 -1.584 -8.906 1.00 32.42 C ATOM 1240 CG GLU B 14 3.938 -2.426 -10.091 1.00 14.45 C ATOM 1241 CD GLU B 14 3.128 -2.143 -11.341 1.00 11.45 C ATOM 1242 OE1 GLU B 14 2.659 -3.111 -11.975 1.00 22.32 O ATOM 1243 OE2 GLU B 14 2.965 -0.953 -11.686 1.00 63.50 O ATOM 0 H GLU B 14 4.818 -3.421 -7.867 1.00 71.43 H new ATOM 0 HA GLU B 14 5.325 -0.627 -8.305 1.00 74.25 H new ATOM 0 HB2 GLU B 14 2.664 -2.080 -8.409 1.00 32.42 H new ATOM 0 HB3 GLU B 14 3.128 -0.625 -9.270 1.00 32.42 H new ATOM 0 HG2 GLU B 14 4.992 -2.237 -10.295 1.00 14.45 H new ATOM 0 HG3 GLU B 14 3.847 -3.482 -9.835 1.00 14.45 H new ATOM 1251 N TRP B 15 3.715 -1.587 -5.644 1.00 3.22 N ATOM 1252 CA TRP B 15 3.144 -1.138 -4.379 1.00 14.23 C ATOM 1253 C TRP B 15 4.039 -0.095 -3.718 1.00 34.41 C ATOM 1254 O TRP B 15 3.596 1.009 -3.404 1.00 45.11 O ATOM 1255 CB TRP B 15 2.942 -2.325 -3.438 1.00 21.53 C ATOM 1256 CG TRP B 15 1.553 -2.888 -3.479 1.00 11.33 C ATOM 1257 CD1 TRP B 15 0.661 -2.794 -4.510 1.00 15.33 C ATOM 1258 CD2 TRP B 15 0.897 -3.628 -2.446 1.00 72.52 C ATOM 1259 NE1 TRP B 15 -0.509 -3.431 -4.178 1.00 64.13 N ATOM 1260 CE2 TRP B 15 -0.390 -3.952 -2.917 1.00 22.02 C ATOM 1261 CE3 TRP B 15 1.272 -4.051 -1.167 1.00 64.11 C ATOM 1262 CZ2 TRP B 15 -1.301 -4.678 -2.155 1.00 62.01 C ATOM 1263 CZ3 TRP B 15 0.366 -4.771 -0.411 1.00 3.44 C ATOM 1264 CH2 TRP B 15 -0.908 -5.080 -0.907 1.00 44.52 C ATOM 0 H TRP B 15 3.853 -2.595 -5.710 1.00 3.22 H new ATOM 0 HA TRP B 15 2.177 -0.680 -4.587 1.00 14.23 H new ATOM 0 HB2 TRP B 15 3.652 -3.110 -3.698 1.00 21.53 H new ATOM 0 HB3 TRP B 15 3.170 -2.014 -2.419 1.00 21.53 H new ATOM 0 HD1 TRP B 15 0.849 -2.292 -5.448 1.00 15.33 H new ATOM 0 HE1 TRP B 15 -1.333 -3.504 -4.774 1.00 64.13 H new ATOM 0 HE3 TRP B 15 2.252 -3.819 -0.777 1.00 64.11 H new ATOM 0 HZ2 TRP B 15 -2.284 -4.916 -2.535 1.00 62.01 H new ATOM 0 HZ3 TRP B 15 0.645 -5.101 0.579 1.00 3.44 H new ATOM 0 HH2 TRP B 15 -1.593 -5.646 -0.293 1.00 44.52 H new ATOM 1275 N LYS B 16 5.302 -0.453 -3.510 1.00 75.35 N ATOM 1276 CA LYS B 16 6.261 0.451 -2.887 1.00 53.23 C ATOM 1277 C LYS B 16 6.640 1.582 -3.837 1.00 2.12 C ATOM 1278 O LYS B 16 7.134 2.626 -3.413 1.00 52.45 O ATOM 1279 CB LYS B 16 7.515 -0.315 -2.463 1.00 34.41 C ATOM 1280 CG LYS B 16 8.129 -1.141 -3.580 1.00 35.31 C ATOM 1281 CD LYS B 16 9.496 -1.680 -3.189 1.00 52.44 C ATOM 1282 CE LYS B 16 10.612 -0.954 -3.925 1.00 31.31 C ATOM 1283 NZ LYS B 16 11.821 -1.809 -4.079 1.00 11.34 N ATOM 0 H LYS B 16 5.685 -1.364 -3.764 1.00 75.35 H new ATOM 0 HA LYS B 16 5.792 0.884 -2.004 1.00 53.23 H new ATOM 0 HB2 LYS B 16 8.257 0.394 -2.096 1.00 34.41 H new ATOM 0 HB3 LYS B 16 7.265 -0.973 -1.631 1.00 34.41 H new ATOM 0 HG2 LYS B 16 7.467 -1.971 -3.826 1.00 35.31 H new ATOM 0 HG3 LYS B 16 8.221 -0.529 -4.478 1.00 35.31 H new ATOM 0 HD2 LYS B 16 9.637 -1.572 -2.114 1.00 52.44 H new ATOM 0 HD3 LYS B 16 9.545 -2.746 -3.411 1.00 52.44 H new ATOM 0 HE2 LYS B 16 10.258 -0.645 -4.908 1.00 31.31 H new ATOM 0 HE3 LYS B 16 10.875 -0.047 -3.382 1.00 31.31 H new ATOM 0 HZ1 LYS B 16 12.559 -1.279 -4.585 1.00 11.34 H new ATOM 0 HZ2 LYS B 16 12.174 -2.083 -3.140 1.00 11.34 H new ATOM 0 HZ3 LYS B 16 11.576 -2.663 -4.620 1.00 11.34 H new ATOM 1297 N LYS B 17 6.403 1.368 -5.128 1.00 14.12 N ATOM 1298 CA LYS B 17 6.717 2.369 -6.140 1.00 51.30 C ATOM 1299 C LYS B 17 5.764 3.557 -6.044 1.00 63.50 C ATOM 1300 O LYS B 17 6.196 4.705 -5.938 1.00 1.30 O ATOM 1301 CB LYS B 17 6.641 1.752 -7.538 1.00 62.04 C ATOM 1302 CG LYS B 17 7.345 2.572 -8.604 1.00 12.23 C ATOM 1303 CD LYS B 17 6.357 3.371 -9.438 1.00 34.52 C ATOM 1304 CE LYS B 17 7.036 4.023 -10.633 1.00 63.33 C ATOM 1305 NZ LYS B 17 7.242 3.058 -11.748 1.00 14.34 N ATOM 0 H LYS B 17 5.994 0.509 -5.497 1.00 14.12 H new ATOM 0 HA LYS B 17 7.732 2.724 -5.961 1.00 51.30 H new ATOM 0 HB2 LYS B 17 7.080 0.755 -7.510 1.00 62.04 H new ATOM 0 HB3 LYS B 17 5.594 1.632 -7.816 1.00 62.04 H new ATOM 0 HG2 LYS B 17 8.056 3.250 -8.132 1.00 12.23 H new ATOM 0 HG3 LYS B 17 7.919 1.910 -9.253 1.00 12.23 H new ATOM 0 HD2 LYS B 17 5.558 2.715 -9.785 1.00 34.52 H new ATOM 0 HD3 LYS B 17 5.893 4.138 -8.818 1.00 34.52 H new ATOM 0 HE2 LYS B 17 6.431 4.859 -10.983 1.00 63.33 H new ATOM 0 HE3 LYS B 17 7.998 4.433 -10.325 1.00 63.33 H new ATOM 0 HZ1 LYS B 17 7.707 3.541 -12.543 1.00 14.34 H new ATOM 0 HZ2 LYS B 17 7.841 2.273 -11.421 1.00 14.34 H new ATOM 0 HZ3 LYS B 17 6.322 2.686 -12.059 1.00 14.34 H new ATOM 1319 N LEU B 18 4.466 3.273 -6.081 1.00 31.52 N ATOM 1320 CA LEU B 18 3.452 4.318 -5.996 1.00 21.54 C ATOM 1321 C LEU B 18 3.638 5.157 -4.736 1.00 11.22 C ATOM 1322 O LEU B 18 3.249 6.323 -4.692 1.00 43.31 O ATOM 1323 CB LEU B 18 2.053 3.699 -6.008 1.00 61.11 C ATOM 1324 CG LEU B 18 1.500 3.316 -7.382 1.00 32.11 C ATOM 1325 CD1 LEU B 18 0.120 2.692 -7.247 1.00 32.52 C ATOM 1326 CD2 LEU B 18 1.450 4.533 -8.294 1.00 23.50 C ATOM 0 H LEU B 18 4.092 2.328 -6.169 1.00 31.52 H new ATOM 0 HA LEU B 18 3.563 4.969 -6.863 1.00 21.54 H new ATOM 0 HB2 LEU B 18 2.067 2.806 -5.383 1.00 61.11 H new ATOM 0 HB3 LEU B 18 1.362 4.403 -5.544 1.00 61.11 H new ATOM 0 HG LEU B 18 2.167 2.579 -7.829 1.00 32.11 H new ATOM 0 HD11 LEU B 18 -0.257 2.426 -8.234 1.00 32.52 H new ATOM 0 HD12 LEU B 18 0.185 1.796 -6.630 1.00 32.52 H new ATOM 0 HD13 LEU B 18 -0.558 3.406 -6.780 1.00 32.52 H new ATOM 0 HD21 LEU B 18 1.054 4.242 -9.267 1.00 23.50 H new ATOM 0 HD22 LEU B 18 0.805 5.293 -7.852 1.00 23.50 H new ATOM 0 HD23 LEU B 18 2.455 4.937 -8.417 1.00 23.50 H new ATOM 1338 N ALA B 19 4.239 4.556 -3.714 1.00 30.03 N ATOM 1339 CA ALA B 19 4.481 5.249 -2.456 1.00 52.32 C ATOM 1340 C ALA B 19 5.602 6.273 -2.600 1.00 51.31 C ATOM 1341 O ALA B 19 5.658 7.253 -1.858 1.00 41.45 O ATOM 1342 CB ALA B 19 4.815 4.249 -1.358 1.00 42.41 C ATOM 0 H ALA B 19 4.567 3.590 -3.734 1.00 30.03 H new ATOM 0 HA ALA B 19 3.570 5.782 -2.182 1.00 52.32 H new ATOM 0 HB1 ALA B 19 4.993 4.781 -0.423 1.00 42.41 H new ATOM 0 HB2 ALA B 19 3.982 3.558 -1.229 1.00 42.41 H new ATOM 0 HB3 ALA B 19 5.709 3.691 -1.634 1.00 42.41 H new ATOM 1348 N GLU B 20 6.493 6.038 -3.558 1.00 61.41 N ATOM 1349 CA GLU B 20 7.613 6.940 -3.797 1.00 41.43 C ATOM 1350 C GLU B 20 7.141 8.230 -4.461 1.00 1.50 C ATOM 1351 O GLU B 20 7.481 9.327 -4.021 1.00 55.11 O ATOM 1352 CB GLU B 20 8.667 6.260 -4.672 1.00 31.20 C ATOM 1353 CG GLU B 20 9.055 4.873 -4.190 1.00 33.52 C ATOM 1354 CD GLU B 20 10.542 4.744 -3.920 1.00 60.52 C ATOM 1355 OE1 GLU B 20 11.232 4.068 -4.712 1.00 72.02 O ATOM 1356 OE2 GLU B 20 11.015 5.317 -2.916 1.00 1.13 O ATOM 0 H GLU B 20 6.461 5.231 -4.181 1.00 61.41 H new ATOM 0 HA GLU B 20 8.057 7.189 -2.833 1.00 41.43 H new ATOM 0 HB2 GLU B 20 8.289 6.189 -5.692 1.00 31.20 H new ATOM 0 HB3 GLU B 20 9.558 6.886 -4.705 1.00 31.20 H new ATOM 0 HG2 GLU B 20 8.503 4.641 -3.279 1.00 33.52 H new ATOM 0 HG3 GLU B 20 8.760 4.137 -4.938 1.00 33.52 H new ATOM 1364 N GLU B 21 6.355 8.088 -5.524 1.00 42.23 N ATOM 1365 CA GLU B 21 5.836 9.242 -6.249 1.00 1.54 C ATOM 1366 C GLU B 21 4.748 9.948 -5.445 1.00 25.45 C ATOM 1367 O GLU B 21 4.796 11.161 -5.246 1.00 21.44 O ATOM 1368 CB GLU B 21 5.282 8.811 -7.609 1.00 21.22 C ATOM 1369 CG GLU B 21 6.258 7.986 -8.430 1.00 31.03 C ATOM 1370 CD GLU B 21 6.729 8.710 -9.678 1.00 70.22 C ATOM 1371 OE1 GLU B 21 6.675 8.105 -10.769 1.00 2.33 O ATOM 1372 OE2 GLU B 21 7.151 9.879 -9.562 1.00 63.12 O ATOM 0 H GLU B 21 6.064 7.186 -5.902 1.00 42.23 H new ATOM 0 HA GLU B 21 6.659 9.940 -6.404 1.00 1.54 H new ATOM 0 HB2 GLU B 21 4.371 8.233 -7.454 1.00 21.22 H new ATOM 0 HB3 GLU B 21 5.003 9.699 -8.176 1.00 21.22 H new ATOM 0 HG2 GLU B 21 7.121 7.732 -7.814 1.00 31.03 H new ATOM 0 HG3 GLU B 21 5.783 7.047 -8.716 1.00 31.03 H new ATOM 1380 N ALA B 22 3.768 9.178 -4.985 1.00 23.51 N ATOM 1381 CA ALA B 22 2.669 9.727 -4.202 1.00 64.55 C ATOM 1382 C ALA B 22 3.188 10.509 -3.000 1.00 11.24 C ATOM 1383 O ALA B 22 2.560 11.469 -2.554 1.00 71.51 O ATOM 1384 CB ALA B 22 1.737 8.614 -3.746 1.00 32.43 C ATOM 0 H ALA B 22 3.713 8.172 -5.141 1.00 23.51 H new ATOM 0 HA ALA B 22 2.112 10.415 -4.838 1.00 64.55 H new ATOM 0 HB1 ALA B 22 0.921 9.039 -3.162 1.00 32.43 H new ATOM 0 HB2 ALA B 22 1.331 8.100 -4.617 1.00 32.43 H new ATOM 0 HB3 ALA B 22 2.291 7.904 -3.132 1.00 32.43 H new ATOM 1390 N ALA B 23 4.338 10.092 -2.481 1.00 12.52 N ATOM 1391 CA ALA B 23 4.943 10.755 -1.332 1.00 63.44 C ATOM 1392 C ALA B 23 5.486 12.129 -1.713 1.00 22.11 C ATOM 1393 O ALA B 23 5.144 13.137 -1.095 1.00 64.21 O ATOM 1394 CB ALA B 23 6.051 9.891 -0.747 1.00 40.45 C ATOM 0 H ALA B 23 4.870 9.298 -2.838 1.00 12.52 H new ATOM 0 HA ALA B 23 4.170 10.896 -0.577 1.00 63.44 H new ATOM 0 HB1 ALA B 23 6.494 10.398 0.110 1.00 40.45 H new ATOM 0 HB2 ALA B 23 5.637 8.935 -0.428 1.00 40.45 H new ATOM 0 HB3 ALA B 23 6.817 9.721 -1.503 1.00 40.45 H new ATOM 1400 N LYS B 24 6.334 12.161 -2.735 1.00 51.10 N ATOM 1401 CA LYS B 24 6.924 13.411 -3.200 1.00 35.34 C ATOM 1402 C LYS B 24 5.852 14.351 -3.740 1.00 43.41 C ATOM 1403 O LYS B 24 5.957 15.572 -3.606 1.00 65.41 O ATOM 1404 CB LYS B 24 7.967 13.133 -4.285 1.00 13.34 C ATOM 1405 CG LYS B 24 7.428 12.332 -5.457 1.00 63.41 C ATOM 1406 CD LYS B 24 8.495 12.104 -6.515 1.00 63.05 C ATOM 1407 CE LYS B 24 8.455 13.183 -7.586 1.00 2.12 C ATOM 1408 NZ LYS B 24 7.349 12.961 -8.557 1.00 4.03 N ATOM 0 H LYS B 24 6.628 11.336 -3.257 1.00 51.10 H new ATOM 0 HA LYS B 24 7.410 13.892 -2.351 1.00 35.34 H new ATOM 0 HB2 LYS B 24 8.357 14.082 -4.653 1.00 13.34 H new ATOM 0 HB3 LYS B 24 8.805 12.594 -3.842 1.00 13.34 H new ATOM 0 HG2 LYS B 24 7.056 11.371 -5.102 1.00 63.41 H new ATOM 0 HG3 LYS B 24 6.582 12.858 -5.900 1.00 63.41 H new ATOM 0 HD2 LYS B 24 9.478 12.092 -6.045 1.00 63.05 H new ATOM 0 HD3 LYS B 24 8.350 11.127 -6.975 1.00 63.05 H new ATOM 0 HE2 LYS B 24 8.334 14.158 -7.114 1.00 2.12 H new ATOM 0 HE3 LYS B 24 9.406 13.202 -8.118 1.00 2.12 H new ATOM 0 HZ1 LYS B 24 7.484 13.577 -9.384 1.00 4.03 H new ATOM 0 HZ2 LYS B 24 7.349 11.967 -8.862 1.00 4.03 H new ATOM 0 HZ3 LYS B 24 6.440 13.184 -8.104 1.00 4.03 H new ATOM 1422 N LEU B 25 4.821 13.777 -4.350 1.00 2.31 N ATOM 1423 CA LEU B 25 3.727 14.565 -4.909 1.00 51.02 C ATOM 1424 C LEU B 25 2.793 15.058 -3.809 1.00 12.11 C ATOM 1425 O LEU B 25 2.317 16.194 -3.847 1.00 32.21 O ATOM 1426 CB LEU B 25 2.942 13.734 -5.925 1.00 1.04 C ATOM 1427 CG LEU B 25 3.230 14.028 -7.398 1.00 4.21 C ATOM 1428 CD1 LEU B 25 2.367 13.154 -8.295 1.00 2.33 C ATOM 1429 CD2 LEU B 25 3.000 15.501 -7.703 1.00 64.42 C ATOM 0 H LEU B 25 4.719 12.769 -4.470 1.00 2.31 H new ATOM 0 HA LEU B 25 4.156 15.432 -5.411 1.00 51.02 H new ATOM 0 HB2 LEU B 25 3.148 12.680 -5.739 1.00 1.04 H new ATOM 0 HB3 LEU B 25 1.878 13.888 -5.746 1.00 1.04 H new ATOM 0 HG LEU B 25 4.276 13.796 -7.597 1.00 4.21 H new ATOM 0 HD11 LEU B 25 2.585 13.377 -9.339 1.00 2.33 H new ATOM 0 HD12 LEU B 25 2.582 12.104 -8.095 1.00 2.33 H new ATOM 0 HD13 LEU B 25 1.314 13.354 -8.094 1.00 2.33 H new ATOM 0 HD21 LEU B 25 3.210 15.692 -8.755 1.00 64.42 H new ATOM 0 HD22 LEU B 25 1.963 15.760 -7.487 1.00 64.42 H new ATOM 0 HD23 LEU B 25 3.662 16.108 -7.085 1.00 64.42 H new ATOM 1441 N LEU B 26 2.537 14.200 -2.828 1.00 62.24 N ATOM 1442 CA LEU B 26 1.662 14.549 -1.715 1.00 72.41 C ATOM 1443 C LEU B 26 2.072 15.881 -1.096 1.00 22.24 C ATOM 1444 O LEU B 26 1.242 16.770 -0.908 1.00 31.43 O ATOM 1445 CB LEU B 26 1.693 13.449 -0.652 1.00 35.34 C ATOM 1446 CG LEU B 26 0.551 12.434 -0.702 1.00 32.20 C ATOM 1447 CD1 LEU B 26 0.955 11.141 -0.010 1.00 42.15 C ATOM 1448 CD2 LEU B 26 -0.705 13.012 -0.065 1.00 71.21 C ATOM 0 H LEU B 26 2.923 13.257 -2.781 1.00 62.24 H new ATOM 0 HA LEU B 26 0.647 14.646 -2.100 1.00 72.41 H new ATOM 0 HB2 LEU B 26 2.636 12.910 -0.744 1.00 35.34 H new ATOM 0 HB3 LEU B 26 1.690 13.921 0.331 1.00 35.34 H new ATOM 0 HG LEU B 26 0.335 12.211 -1.747 1.00 32.20 H new ATOM 0 HD11 LEU B 26 0.130 10.431 -0.056 1.00 42.15 H new ATOM 0 HD12 LEU B 26 1.826 10.718 -0.510 1.00 42.15 H new ATOM 0 HD13 LEU B 26 1.199 11.347 1.032 1.00 42.15 H new ATOM 0 HD21 LEU B 26 -1.507 12.276 -0.110 1.00 71.21 H new ATOM 0 HD22 LEU B 26 -0.502 13.265 0.976 1.00 71.21 H new ATOM 0 HD23 LEU B 26 -1.006 13.910 -0.604 1.00 71.21 H new ATOM 1460 N GLU B 27 3.358 16.013 -0.786 1.00 51.04 N ATOM 1461 CA GLU B 27 3.878 17.238 -0.190 1.00 41.10 C ATOM 1462 C GLU B 27 4.354 18.207 -1.268 1.00 50.20 C ATOM 1463 O GLU B 27 5.025 19.196 -0.976 1.00 24.12 O ATOM 1464 CB GLU B 27 5.027 16.918 0.769 1.00 3.52 C ATOM 1465 CG GLU B 27 4.744 15.741 1.685 1.00 53.13 C ATOM 1466 CD GLU B 27 5.864 15.492 2.677 1.00 31.32 C ATOM 1467 OE1 GLU B 27 6.984 15.160 2.235 1.00 10.15 O ATOM 1468 OE2 GLU B 27 5.622 15.630 3.894 1.00 33.31 O ATOM 0 H GLU B 27 4.058 15.287 -0.938 1.00 51.04 H new ATOM 0 HA GLU B 27 3.071 17.711 0.369 1.00 41.10 H new ATOM 0 HB2 GLU B 27 5.926 16.708 0.189 1.00 3.52 H new ATOM 0 HB3 GLU B 27 5.238 17.798 1.377 1.00 3.52 H new ATOM 0 HG2 GLU B 27 3.816 15.923 2.228 1.00 53.13 H new ATOM 0 HG3 GLU B 27 4.591 14.845 1.083 1.00 53.13 H new ATOM 1476 N GLY B 28 4.002 17.915 -2.517 1.00 70.24 N ATOM 1477 CA GLY B 28 4.402 18.768 -3.619 1.00 3.21 C ATOM 1478 C GLY B 28 3.900 20.190 -3.465 1.00 34.10 C ATOM 1479 O GLY B 28 4.366 21.099 -4.150 1.00 32.55 O ATOM 0 H GLY B 28 3.447 17.102 -2.784 1.00 70.24 H new ATOM 0 HA2 GLY B 28 5.490 18.776 -3.692 1.00 3.21 H new ATOM 0 HA3 GLY B 28 4.023 18.352 -4.552 1.00 3.21 H new ATOM 1483 N GLY B 29 2.944 20.383 -2.561 1.00 52.14 N ATOM 1484 CA GLY B 29 2.392 21.707 -2.336 1.00 35.23 C ATOM 1485 C GLY B 29 0.880 21.694 -2.228 1.00 72.01 C ATOM 1486 O GLY B 29 0.204 22.557 -2.786 1.00 53.14 O ATOM 0 H GLY B 29 2.542 19.647 -1.981 1.00 52.14 H new ATOM 0 HA2 GLY B 29 2.815 22.123 -1.422 1.00 35.23 H new ATOM 0 HA3 GLY B 29 2.689 22.365 -3.153 1.00 35.23 H new ATOM 1490 N GLY B 30 0.348 20.710 -1.508 1.00 55.20 N ATOM 1491 CA GLY B 30 -1.090 20.606 -1.344 1.00 53.13 C ATOM 1492 C GLY B 30 -1.557 21.115 0.006 1.00 31.43 C ATOM 1493 O GLY B 30 -2.229 20.400 0.747 1.00 62.43 O ATOM 0 H GLY B 30 0.887 19.984 -1.036 1.00 55.20 H new ATOM 0 HA2 GLY B 30 -1.585 21.172 -2.133 1.00 53.13 H new ATOM 0 HA3 GLY B 30 -1.392 19.565 -1.461 1.00 53.13 H new ATOM 1497 N GLY B 31 -1.198 22.354 0.327 1.00 14.32 N ATOM 1498 CA GLY B 31 -1.592 22.936 1.597 1.00 32.11 C ATOM 1499 C GLY B 31 -1.089 22.135 2.781 1.00 63.33 C ATOM 1500 O GLY B 31 0.013 21.591 2.749 1.00 31.22 O ATOM 0 H GLY B 31 -0.641 22.966 -0.270 1.00 14.32 H new ATOM 0 HA2 GLY B 31 -1.208 23.954 1.661 1.00 32.11 H new ATOM 0 HA3 GLY B 31 -2.679 23.002 1.642 1.00 32.11 H new ATOM 1504 N GLY B 32 -1.901 22.064 3.833 1.00 53.53 N ATOM 1505 CA GLY B 32 -1.514 21.324 5.020 1.00 41.10 C ATOM 1506 C GLY B 32 -2.162 19.955 5.086 1.00 13.24 C ATOM 1507 O GLY B 32 -3.386 19.841 5.117 1.00 3.02 O ATOM 0 H GLY B 32 -2.819 22.506 3.884 1.00 53.53 H new ATOM 0 HA2 GLY B 32 -0.430 21.211 5.037 1.00 41.10 H new ATOM 0 HA3 GLY B 32 -1.788 21.896 5.907 1.00 41.10 H new ATOM 1511 N GLY B 33 -1.337 18.913 5.106 1.00 25.54 N ATOM 1512 CA GLY B 33 -1.855 17.558 5.166 1.00 22.34 C ATOM 1513 C GLY B 33 -0.764 16.513 5.039 1.00 14.42 C ATOM 1514 O GLY B 33 -0.977 15.447 4.464 1.00 63.05 O ATOM 0 H GLY B 33 -0.320 18.982 5.082 1.00 25.54 H new ATOM 0 HA2 GLY B 33 -2.382 17.415 6.109 1.00 22.34 H new ATOM 0 HA3 GLY B 33 -2.584 17.416 4.369 1.00 22.34 H new ATOM 1518 N GLY B 34 0.413 16.821 5.578 1.00 41.21 N ATOM 1519 CA GLY B 34 1.525 15.892 5.510 1.00 30.50 C ATOM 1520 C GLY B 34 2.451 16.005 6.706 1.00 44.33 C ATOM 1521 O GLY B 34 2.234 15.362 7.731 1.00 20.50 O ATOM 0 H GLY B 34 0.615 17.697 6.060 1.00 41.21 H new ATOM 0 HA2 GLY B 34 1.140 14.874 5.447 1.00 30.50 H new ATOM 0 HA3 GLY B 34 2.092 16.075 4.597 1.00 30.50 H new ATOM 1525 N GLY B 35 3.486 16.828 6.574 1.00 35.24 N ATOM 1526 CA GLY B 35 4.433 17.008 7.659 1.00 34.22 C ATOM 1527 C GLY B 35 4.950 15.691 8.202 1.00 72.14 C ATOM 1528 O GLY B 35 5.475 14.867 7.455 1.00 51.31 O ATOM 0 H GLY B 35 3.686 17.373 5.736 1.00 35.24 H new ATOM 0 HA2 GLY B 35 5.273 17.608 7.308 1.00 34.22 H new ATOM 0 HA3 GLY B 35 3.956 17.567 8.464 1.00 34.22 H new ATOM 1532 N GLU B 36 4.801 15.492 9.509 1.00 43.04 N ATOM 1533 CA GLU B 36 5.259 14.267 10.152 1.00 24.33 C ATOM 1534 C GLU B 36 4.302 13.112 9.866 1.00 44.12 C ATOM 1535 O GLU B 36 4.692 11.944 9.900 1.00 13.44 O ATOM 1536 CB GLU B 36 5.389 14.474 11.662 1.00 70.13 C ATOM 1537 CG GLU B 36 5.566 13.182 12.441 1.00 62.24 C ATOM 1538 CD GLU B 36 5.734 13.416 13.930 1.00 31.24 C ATOM 1539 OE1 GLU B 36 6.818 13.098 14.461 1.00 33.33 O ATOM 1540 OE2 GLU B 36 4.782 13.917 14.563 1.00 41.04 O ATOM 0 H GLU B 36 4.367 16.164 10.142 1.00 43.04 H new ATOM 0 HA GLU B 36 6.237 14.016 9.742 1.00 24.33 H new ATOM 0 HB2 GLU B 36 6.240 15.126 11.859 1.00 70.13 H new ATOM 0 HB3 GLU B 36 4.501 14.990 12.027 1.00 70.13 H new ATOM 0 HG2 GLU B 36 4.701 12.540 12.273 1.00 62.24 H new ATOM 0 HG3 GLU B 36 6.437 12.649 12.060 1.00 62.24 H new ATOM 1548 N LEU B 37 3.047 13.448 9.587 1.00 5.12 N ATOM 1549 CA LEU B 37 2.033 12.440 9.296 1.00 2.22 C ATOM 1550 C LEU B 37 2.415 11.622 8.067 1.00 10.04 C ATOM 1551 O LEU B 37 1.955 10.494 7.892 1.00 44.34 O ATOM 1552 CB LEU B 37 0.673 13.106 9.076 1.00 74.23 C ATOM 1553 CG LEU B 37 0.243 13.291 7.621 1.00 20.32 C ATOM 1554 CD1 LEU B 37 -0.469 12.048 7.112 1.00 23.14 C ATOM 1555 CD2 LEU B 37 -0.651 14.515 7.480 1.00 75.23 C ATOM 0 H LEU B 37 2.708 14.409 9.556 1.00 5.12 H new ATOM 0 HA LEU B 37 1.968 11.768 10.151 1.00 2.22 H new ATOM 0 HB2 LEU B 37 -0.086 12.512 9.585 1.00 74.23 H new ATOM 0 HB3 LEU B 37 0.688 14.084 9.556 1.00 74.23 H new ATOM 0 HG LEU B 37 1.136 13.446 7.016 1.00 20.32 H new ATOM 0 HD11 LEU B 37 -0.768 12.199 6.075 1.00 23.14 H new ATOM 0 HD12 LEU B 37 0.203 11.192 7.176 1.00 23.14 H new ATOM 0 HD13 LEU B 37 -1.354 11.861 7.720 1.00 23.14 H new ATOM 0 HD21 LEU B 37 -0.947 14.631 6.437 1.00 75.23 H new ATOM 0 HD22 LEU B 37 -1.540 14.389 8.098 1.00 75.23 H new ATOM 0 HD23 LEU B 37 -0.107 15.402 7.803 1.00 75.23 H new ATOM 1567 N MET B 38 3.263 12.196 7.219 1.00 44.54 N ATOM 1568 CA MET B 38 3.709 11.519 6.008 1.00 71.23 C ATOM 1569 C MET B 38 4.320 10.161 6.339 1.00 24.40 C ATOM 1570 O MET B 38 4.324 9.251 5.509 1.00 70.12 O ATOM 1571 CB MET B 38 4.728 12.381 5.262 1.00 13.43 C ATOM 1572 CG MET B 38 5.206 11.765 3.956 1.00 34.45 C ATOM 1573 SD MET B 38 7.001 11.612 3.877 1.00 25.02 S ATOM 1574 CE MET B 38 7.303 10.464 5.218 1.00 50.11 C ATOM 0 H MET B 38 3.655 13.129 7.349 1.00 44.54 H new ATOM 0 HA MET B 38 2.840 11.361 5.369 1.00 71.23 H new ATOM 0 HB2 MET B 38 4.285 13.355 5.054 1.00 13.43 H new ATOM 0 HB3 MET B 38 5.588 12.554 5.909 1.00 13.43 H new ATOM 0 HG2 MET B 38 4.756 10.780 3.837 1.00 34.45 H new ATOM 0 HG3 MET B 38 4.860 12.376 3.122 1.00 34.45 H new ATOM 0 HE1 MET B 38 8.366 10.228 5.262 1.00 50.11 H new ATOM 0 HE2 MET B 38 6.992 10.915 6.160 1.00 50.11 H new ATOM 0 HE3 MET B 38 6.735 9.549 5.049 1.00 50.11 H new ATOM 1584 N LYS B 39 4.836 10.030 7.557 1.00 4.21 N ATOM 1585 CA LYS B 39 5.449 8.783 7.999 1.00 64.44 C ATOM 1586 C LYS B 39 4.495 7.609 7.804 1.00 71.42 C ATOM 1587 O LYS B 39 4.925 6.470 7.616 1.00 53.41 O ATOM 1588 CB LYS B 39 5.856 8.885 9.470 1.00 64.42 C ATOM 1589 CG LYS B 39 6.463 7.607 10.023 1.00 30.35 C ATOM 1590 CD LYS B 39 7.739 7.887 10.801 1.00 43.22 C ATOM 1591 CE LYS B 39 8.611 6.646 10.906 1.00 24.35 C ATOM 1592 NZ LYS B 39 9.952 6.956 11.474 1.00 71.45 N ATOM 0 H LYS B 39 4.842 10.773 8.256 1.00 4.21 H new ATOM 0 HA LYS B 39 6.339 8.609 7.394 1.00 64.44 H new ATOM 0 HB2 LYS B 39 6.574 9.697 9.584 1.00 64.42 H new ATOM 0 HB3 LYS B 39 4.980 9.148 10.063 1.00 64.42 H new ATOM 0 HG2 LYS B 39 5.741 7.111 10.672 1.00 30.35 H new ATOM 0 HG3 LYS B 39 6.678 6.921 9.204 1.00 30.35 H new ATOM 0 HD2 LYS B 39 8.297 8.685 10.311 1.00 43.22 H new ATOM 0 HD3 LYS B 39 7.487 8.241 11.800 1.00 43.22 H new ATOM 0 HE2 LYS B 39 8.114 5.905 11.532 1.00 24.35 H new ATOM 0 HE3 LYS B 39 8.729 6.201 9.918 1.00 24.35 H new ATOM 0 HZ1 LYS B 39 10.516 6.084 11.529 1.00 71.45 H new ATOM 0 HZ2 LYS B 39 10.437 7.644 10.863 1.00 71.45 H new ATOM 0 HZ3 LYS B 39 9.841 7.357 12.427 1.00 71.45 H new ATOM 1606 N LEU B 40 3.198 7.893 7.849 1.00 24.13 N ATOM 1607 CA LEU B 40 2.182 6.860 7.676 1.00 43.23 C ATOM 1608 C LEU B 40 2.135 6.380 6.228 1.00 61.45 C ATOM 1609 O LEU B 40 1.914 5.197 5.963 1.00 43.32 O ATOM 1610 CB LEU B 40 0.809 7.391 8.094 1.00 14.23 C ATOM 1611 CG LEU B 40 0.269 6.876 9.428 1.00 21.40 C ATOM 1612 CD1 LEU B 40 -1.017 7.600 9.798 1.00 30.00 C ATOM 1613 CD2 LEU B 40 0.037 5.373 9.365 1.00 5.42 C ATOM 0 H LEU B 40 2.825 8.830 8.004 1.00 24.13 H new ATOM 0 HA LEU B 40 2.446 6.015 8.312 1.00 43.23 H new ATOM 0 HB2 LEU B 40 0.861 8.479 8.141 1.00 14.23 H new ATOM 0 HB3 LEU B 40 0.091 7.140 7.313 1.00 14.23 H new ATOM 0 HG LEU B 40 1.011 7.077 10.201 1.00 21.40 H new ATOM 0 HD11 LEU B 40 -1.387 7.220 10.750 1.00 30.00 H new ATOM 0 HD12 LEU B 40 -0.821 8.669 9.885 1.00 30.00 H new ATOM 0 HD13 LEU B 40 -1.766 7.430 9.024 1.00 30.00 H new ATOM 0 HD21 LEU B 40 -0.347 5.024 10.323 1.00 5.42 H new ATOM 0 HD22 LEU B 40 -0.686 5.149 8.581 1.00 5.42 H new ATOM 0 HD23 LEU B 40 0.978 4.868 9.146 1.00 5.42 H new ATOM 1625 N CYS B 41 2.346 7.303 5.297 1.00 12.15 N ATOM 1626 CA CYS B 41 2.329 6.974 3.876 1.00 72.34 C ATOM 1627 C CYS B 41 3.563 6.164 3.491 1.00 24.22 C ATOM 1628 O CYS B 41 3.498 5.292 2.625 1.00 72.41 O ATOM 1629 CB CYS B 41 2.261 8.251 3.037 1.00 23.22 C ATOM 1630 SG CYS B 41 1.027 9.443 3.606 1.00 71.34 S ATOM 0 H CYS B 41 2.531 8.285 5.500 1.00 12.15 H new ATOM 0 HA CYS B 41 1.444 6.370 3.678 1.00 72.34 H new ATOM 0 HB2 CYS B 41 3.241 8.728 3.041 1.00 23.22 H new ATOM 0 HB3 CYS B 41 2.042 7.983 2.004 1.00 23.22 H new ATOM 0 HG CYS B 41 -0.098 9.230 2.991 1.00 71.34 H new ATOM 1636 N GLU B 42 4.685 6.459 4.140 1.00 22.34 N ATOM 1637 CA GLU B 42 5.933 5.759 3.862 1.00 34.34 C ATOM 1638 C GLU B 42 5.786 4.261 4.118 1.00 4.52 C ATOM 1639 O GLU B 42 6.511 3.449 3.544 1.00 0.31 O ATOM 1640 CB GLU B 42 7.064 6.325 4.724 1.00 43.01 C ATOM 1641 CG GLU B 42 8.318 6.666 3.937 1.00 41.01 C ATOM 1642 CD GLU B 42 9.519 6.914 4.829 1.00 62.24 C ATOM 1643 OE1 GLU B 42 9.415 6.658 6.047 1.00 44.55 O ATOM 1644 OE2 GLU B 42 10.561 7.365 4.311 1.00 31.43 O ATOM 0 H GLU B 42 4.755 7.177 4.861 1.00 22.34 H new ATOM 0 HA GLU B 42 6.177 5.909 2.810 1.00 34.34 H new ATOM 0 HB2 GLU B 42 6.709 7.222 5.231 1.00 43.01 H new ATOM 0 HB3 GLU B 42 7.317 5.600 5.498 1.00 43.01 H new ATOM 0 HG2 GLU B 42 8.543 5.851 3.249 1.00 41.01 H new ATOM 0 HG3 GLU B 42 8.132 7.552 3.331 1.00 41.01 H new ATOM 1652 N GLU B 43 4.842 3.905 4.983 1.00 25.51 N ATOM 1653 CA GLU B 43 4.600 2.506 5.316 1.00 3.12 C ATOM 1654 C GLU B 43 4.359 1.681 4.054 1.00 43.33 C ATOM 1655 O GLU B 43 4.790 0.532 3.960 1.00 43.11 O ATOM 1656 CB GLU B 43 3.400 2.382 6.256 1.00 63.31 C ATOM 1657 CG GLU B 43 3.570 3.138 7.563 1.00 20.14 C ATOM 1658 CD GLU B 43 3.483 2.233 8.777 1.00 44.11 C ATOM 1659 OE1 GLU B 43 2.702 2.551 9.698 1.00 53.23 O ATOM 1660 OE2 GLU B 43 4.194 1.207 8.804 1.00 64.51 O ATOM 0 H GLU B 43 4.233 4.565 5.466 1.00 25.51 H new ATOM 0 HA GLU B 43 5.487 2.120 5.819 1.00 3.12 H new ATOM 0 HB2 GLU B 43 2.510 2.751 5.746 1.00 63.31 H new ATOM 0 HB3 GLU B 43 3.228 1.328 6.475 1.00 63.31 H new ATOM 0 HG2 GLU B 43 4.534 3.646 7.562 1.00 20.14 H new ATOM 0 HG3 GLU B 43 2.803 3.910 7.634 1.00 20.14 H new ATOM 1668 N ALA B 44 3.667 2.276 3.088 1.00 12.02 N ATOM 1669 CA ALA B 44 3.369 1.598 1.832 1.00 54.11 C ATOM 1670 C ALA B 44 4.633 1.015 1.211 1.00 34.21 C ATOM 1671 O ALA B 44 4.631 -0.112 0.716 1.00 65.34 O ATOM 1672 CB ALA B 44 2.696 2.557 0.862 1.00 51.11 C ATOM 0 H ALA B 44 3.302 3.226 3.151 1.00 12.02 H new ATOM 0 HA ALA B 44 2.687 0.775 2.044 1.00 54.11 H new ATOM 0 HB1 ALA B 44 2.479 2.038 -0.071 1.00 51.11 H new ATOM 0 HB2 ALA B 44 1.766 2.923 1.298 1.00 51.11 H new ATOM 0 HB3 ALA B 44 3.359 3.399 0.663 1.00 51.11 H new ATOM 1678 N ALA B 45 5.713 1.790 1.239 1.00 32.34 N ATOM 1679 CA ALA B 45 6.984 1.348 0.679 1.00 34.54 C ATOM 1680 C ALA B 45 7.668 0.339 1.595 1.00 62.25 C ATOM 1681 O ALA B 45 8.500 -0.452 1.154 1.00 32.23 O ATOM 1682 CB ALA B 45 7.896 2.542 0.434 1.00 23.24 C ATOM 0 H ALA B 45 5.733 2.726 1.643 1.00 32.34 H new ATOM 0 HA ALA B 45 6.781 0.856 -0.272 1.00 34.54 H new ATOM 0 HB1 ALA B 45 8.842 2.198 0.016 1.00 23.24 H new ATOM 0 HB2 ALA B 45 7.418 3.227 -0.266 1.00 23.24 H new ATOM 0 HB3 ALA B 45 8.082 3.057 1.376 1.00 23.24 H new ATOM 1688 N LYS B 46 7.310 0.372 2.874 1.00 70.54 N ATOM 1689 CA LYS B 46 7.886 -0.542 3.854 1.00 55.52 C ATOM 1690 C LYS B 46 7.253 -1.924 3.750 1.00 11.05 C ATOM 1691 O LYS B 46 7.946 -2.941 3.797 1.00 23.31 O ATOM 1692 CB LYS B 46 7.698 0.011 5.269 1.00 55.44 C ATOM 1693 CG LYS B 46 8.034 -0.988 6.363 1.00 22.20 C ATOM 1694 CD LYS B 46 8.938 -0.375 7.419 1.00 21.14 C ATOM 1695 CE LYS B 46 9.733 -1.441 8.157 1.00 75.22 C ATOM 1696 NZ LYS B 46 11.164 -1.057 8.314 1.00 22.10 N ATOM 0 H LYS B 46 6.623 1.022 3.257 1.00 70.54 H new ATOM 0 HA LYS B 46 8.952 -0.634 3.644 1.00 55.52 H new ATOM 0 HB2 LYS B 46 8.325 0.895 5.391 1.00 55.44 H new ATOM 0 HB3 LYS B 46 6.664 0.334 5.389 1.00 55.44 H new ATOM 0 HG2 LYS B 46 7.114 -1.340 6.830 1.00 22.20 H new ATOM 0 HG3 LYS B 46 8.523 -1.858 5.925 1.00 22.20 H new ATOM 0 HD2 LYS B 46 9.623 0.331 6.949 1.00 21.14 H new ATOM 0 HD3 LYS B 46 8.337 0.190 8.131 1.00 21.14 H new ATOM 0 HE2 LYS B 46 9.292 -1.608 9.140 1.00 75.22 H new ATOM 0 HE3 LYS B 46 9.667 -2.384 7.614 1.00 75.22 H new ATOM 0 HZ1 LYS B 46 11.672 -1.809 8.822 1.00 22.10 H new ATOM 0 HZ2 LYS B 46 11.592 -0.923 7.376 1.00 22.10 H new ATOM 0 HZ3 LYS B 46 11.228 -0.171 8.854 1.00 22.10 H new ATOM 1710 N LYS B 47 5.933 -1.956 3.604 1.00 65.42 N ATOM 1711 CA LYS B 47 5.205 -3.214 3.490 1.00 25.04 C ATOM 1712 C LYS B 47 5.770 -4.068 2.358 1.00 42.35 C ATOM 1713 O LYS B 47 6.173 -5.210 2.572 1.00 32.44 O ATOM 1714 CB LYS B 47 3.718 -2.947 3.247 1.00 72.33 C ATOM 1715 CG LYS B 47 3.018 -2.291 4.425 1.00 33.23 C ATOM 1716 CD LYS B 47 3.127 -3.140 5.681 1.00 75.11 C ATOM 1717 CE LYS B 47 4.243 -2.647 6.590 1.00 73.43 C ATOM 1718 NZ LYS B 47 3.936 -2.892 8.027 1.00 34.35 N ATOM 0 H LYS B 47 5.345 -1.124 3.562 1.00 65.42 H new ATOM 0 HA LYS B 47 5.322 -3.759 4.427 1.00 25.04 H new ATOM 0 HB2 LYS B 47 3.610 -2.309 2.370 1.00 72.33 H new ATOM 0 HB3 LYS B 47 3.221 -3.890 3.018 1.00 72.33 H new ATOM 0 HG2 LYS B 47 3.455 -1.310 4.609 1.00 33.23 H new ATOM 0 HG3 LYS B 47 1.967 -2.131 4.182 1.00 33.23 H new ATOM 0 HD2 LYS B 47 2.180 -3.118 6.220 1.00 75.11 H new ATOM 0 HD3 LYS B 47 3.312 -4.178 5.405 1.00 75.11 H new ATOM 0 HE2 LYS B 47 5.174 -3.149 6.327 1.00 73.43 H new ATOM 0 HE3 LYS B 47 4.399 -1.580 6.428 1.00 73.43 H new ATOM 0 HZ1 LYS B 47 4.720 -2.542 8.614 1.00 34.35 H new ATOM 0 HZ2 LYS B 47 3.061 -2.393 8.285 1.00 34.35 H new ATOM 0 HZ3 LYS B 47 3.812 -3.912 8.187 1.00 34.35 H new ATOM 1732 N ALA B 48 5.795 -3.505 1.154 1.00 1.22 N ATOM 1733 CA ALA B 48 6.313 -4.213 -0.010 1.00 73.31 C ATOM 1734 C ALA B 48 7.750 -4.671 0.221 1.00 60.00 C ATOM 1735 O ALA B 48 8.137 -5.762 -0.195 1.00 42.11 O ATOM 1736 CB ALA B 48 6.230 -3.329 -1.245 1.00 14.42 C ATOM 0 H ALA B 48 5.462 -2.561 0.960 1.00 1.22 H new ATOM 0 HA ALA B 48 5.698 -5.099 -0.170 1.00 73.31 H new ATOM 0 HB1 ALA B 48 6.620 -3.870 -2.107 1.00 14.42 H new ATOM 0 HB2 ALA B 48 5.191 -3.056 -1.428 1.00 14.42 H new ATOM 0 HB3 ALA B 48 6.820 -2.426 -1.086 1.00 14.42 H new ATOM 1742 N GLU B 49 8.535 -3.828 0.885 1.00 1.01 N ATOM 1743 CA GLU B 49 9.929 -4.147 1.169 1.00 23.43 C ATOM 1744 C GLU B 49 10.034 -5.377 2.066 1.00 40.02 C ATOM 1745 O GLU B 49 10.888 -6.238 1.857 1.00 71.40 O ATOM 1746 CB GLU B 49 10.622 -2.957 1.834 1.00 35.24 C ATOM 1747 CG GLU B 49 12.136 -3.089 1.893 1.00 42.42 C ATOM 1748 CD GLU B 49 12.847 -1.996 1.119 1.00 12.11 C ATOM 1749 OE1 GLU B 49 12.859 -0.843 1.598 1.00 14.12 O ATOM 1750 OE2 GLU B 49 13.390 -2.294 0.035 1.00 15.11 O ATOM 0 H GLU B 49 8.230 -2.920 1.236 1.00 1.01 H new ATOM 0 HA GLU B 49 10.425 -4.365 0.223 1.00 23.43 H new ATOM 0 HB2 GLU B 49 10.366 -2.048 1.290 1.00 35.24 H new ATOM 0 HB3 GLU B 49 10.236 -2.842 2.847 1.00 35.24 H new ATOM 0 HG2 GLU B 49 12.459 -3.061 2.934 1.00 42.42 H new ATOM 0 HG3 GLU B 49 12.428 -4.060 1.494 1.00 42.42 H new ATOM 1758 N GLU B 50 9.160 -5.450 3.065 1.00 21.34 N ATOM 1759 CA GLU B 50 9.156 -6.574 3.995 1.00 53.15 C ATOM 1760 C GLU B 50 8.580 -7.823 3.336 1.00 63.11 C ATOM 1761 O GLU B 50 9.109 -8.924 3.497 1.00 70.23 O ATOM 1762 CB GLU B 50 8.347 -6.225 5.247 1.00 4.41 C ATOM 1763 CG GLU B 50 9.159 -5.521 6.320 1.00 30.24 C ATOM 1764 CD GLU B 50 8.759 -5.939 7.723 1.00 3.42 C ATOM 1765 OE1 GLU B 50 9.298 -6.951 8.215 1.00 63.54 O ATOM 1766 OE2 GLU B 50 7.908 -5.252 8.325 1.00 3.10 O ATOM 0 H GLU B 50 8.446 -4.745 3.251 1.00 21.34 H new ATOM 0 HA GLU B 50 10.187 -6.779 4.282 1.00 53.15 H new ATOM 0 HB2 GLU B 50 7.509 -5.589 4.962 1.00 4.41 H new ATOM 0 HB3 GLU B 50 7.926 -7.140 5.664 1.00 4.41 H new ATOM 0 HG2 GLU B 50 10.217 -5.735 6.169 1.00 30.24 H new ATOM 0 HG3 GLU B 50 9.034 -4.443 6.216 1.00 30.24 H new ATOM 1774 N LEU B 51 7.493 -7.645 2.593 1.00 34.54 N ATOM 1775 CA LEU B 51 6.844 -8.758 1.908 1.00 71.43 C ATOM 1776 C LEU B 51 7.782 -9.391 0.886 1.00 32.21 C ATOM 1777 O LEU B 51 7.979 -10.606 0.876 1.00 22.30 O ATOM 1778 CB LEU B 51 5.565 -8.282 1.218 1.00 61.32 C ATOM 1779 CG LEU B 51 4.265 -8.489 1.995 1.00 34.51 C ATOM 1780 CD1 LEU B 51 3.195 -7.523 1.513 1.00 61.23 C ATOM 1781 CD2 LEU B 51 3.787 -9.928 1.863 1.00 5.12 C ATOM 0 H LEU B 51 7.043 -6.741 2.449 1.00 34.54 H new ATOM 0 HA LEU B 51 6.588 -9.511 2.653 1.00 71.43 H new ATOM 0 HB2 LEU B 51 5.668 -7.219 0.999 1.00 61.32 H new ATOM 0 HB3 LEU B 51 5.479 -8.798 0.262 1.00 61.32 H new ATOM 0 HG LEU B 51 4.459 -8.287 3.049 1.00 34.51 H new ATOM 0 HD11 LEU B 51 2.277 -7.686 2.078 1.00 61.23 H new ATOM 0 HD12 LEU B 51 3.536 -6.498 1.662 1.00 61.23 H new ATOM 0 HD13 LEU B 51 3.004 -7.691 0.453 1.00 61.23 H new ATOM 0 HD21 LEU B 51 2.861 -10.056 2.423 1.00 5.12 H new ATOM 0 HD22 LEU B 51 3.611 -10.158 0.812 1.00 5.12 H new ATOM 0 HD23 LEU B 51 4.547 -10.602 2.260 1.00 5.12 H new ATOM 1793 N PHE B 52 8.362 -8.558 0.028 1.00 3.34 N ATOM 1794 CA PHE B 52 9.282 -9.035 -0.999 1.00 62.35 C ATOM 1795 C PHE B 52 10.403 -9.864 -0.381 1.00 32.24 C ATOM 1796 O PHE B 52 10.923 -10.790 -1.004 1.00 74.22 O ATOM 1797 CB PHE B 52 9.871 -7.856 -1.774 1.00 41.30 C ATOM 1798 CG PHE B 52 10.965 -8.249 -2.724 1.00 30.40 C ATOM 1799 CD1 PHE B 52 10.729 -9.175 -3.727 1.00 10.45 C ATOM 1800 CD2 PHE B 52 12.229 -7.693 -2.614 1.00 34.12 C ATOM 1801 CE1 PHE B 52 11.735 -9.539 -4.602 1.00 24.54 C ATOM 1802 CE2 PHE B 52 13.240 -8.054 -3.486 1.00 25.31 C ATOM 1803 CZ PHE B 52 12.991 -8.978 -4.482 1.00 12.43 C ATOM 0 H PHE B 52 8.211 -7.549 0.023 1.00 3.34 H new ATOM 0 HA PHE B 52 8.722 -9.669 -1.687 1.00 62.35 H new ATOM 0 HB2 PHE B 52 9.074 -7.365 -2.333 1.00 41.30 H new ATOM 0 HB3 PHE B 52 10.261 -7.125 -1.066 1.00 41.30 H new ATOM 0 HD1 PHE B 52 9.749 -9.617 -3.826 1.00 10.45 H new ATOM 0 HD2 PHE B 52 12.427 -6.969 -1.838 1.00 34.12 H new ATOM 0 HE1 PHE B 52 11.539 -10.262 -5.380 1.00 24.54 H new ATOM 0 HE2 PHE B 52 14.222 -7.615 -3.388 1.00 25.31 H new ATOM 0 HZ PHE B 52 13.777 -9.261 -5.166 1.00 12.43 H new ATOM 1813 N LYS B 53 10.773 -9.525 0.849 1.00 15.33 N ATOM 1814 CA LYS B 53 11.833 -10.236 1.554 1.00 50.42 C ATOM 1815 C LYS B 53 11.521 -11.726 1.645 1.00 22.31 C ATOM 1816 O LYS B 53 12.281 -12.561 1.153 1.00 13.12 O ATOM 1817 CB LYS B 53 12.018 -9.656 2.958 1.00 60.23 C ATOM 1818 CG LYS B 53 13.468 -9.387 3.320 1.00 4.21 C ATOM 1819 CD LYS B 53 14.072 -8.310 2.434 1.00 22.43 C ATOM 1820 CE LYS B 53 15.486 -7.958 2.872 1.00 51.44 C ATOM 1821 NZ LYS B 53 16.425 -9.099 2.690 1.00 41.32 N ATOM 0 H LYS B 53 10.354 -8.761 1.379 1.00 15.33 H new ATOM 0 HA LYS B 53 12.758 -10.110 0.991 1.00 50.42 H new ATOM 0 HB2 LYS B 53 11.455 -8.726 3.035 1.00 60.23 H new ATOM 0 HB3 LYS B 53 11.593 -10.347 3.686 1.00 60.23 H new ATOM 0 HG2 LYS B 53 13.533 -9.080 4.364 1.00 4.21 H new ATOM 0 HG3 LYS B 53 14.045 -10.306 3.222 1.00 4.21 H new ATOM 0 HD2 LYS B 53 14.085 -8.653 1.399 1.00 22.43 H new ATOM 0 HD3 LYS B 53 13.447 -7.418 2.466 1.00 22.43 H new ATOM 0 HE2 LYS B 53 15.841 -7.101 2.299 1.00 51.44 H new ATOM 0 HE3 LYS B 53 15.477 -7.659 3.920 1.00 51.44 H new ATOM 0 HZ1 LYS B 53 17.396 -8.784 2.887 1.00 41.32 H new ATOM 0 HZ2 LYS B 53 16.170 -9.866 3.345 1.00 41.32 H new ATOM 0 HZ3 LYS B 53 16.365 -9.445 1.711 1.00 41.32 H new ATOM 1835 N LEU B 54 10.398 -12.054 2.274 1.00 62.04 N ATOM 1836 CA LEU B 54 9.984 -13.444 2.427 1.00 61.42 C ATOM 1837 C LEU B 54 9.431 -13.995 1.117 1.00 43.44 C ATOM 1838 O LEU B 54 9.438 -15.204 0.888 1.00 53.14 O ATOM 1839 CB LEU B 54 8.932 -13.565 3.530 1.00 61.22 C ATOM 1840 CG LEU B 54 9.466 -13.731 4.954 1.00 3.34 C ATOM 1841 CD1 LEU B 54 10.309 -14.992 5.063 1.00 11.22 C ATOM 1842 CD2 LEU B 54 10.274 -12.509 5.366 1.00 1.14 C ATOM 0 H LEU B 54 9.757 -11.376 2.687 1.00 62.04 H new ATOM 0 HA LEU B 54 10.860 -14.030 2.704 1.00 61.42 H new ATOM 0 HB2 LEU B 54 8.301 -12.676 3.502 1.00 61.22 H new ATOM 0 HB3 LEU B 54 8.292 -14.418 3.302 1.00 61.22 H new ATOM 0 HG LEU B 54 8.618 -13.826 5.632 1.00 3.34 H new ATOM 0 HD11 LEU B 54 10.681 -15.094 6.083 1.00 11.22 H new ATOM 0 HD12 LEU B 54 9.700 -15.860 4.810 1.00 11.22 H new ATOM 0 HD13 LEU B 54 11.152 -14.927 4.375 1.00 11.22 H new ATOM 0 HD21 LEU B 54 10.646 -12.644 6.382 1.00 1.14 H new ATOM 0 HD22 LEU B 54 11.116 -12.383 4.685 1.00 1.14 H new ATOM 0 HD23 LEU B 54 9.640 -11.623 5.327 1.00 1.14 H new ATOM 1854 N ALA B 55 8.952 -13.100 0.260 1.00 41.42 N ATOM 1855 CA ALA B 55 8.399 -13.495 -1.029 1.00 62.22 C ATOM 1856 C ALA B 55 9.417 -14.283 -1.845 1.00 3.23 C ATOM 1857 O ALA B 55 9.055 -15.173 -2.614 1.00 0.13 O ATOM 1858 CB ALA B 55 7.932 -12.271 -1.802 1.00 15.53 C ATOM 0 H ALA B 55 8.936 -12.095 0.435 1.00 41.42 H new ATOM 0 HA ALA B 55 7.541 -14.142 -0.845 1.00 62.22 H new ATOM 0 HB1 ALA B 55 7.521 -12.582 -2.763 1.00 15.53 H new ATOM 0 HB2 ALA B 55 7.163 -11.751 -1.230 1.00 15.53 H new ATOM 0 HB3 ALA B 55 8.776 -11.602 -1.968 1.00 15.53 H new ATOM 1864 N GLU B 56 10.692 -13.948 -1.674 1.00 35.04 N ATOM 1865 CA GLU B 56 11.763 -14.623 -2.398 1.00 62.03 C ATOM 1866 C GLU B 56 11.775 -16.117 -2.083 1.00 42.02 C ATOM 1867 O GLU B 56 12.198 -16.930 -2.902 1.00 12.03 O ATOM 1868 CB GLU B 56 13.118 -14.006 -2.042 1.00 3.11 C ATOM 1869 CG GLU B 56 13.095 -12.488 -1.970 1.00 65.03 C ATOM 1870 CD GLU B 56 14.244 -11.850 -2.727 1.00 64.33 C ATOM 1871 OE1 GLU B 56 14.412 -12.165 -3.923 1.00 5.20 O ATOM 1872 OE2 GLU B 56 14.974 -11.038 -2.122 1.00 44.23 O ATOM 0 H GLU B 56 11.008 -13.214 -1.041 1.00 35.04 H new ATOM 0 HA GLU B 56 11.582 -14.495 -3.465 1.00 62.03 H new ATOM 0 HB2 GLU B 56 13.447 -14.402 -1.081 1.00 3.11 H new ATOM 0 HB3 GLU B 56 13.855 -14.315 -2.783 1.00 3.11 H new ATOM 0 HG2 GLU B 56 12.151 -12.123 -2.375 1.00 65.03 H new ATOM 0 HG3 GLU B 56 13.135 -12.177 -0.926 1.00 65.03 H new ATOM 1880 N GLU B 57 11.306 -16.468 -0.889 1.00 52.42 N ATOM 1881 CA GLU B 57 11.264 -17.862 -0.466 1.00 10.00 C ATOM 1882 C GLU B 57 10.155 -18.618 -1.193 1.00 71.32 C ATOM 1883 O GLU B 57 10.370 -19.720 -1.698 1.00 43.41 O ATOM 1884 CB GLU B 57 11.050 -17.953 1.047 1.00 0.53 C ATOM 1885 CG GLU B 57 11.241 -19.353 1.605 1.00 15.02 C ATOM 1886 CD GLU B 57 11.094 -19.403 3.114 1.00 32.33 C ATOM 1887 OE1 GLU B 57 11.527 -20.408 3.718 1.00 14.14 O ATOM 1888 OE2 GLU B 57 10.546 -18.441 3.690 1.00 12.21 O ATOM 0 H GLU B 57 10.950 -15.806 -0.199 1.00 52.42 H new ATOM 0 HA GLU B 57 12.220 -18.321 -0.719 1.00 10.00 H new ATOM 0 HB2 GLU B 57 11.743 -17.275 1.545 1.00 0.53 H new ATOM 0 HB3 GLU B 57 10.043 -17.611 1.284 1.00 0.53 H new ATOM 0 HG2 GLU B 57 10.513 -20.024 1.150 1.00 15.02 H new ATOM 0 HG3 GLU B 57 12.229 -19.719 1.327 1.00 15.02 H new ATOM 1896 N ARG B 58 8.970 -18.018 -1.239 1.00 5.23 N ATOM 1897 CA ARG B 58 7.828 -18.635 -1.903 1.00 41.33 C ATOM 1898 C ARG B 58 7.910 -18.447 -3.415 1.00 71.31 C ATOM 1899 O ARG B 58 7.179 -19.087 -4.171 1.00 44.33 O ATOM 1900 CB ARG B 58 6.522 -18.038 -1.375 1.00 40.33 C ATOM 1901 CG ARG B 58 6.460 -17.953 0.141 1.00 61.13 C ATOM 1902 CD ARG B 58 6.427 -16.510 0.618 1.00 74.04 C ATOM 1903 NE ARG B 58 5.333 -15.757 0.010 1.00 42.22 N ATOM 1904 CZ ARG B 58 5.119 -14.464 0.229 1.00 34.50 C ATOM 1905 NH1 ARG B 58 5.921 -13.784 1.038 1.00 64.53 N ATOM 1906 NH2 ARG B 58 4.102 -13.849 -0.361 1.00 33.44 N ATOM 0 H ARG B 58 8.776 -17.106 -0.825 1.00 5.23 H new ATOM 0 HA ARG B 58 7.847 -19.703 -1.686 1.00 41.33 H new ATOM 0 HB2 ARG B 58 6.394 -17.039 -1.792 1.00 40.33 H new ATOM 0 HB3 ARG B 58 5.687 -18.641 -1.731 1.00 40.33 H new ATOM 0 HG2 ARG B 58 5.574 -18.476 0.500 1.00 61.13 H new ATOM 0 HG3 ARG B 58 7.324 -18.459 0.570 1.00 61.13 H new ATOM 0 HD2 ARG B 58 6.322 -16.489 1.703 1.00 74.04 H new ATOM 0 HD3 ARG B 58 7.375 -16.028 0.380 1.00 74.04 H new ATOM 0 HE ARG B 58 4.698 -16.251 -0.617 1.00 42.22 H new ATOM 0 HH11 ARG B 58 6.704 -14.254 1.493 1.00 64.53 H new ATOM 0 HH12 ARG B 58 5.755 -12.792 1.205 1.00 64.53 H new ATOM 0 HH21 ARG B 58 3.483 -14.369 -0.983 1.00 33.44 H new ATOM 0 HH22 ARG B 58 3.939 -12.856 -0.192 1.00 33.44 H new ATOM 1920 N LEU B 59 8.805 -17.567 -3.848 1.00 45.30 N ATOM 1921 CA LEU B 59 8.983 -17.294 -5.271 1.00 35.42 C ATOM 1922 C LEU B 59 10.279 -17.912 -5.785 1.00 13.23 C ATOM 1923 O LEU B 59 10.548 -17.910 -6.987 1.00 61.25 O ATOM 1924 CB LEU B 59 8.988 -15.786 -5.524 1.00 24.04 C ATOM 1925 CG LEU B 59 7.707 -15.039 -5.152 1.00 10.20 C ATOM 1926 CD1 LEU B 59 7.968 -13.542 -5.068 1.00 62.13 C ATOM 1927 CD2 LEU B 59 6.605 -15.334 -6.159 1.00 55.44 C ATOM 0 H LEU B 59 9.419 -17.030 -3.235 1.00 45.30 H new ATOM 0 HA LEU B 59 8.149 -17.743 -5.810 1.00 35.42 H new ATOM 0 HB2 LEU B 59 9.816 -15.347 -4.967 1.00 24.04 H new ATOM 0 HB3 LEU B 59 9.190 -15.616 -6.582 1.00 24.04 H new ATOM 0 HG LEU B 59 7.378 -15.386 -4.172 1.00 10.20 H new ATOM 0 HD11 LEU B 59 7.045 -13.026 -4.802 1.00 62.13 H new ATOM 0 HD12 LEU B 59 8.725 -13.347 -4.308 1.00 62.13 H new ATOM 0 HD13 LEU B 59 8.321 -13.180 -6.033 1.00 62.13 H new ATOM 0 HD21 LEU B 59 5.701 -14.794 -5.878 1.00 55.44 H new ATOM 0 HD22 LEU B 59 6.924 -15.016 -7.151 1.00 55.44 H new ATOM 0 HD23 LEU B 59 6.399 -16.404 -6.170 1.00 55.44 H new ATOM 1939 N LYS B 60 11.081 -18.442 -4.867 1.00 32.02 N ATOM 1940 CA LYS B 60 12.348 -19.068 -5.227 1.00 54.30 C ATOM 1941 C LYS B 60 12.656 -20.244 -4.305 1.00 45.21 C ATOM 1942 O LYS B 60 11.781 -20.726 -3.584 1.00 52.52 O ATOM 1943 CB LYS B 60 13.484 -18.044 -5.158 1.00 50.54 C ATOM 1944 CG LYS B 60 13.080 -16.656 -5.626 1.00 41.15 C ATOM 1945 CD LYS B 60 14.138 -15.621 -5.280 1.00 11.31 C ATOM 1946 CE LYS B 60 14.765 -15.026 -6.532 1.00 34.54 C ATOM 1947 NZ LYS B 60 16.244 -14.908 -6.407 1.00 55.32 N ATOM 0 H LYS B 60 10.876 -18.450 -3.868 1.00 32.02 H new ATOM 0 HA LYS B 60 12.262 -19.441 -6.248 1.00 54.30 H new ATOM 0 HB2 LYS B 60 13.844 -17.982 -4.131 1.00 50.54 H new ATOM 0 HB3 LYS B 60 14.317 -18.396 -5.767 1.00 50.54 H new ATOM 0 HG2 LYS B 60 12.919 -16.667 -6.704 1.00 41.15 H new ATOM 0 HG3 LYS B 60 12.132 -16.377 -5.165 1.00 41.15 H new ATOM 0 HD2 LYS B 60 13.690 -14.827 -4.683 1.00 11.31 H new ATOM 0 HD3 LYS B 60 14.913 -16.082 -4.667 1.00 11.31 H new ATOM 0 HE2 LYS B 60 14.522 -15.650 -7.392 1.00 34.54 H new ATOM 0 HE3 LYS B 60 14.336 -14.042 -6.721 1.00 34.54 H new ATOM 0 HZ1 LYS B 60 16.635 -14.499 -7.280 1.00 55.32 H new ATOM 0 HZ2 LYS B 60 16.476 -14.292 -5.602 1.00 55.32 H new ATOM 0 HZ3 LYS B 60 16.656 -15.850 -6.252 1.00 55.32 H new ATOM 1961 N LYS B 61 13.902 -20.703 -4.335 1.00 72.04 N ATOM 1962 CA LYS B 61 14.325 -21.822 -3.501 1.00 2.43 C ATOM 1963 C LYS B 61 14.911 -21.326 -2.182 1.00 5.15 C ATOM 1964 O LYS B 61 14.471 -21.731 -1.105 1.00 32.33 O ATOM 1965 CB LYS B 61 15.358 -22.674 -4.242 1.00 62.32 C ATOM 1966 CG LYS B 61 15.761 -23.931 -3.490 1.00 52.21 C ATOM 1967 CD LYS B 61 15.768 -25.147 -4.401 1.00 1.24 C ATOM 1968 CE LYS B 61 16.546 -26.300 -3.785 1.00 65.12 C ATOM 1969 NZ LYS B 61 16.971 -27.294 -4.810 1.00 44.52 N ATOM 0 H LYS B 61 14.637 -20.318 -4.928 1.00 72.04 H new ATOM 0 HA LYS B 61 13.449 -22.432 -3.282 1.00 2.43 H new ATOM 0 HB2 LYS B 61 14.954 -22.956 -5.214 1.00 62.32 H new ATOM 0 HB3 LYS B 61 16.247 -22.072 -4.429 1.00 62.32 H new ATOM 0 HG2 LYS B 61 16.751 -23.795 -3.056 1.00 52.21 H new ATOM 0 HG3 LYS B 61 15.071 -24.099 -2.663 1.00 52.21 H new ATOM 0 HD2 LYS B 61 14.743 -25.462 -4.597 1.00 1.24 H new ATOM 0 HD3 LYS B 61 16.209 -24.881 -5.362 1.00 1.24 H new ATOM 0 HE2 LYS B 61 17.425 -25.911 -3.270 1.00 65.12 H new ATOM 0 HE3 LYS B 61 15.929 -26.794 -3.034 1.00 65.12 H new ATOM 0 HZ1 LYS B 61 17.498 -28.063 -4.350 1.00 44.52 H new ATOM 0 HZ2 LYS B 61 16.132 -27.684 -5.284 1.00 44.52 H new ATOM 0 HZ3 LYS B 61 17.581 -26.829 -5.513 1.00 44.52 H new ATOM 1983 N LEU B 62 15.904 -20.449 -2.274 1.00 42.43 N ATOM 1984 CA LEU B 62 16.548 -19.896 -1.088 1.00 3.40 C ATOM 1985 C LEU B 62 16.968 -21.006 -0.130 1.00 13.22 C ATOM 1986 O LEU B 62 17.464 -22.037 -0.584 1.00 61.33 O ATOM 1987 CB LEU B 62 15.606 -18.923 -0.377 1.00 73.03 C ATOM 1988 CG LEU B 62 15.687 -17.463 -0.823 1.00 61.14 C ATOM 1989 CD1 LEU B 62 14.667 -16.618 -0.075 1.00 63.51 C ATOM 1990 CD2 LEU B 62 17.091 -16.918 -0.611 1.00 74.13 C ATOM 0 H LEU B 62 16.281 -20.105 -3.157 1.00 42.43 H new ATOM 0 HA LEU B 62 17.441 -19.358 -1.407 1.00 3.40 H new ATOM 0 HB2 LEU B 62 14.583 -19.269 -0.520 1.00 73.03 H new ATOM 0 HB3 LEU B 62 15.811 -18.967 0.693 1.00 73.03 H new ATOM 0 HG LEU B 62 15.457 -17.415 -1.887 1.00 61.14 H new ATOM 0 HD11 LEU B 62 14.740 -15.582 -0.406 1.00 63.51 H new ATOM 0 HD12 LEU B 62 13.664 -16.994 -0.278 1.00 63.51 H new ATOM 0 HD13 LEU B 62 14.865 -16.672 0.996 1.00 63.51 H new ATOM 0 HD21 LEU B 62 17.130 -15.878 -0.934 1.00 74.13 H new ATOM 0 HD22 LEU B 62 17.349 -16.980 0.446 1.00 74.13 H new ATOM 0 HD23 LEU B 62 17.801 -17.505 -1.193 1.00 74.13 H new