USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 GLN : amide:sc= -0.0403 X(o=-2.5,f=-2.1) USER MOD Set 1.2: A 69 GLN : amide:sc= -2.45 X(o=-2.5,f=-2.1) USER MOD Set 2.1: A 27 HIS : no HD1:sc= -5.93! C(o=-12!,f=-16!) USER MOD Set 2.2: A 106 MET CE :methyl -161:sc= -6.28! (180deg=-8.26!) USER MOD Single : A 0 SER N :NH3+ -131:sc= -8.05! (180deg=-10.3!) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -149:sc= -0.269 (180deg=-1.2) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -159:sc= -0.195 (180deg=-0.953) USER MOD Single : A 13 THR OG1 : rot 74:sc= 1.21 USER MOD Single : A 19 CYS SG : rot 6:sc= 0.269 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= -2.39! (180deg=-2.79!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot -60:sc= -2.3 USER MOD Single : A 37 SER OG : rot 37:sc= 0.182 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.103) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -176:sc= 0.612 (180deg=0.588) USER MOD Single : A 56 SER OG : rot -133:sc= 0.708 USER MOD Single : A 65 LYS NZ :NH3+ -165:sc= -0.2 (180deg=-0.58) USER MOD Single : A 70 ASN :FLIP amide:sc= -13.7! C(o=-15!,f=-14!) USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0301) USER MOD Single : A 79 SER OG : rot 180:sc= -0.291 USER MOD Single : A 83 THR OG1 : rot 96:sc= -2.83 USER MOD Single : A 84 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.109) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 1.325 0.000 0.000 1.00 11.00 N ATOM 2 CA SER A 0 2.073 0.000 -1.246 1.00 3.05 C ATOM 3 C SER A 0 2.589 -1.409 -1.546 1.00 41.20 C ATOM 4 O SER A 0 2.504 -2.298 -0.701 1.00 22.32 O ATOM 5 CB SER A 0 3.238 0.991 -1.188 1.00 72.42 C ATOM 6 OG SER A 0 2.789 2.333 -1.025 1.00 40.33 O ATOM 0 H1 SER A 0 0.414 0.482 -0.142 1.00 11.00 H new ATOM 0 H2 SER A 0 1.155 -0.980 0.303 1.00 11.00 H new ATOM 0 H3 SER A 0 1.870 0.498 0.732 1.00 11.00 H new ATOM 0 HA SER A 0 1.404 0.313 -2.047 1.00 3.05 H new ATOM 0 HB2 SER A 0 3.898 0.727 -0.362 1.00 72.42 H new ATOM 0 HB3 SER A 0 3.826 0.914 -2.103 1.00 72.42 H new ATOM 0 HG SER A 0 3.562 2.935 -0.991 1.00 40.33 H new ATOM 12 N MET A 1 3.112 -1.568 -2.753 1.00 5.33 N ATOM 13 CA MET A 1 3.642 -2.853 -3.175 1.00 60.14 C ATOM 14 C MET A 1 4.913 -3.204 -2.400 1.00 64.20 C ATOM 15 O MET A 1 6.020 -3.071 -2.921 1.00 55.52 O ATOM 16 CB MET A 1 3.953 -2.810 -4.673 1.00 13.01 C ATOM 17 CG MET A 1 2.669 -2.886 -5.502 1.00 33.14 C ATOM 18 SD MET A 1 2.966 -2.262 -7.147 1.00 64.43 S ATOM 19 CE MET A 1 3.226 -0.535 -6.782 1.00 0.32 C ATOM 0 H MET A 1 3.180 -0.828 -3.452 1.00 5.33 H new ATOM 0 HA MET A 1 2.893 -3.618 -2.972 1.00 60.14 H new ATOM 0 HB2 MET A 1 4.490 -1.891 -4.910 1.00 13.01 H new ATOM 0 HB3 MET A 1 4.609 -3.640 -4.936 1.00 13.01 H new ATOM 0 HG2 MET A 1 2.320 -3.917 -5.553 1.00 33.14 H new ATOM 0 HG3 MET A 1 1.881 -2.306 -5.021 1.00 33.14 H new ATOM 0 HE1 MET A 1 2.887 0.070 -7.623 1.00 0.32 H new ATOM 0 HE2 MET A 1 2.663 -0.263 -5.889 1.00 0.32 H new ATOM 0 HE3 MET A 1 4.287 -0.355 -6.610 1.00 0.32 H new ATOM 29 N ALA A 2 4.713 -3.647 -1.167 1.00 42.53 N ATOM 30 CA ALA A 2 5.830 -4.018 -0.315 1.00 12.22 C ATOM 31 C ALA A 2 6.162 -5.496 -0.531 1.00 53.43 C ATOM 32 O ALA A 2 7.294 -5.838 -0.868 1.00 61.40 O ATOM 33 CB ALA A 2 5.486 -3.705 1.143 1.00 74.02 C ATOM 0 H ALA A 2 3.794 -3.757 -0.738 1.00 42.53 H new ATOM 0 HA ALA A 2 6.717 -3.440 -0.572 1.00 12.22 H new ATOM 0 HB1 ALA A 2 6.324 -3.983 1.782 1.00 74.02 H new ATOM 0 HB2 ALA A 2 5.287 -2.639 1.249 1.00 74.02 H new ATOM 0 HB3 ALA A 2 4.602 -4.270 1.438 1.00 74.02 H new ATOM 39 N PHE A 3 5.154 -6.331 -0.329 1.00 73.31 N ATOM 40 CA PHE A 3 5.324 -7.764 -0.498 1.00 63.40 C ATOM 41 C PHE A 3 5.935 -8.087 -1.864 1.00 15.14 C ATOM 42 O PHE A 3 6.506 -9.159 -2.055 1.00 32.35 O ATOM 43 CB PHE A 3 3.932 -8.394 -0.413 1.00 43.43 C ATOM 44 CG PHE A 3 3.531 -8.829 0.998 1.00 51.35 C ATOM 45 CD1 PHE A 3 2.637 -8.090 1.708 1.00 32.43 C ATOM 46 CD2 PHE A 3 4.068 -9.954 1.541 1.00 42.32 C ATOM 47 CE1 PHE A 3 2.264 -8.494 3.018 1.00 63.23 C ATOM 48 CE2 PHE A 3 3.696 -10.358 2.850 1.00 13.43 C ATOM 49 CZ PHE A 3 2.802 -9.619 3.561 1.00 34.21 C ATOM 0 H PHE A 3 4.216 -6.043 -0.050 1.00 73.31 H new ATOM 0 HA PHE A 3 5.993 -8.152 0.270 1.00 63.40 H new ATOM 0 HB2 PHE A 3 3.198 -7.679 -0.784 1.00 43.43 H new ATOM 0 HB3 PHE A 3 3.896 -9.260 -1.073 1.00 43.43 H new ATOM 0 HD1 PHE A 3 2.211 -7.196 1.276 1.00 32.43 H new ATOM 0 HD2 PHE A 3 4.778 -10.540 0.976 1.00 42.32 H new ATOM 0 HE1 PHE A 3 1.554 -7.908 3.582 1.00 63.23 H new ATOM 0 HE2 PHE A 3 4.122 -11.252 3.281 1.00 13.43 H new ATOM 0 HZ PHE A 3 2.519 -9.926 4.557 1.00 34.21 H new ATOM 59 N ALA A 4 5.793 -7.139 -2.778 1.00 53.21 N ATOM 60 CA ALA A 4 6.323 -7.308 -4.120 1.00 72.54 C ATOM 61 C ALA A 4 7.785 -7.752 -4.034 1.00 53.54 C ATOM 62 O ALA A 4 8.309 -8.358 -4.967 1.00 61.21 O ATOM 63 CB ALA A 4 6.154 -6.006 -4.905 1.00 15.23 C ATOM 0 H ALA A 4 5.318 -6.251 -2.616 1.00 53.21 H new ATOM 0 HA ALA A 4 5.774 -8.083 -4.654 1.00 72.54 H new ATOM 0 HB1 ALA A 4 6.552 -6.134 -5.912 1.00 15.23 H new ATOM 0 HB2 ALA A 4 5.096 -5.751 -4.963 1.00 15.23 H new ATOM 0 HB3 ALA A 4 6.694 -5.204 -4.401 1.00 15.23 H new ATOM 69 N SER A 5 8.401 -7.431 -2.906 1.00 65.14 N ATOM 70 CA SER A 5 9.793 -7.788 -2.686 1.00 74.55 C ATOM 71 C SER A 5 9.890 -9.234 -2.194 1.00 40.13 C ATOM 72 O SER A 5 10.647 -10.031 -2.745 1.00 64.41 O ATOM 73 CB SER A 5 10.453 -6.841 -1.683 1.00 52.43 C ATOM 74 OG SER A 5 11.022 -5.701 -2.321 1.00 45.32 O ATOM 0 H SER A 5 7.962 -6.928 -2.135 1.00 65.14 H new ATOM 0 HA SER A 5 10.324 -7.696 -3.634 1.00 74.55 H new ATOM 0 HB2 SER A 5 9.714 -6.516 -0.951 1.00 52.43 H new ATOM 0 HB3 SER A 5 11.229 -7.376 -1.136 1.00 52.43 H new ATOM 0 HG SER A 5 11.432 -5.120 -1.647 1.00 45.32 H new ATOM 80 N VAL A 6 9.113 -9.528 -1.162 1.00 54.54 N ATOM 81 CA VAL A 6 9.102 -10.863 -0.590 1.00 14.13 C ATOM 82 C VAL A 6 8.574 -11.854 -1.629 1.00 33.44 C ATOM 83 O VAL A 6 9.291 -12.762 -2.046 1.00 33.52 O ATOM 84 CB VAL A 6 8.292 -10.869 0.708 1.00 34.13 C ATOM 85 CG1 VAL A 6 8.591 -12.121 1.535 1.00 34.12 C ATOM 86 CG2 VAL A 6 8.550 -9.600 1.522 1.00 4.50 C ATOM 0 H VAL A 6 8.486 -8.864 -0.707 1.00 54.54 H new ATOM 0 HA VAL A 6 10.113 -11.175 -0.328 1.00 14.13 H new ATOM 0 HB VAL A 6 7.235 -10.887 0.443 1.00 34.13 H new ATOM 0 HG11 VAL A 6 8.002 -12.100 2.452 1.00 34.12 H new ATOM 0 HG12 VAL A 6 8.332 -13.009 0.958 1.00 34.12 H new ATOM 0 HG13 VAL A 6 9.652 -12.147 1.785 1.00 34.12 H new ATOM 0 HG21 VAL A 6 7.962 -9.630 2.439 1.00 4.50 H new ATOM 0 HG22 VAL A 6 9.609 -9.537 1.772 1.00 4.50 H new ATOM 0 HG23 VAL A 6 8.263 -8.727 0.936 1.00 4.50 H new ATOM 96 N LEU A 7 7.324 -11.647 -2.016 1.00 51.43 N ATOM 97 CA LEU A 7 6.692 -12.511 -2.998 1.00 55.14 C ATOM 98 C LEU A 7 6.623 -11.783 -4.343 1.00 30.34 C ATOM 99 O LEU A 7 7.124 -10.668 -4.475 1.00 11.31 O ATOM 100 CB LEU A 7 5.332 -12.994 -2.490 1.00 55.25 C ATOM 101 CG LEU A 7 5.242 -13.291 -0.992 1.00 61.13 C ATOM 102 CD1 LEU A 7 3.832 -13.022 -0.463 1.00 41.11 C ATOM 103 CD2 LEU A 7 5.706 -14.717 -0.687 1.00 42.25 C ATOM 0 H LEU A 7 6.732 -10.893 -1.667 1.00 51.43 H new ATOM 0 HA LEU A 7 7.287 -13.411 -3.152 1.00 55.14 H new ATOM 0 HB2 LEU A 7 4.586 -12.239 -2.736 1.00 55.25 H new ATOM 0 HB3 LEU A 7 5.063 -13.898 -3.036 1.00 55.25 H new ATOM 0 HG LEU A 7 5.917 -12.614 -0.469 1.00 61.13 H new ATOM 0 HD11 LEU A 7 3.796 -13.241 0.604 1.00 41.11 H new ATOM 0 HD12 LEU A 7 3.575 -11.976 -0.627 1.00 41.11 H new ATOM 0 HD13 LEU A 7 3.119 -13.657 -0.988 1.00 41.11 H new ATOM 0 HD21 LEU A 7 5.632 -14.902 0.385 1.00 42.25 H new ATOM 0 HD22 LEU A 7 5.076 -15.427 -1.222 1.00 42.25 H new ATOM 0 HD23 LEU A 7 6.741 -14.839 -1.006 1.00 42.25 H new ATOM 115 N LYS A 8 5.999 -12.445 -5.306 1.00 54.40 N ATOM 116 CA LYS A 8 5.858 -11.875 -6.635 1.00 40.23 C ATOM 117 C LYS A 8 4.644 -10.944 -6.661 1.00 30.03 C ATOM 118 O LYS A 8 3.526 -11.368 -6.373 1.00 31.35 O ATOM 119 CB LYS A 8 5.806 -12.982 -7.690 1.00 44.11 C ATOM 120 CG LYS A 8 6.154 -12.435 -9.076 1.00 72.13 C ATOM 121 CD LYS A 8 6.746 -13.531 -9.965 1.00 42.41 C ATOM 122 CE LYS A 8 8.040 -14.084 -9.364 1.00 50.15 C ATOM 123 NZ LYS A 8 8.835 -12.995 -8.753 1.00 34.30 N ATOM 0 H LYS A 8 5.585 -13.370 -5.193 1.00 54.40 H new ATOM 0 HA LYS A 8 6.730 -11.270 -6.883 1.00 40.23 H new ATOM 0 HB2 LYS A 8 6.503 -13.777 -7.423 1.00 44.11 H new ATOM 0 HB3 LYS A 8 4.810 -13.425 -7.709 1.00 44.11 H new ATOM 0 HG2 LYS A 8 5.259 -12.026 -9.545 1.00 72.13 H new ATOM 0 HG3 LYS A 8 6.866 -11.616 -8.979 1.00 72.13 H new ATOM 0 HD2 LYS A 8 6.023 -14.337 -10.085 1.00 42.41 H new ATOM 0 HD3 LYS A 8 6.944 -13.130 -10.959 1.00 42.41 H new ATOM 0 HE2 LYS A 8 7.806 -14.837 -8.612 1.00 50.15 H new ATOM 0 HE3 LYS A 8 8.625 -14.579 -10.139 1.00 50.15 H new ATOM 0 HZ1 LYS A 8 9.828 -13.293 -8.673 1.00 34.30 H new ATOM 0 HZ2 LYS A 8 8.775 -12.145 -9.349 1.00 34.30 H new ATOM 0 HZ3 LYS A 8 8.461 -12.781 -7.806 1.00 34.30 H new ATOM 136 N ASP A 9 4.905 -9.692 -7.008 1.00 61.51 N ATOM 137 CA ASP A 9 3.848 -8.698 -7.075 1.00 33.11 C ATOM 138 C ASP A 9 2.719 -9.219 -7.968 1.00 5.15 C ATOM 139 O ASP A 9 1.552 -8.899 -7.749 1.00 41.41 O ATOM 140 CB ASP A 9 4.360 -7.388 -7.677 1.00 25.43 C ATOM 141 CG ASP A 9 3.424 -6.190 -7.510 1.00 41.12 C ATOM 142 OD1 ASP A 9 3.807 -5.039 -7.769 1.00 24.34 O ATOM 143 OD2 ASP A 9 2.239 -6.478 -7.090 1.00 70.21 O ATOM 0 H ASP A 9 5.834 -9.344 -7.246 1.00 61.51 H new ATOM 0 HA ASP A 9 3.494 -8.514 -6.061 1.00 33.11 H new ATOM 0 HB2 ASP A 9 5.320 -7.146 -7.220 1.00 25.43 H new ATOM 0 HB3 ASP A 9 4.543 -7.541 -8.741 1.00 25.43 H new ATOM 149 N ALA A 10 3.108 -10.013 -8.954 1.00 74.14 N ATOM 150 CA ALA A 10 2.143 -10.581 -9.881 1.00 64.31 C ATOM 151 C ALA A 10 1.368 -11.699 -9.181 1.00 74.14 C ATOM 152 O ALA A 10 0.211 -11.957 -9.511 1.00 61.42 O ATOM 153 CB ALA A 10 2.869 -11.072 -11.136 1.00 13.03 C ATOM 0 H ALA A 10 4.077 -10.277 -9.132 1.00 74.14 H new ATOM 0 HA ALA A 10 1.422 -9.827 -10.195 1.00 64.31 H new ATOM 0 HB1 ALA A 10 2.146 -11.498 -11.831 1.00 13.03 H new ATOM 0 HB2 ALA A 10 3.380 -10.235 -11.612 1.00 13.03 H new ATOM 0 HB3 ALA A 10 3.599 -11.833 -10.860 1.00 13.03 H new ATOM 159 N GLU A 11 2.035 -12.332 -8.228 1.00 64.33 N ATOM 160 CA GLU A 11 1.423 -13.416 -7.479 1.00 61.42 C ATOM 161 C GLU A 11 0.367 -12.867 -6.518 1.00 71.20 C ATOM 162 O GLU A 11 -0.801 -13.246 -6.592 1.00 12.53 O ATOM 163 CB GLU A 11 2.479 -14.228 -6.727 1.00 65.31 C ATOM 164 CG GLU A 11 3.106 -15.288 -7.636 1.00 34.45 C ATOM 165 CD GLU A 11 4.448 -15.765 -7.078 1.00 4.52 C ATOM 166 OE1 GLU A 11 5.401 -15.968 -7.845 1.00 3.32 O ATOM 167 OE2 GLU A 11 4.482 -15.922 -5.798 1.00 2.01 O ATOM 0 H GLU A 11 2.994 -12.115 -7.957 1.00 64.33 H new ATOM 0 HA GLU A 11 0.931 -14.086 -8.184 1.00 61.42 H new ATOM 0 HB2 GLU A 11 3.255 -13.562 -6.350 1.00 65.31 H new ATOM 0 HB3 GLU A 11 2.024 -14.709 -5.861 1.00 65.31 H new ATOM 0 HG2 GLU A 11 2.427 -16.135 -7.734 1.00 34.45 H new ATOM 0 HG3 GLU A 11 3.249 -14.877 -8.635 1.00 34.45 H new ATOM 175 N VAL A 12 0.816 -11.984 -5.639 1.00 15.35 N ATOM 176 CA VAL A 12 -0.076 -11.379 -4.664 1.00 14.31 C ATOM 177 C VAL A 12 -1.217 -10.669 -5.395 1.00 54.52 C ATOM 178 O VAL A 12 -2.329 -10.576 -4.877 1.00 11.12 O ATOM 179 CB VAL A 12 0.712 -10.448 -3.740 1.00 31.43 C ATOM 180 CG1 VAL A 12 1.853 -11.199 -3.050 1.00 14.03 C ATOM 181 CG2 VAL A 12 1.239 -9.233 -4.505 1.00 50.01 C ATOM 0 H VAL A 12 1.786 -11.673 -5.581 1.00 15.35 H new ATOM 0 HA VAL A 12 -0.522 -12.144 -4.029 1.00 14.31 H new ATOM 0 HB VAL A 12 0.032 -10.088 -2.968 1.00 31.43 H new ATOM 0 HG11 VAL A 12 2.398 -10.515 -2.399 1.00 14.03 H new ATOM 0 HG12 VAL A 12 1.444 -12.017 -2.456 1.00 14.03 H new ATOM 0 HG13 VAL A 12 2.531 -11.601 -3.802 1.00 14.03 H new ATOM 0 HG21 VAL A 12 1.795 -8.588 -3.825 1.00 50.01 H new ATOM 0 HG22 VAL A 12 1.896 -9.566 -5.308 1.00 50.01 H new ATOM 0 HG23 VAL A 12 0.402 -8.678 -4.928 1.00 50.01 H new ATOM 191 N THR A 13 -0.903 -10.185 -6.588 1.00 70.31 N ATOM 192 CA THR A 13 -1.888 -9.486 -7.396 1.00 31.42 C ATOM 193 C THR A 13 -3.169 -10.315 -7.509 1.00 53.24 C ATOM 194 O THR A 13 -4.254 -9.835 -7.184 1.00 51.21 O ATOM 195 CB THR A 13 -1.249 -9.167 -8.749 1.00 13.43 C ATOM 196 OG1 THR A 13 -0.650 -7.888 -8.556 1.00 71.12 O ATOM 197 CG2 THR A 13 -2.289 -8.929 -9.846 1.00 30.42 C ATOM 0 H THR A 13 0.020 -10.263 -7.015 1.00 70.31 H new ATOM 0 HA THR A 13 -2.186 -8.546 -6.932 1.00 31.42 H new ATOM 0 HB THR A 13 -0.592 -9.986 -9.043 1.00 13.43 H new ATOM 0 HG1 THR A 13 0.157 -7.984 -8.009 1.00 71.12 H new ATOM 0 HG21 THR A 13 -1.783 -8.707 -10.785 1.00 30.42 H new ATOM 0 HG22 THR A 13 -2.902 -9.822 -9.967 1.00 30.42 H new ATOM 0 HG23 THR A 13 -2.925 -8.088 -9.569 1.00 30.42 H new ATOM 205 N ALA A 14 -3.001 -11.545 -7.972 1.00 55.22 N ATOM 206 CA ALA A 14 -4.131 -12.445 -8.133 1.00 10.42 C ATOM 207 C ALA A 14 -4.763 -12.713 -6.765 1.00 44.42 C ATOM 208 O ALA A 14 -5.934 -13.077 -6.679 1.00 53.32 O ATOM 209 CB ALA A 14 -3.667 -13.729 -8.822 1.00 63.14 C ATOM 0 H ALA A 14 -2.100 -11.940 -8.241 1.00 55.22 H new ATOM 0 HA ALA A 14 -4.894 -11.993 -8.766 1.00 10.42 H new ATOM 0 HB1 ALA A 14 -4.514 -14.404 -8.943 1.00 63.14 H new ATOM 0 HB2 ALA A 14 -3.253 -13.487 -9.801 1.00 63.14 H new ATOM 0 HB3 ALA A 14 -2.902 -14.212 -8.214 1.00 63.14 H new ATOM 215 N ALA A 15 -3.958 -12.522 -5.730 1.00 30.00 N ATOM 216 CA ALA A 15 -4.424 -12.739 -4.371 1.00 5.44 C ATOM 217 C ALA A 15 -5.189 -11.502 -3.895 1.00 72.23 C ATOM 218 O ALA A 15 -5.951 -11.572 -2.932 1.00 2.31 O ATOM 219 CB ALA A 15 -3.232 -13.069 -3.469 1.00 50.34 C ATOM 0 H ALA A 15 -2.987 -12.220 -5.805 1.00 30.00 H new ATOM 0 HA ALA A 15 -5.109 -13.586 -4.331 1.00 5.44 H new ATOM 0 HB1 ALA A 15 -3.581 -13.232 -2.449 1.00 50.34 H new ATOM 0 HB2 ALA A 15 -2.740 -13.971 -3.832 1.00 50.34 H new ATOM 0 HB3 ALA A 15 -2.525 -12.239 -3.482 1.00 50.34 H new ATOM 225 N LEU A 16 -4.960 -10.399 -4.593 1.00 74.40 N ATOM 226 CA LEU A 16 -5.619 -9.149 -4.254 1.00 72.34 C ATOM 227 C LEU A 16 -6.935 -9.046 -5.027 1.00 54.35 C ATOM 228 O LEU A 16 -7.886 -8.420 -4.561 1.00 32.55 O ATOM 229 CB LEU A 16 -4.676 -7.967 -4.485 1.00 1.01 C ATOM 230 CG LEU A 16 -3.783 -7.582 -3.304 1.00 4.50 C ATOM 231 CD1 LEU A 16 -2.567 -6.780 -3.775 1.00 31.44 C ATOM 232 CD2 LEU A 16 -4.581 -6.836 -2.233 1.00 51.40 C ATOM 0 H LEU A 16 -4.328 -10.345 -5.391 1.00 74.40 H new ATOM 0 HA LEU A 16 -5.869 -9.125 -3.193 1.00 72.34 H new ATOM 0 HB2 LEU A 16 -4.038 -8.198 -5.338 1.00 1.01 H new ATOM 0 HB3 LEU A 16 -5.274 -7.099 -4.761 1.00 1.01 H new ATOM 0 HG LEU A 16 -3.408 -8.498 -2.847 1.00 4.50 H new ATOM 0 HD11 LEU A 16 -1.949 -6.519 -2.916 1.00 31.44 H new ATOM 0 HD12 LEU A 16 -1.984 -7.380 -4.473 1.00 31.44 H new ATOM 0 HD13 LEU A 16 -2.902 -5.869 -4.271 1.00 31.44 H new ATOM 0 HD21 LEU A 16 -3.922 -6.574 -1.405 1.00 51.40 H new ATOM 0 HD22 LEU A 16 -5.004 -5.927 -2.661 1.00 51.40 H new ATOM 0 HD23 LEU A 16 -5.386 -7.474 -1.868 1.00 51.40 H new ATOM 244 N ASP A 17 -6.948 -9.668 -6.197 1.00 33.31 N ATOM 245 CA ASP A 17 -8.132 -9.654 -7.039 1.00 72.03 C ATOM 246 C ASP A 17 -9.084 -10.766 -6.593 1.00 1.20 C ATOM 247 O ASP A 17 -10.264 -10.754 -6.939 1.00 12.41 O ATOM 248 CB ASP A 17 -7.769 -9.903 -8.504 1.00 43.24 C ATOM 249 CG ASP A 17 -8.796 -9.399 -9.520 1.00 42.52 C ATOM 250 OD1 ASP A 17 -10.012 -9.482 -9.294 1.00 10.24 O ATOM 251 OD2 ASP A 17 -8.295 -8.896 -10.598 1.00 14.34 O ATOM 0 H ASP A 17 -6.157 -10.185 -6.582 1.00 33.31 H new ATOM 0 HA ASP A 17 -8.601 -8.674 -6.944 1.00 72.03 H new ATOM 0 HB2 ASP A 17 -6.811 -9.426 -8.711 1.00 43.24 H new ATOM 0 HB3 ASP A 17 -7.630 -10.974 -8.651 1.00 43.24 H new ATOM 257 N GLY A 18 -8.535 -11.701 -5.831 1.00 42.44 N ATOM 258 CA GLY A 18 -9.320 -12.817 -5.334 1.00 71.51 C ATOM 259 C GLY A 18 -10.186 -12.393 -4.146 1.00 71.13 C ATOM 260 O GLY A 18 -11.112 -13.106 -3.762 1.00 62.33 O ATOM 0 H GLY A 18 -7.556 -11.708 -5.546 1.00 42.44 H new ATOM 0 HA2 GLY A 18 -9.955 -13.203 -6.132 1.00 71.51 H new ATOM 0 HA3 GLY A 18 -8.656 -13.628 -5.034 1.00 71.51 H new ATOM 264 N CYS A 19 -9.855 -11.234 -3.598 1.00 3.43 N ATOM 265 CA CYS A 19 -10.591 -10.706 -2.461 1.00 44.34 C ATOM 266 C CYS A 19 -11.419 -9.511 -2.939 1.00 3.05 C ATOM 267 O CYS A 19 -12.388 -9.123 -2.288 1.00 23.24 O ATOM 268 CB CYS A 19 -9.658 -10.330 -1.309 1.00 3.45 C ATOM 269 SG CYS A 19 -8.312 -9.250 -1.919 1.00 55.40 S ATOM 0 H CYS A 19 -9.087 -10.645 -3.920 1.00 3.43 H new ATOM 0 HA CYS A 19 -11.257 -11.474 -2.066 1.00 44.34 H new ATOM 0 HB2 CYS A 19 -10.220 -9.818 -0.528 1.00 3.45 H new ATOM 0 HB3 CYS A 19 -9.238 -11.231 -0.862 1.00 3.45 H new ATOM 0 HG CYS A 19 -8.530 -8.946 -3.164 1.00 55.40 H new ATOM 275 N LYS A 20 -11.007 -8.961 -4.071 1.00 43.41 N ATOM 276 CA LYS A 20 -11.698 -7.818 -4.643 1.00 14.11 C ATOM 277 C LYS A 20 -13.208 -8.011 -4.487 1.00 52.13 C ATOM 278 O LYS A 20 -13.951 -7.040 -4.354 1.00 53.31 O ATOM 279 CB LYS A 20 -11.253 -7.591 -6.089 1.00 53.20 C ATOM 280 CG LYS A 20 -10.077 -6.614 -6.154 1.00 15.12 C ATOM 281 CD LYS A 20 -9.716 -6.286 -7.604 1.00 34.00 C ATOM 282 CE LYS A 20 -10.972 -6.003 -8.431 1.00 70.31 C ATOM 283 NZ LYS A 20 -10.608 -5.424 -9.744 1.00 34.03 N ATOM 0 H LYS A 20 -10.203 -9.286 -4.608 1.00 43.41 H new ATOM 0 HA LYS A 20 -11.435 -6.906 -4.107 1.00 14.11 H new ATOM 0 HB2 LYS A 20 -10.966 -8.542 -6.538 1.00 53.20 H new ATOM 0 HB3 LYS A 20 -12.087 -7.201 -6.673 1.00 53.20 H new ATOM 0 HG2 LYS A 20 -10.332 -5.697 -5.623 1.00 15.12 H new ATOM 0 HG3 LYS A 20 -9.213 -7.046 -5.649 1.00 15.12 H new ATOM 0 HD2 LYS A 20 -9.056 -5.419 -7.631 1.00 34.00 H new ATOM 0 HD3 LYS A 20 -9.167 -7.119 -8.043 1.00 34.00 H new ATOM 0 HE2 LYS A 20 -11.534 -6.925 -8.577 1.00 70.31 H new ATOM 0 HE3 LYS A 20 -11.623 -5.315 -7.891 1.00 70.31 H new ATOM 0 HZ1 LYS A 20 -11.472 -5.238 -10.293 1.00 34.03 H new ATOM 0 HZ2 LYS A 20 -10.091 -4.533 -9.599 1.00 34.03 H new ATOM 0 HZ3 LYS A 20 -10.005 -6.094 -10.264 1.00 34.03 H new ATOM 296 N ALA A 21 -13.617 -9.271 -4.509 1.00 42.02 N ATOM 297 CA ALA A 21 -15.025 -9.604 -4.372 1.00 44.22 C ATOM 298 C ALA A 21 -15.455 -9.394 -2.919 1.00 3.20 C ATOM 299 O ALA A 21 -14.951 -10.060 -2.016 1.00 64.12 O ATOM 300 CB ALA A 21 -15.259 -11.039 -4.848 1.00 43.10 C ATOM 0 H ALA A 21 -12.998 -10.074 -4.620 1.00 42.02 H new ATOM 0 HA ALA A 21 -15.636 -8.951 -4.994 1.00 44.22 H new ATOM 0 HB1 ALA A 21 -16.315 -11.289 -4.745 1.00 43.10 H new ATOM 0 HB2 ALA A 21 -14.965 -11.128 -5.894 1.00 43.10 H new ATOM 0 HB3 ALA A 21 -14.664 -11.724 -4.244 1.00 43.10 H new ATOM 306 N ALA A 22 -16.382 -8.465 -2.738 1.00 71.11 N ATOM 307 CA ALA A 22 -16.886 -8.159 -1.410 1.00 22.00 C ATOM 308 C ALA A 22 -17.302 -9.457 -0.716 1.00 34.14 C ATOM 309 O ALA A 22 -17.723 -10.409 -1.372 1.00 11.25 O ATOM 310 CB ALA A 22 -18.039 -7.160 -1.519 1.00 54.10 C ATOM 0 H ALA A 22 -16.797 -7.914 -3.489 1.00 71.11 H new ATOM 0 HA ALA A 22 -16.109 -7.695 -0.802 1.00 22.00 H new ATOM 0 HB1 ALA A 22 -18.417 -6.931 -0.523 1.00 54.10 H new ATOM 0 HB2 ALA A 22 -17.684 -6.245 -1.992 1.00 54.10 H new ATOM 0 HB3 ALA A 22 -18.839 -7.592 -2.120 1.00 54.10 H new ATOM 316 N GLY A 23 -17.171 -9.454 0.603 1.00 62.12 N ATOM 317 CA GLY A 23 -17.528 -10.620 1.393 1.00 14.33 C ATOM 318 C GLY A 23 -17.106 -11.911 0.689 1.00 53.43 C ATOM 319 O GLY A 23 -17.738 -12.951 0.861 1.00 35.54 O ATOM 0 H GLY A 23 -16.823 -8.663 1.144 1.00 62.12 H new ATOM 0 HA2 GLY A 23 -17.049 -10.562 2.370 1.00 14.33 H new ATOM 0 HA3 GLY A 23 -18.604 -10.631 1.565 1.00 14.33 H new ATOM 323 N SER A 24 -16.040 -11.800 -0.090 1.00 73.44 N ATOM 324 CA SER A 24 -15.526 -12.946 -0.822 1.00 13.12 C ATOM 325 C SER A 24 -14.044 -13.149 -0.501 1.00 72.50 C ATOM 326 O SER A 24 -13.401 -14.039 -1.057 1.00 15.31 O ATOM 327 CB SER A 24 -15.724 -12.771 -2.329 1.00 31.02 C ATOM 328 OG SER A 24 -15.838 -14.022 -3.001 1.00 34.40 O ATOM 0 H SER A 24 -15.518 -10.935 -0.230 1.00 73.44 H new ATOM 0 HA SER A 24 -16.083 -13.829 -0.510 1.00 13.12 H new ATOM 0 HB2 SER A 24 -16.621 -12.179 -2.510 1.00 31.02 H new ATOM 0 HB3 SER A 24 -14.884 -12.212 -2.743 1.00 31.02 H new ATOM 0 HG SER A 24 -15.965 -13.868 -3.960 1.00 34.40 H new ATOM 334 N PHE A 25 -13.545 -12.310 0.395 1.00 61.54 N ATOM 335 CA PHE A 25 -12.151 -12.387 0.796 1.00 25.11 C ATOM 336 C PHE A 25 -11.863 -13.697 1.534 1.00 54.45 C ATOM 337 O PHE A 25 -12.528 -14.017 2.518 1.00 61.53 O ATOM 338 CB PHE A 25 -11.893 -11.214 1.745 1.00 72.55 C ATOM 339 CG PHE A 25 -10.644 -11.379 2.612 1.00 2.24 C ATOM 340 CD1 PHE A 25 -9.418 -11.084 2.102 1.00 20.23 C ATOM 341 CD2 PHE A 25 -10.759 -11.819 3.894 1.00 72.42 C ATOM 342 CE1 PHE A 25 -8.259 -11.237 2.908 1.00 45.23 C ATOM 343 CE2 PHE A 25 -9.600 -11.972 4.699 1.00 4.03 C ATOM 344 CZ PHE A 25 -8.374 -11.677 4.189 1.00 22.41 C ATOM 0 H PHE A 25 -14.081 -11.574 0.854 1.00 61.54 H new ATOM 0 HA PHE A 25 -11.509 -12.348 -0.084 1.00 25.11 H new ATOM 0 HB2 PHE A 25 -11.798 -10.300 1.159 1.00 72.55 H new ATOM 0 HB3 PHE A 25 -12.759 -11.088 2.394 1.00 72.55 H new ATOM 0 HD1 PHE A 25 -9.326 -10.734 1.085 1.00 20.23 H new ATOM 0 HD2 PHE A 25 -11.732 -12.052 4.299 1.00 72.42 H new ATOM 0 HE1 PHE A 25 -7.285 -11.004 2.503 1.00 45.23 H new ATOM 0 HE2 PHE A 25 -9.692 -12.323 5.716 1.00 4.03 H new ATOM 0 HZ PHE A 25 -7.492 -11.792 4.802 1.00 22.41 H new ATOM 354 N ASP A 26 -10.873 -14.417 1.029 1.00 22.53 N ATOM 355 CA ASP A 26 -10.490 -15.685 1.628 1.00 45.11 C ATOM 356 C ASP A 26 -9.006 -15.641 1.999 1.00 0.44 C ATOM 357 O ASP A 26 -8.160 -16.128 1.251 1.00 12.10 O ATOM 358 CB ASP A 26 -10.697 -16.842 0.648 1.00 13.34 C ATOM 359 CG ASP A 26 -12.147 -17.307 0.495 1.00 2.21 C ATOM 360 OD1 ASP A 26 -12.986 -16.601 -0.084 1.00 70.31 O ATOM 361 OD2 ASP A 26 -12.406 -18.462 1.007 1.00 24.23 O ATOM 0 H ASP A 26 -10.324 -14.147 0.212 1.00 22.53 H new ATOM 0 HA ASP A 26 -11.111 -15.843 2.510 1.00 45.11 H new ATOM 0 HB2 ASP A 26 -10.322 -16.541 -0.330 1.00 13.34 H new ATOM 0 HB3 ASP A 26 -10.092 -17.688 0.975 1.00 13.34 H new ATOM 367 N HIS A 27 -8.736 -15.052 3.155 1.00 45.30 N ATOM 368 CA HIS A 27 -7.369 -14.937 3.635 1.00 62.41 C ATOM 369 C HIS A 27 -6.611 -16.233 3.339 1.00 20.21 C ATOM 370 O HIS A 27 -5.577 -16.214 2.673 1.00 2.24 O ATOM 371 CB HIS A 27 -7.343 -14.561 5.118 1.00 54.24 C ATOM 372 CG HIS A 27 -7.718 -15.692 6.045 1.00 31.20 C ATOM 373 ND1 HIS A 27 -8.998 -16.215 6.111 1.00 62.13 N ATOM 374 CD2 HIS A 27 -6.968 -16.395 6.942 1.00 54.11 C ATOM 375 CE1 HIS A 27 -9.007 -17.187 7.011 1.00 64.44 C ATOM 376 NE2 HIS A 27 -7.748 -17.297 7.525 1.00 50.00 N ATOM 0 H HIS A 27 -9.440 -14.649 3.773 1.00 45.30 H new ATOM 0 HA HIS A 27 -6.861 -14.130 3.107 1.00 62.41 H new ATOM 0 HB2 HIS A 27 -6.344 -14.210 5.376 1.00 54.24 H new ATOM 0 HB3 HIS A 27 -8.026 -13.728 5.283 1.00 54.24 H new ATOM 0 HD2 HIS A 27 -5.918 -16.243 7.144 1.00 54.11 H new ATOM 0 HE1 HIS A 27 -9.861 -17.787 7.289 1.00 64.44 H new ATOM 0 HE2 HIS A 27 -7.454 -17.963 8.240 1.00 50.00 H new ATOM 384 N LYS A 28 -7.155 -17.329 3.849 1.00 51.45 N ATOM 385 CA LYS A 28 -6.543 -18.631 3.647 1.00 34.24 C ATOM 386 C LYS A 28 -6.090 -18.757 2.192 1.00 63.53 C ATOM 387 O LYS A 28 -4.941 -19.108 1.924 1.00 54.21 O ATOM 388 CB LYS A 28 -7.494 -19.744 4.094 1.00 3.02 C ATOM 389 CG LYS A 28 -7.367 -20.003 5.597 1.00 50.31 C ATOM 390 CD LYS A 28 -8.086 -21.294 5.993 1.00 1.25 C ATOM 391 CE LYS A 28 -8.345 -21.336 7.501 1.00 62.32 C ATOM 392 NZ LYS A 28 -8.634 -22.720 7.938 1.00 21.41 N ATOM 0 H LYS A 28 -8.012 -17.342 4.401 1.00 51.45 H new ATOM 0 HA LYS A 28 -5.653 -18.734 4.268 1.00 34.24 H new ATOM 0 HB2 LYS A 28 -8.521 -19.468 3.854 1.00 3.02 H new ATOM 0 HB3 LYS A 28 -7.273 -20.659 3.544 1.00 3.02 H new ATOM 0 HG2 LYS A 28 -6.314 -20.070 5.870 1.00 50.31 H new ATOM 0 HG3 LYS A 28 -7.787 -19.164 6.151 1.00 50.31 H new ATOM 0 HD2 LYS A 28 -9.031 -21.368 5.456 1.00 1.25 H new ATOM 0 HD3 LYS A 28 -7.485 -22.154 5.699 1.00 1.25 H new ATOM 0 HE2 LYS A 28 -7.476 -20.953 8.036 1.00 62.32 H new ATOM 0 HE3 LYS A 28 -9.184 -20.687 7.750 1.00 62.32 H new ATOM 0 HZ1 LYS A 28 -8.807 -22.731 8.963 1.00 21.41 H new ATOM 0 HZ2 LYS A 28 -9.477 -23.072 7.440 1.00 21.41 H new ATOM 0 HZ3 LYS A 28 -7.821 -23.330 7.718 1.00 21.41 H new ATOM 405 N LYS A 29 -7.015 -18.465 1.290 1.00 62.15 N ATOM 406 CA LYS A 29 -6.724 -18.542 -0.132 1.00 53.51 C ATOM 407 C LYS A 29 -5.623 -17.537 -0.478 1.00 72.10 C ATOM 408 O LYS A 29 -4.754 -17.822 -1.301 1.00 15.11 O ATOM 409 CB LYS A 29 -8.004 -18.358 -0.951 1.00 43.20 C ATOM 410 CG LYS A 29 -8.717 -19.695 -1.161 1.00 62.13 C ATOM 411 CD LYS A 29 -8.223 -20.386 -2.434 1.00 40.43 C ATOM 412 CE LYS A 29 -6.844 -21.013 -2.218 1.00 53.11 C ATOM 413 NZ LYS A 29 -6.811 -21.765 -0.944 1.00 73.42 N ATOM 0 H LYS A 29 -7.966 -18.175 1.516 1.00 62.15 H new ATOM 0 HA LYS A 29 -6.346 -19.531 -0.391 1.00 53.51 H new ATOM 0 HB2 LYS A 29 -8.670 -17.663 -0.440 1.00 43.20 H new ATOM 0 HB3 LYS A 29 -7.761 -17.915 -1.917 1.00 43.20 H new ATOM 0 HG2 LYS A 29 -8.544 -20.342 -0.301 1.00 62.13 H new ATOM 0 HG3 LYS A 29 -9.793 -19.531 -1.226 1.00 62.13 H new ATOM 0 HD2 LYS A 29 -8.934 -21.156 -2.733 1.00 40.43 H new ATOM 0 HD3 LYS A 29 -8.174 -19.664 -3.249 1.00 40.43 H new ATOM 0 HE2 LYS A 29 -6.607 -21.680 -3.047 1.00 53.11 H new ATOM 0 HE3 LYS A 29 -6.081 -20.234 -2.207 1.00 53.11 H new ATOM 0 HZ1 LYS A 29 -6.005 -22.422 -0.950 1.00 73.42 H new ATOM 0 HZ2 LYS A 29 -6.710 -21.100 -0.151 1.00 73.42 H new ATOM 0 HZ3 LYS A 29 -7.695 -22.302 -0.835 1.00 73.42 H new ATOM 426 N PHE A 30 -5.696 -16.383 0.168 1.00 45.42 N ATOM 427 CA PHE A 30 -4.716 -15.334 -0.061 1.00 63.31 C ATOM 428 C PHE A 30 -3.304 -15.820 0.275 1.00 33.13 C ATOM 429 O PHE A 30 -2.445 -15.897 -0.602 1.00 31.34 O ATOM 430 CB PHE A 30 -5.077 -14.173 0.867 1.00 35.44 C ATOM 431 CG PHE A 30 -4.650 -12.801 0.343 1.00 14.11 C ATOM 432 CD1 PHE A 30 -5.587 -11.848 0.090 1.00 32.01 C ATOM 433 CD2 PHE A 30 -3.334 -12.534 0.130 1.00 50.11 C ATOM 434 CE1 PHE A 30 -5.191 -10.574 -0.397 1.00 21.35 C ATOM 435 CE2 PHE A 30 -2.938 -11.260 -0.357 1.00 23.12 C ATOM 436 CZ PHE A 30 -3.875 -10.307 -0.610 1.00 24.22 C ATOM 0 H PHE A 30 -6.418 -16.151 0.850 1.00 45.42 H new ATOM 0 HA PHE A 30 -4.729 -15.036 -1.109 1.00 63.31 H new ATOM 0 HB2 PHE A 30 -6.155 -14.170 1.026 1.00 35.44 H new ATOM 0 HB3 PHE A 30 -4.612 -14.340 1.839 1.00 35.44 H new ATOM 0 HD1 PHE A 30 -6.632 -12.060 0.259 1.00 32.01 H new ATOM 0 HD2 PHE A 30 -2.590 -13.291 0.331 1.00 50.11 H new ATOM 0 HE1 PHE A 30 -5.935 -9.817 -0.598 1.00 21.35 H new ATOM 0 HE2 PHE A 30 -1.893 -11.048 -0.526 1.00 23.12 H new ATOM 0 HZ PHE A 30 -3.574 -9.338 -0.980 1.00 24.22 H new ATOM 446 N PHE A 31 -3.109 -16.135 1.547 1.00 2.13 N ATOM 447 CA PHE A 31 -1.816 -16.611 2.010 1.00 34.13 C ATOM 448 C PHE A 31 -1.380 -17.855 1.234 1.00 41.03 C ATOM 449 O PHE A 31 -0.197 -18.025 0.941 1.00 34.20 O ATOM 450 CB PHE A 31 -1.977 -16.977 3.487 1.00 15.11 C ATOM 451 CG PHE A 31 -2.060 -15.768 4.422 1.00 31.51 C ATOM 452 CD1 PHE A 31 -1.233 -14.705 4.234 1.00 70.31 C ATOM 453 CD2 PHE A 31 -2.961 -15.758 5.441 1.00 5.52 C ATOM 454 CE1 PHE A 31 -1.310 -13.584 5.102 1.00 44.04 C ATOM 455 CE2 PHE A 31 -3.037 -14.636 6.309 1.00 71.10 C ATOM 456 CZ PHE A 31 -2.210 -13.573 6.121 1.00 40.02 C ATOM 0 H PHE A 31 -3.824 -16.070 2.271 1.00 2.13 H new ATOM 0 HA PHE A 31 -1.061 -15.839 1.862 1.00 34.13 H new ATOM 0 HB2 PHE A 31 -2.879 -17.578 3.606 1.00 15.11 H new ATOM 0 HB3 PHE A 31 -1.136 -17.601 3.790 1.00 15.11 H new ATOM 0 HD1 PHE A 31 -0.518 -14.713 3.425 1.00 70.31 H new ATOM 0 HD2 PHE A 31 -3.618 -16.602 5.590 1.00 5.52 H new ATOM 0 HE1 PHE A 31 -0.653 -12.740 4.953 1.00 44.04 H new ATOM 0 HE2 PHE A 31 -3.752 -14.627 7.119 1.00 71.10 H new ATOM 0 HZ PHE A 31 -2.268 -12.720 6.781 1.00 40.02 H new ATOM 466 N LYS A 32 -2.358 -18.692 0.922 1.00 32.40 N ATOM 467 CA LYS A 32 -2.090 -19.916 0.185 1.00 0.40 C ATOM 468 C LYS A 32 -1.787 -19.570 -1.274 1.00 63.54 C ATOM 469 O LYS A 32 -1.105 -20.326 -1.966 1.00 12.32 O ATOM 470 CB LYS A 32 -3.242 -20.908 0.356 1.00 52.43 C ATOM 471 CG LYS A 32 -3.260 -21.489 1.771 1.00 14.51 C ATOM 472 CD LYS A 32 -4.583 -22.205 2.053 1.00 65.34 C ATOM 473 CE LYS A 32 -4.400 -23.296 3.110 1.00 74.33 C ATOM 474 NZ LYS A 32 -5.692 -23.960 3.398 1.00 42.34 N ATOM 0 H LYS A 32 -3.338 -18.547 1.166 1.00 32.40 H new ATOM 0 HA LYS A 32 -1.208 -20.417 0.585 1.00 0.40 H new ATOM 0 HB2 LYS A 32 -4.189 -20.409 0.152 1.00 52.43 H new ATOM 0 HB3 LYS A 32 -3.143 -21.714 -0.371 1.00 52.43 H new ATOM 0 HG2 LYS A 32 -2.432 -22.187 1.892 1.00 14.51 H new ATOM 0 HG3 LYS A 32 -3.112 -20.690 2.498 1.00 14.51 H new ATOM 0 HD2 LYS A 32 -5.326 -21.484 2.394 1.00 65.34 H new ATOM 0 HD3 LYS A 32 -4.966 -22.646 1.132 1.00 65.34 H new ATOM 0 HE2 LYS A 32 -3.676 -24.032 2.760 1.00 74.33 H new ATOM 0 HE3 LYS A 32 -3.996 -22.861 4.024 1.00 74.33 H new ATOM 0 HZ1 LYS A 32 -5.550 -24.698 4.117 1.00 42.34 H new ATOM 0 HZ2 LYS A 32 -6.372 -23.257 3.752 1.00 42.34 H new ATOM 0 HZ3 LYS A 32 -6.062 -24.392 2.527 1.00 42.34 H new ATOM 487 N ALA A 33 -2.308 -18.429 -1.700 1.00 4.13 N ATOM 488 CA ALA A 33 -2.101 -17.975 -3.064 1.00 51.53 C ATOM 489 C ALA A 33 -0.652 -17.513 -3.230 1.00 2.23 C ATOM 490 O ALA A 33 0.096 -18.078 -4.026 1.00 4.30 O ATOM 491 CB ALA A 33 -3.106 -16.869 -3.392 1.00 13.41 C ATOM 0 H ALA A 33 -2.873 -17.805 -1.124 1.00 4.13 H new ATOM 0 HA ALA A 33 -2.270 -18.789 -3.769 1.00 51.53 H new ATOM 0 HB1 ALA A 33 -2.951 -16.528 -4.416 1.00 13.41 H new ATOM 0 HB2 ALA A 33 -4.120 -17.256 -3.288 1.00 13.41 H new ATOM 0 HB3 ALA A 33 -2.965 -16.034 -2.706 1.00 13.41 H new ATOM 497 N CYS A 34 -0.299 -16.490 -2.464 1.00 72.35 N ATOM 498 CA CYS A 34 1.047 -15.946 -2.516 1.00 62.22 C ATOM 499 C CYS A 34 2.020 -17.025 -2.035 1.00 51.31 C ATOM 500 O CYS A 34 3.218 -16.950 -2.305 1.00 33.22 O ATOM 501 CB CYS A 34 1.170 -14.660 -1.696 1.00 75.41 C ATOM 502 SG CYS A 34 0.480 -14.919 -0.021 1.00 1.32 S ATOM 0 H CYS A 34 -0.922 -16.024 -1.804 1.00 72.35 H new ATOM 0 HA CYS A 34 1.291 -15.669 -3.542 1.00 62.22 H new ATOM 0 HB2 CYS A 34 2.216 -14.362 -1.625 1.00 75.41 H new ATOM 0 HB3 CYS A 34 0.641 -13.848 -2.195 1.00 75.41 H new ATOM 0 HG CYS A 34 -0.774 -15.248 -0.114 1.00 1.32 H new ATOM 508 N GLY A 35 1.469 -18.002 -1.331 1.00 74.32 N ATOM 509 CA GLY A 35 2.273 -19.095 -0.810 1.00 13.30 C ATOM 510 C GLY A 35 2.593 -18.882 0.671 1.00 41.31 C ATOM 511 O GLY A 35 3.110 -19.780 1.333 1.00 35.34 O ATOM 0 H GLY A 35 0.475 -18.060 -1.109 1.00 74.32 H new ATOM 0 HA2 GLY A 35 1.740 -20.037 -0.939 1.00 13.30 H new ATOM 0 HA3 GLY A 35 3.200 -19.173 -1.379 1.00 13.30 H new ATOM 515 N LEU A 36 2.273 -17.687 1.147 1.00 63.32 N ATOM 516 CA LEU A 36 2.521 -17.345 2.537 1.00 13.11 C ATOM 517 C LEU A 36 2.181 -18.546 3.422 1.00 70.01 C ATOM 518 O LEU A 36 2.875 -18.817 4.400 1.00 4.14 O ATOM 519 CB LEU A 36 1.767 -16.069 2.917 1.00 50.32 C ATOM 520 CG LEU A 36 2.543 -14.759 2.759 1.00 30.54 C ATOM 521 CD1 LEU A 36 1.630 -13.551 2.978 1.00 22.44 C ATOM 522 CD2 LEU A 36 3.763 -14.731 3.682 1.00 0.22 C ATOM 0 H LEU A 36 1.844 -16.944 0.595 1.00 63.32 H new ATOM 0 HA LEU A 36 3.577 -17.123 2.692 1.00 13.11 H new ATOM 0 HB2 LEU A 36 0.864 -16.009 2.309 1.00 50.32 H new ATOM 0 HB3 LEU A 36 1.447 -16.155 3.955 1.00 50.32 H new ATOM 0 HG LEU A 36 2.912 -14.701 1.735 1.00 30.54 H new ATOM 0 HD11 LEU A 36 2.206 -12.633 2.860 1.00 22.44 H new ATOM 0 HD12 LEU A 36 0.822 -13.569 2.247 1.00 22.44 H new ATOM 0 HD13 LEU A 36 1.211 -13.589 3.983 1.00 22.44 H new ATOM 0 HD21 LEU A 36 4.297 -13.790 3.551 1.00 0.22 H new ATOM 0 HD22 LEU A 36 3.437 -14.822 4.718 1.00 0.22 H new ATOM 0 HD23 LEU A 36 4.425 -15.561 3.436 1.00 0.22 H new ATOM 534 N SER A 37 1.113 -19.234 3.046 1.00 31.00 N ATOM 535 CA SER A 37 0.673 -20.400 3.793 1.00 13.01 C ATOM 536 C SER A 37 1.646 -21.560 3.574 1.00 3.25 C ATOM 537 O SER A 37 1.814 -22.031 2.451 1.00 52.03 O ATOM 538 CB SER A 37 -0.744 -20.812 3.387 1.00 44.03 C ATOM 539 OG SER A 37 -1.292 -21.783 4.274 1.00 73.03 O ATOM 0 H SER A 37 0.539 -19.006 2.234 1.00 31.00 H new ATOM 0 HA SER A 37 0.658 -20.142 4.852 1.00 13.01 H new ATOM 0 HB2 SER A 37 -1.387 -19.932 3.371 1.00 44.03 H new ATOM 0 HB3 SER A 37 -0.729 -21.214 2.374 1.00 44.03 H new ATOM 0 HG SER A 37 -1.009 -21.585 5.191 1.00 73.03 H new ATOM 545 N GLY A 38 2.263 -21.987 4.667 1.00 52.33 N ATOM 546 CA GLY A 38 3.215 -23.083 4.609 1.00 43.54 C ATOM 547 C GLY A 38 4.653 -22.560 4.622 1.00 64.34 C ATOM 548 O GLY A 38 5.579 -23.288 4.979 1.00 14.21 O ATOM 0 H GLY A 38 2.122 -21.593 5.597 1.00 52.33 H new ATOM 0 HA2 GLY A 38 3.059 -23.750 5.457 1.00 43.54 H new ATOM 0 HA3 GLY A 38 3.045 -23.670 3.706 1.00 43.54 H new ATOM 552 N LYS A 39 4.796 -21.303 4.227 1.00 23.55 N ATOM 553 CA LYS A 39 6.106 -20.675 4.189 1.00 21.43 C ATOM 554 C LYS A 39 6.770 -20.807 5.561 1.00 22.14 C ATOM 555 O LYS A 39 6.263 -21.507 6.436 1.00 34.30 O ATOM 556 CB LYS A 39 5.994 -19.231 3.697 1.00 74.34 C ATOM 557 CG LYS A 39 6.093 -19.163 2.171 1.00 30.13 C ATOM 558 CD LYS A 39 7.439 -19.704 1.685 1.00 72.52 C ATOM 559 CE LYS A 39 7.904 -18.968 0.427 1.00 12.41 C ATOM 560 NZ LYS A 39 8.727 -19.858 -0.421 1.00 72.50 N ATOM 0 H LYS A 39 4.026 -20.703 3.931 1.00 23.55 H new ATOM 0 HA LYS A 39 6.751 -21.183 3.472 1.00 21.43 H new ATOM 0 HB2 LYS A 39 5.045 -18.804 4.023 1.00 74.34 H new ATOM 0 HB3 LYS A 39 6.785 -18.628 4.144 1.00 74.34 H new ATOM 0 HG2 LYS A 39 5.283 -19.739 1.724 1.00 30.13 H new ATOM 0 HG3 LYS A 39 5.971 -18.132 1.841 1.00 30.13 H new ATOM 0 HD2 LYS A 39 8.185 -19.593 2.472 1.00 72.52 H new ATOM 0 HD3 LYS A 39 7.352 -20.770 1.476 1.00 72.52 H new ATOM 0 HE2 LYS A 39 7.039 -18.617 -0.136 1.00 12.41 H new ATOM 0 HE3 LYS A 39 8.481 -18.087 0.707 1.00 12.41 H new ATOM 0 HZ1 LYS A 39 9.034 -19.342 -1.270 1.00 72.50 H new ATOM 0 HZ2 LYS A 39 9.562 -20.172 0.114 1.00 72.50 H new ATOM 0 HZ3 LYS A 39 8.165 -20.686 -0.703 1.00 72.50 H new ATOM 573 N SER A 40 7.895 -20.123 5.707 1.00 43.12 N ATOM 574 CA SER A 40 8.634 -20.155 6.958 1.00 42.44 C ATOM 575 C SER A 40 8.034 -19.152 7.945 1.00 3.23 C ATOM 576 O SER A 40 7.643 -18.052 7.558 1.00 0.21 O ATOM 577 CB SER A 40 10.117 -19.853 6.729 1.00 14.24 C ATOM 578 OG SER A 40 10.680 -20.682 5.717 1.00 44.24 O ATOM 0 H SER A 40 8.313 -19.543 4.980 1.00 43.12 H new ATOM 0 HA SER A 40 8.556 -21.158 7.377 1.00 42.44 H new ATOM 0 HB2 SER A 40 10.235 -18.807 6.447 1.00 14.24 H new ATOM 0 HB3 SER A 40 10.664 -19.996 7.661 1.00 14.24 H new ATOM 0 HG SER A 40 11.627 -20.458 5.599 1.00 44.24 H new ATOM 584 N THR A 41 7.981 -19.568 9.202 1.00 12.42 N ATOM 585 CA THR A 41 7.435 -18.720 10.248 1.00 2.54 C ATOM 586 C THR A 41 8.325 -17.492 10.458 1.00 35.41 C ATOM 587 O THR A 41 7.949 -16.563 11.171 1.00 34.43 O ATOM 588 CB THR A 41 7.268 -19.571 11.508 1.00 21.32 C ATOM 589 OG1 THR A 41 6.035 -20.256 11.303 1.00 25.32 O ATOM 590 CG2 THR A 41 7.021 -18.725 12.759 1.00 75.13 C ATOM 0 H THR A 41 8.307 -20.481 9.520 1.00 12.42 H new ATOM 0 HA THR A 41 6.456 -18.330 9.970 1.00 2.54 H new ATOM 0 HB THR A 41 8.159 -20.182 11.654 1.00 21.32 H new ATOM 0 HG1 THR A 41 5.849 -20.833 12.073 1.00 25.32 H new ATOM 0 HG21 THR A 41 6.910 -19.379 13.624 1.00 75.13 H new ATOM 0 HG22 THR A 41 7.866 -18.054 12.917 1.00 75.13 H new ATOM 0 HG23 THR A 41 6.112 -18.139 12.628 1.00 75.13 H new ATOM 598 N ASP A 42 9.487 -17.529 9.824 1.00 41.43 N ATOM 599 CA ASP A 42 10.433 -16.431 9.932 1.00 41.13 C ATOM 600 C ASP A 42 9.993 -15.292 9.010 1.00 1.41 C ATOM 601 O ASP A 42 9.823 -14.158 9.456 1.00 20.01 O ATOM 602 CB ASP A 42 11.836 -16.869 9.506 1.00 53.32 C ATOM 603 CG ASP A 42 12.966 -15.938 9.950 1.00 63.33 C ATOM 604 OD1 ASP A 42 14.129 -16.113 9.556 1.00 21.22 O ATOM 605 OD2 ASP A 42 12.609 -14.987 10.745 1.00 61.14 O ATOM 0 H ASP A 42 9.795 -18.302 9.234 1.00 41.43 H new ATOM 0 HA ASP A 42 10.457 -16.107 10.973 1.00 41.13 H new ATOM 0 HB2 ASP A 42 12.027 -17.865 9.907 1.00 53.32 H new ATOM 0 HB3 ASP A 42 11.860 -16.953 8.419 1.00 53.32 H new ATOM 611 N GLU A 43 9.822 -15.632 7.741 1.00 35.43 N ATOM 612 CA GLU A 43 9.405 -14.652 6.753 1.00 73.21 C ATOM 613 C GLU A 43 8.066 -14.029 7.155 1.00 65.00 C ATOM 614 O GLU A 43 7.869 -12.824 7.006 1.00 22.13 O ATOM 615 CB GLU A 43 9.321 -15.280 5.360 1.00 11.41 C ATOM 616 CG GLU A 43 7.942 -15.897 5.119 1.00 53.33 C ATOM 617 CD GLU A 43 7.859 -16.526 3.726 1.00 14.44 C ATOM 618 OE1 GLU A 43 8.581 -17.491 3.438 1.00 22.21 O ATOM 619 OE2 GLU A 43 7.005 -15.977 2.930 1.00 13.33 O ATOM 0 H GLU A 43 9.965 -16.573 7.374 1.00 35.43 H new ATOM 0 HA GLU A 43 10.154 -13.861 6.715 1.00 73.21 H new ATOM 0 HB2 GLU A 43 9.522 -14.522 4.603 1.00 11.41 H new ATOM 0 HB3 GLU A 43 10.089 -16.046 5.256 1.00 11.41 H new ATOM 0 HG2 GLU A 43 7.741 -16.654 5.877 1.00 53.33 H new ATOM 0 HG3 GLU A 43 7.174 -15.131 5.222 1.00 53.33 H new ATOM 627 N VAL A 44 7.182 -14.878 7.656 1.00 35.05 N ATOM 628 CA VAL A 44 5.868 -14.426 8.081 1.00 14.40 C ATOM 629 C VAL A 44 6.018 -13.161 8.929 1.00 52.11 C ATOM 630 O VAL A 44 5.354 -12.157 8.675 1.00 5.30 O ATOM 631 CB VAL A 44 5.137 -15.553 8.813 1.00 23.24 C ATOM 632 CG1 VAL A 44 3.819 -15.056 9.409 1.00 12.04 C ATOM 633 CG2 VAL A 44 4.904 -16.748 7.887 1.00 63.13 C ATOM 0 H VAL A 44 7.349 -15.877 7.777 1.00 35.05 H new ATOM 0 HA VAL A 44 5.256 -14.168 7.217 1.00 14.40 H new ATOM 0 HB VAL A 44 5.772 -15.885 9.635 1.00 23.24 H new ATOM 0 HG11 VAL A 44 3.320 -15.877 9.924 1.00 12.04 H new ATOM 0 HG12 VAL A 44 4.020 -14.253 10.118 1.00 12.04 H new ATOM 0 HG13 VAL A 44 3.176 -14.684 8.611 1.00 12.04 H new ATOM 0 HG21 VAL A 44 4.383 -17.535 8.432 1.00 63.13 H new ATOM 0 HG22 VAL A 44 4.300 -16.436 7.035 1.00 63.13 H new ATOM 0 HG23 VAL A 44 5.863 -17.126 7.533 1.00 63.13 H new ATOM 643 N LYS A 45 6.894 -13.251 9.919 1.00 73.32 N ATOM 644 CA LYS A 45 7.139 -12.127 10.806 1.00 45.24 C ATOM 645 C LYS A 45 7.506 -10.897 9.973 1.00 53.41 C ATOM 646 O LYS A 45 7.194 -9.769 10.354 1.00 24.40 O ATOM 647 CB LYS A 45 8.189 -12.493 11.857 1.00 44.23 C ATOM 648 CG LYS A 45 7.663 -13.573 12.804 1.00 24.10 C ATOM 649 CD LYS A 45 8.816 -14.320 13.477 1.00 23.43 C ATOM 650 CE LYS A 45 8.291 -15.416 14.407 1.00 13.33 C ATOM 651 NZ LYS A 45 7.685 -14.820 15.619 1.00 34.00 N ATOM 0 H LYS A 45 7.443 -14.085 10.126 1.00 73.32 H new ATOM 0 HA LYS A 45 6.236 -11.878 11.364 1.00 45.24 H new ATOM 0 HB2 LYS A 45 9.095 -12.846 11.364 1.00 44.23 H new ATOM 0 HB3 LYS A 45 8.462 -11.605 12.428 1.00 44.23 H new ATOM 0 HG2 LYS A 45 7.027 -13.118 13.563 1.00 24.10 H new ATOM 0 HG3 LYS A 45 7.043 -14.277 12.250 1.00 24.10 H new ATOM 0 HD2 LYS A 45 9.461 -14.761 12.717 1.00 23.43 H new ATOM 0 HD3 LYS A 45 9.427 -13.618 14.045 1.00 23.43 H new ATOM 0 HE2 LYS A 45 7.551 -16.022 13.884 1.00 13.33 H new ATOM 0 HE3 LYS A 45 9.106 -16.082 14.690 1.00 13.33 H new ATOM 0 HZ1 LYS A 45 8.023 -15.327 16.462 1.00 34.00 H new ATOM 0 HZ2 LYS A 45 7.956 -13.818 15.686 1.00 34.00 H new ATOM 0 HZ3 LYS A 45 6.649 -14.895 15.562 1.00 34.00 H new ATOM 664 N LYS A 46 8.162 -11.155 8.851 1.00 11.02 N ATOM 665 CA LYS A 46 8.574 -10.083 7.961 1.00 11.33 C ATOM 666 C LYS A 46 7.381 -9.648 7.107 1.00 23.11 C ATOM 667 O LYS A 46 7.340 -8.519 6.621 1.00 40.00 O ATOM 668 CB LYS A 46 9.795 -10.506 7.142 1.00 3.45 C ATOM 669 CG LYS A 46 10.733 -11.385 7.971 1.00 24.25 C ATOM 670 CD LYS A 46 11.036 -10.740 9.325 1.00 5.22 C ATOM 671 CE LYS A 46 12.023 -9.580 9.171 1.00 34.22 C ATOM 672 NZ LYS A 46 12.717 -9.316 10.452 1.00 75.54 N ATOM 0 H LYS A 46 8.418 -12.091 8.538 1.00 11.02 H new ATOM 0 HA LYS A 46 8.890 -9.212 8.535 1.00 11.33 H new ATOM 0 HB2 LYS A 46 9.471 -11.049 6.254 1.00 3.45 H new ATOM 0 HB3 LYS A 46 10.330 -9.621 6.797 1.00 3.45 H new ATOM 0 HG2 LYS A 46 10.279 -12.364 8.124 1.00 24.25 H new ATOM 0 HG3 LYS A 46 11.663 -11.547 7.425 1.00 24.25 H new ATOM 0 HD2 LYS A 46 10.111 -10.378 9.775 1.00 5.22 H new ATOM 0 HD3 LYS A 46 11.449 -11.486 10.003 1.00 5.22 H new ATOM 0 HE2 LYS A 46 12.753 -9.816 8.397 1.00 34.22 H new ATOM 0 HE3 LYS A 46 11.493 -8.685 8.846 1.00 34.22 H new ATOM 0 HZ1 LYS A 46 13.383 -8.526 10.330 1.00 75.54 H new ATOM 0 HZ2 LYS A 46 12.018 -9.070 11.181 1.00 75.54 H new ATOM 0 HZ3 LYS A 46 13.239 -10.166 10.746 1.00 75.54 H new ATOM 685 N ALA A 47 6.440 -10.567 6.950 1.00 22.54 N ATOM 686 CA ALA A 47 5.250 -10.293 6.163 1.00 31.44 C ATOM 687 C ALA A 47 4.236 -9.538 7.026 1.00 63.34 C ATOM 688 O ALA A 47 3.350 -8.865 6.502 1.00 61.11 O ATOM 689 CB ALA A 47 4.686 -11.606 5.616 1.00 63.22 C ATOM 0 H ALA A 47 6.478 -11.503 7.355 1.00 22.54 H new ATOM 0 HA ALA A 47 5.492 -9.661 5.309 1.00 31.44 H new ATOM 0 HB1 ALA A 47 3.793 -11.400 5.026 1.00 63.22 H new ATOM 0 HB2 ALA A 47 5.434 -12.089 4.987 1.00 63.22 H new ATOM 0 HB3 ALA A 47 4.429 -12.265 6.445 1.00 63.22 H new ATOM 695 N PHE A 48 4.401 -9.676 8.333 1.00 10.20 N ATOM 696 CA PHE A 48 3.511 -9.015 9.273 1.00 44.11 C ATOM 697 C PHE A 48 3.777 -7.509 9.312 1.00 14.45 C ATOM 698 O PHE A 48 2.917 -6.734 9.731 1.00 63.23 O ATOM 699 CB PHE A 48 3.799 -9.608 10.654 1.00 42.14 C ATOM 700 CG PHE A 48 3.048 -8.920 11.795 1.00 35.21 C ATOM 701 CD1 PHE A 48 1.884 -9.449 12.259 1.00 75.23 C ATOM 702 CD2 PHE A 48 3.543 -7.780 12.346 1.00 2.10 C ATOM 703 CE1 PHE A 48 1.186 -8.811 13.318 1.00 31.01 C ATOM 704 CE2 PHE A 48 2.846 -7.142 13.405 1.00 15.44 C ATOM 705 CZ PHE A 48 1.682 -7.671 13.869 1.00 15.31 C ATOM 0 H PHE A 48 5.137 -10.235 8.764 1.00 10.20 H new ATOM 0 HA PHE A 48 2.474 -9.166 8.974 1.00 44.11 H new ATOM 0 HB2 PHE A 48 3.537 -10.666 10.646 1.00 42.14 H new ATOM 0 HB3 PHE A 48 4.870 -9.547 10.848 1.00 42.14 H new ATOM 0 HD1 PHE A 48 1.491 -10.355 11.822 1.00 75.23 H new ATOM 0 HD2 PHE A 48 4.467 -7.360 11.978 1.00 2.10 H new ATOM 0 HE1 PHE A 48 0.261 -9.231 13.686 1.00 31.01 H new ATOM 0 HE2 PHE A 48 3.240 -6.236 13.842 1.00 15.44 H new ATOM 0 HZ PHE A 48 1.152 -7.186 14.675 1.00 15.31 H new ATOM 715 N ALA A 49 4.970 -7.138 8.871 1.00 32.34 N ATOM 716 CA ALA A 49 5.359 -5.738 8.851 1.00 31.52 C ATOM 717 C ALA A 49 4.707 -5.050 7.650 1.00 2.24 C ATOM 718 O ALA A 49 4.177 -3.947 7.775 1.00 11.03 O ATOM 719 CB ALA A 49 6.885 -5.633 8.826 1.00 0.02 C ATOM 0 H ALA A 49 5.680 -7.783 8.525 1.00 32.34 H new ATOM 0 HA ALA A 49 5.012 -5.230 9.751 1.00 31.52 H new ATOM 0 HB1 ALA A 49 7.177 -4.583 8.811 1.00 0.02 H new ATOM 0 HB2 ALA A 49 7.297 -6.112 9.714 1.00 0.02 H new ATOM 0 HB3 ALA A 49 7.269 -6.129 7.935 1.00 0.02 H new ATOM 725 N ILE A 50 4.768 -5.729 6.514 1.00 2.24 N ATOM 726 CA ILE A 50 4.191 -5.196 5.292 1.00 35.21 C ATOM 727 C ILE A 50 2.844 -4.545 5.612 1.00 55.45 C ATOM 728 O ILE A 50 2.574 -3.425 5.180 1.00 53.12 O ATOM 729 CB ILE A 50 4.108 -6.284 4.220 1.00 64.43 C ATOM 730 CG1 ILE A 50 5.453 -6.996 4.056 1.00 1.33 C ATOM 731 CG2 ILE A 50 3.598 -5.712 2.896 1.00 41.02 C ATOM 732 CD1 ILE A 50 6.610 -5.994 4.079 1.00 75.11 C ATOM 0 H ILE A 50 5.208 -6.644 6.414 1.00 2.24 H new ATOM 0 HA ILE A 50 4.831 -4.418 4.876 1.00 35.21 H new ATOM 0 HB ILE A 50 3.385 -7.031 4.548 1.00 64.43 H new ATOM 0 HG12 ILE A 50 5.583 -7.725 4.856 1.00 1.33 H new ATOM 0 HG13 ILE A 50 5.464 -7.548 3.116 1.00 1.33 H new ATOM 0 HG21 ILE A 50 3.549 -6.506 2.151 1.00 41.02 H new ATOM 0 HG22 ILE A 50 2.604 -5.289 3.041 1.00 41.02 H new ATOM 0 HG23 ILE A 50 4.277 -4.933 2.551 1.00 41.02 H new ATOM 0 HD11 ILE A 50 7.554 -6.526 3.961 1.00 75.11 H new ATOM 0 HD12 ILE A 50 6.490 -5.281 3.263 1.00 75.11 H new ATOM 0 HD13 ILE A 50 6.611 -5.461 5.030 1.00 75.11 H new ATOM 744 N ILE A 51 2.034 -5.274 6.365 1.00 14.52 N ATOM 745 CA ILE A 51 0.721 -4.781 6.747 1.00 3.55 C ATOM 746 C ILE A 51 0.883 -3.647 7.763 1.00 72.25 C ATOM 747 O ILE A 51 0.479 -2.515 7.503 1.00 2.42 O ATOM 748 CB ILE A 51 -0.159 -5.929 7.243 1.00 31.43 C ATOM 749 CG1 ILE A 51 -0.066 -7.136 6.307 1.00 44.55 C ATOM 750 CG2 ILE A 51 -1.604 -5.467 7.440 1.00 33.12 C ATOM 751 CD1 ILE A 51 0.171 -8.425 7.095 1.00 22.20 C ATOM 0 H ILE A 51 2.261 -6.202 6.721 1.00 14.52 H new ATOM 0 HA ILE A 51 0.204 -4.365 5.882 1.00 3.55 H new ATOM 0 HB ILE A 51 0.213 -6.247 8.217 1.00 31.43 H new ATOM 0 HG12 ILE A 51 -0.986 -7.223 5.728 1.00 44.55 H new ATOM 0 HG13 ILE A 51 0.746 -6.987 5.595 1.00 44.55 H new ATOM 0 HG21 ILE A 51 -2.208 -6.303 7.793 1.00 33.12 H new ATOM 0 HG22 ILE A 51 -1.632 -4.663 8.175 1.00 33.12 H new ATOM 0 HG23 ILE A 51 -2.003 -5.106 6.492 1.00 33.12 H new ATOM 0 HD11 ILE A 51 0.233 -9.267 6.405 1.00 22.20 H new ATOM 0 HD12 ILE A 51 1.104 -8.344 7.653 1.00 22.20 H new ATOM 0 HD13 ILE A 51 -0.654 -8.584 7.789 1.00 22.20 H new ATOM 763 N ASP A 52 1.474 -3.992 8.897 1.00 11.21 N ATOM 764 CA ASP A 52 1.694 -3.017 9.952 1.00 32.44 C ATOM 765 C ASP A 52 2.131 -1.689 9.331 1.00 35.13 C ATOM 766 O ASP A 52 3.279 -1.542 8.917 1.00 41.44 O ATOM 767 CB ASP A 52 2.797 -3.479 10.907 1.00 42.44 C ATOM 768 CG ASP A 52 2.351 -4.476 11.978 1.00 52.42 C ATOM 769 OD1 ASP A 52 2.504 -4.229 13.183 1.00 21.13 O ATOM 770 OD2 ASP A 52 1.818 -5.560 11.525 1.00 1.13 O ATOM 0 H ASP A 52 1.807 -4.932 9.109 1.00 11.21 H new ATOM 0 HA ASP A 52 0.762 -2.903 10.506 1.00 32.44 H new ATOM 0 HB2 ASP A 52 3.597 -3.932 10.322 1.00 42.44 H new ATOM 0 HB3 ASP A 52 3.219 -2.604 11.401 1.00 42.44 H new ATOM 776 N GLN A 53 1.191 -0.756 9.287 1.00 71.13 N ATOM 777 CA GLN A 53 1.464 0.555 8.723 1.00 23.01 C ATOM 778 C GLN A 53 1.847 1.539 9.830 1.00 5.21 C ATOM 779 O GLN A 53 2.504 2.544 9.640 1.00 62.22 O ATOM 780 CB GLN A 53 0.265 1.069 7.923 1.00 25.15 C ATOM 781 CG GLN A 53 -0.244 0.002 6.953 1.00 74.31 C ATOM 782 CD GLN A 53 -1.107 0.627 5.855 1.00 71.44 C ATOM 783 OE1 GLN A 53 -0.617 1.194 4.892 1.00 72.11 O ATOM 784 NE2 GLN A 53 -2.415 0.492 6.052 1.00 74.52 N ATOM 0 H GLN A 53 0.240 -0.882 9.633 1.00 71.13 H new ATOM 0 HA GLN A 53 2.305 0.465 8.036 1.00 23.01 H new ATOM 0 HB2 GLN A 53 -0.535 1.357 8.605 1.00 25.15 H new ATOM 0 HB3 GLN A 53 0.549 1.964 7.369 1.00 25.15 H new ATOM 0 HG2 GLN A 53 0.601 -0.519 6.504 1.00 74.31 H new ATOM 0 HG3 GLN A 53 -0.825 -0.743 7.498 1.00 74.31 H new ATOM 0 HE21 GLN A 53 -2.758 0.006 6.880 1.00 74.52 H new ATOM 0 HE22 GLN A 53 -3.075 0.875 5.375 1.00 74.52 H new ATOM 793 N ASP A 54 1.415 1.226 11.020 1.00 23.23 N ATOM 794 CA ASP A 54 1.727 2.102 12.185 1.00 64.42 C ATOM 795 C ASP A 54 2.660 1.369 13.156 1.00 53.44 C ATOM 796 O ASP A 54 2.949 1.932 14.211 1.00 73.43 O ATOM 797 CB ASP A 54 0.376 2.379 12.844 1.00 2.54 C ATOM 798 CG ASP A 54 -0.353 1.058 13.092 1.00 15.43 C ATOM 799 OD1 ASP A 54 -0.662 0.383 12.124 1.00 51.24 O ATOM 800 OD2 ASP A 54 -0.594 0.743 14.246 1.00 2.03 O ATOM 0 H ASP A 54 0.858 0.399 11.237 1.00 23.23 H new ATOM 0 HA ASP A 54 2.231 3.022 11.891 1.00 64.42 H new ATOM 0 HB2 ASP A 54 0.521 2.909 13.786 1.00 2.54 H new ATOM 0 HB3 ASP A 54 -0.227 3.024 12.205 1.00 2.54 H new ATOM 805 N LYS A 55 3.096 0.170 12.801 1.00 74.43 N ATOM 806 CA LYS A 55 3.978 -0.592 13.667 1.00 25.43 C ATOM 807 C LYS A 55 3.511 -0.449 15.117 1.00 4.22 C ATOM 808 O LYS A 55 4.310 -0.148 16.003 1.00 32.44 O ATOM 809 CB LYS A 55 5.435 -0.178 13.446 1.00 33.14 C ATOM 810 CG LYS A 55 5.670 0.247 11.995 1.00 32.44 C ATOM 811 CD LYS A 55 5.335 -0.892 11.030 1.00 54.12 C ATOM 812 CE LYS A 55 6.224 -0.836 9.786 1.00 23.04 C ATOM 813 NZ LYS A 55 6.110 -2.091 9.010 1.00 32.13 N ATOM 0 H LYS A 55 2.855 -0.293 11.925 1.00 74.43 H new ATOM 0 HA LYS A 55 3.931 -1.653 13.420 1.00 25.43 H new ATOM 0 HB2 LYS A 55 5.689 0.644 14.115 1.00 33.14 H new ATOM 0 HB3 LYS A 55 6.095 -1.008 13.697 1.00 33.14 H new ATOM 0 HG2 LYS A 55 5.056 1.117 11.763 1.00 32.44 H new ATOM 0 HG3 LYS A 55 6.710 0.546 11.864 1.00 32.44 H new ATOM 0 HD2 LYS A 55 5.467 -1.850 11.533 1.00 54.12 H new ATOM 0 HD3 LYS A 55 4.287 -0.828 10.736 1.00 54.12 H new ATOM 0 HE2 LYS A 55 5.935 0.011 9.163 1.00 23.04 H new ATOM 0 HE3 LYS A 55 7.261 -0.676 10.080 1.00 23.04 H new ATOM 0 HZ1 LYS A 55 6.770 -2.064 8.207 1.00 32.13 H new ATOM 0 HZ2 LYS A 55 6.342 -2.900 9.621 1.00 32.13 H new ATOM 0 HZ3 LYS A 55 5.138 -2.193 8.656 1.00 32.13 H new ATOM 826 N SER A 56 2.220 -0.670 15.314 1.00 21.40 N ATOM 827 CA SER A 56 1.637 -0.569 16.641 1.00 22.42 C ATOM 828 C SER A 56 2.045 -1.779 17.485 1.00 3.43 C ATOM 829 O SER A 56 1.728 -1.847 18.672 1.00 62.42 O ATOM 830 CB SER A 56 0.113 -0.464 16.567 1.00 73.44 C ATOM 831 OG SER A 56 -0.428 -1.277 15.529 1.00 73.42 O ATOM 0 H SER A 56 1.561 -0.919 14.576 1.00 21.40 H new ATOM 0 HA SER A 56 2.014 0.339 17.112 1.00 22.42 H new ATOM 0 HB2 SER A 56 -0.318 -0.762 17.523 1.00 73.44 H new ATOM 0 HB3 SER A 56 -0.171 0.575 16.399 1.00 73.44 H new ATOM 0 HG SER A 56 -1.077 -0.757 15.011 1.00 73.42 H new ATOM 837 N GLY A 57 2.743 -2.702 16.840 1.00 35.11 N ATOM 838 CA GLY A 57 3.197 -3.905 17.516 1.00 23.05 C ATOM 839 C GLY A 57 2.230 -5.066 17.280 1.00 74.31 C ATOM 840 O GLY A 57 2.633 -6.228 17.294 1.00 63.12 O ATOM 0 H GLY A 57 3.005 -2.641 15.856 1.00 35.11 H new ATOM 0 HA2 GLY A 57 4.190 -4.175 17.156 1.00 23.05 H new ATOM 0 HA3 GLY A 57 3.286 -3.713 18.585 1.00 23.05 H new ATOM 844 N PHE A 58 0.971 -4.712 17.068 1.00 13.22 N ATOM 845 CA PHE A 58 -0.058 -5.710 16.829 1.00 42.01 C ATOM 846 C PHE A 58 -0.983 -5.281 15.688 1.00 32.23 C ATOM 847 O PHE A 58 -0.826 -4.196 15.132 1.00 53.35 O ATOM 848 CB PHE A 58 -0.875 -5.827 18.117 1.00 75.24 C ATOM 849 CG PHE A 58 -0.096 -6.408 19.298 1.00 3.42 C ATOM 850 CD1 PHE A 58 -0.438 -7.621 19.809 1.00 41.13 C ATOM 851 CD2 PHE A 58 0.940 -5.710 19.838 1.00 34.30 C ATOM 852 CE1 PHE A 58 0.286 -8.159 20.905 1.00 33.43 C ATOM 853 CE2 PHE A 58 1.663 -6.249 20.935 1.00 43.23 C ATOM 854 CZ PHE A 58 1.321 -7.462 21.445 1.00 20.12 C ATOM 0 H PHE A 58 0.640 -3.747 17.057 1.00 13.22 H new ATOM 0 HA PHE A 58 0.401 -6.659 16.551 1.00 42.01 H new ATOM 0 HB2 PHE A 58 -1.246 -4.839 18.391 1.00 75.24 H new ATOM 0 HB3 PHE A 58 -1.746 -6.453 17.927 1.00 75.24 H new ATOM 0 HD1 PHE A 58 -1.260 -8.175 19.381 1.00 41.13 H new ATOM 0 HD2 PHE A 58 1.212 -4.747 19.432 1.00 34.30 H new ATOM 0 HE1 PHE A 58 0.015 -9.123 21.310 1.00 33.43 H new ATOM 0 HE2 PHE A 58 2.485 -5.695 21.364 1.00 43.23 H new ATOM 0 HZ PHE A 58 1.871 -7.872 22.279 1.00 20.12 H new ATOM 864 N ILE A 59 -1.928 -6.156 15.375 1.00 44.04 N ATOM 865 CA ILE A 59 -2.878 -5.882 14.311 1.00 53.44 C ATOM 866 C ILE A 59 -4.294 -5.859 14.891 1.00 61.24 C ATOM 867 O ILE A 59 -5.050 -6.816 14.729 1.00 0.20 O ATOM 868 CB ILE A 59 -2.700 -6.877 13.163 1.00 63.24 C ATOM 869 CG1 ILE A 59 -1.469 -6.530 12.323 1.00 62.44 C ATOM 870 CG2 ILE A 59 -3.968 -6.966 12.312 1.00 51.15 C ATOM 871 CD1 ILE A 59 -1.023 -7.729 11.483 1.00 42.03 C ATOM 0 H ILE A 59 -2.056 -7.055 15.840 1.00 44.04 H new ATOM 0 HA ILE A 59 -2.693 -4.898 13.880 1.00 53.44 H new ATOM 0 HB ILE A 59 -2.530 -7.865 13.591 1.00 63.24 H new ATOM 0 HG12 ILE A 59 -1.696 -5.688 11.669 1.00 62.44 H new ATOM 0 HG13 ILE A 59 -0.655 -6.216 12.976 1.00 62.44 H new ATOM 0 HG21 ILE A 59 -3.814 -7.680 11.503 1.00 51.15 H new ATOM 0 HG22 ILE A 59 -4.801 -7.295 12.933 1.00 51.15 H new ATOM 0 HG23 ILE A 59 -4.194 -5.986 11.892 1.00 51.15 H new ATOM 0 HD11 ILE A 59 -0.147 -7.456 10.895 1.00 42.03 H new ATOM 0 HD12 ILE A 59 -0.774 -8.562 12.141 1.00 42.03 H new ATOM 0 HD13 ILE A 59 -1.831 -8.025 10.814 1.00 42.03 H new ATOM 883 N GLU A 60 -4.610 -4.757 15.554 1.00 2.31 N ATOM 884 CA GLU A 60 -5.921 -4.597 16.159 1.00 72.10 C ATOM 885 C GLU A 60 -7.016 -4.981 15.161 1.00 11.55 C ATOM 886 O GLU A 60 -6.766 -5.061 13.960 1.00 43.52 O ATOM 887 CB GLU A 60 -6.120 -3.168 16.669 1.00 62.24 C ATOM 888 CG GLU A 60 -5.276 -2.909 17.918 1.00 24.51 C ATOM 889 CD GLU A 60 -3.838 -2.546 17.543 1.00 65.23 C ATOM 890 OE1 GLU A 60 -2.921 -2.716 18.361 1.00 74.10 O ATOM 891 OE2 GLU A 60 -3.688 -2.073 16.352 1.00 1.41 O ATOM 0 H GLU A 60 -3.980 -3.965 15.686 1.00 2.31 H new ATOM 0 HA GLU A 60 -5.988 -5.266 17.017 1.00 72.10 H new ATOM 0 HB2 GLU A 60 -5.847 -2.458 15.888 1.00 62.24 H new ATOM 0 HB3 GLU A 60 -7.173 -3.003 16.897 1.00 62.24 H new ATOM 0 HG2 GLU A 60 -5.719 -2.100 18.499 1.00 24.51 H new ATOM 0 HG3 GLU A 60 -5.277 -3.795 18.552 1.00 24.51 H new ATOM 899 N GLU A 61 -8.207 -5.207 15.697 1.00 63.54 N ATOM 900 CA GLU A 61 -9.341 -5.581 14.868 1.00 3.43 C ATOM 901 C GLU A 61 -9.556 -4.543 13.765 1.00 53.12 C ATOM 902 O GLU A 61 -10.125 -4.853 12.719 1.00 12.42 O ATOM 903 CB GLU A 61 -10.604 -5.752 15.714 1.00 73.43 C ATOM 904 CG GLU A 61 -11.744 -6.345 14.882 1.00 10.43 C ATOM 905 CD GLU A 61 -13.024 -6.464 15.712 1.00 2.54 C ATOM 906 OE1 GLU A 61 -13.998 -5.740 15.457 1.00 61.11 O ATOM 907 OE2 GLU A 61 -12.984 -7.347 16.652 1.00 51.32 O ATOM 0 H GLU A 61 -8.411 -5.138 16.694 1.00 63.54 H new ATOM 0 HA GLU A 61 -9.124 -6.541 14.399 1.00 3.43 H new ATOM 0 HB2 GLU A 61 -10.392 -6.402 16.563 1.00 73.43 H new ATOM 0 HB3 GLU A 61 -10.908 -4.787 16.119 1.00 73.43 H new ATOM 0 HG2 GLU A 61 -11.928 -5.716 14.011 1.00 10.43 H new ATOM 0 HG3 GLU A 61 -11.455 -7.328 14.510 1.00 10.43 H new ATOM 915 N GLU A 62 -9.090 -3.333 14.036 1.00 53.44 N ATOM 916 CA GLU A 62 -9.225 -2.247 13.079 1.00 60.43 C ATOM 917 C GLU A 62 -8.163 -2.370 11.984 1.00 4.34 C ATOM 918 O GLU A 62 -8.355 -1.885 10.870 1.00 32.04 O ATOM 919 CB GLU A 62 -9.140 -0.888 13.776 1.00 72.13 C ATOM 920 CG GLU A 62 -10.049 -0.845 15.006 1.00 52.14 C ATOM 921 CD GLU A 62 -9.972 0.518 15.697 1.00 61.02 C ATOM 922 OE1 GLU A 62 -10.172 1.555 15.047 1.00 73.10 O ATOM 923 OE2 GLU A 62 -9.693 0.476 16.956 1.00 74.23 O ATOM 0 H GLU A 62 -8.618 -3.080 14.904 1.00 53.44 H new ATOM 0 HA GLU A 62 -10.208 -2.318 12.614 1.00 60.43 H new ATOM 0 HB2 GLU A 62 -8.110 -0.692 14.074 1.00 72.13 H new ATOM 0 HB3 GLU A 62 -9.426 -0.100 13.080 1.00 72.13 H new ATOM 0 HG2 GLU A 62 -11.078 -1.049 14.710 1.00 52.14 H new ATOM 0 HG3 GLU A 62 -9.758 -1.628 15.706 1.00 52.14 H new ATOM 931 N GLU A 63 -7.065 -3.020 12.340 1.00 24.12 N ATOM 932 CA GLU A 63 -5.971 -3.212 11.402 1.00 35.23 C ATOM 933 C GLU A 63 -6.212 -4.464 10.556 1.00 51.21 C ATOM 934 O GLU A 63 -5.722 -4.561 9.432 1.00 52.22 O ATOM 935 CB GLU A 63 -4.630 -3.294 12.133 1.00 21.23 C ATOM 936 CG GLU A 63 -4.329 -1.990 12.875 1.00 20.30 C ATOM 937 CD GLU A 63 -2.821 -1.767 13.001 1.00 44.44 C ATOM 938 OE1 GLU A 63 -2.327 -1.858 14.145 1.00 2.23 O ATOM 939 OE2 GLU A 63 -2.195 -1.510 11.949 1.00 15.51 O ATOM 0 H GLU A 63 -6.909 -3.421 13.265 1.00 24.12 H new ATOM 0 HA GLU A 63 -5.932 -2.349 10.737 1.00 35.23 H new ATOM 0 HB2 GLU A 63 -4.647 -4.123 12.840 1.00 21.23 H new ATOM 0 HB3 GLU A 63 -3.834 -3.502 11.418 1.00 21.23 H new ATOM 0 HG2 GLU A 63 -4.781 -1.152 12.344 1.00 20.30 H new ATOM 0 HG3 GLU A 63 -4.780 -2.019 13.867 1.00 20.30 H new ATOM 946 N LEU A 64 -6.966 -5.390 11.128 1.00 34.43 N ATOM 947 CA LEU A 64 -7.278 -6.632 10.440 1.00 0.24 C ATOM 948 C LEU A 64 -7.906 -6.313 9.082 1.00 61.40 C ATOM 949 O LEU A 64 -7.474 -6.837 8.056 1.00 30.43 O ATOM 950 CB LEU A 64 -8.146 -7.531 11.324 1.00 41.45 C ATOM 951 CG LEU A 64 -7.394 -8.507 12.230 1.00 72.50 C ATOM 952 CD1 LEU A 64 -8.338 -9.142 13.254 1.00 64.24 C ATOM 953 CD2 LEU A 64 -6.652 -9.560 11.405 1.00 65.41 C ATOM 0 H LEU A 64 -7.371 -5.306 12.061 1.00 34.43 H new ATOM 0 HA LEU A 64 -6.368 -7.199 10.245 1.00 0.24 H new ATOM 0 HB2 LEU A 64 -8.773 -6.896 11.949 1.00 41.45 H new ATOM 0 HB3 LEU A 64 -8.814 -8.104 10.681 1.00 41.45 H new ATOM 0 HG LEU A 64 -6.643 -7.947 12.787 1.00 72.50 H new ATOM 0 HD11 LEU A 64 -7.779 -9.832 13.886 1.00 64.24 H new ATOM 0 HD12 LEU A 64 -8.782 -8.362 13.873 1.00 64.24 H new ATOM 0 HD13 LEU A 64 -9.127 -9.685 12.734 1.00 64.24 H new ATOM 0 HD21 LEU A 64 -6.126 -10.241 12.073 1.00 65.41 H new ATOM 0 HD22 LEU A 64 -7.367 -10.122 10.804 1.00 65.41 H new ATOM 0 HD23 LEU A 64 -5.934 -9.068 10.749 1.00 65.41 H new ATOM 965 N LYS A 65 -8.915 -5.456 9.119 1.00 52.11 N ATOM 966 CA LYS A 65 -9.607 -5.061 7.903 1.00 21.44 C ATOM 967 C LYS A 65 -8.614 -4.393 6.951 1.00 42.32 C ATOM 968 O LYS A 65 -8.894 -4.240 5.763 1.00 53.10 O ATOM 969 CB LYS A 65 -10.821 -4.192 8.236 1.00 2.41 C ATOM 970 CG LYS A 65 -10.391 -2.774 8.619 1.00 52.24 C ATOM 971 CD LYS A 65 -11.593 -1.828 8.656 1.00 33.03 C ATOM 972 CE LYS A 65 -12.304 -1.899 10.009 1.00 13.32 C ATOM 973 NZ LYS A 65 -11.671 -0.974 10.976 1.00 33.12 N ATOM 0 H LYS A 65 -9.271 -5.024 9.972 1.00 52.11 H new ATOM 0 HA LYS A 65 -10.003 -5.936 7.388 1.00 21.44 H new ATOM 0 HB2 LYS A 65 -11.492 -4.153 7.378 1.00 2.41 H new ATOM 0 HB3 LYS A 65 -11.380 -4.641 9.057 1.00 2.41 H new ATOM 0 HG2 LYS A 65 -9.905 -2.789 9.594 1.00 52.24 H new ATOM 0 HG3 LYS A 65 -9.656 -2.407 7.902 1.00 52.24 H new ATOM 0 HD2 LYS A 65 -11.263 -0.807 8.468 1.00 33.03 H new ATOM 0 HD3 LYS A 65 -12.291 -2.089 7.860 1.00 33.03 H new ATOM 0 HE2 LYS A 65 -13.357 -1.643 9.887 1.00 13.32 H new ATOM 0 HE3 LYS A 65 -12.266 -2.918 10.393 1.00 13.32 H new ATOM 0 HZ1 LYS A 65 -11.986 -1.210 11.939 1.00 33.12 H new ATOM 0 HZ2 LYS A 65 -10.637 -1.065 10.918 1.00 33.12 H new ATOM 0 HZ3 LYS A 65 -11.945 0.004 10.752 1.00 33.12 H new ATOM 986 N LEU A 66 -7.473 -4.012 7.508 1.00 74.15 N ATOM 987 CA LEU A 66 -6.437 -3.363 6.722 1.00 31.33 C ATOM 988 C LEU A 66 -5.459 -4.420 6.205 1.00 4.21 C ATOM 989 O LEU A 66 -4.288 -4.124 5.968 1.00 55.02 O ATOM 990 CB LEU A 66 -5.769 -2.250 7.532 1.00 21.41 C ATOM 991 CG LEU A 66 -6.712 -1.238 8.187 1.00 62.55 C ATOM 992 CD1 LEU A 66 -5.925 -0.142 8.907 1.00 63.02 C ATOM 993 CD2 LEU A 66 -7.693 -0.662 7.164 1.00 61.13 C ATOM 0 H LEU A 66 -7.244 -4.140 8.494 1.00 74.15 H new ATOM 0 HA LEU A 66 -6.870 -2.874 5.849 1.00 31.33 H new ATOM 0 HB2 LEU A 66 -5.163 -2.710 8.313 1.00 21.41 H new ATOM 0 HB3 LEU A 66 -5.087 -1.709 6.876 1.00 21.41 H new ATOM 0 HG LEU A 66 -7.302 -1.759 8.941 1.00 62.55 H new ATOM 0 HD11 LEU A 66 -6.619 0.564 9.364 1.00 63.02 H new ATOM 0 HD12 LEU A 66 -5.302 -0.590 9.681 1.00 63.02 H new ATOM 0 HD13 LEU A 66 -5.293 0.383 8.190 1.00 63.02 H new ATOM 0 HD21 LEU A 66 -8.352 0.054 7.655 1.00 61.13 H new ATOM 0 HD22 LEU A 66 -7.139 -0.161 6.371 1.00 61.13 H new ATOM 0 HD23 LEU A 66 -8.288 -1.469 6.737 1.00 61.13 H new ATOM 1005 N PHE A 67 -5.974 -5.630 6.046 1.00 40.15 N ATOM 1006 CA PHE A 67 -5.160 -6.732 5.561 1.00 53.23 C ATOM 1007 C PHE A 67 -5.037 -6.693 4.036 1.00 5.22 C ATOM 1008 O PHE A 67 -4.499 -7.618 3.430 1.00 73.24 O ATOM 1009 CB PHE A 67 -5.869 -8.025 5.970 1.00 3.41 C ATOM 1010 CG PHE A 67 -5.195 -9.295 5.448 1.00 74.43 C ATOM 1011 CD1 PHE A 67 -3.934 -9.610 5.847 1.00 43.44 C ATOM 1012 CD2 PHE A 67 -5.858 -10.111 4.584 1.00 14.44 C ATOM 1013 CE1 PHE A 67 -3.309 -10.789 5.362 1.00 42.22 C ATOM 1014 CE2 PHE A 67 -5.233 -11.290 4.100 1.00 55.15 C ATOM 1015 CZ PHE A 67 -3.972 -11.604 4.498 1.00 22.15 C ATOM 0 H PHE A 67 -6.945 -5.872 6.244 1.00 40.15 H new ATOM 0 HA PHE A 67 -4.157 -6.667 5.982 1.00 53.23 H new ATOM 0 HB2 PHE A 67 -5.917 -8.072 7.058 1.00 3.41 H new ATOM 0 HB3 PHE A 67 -6.896 -7.995 5.606 1.00 3.41 H new ATOM 0 HD1 PHE A 67 -3.408 -8.963 6.533 1.00 43.44 H new ATOM 0 HD2 PHE A 67 -6.860 -9.862 4.267 1.00 14.44 H new ATOM 0 HE1 PHE A 67 -2.307 -11.039 5.679 1.00 42.22 H new ATOM 0 HE2 PHE A 67 -5.760 -11.938 3.415 1.00 55.15 H new ATOM 0 HZ PHE A 67 -3.496 -12.500 4.128 1.00 22.15 H new ATOM 1025 N LEU A 68 -5.543 -5.612 3.461 1.00 44.02 N ATOM 1026 CA LEU A 68 -5.496 -5.440 2.019 1.00 65.23 C ATOM 1027 C LEU A 68 -4.678 -4.191 1.685 1.00 43.12 C ATOM 1028 O LEU A 68 -4.387 -3.928 0.519 1.00 74.12 O ATOM 1029 CB LEU A 68 -6.910 -5.424 1.435 1.00 45.14 C ATOM 1030 CG LEU A 68 -7.605 -6.782 1.324 1.00 71.24 C ATOM 1031 CD1 LEU A 68 -8.901 -6.670 0.518 1.00 31.24 C ATOM 1032 CD2 LEU A 68 -6.660 -7.837 0.744 1.00 3.54 C ATOM 0 H LEU A 68 -5.988 -4.846 3.968 1.00 44.02 H new ATOM 0 HA LEU A 68 -4.992 -6.286 1.551 1.00 65.23 H new ATOM 0 HB2 LEU A 68 -7.529 -4.771 2.051 1.00 45.14 H new ATOM 0 HB3 LEU A 68 -6.866 -4.978 0.441 1.00 45.14 H new ATOM 0 HG LEU A 68 -7.876 -7.109 2.328 1.00 71.24 H new ATOM 0 HD11 LEU A 68 -9.375 -7.649 0.454 1.00 31.24 H new ATOM 0 HD12 LEU A 68 -9.577 -5.971 1.011 1.00 31.24 H new ATOM 0 HD13 LEU A 68 -8.675 -6.310 -0.486 1.00 31.24 H new ATOM 0 HD21 LEU A 68 -7.180 -8.793 0.676 1.00 3.54 H new ATOM 0 HD22 LEU A 68 -6.336 -7.528 -0.250 1.00 3.54 H new ATOM 0 HD23 LEU A 68 -5.790 -7.942 1.392 1.00 3.54 H new ATOM 1044 N GLN A 69 -4.329 -3.454 2.729 1.00 32.13 N ATOM 1045 CA GLN A 69 -3.551 -2.239 2.562 1.00 44.25 C ATOM 1046 C GLN A 69 -2.056 -2.546 2.677 1.00 11.32 C ATOM 1047 O GLN A 69 -1.225 -1.642 2.596 1.00 72.43 O ATOM 1048 CB GLN A 69 -3.972 -1.173 3.576 1.00 64.53 C ATOM 1049 CG GLN A 69 -5.212 -0.418 3.094 1.00 44.50 C ATOM 1050 CD GLN A 69 -5.918 0.276 4.260 1.00 12.23 C ATOM 1051 OE1 GLN A 69 -5.308 0.689 5.233 1.00 63.12 O ATOM 1052 NE2 GLN A 69 -7.235 0.381 4.109 1.00 14.35 N ATOM 0 H GLN A 69 -4.571 -3.675 3.695 1.00 32.13 H new ATOM 0 HA GLN A 69 -3.745 -1.841 1.566 1.00 44.25 H new ATOM 0 HB2 GLN A 69 -4.179 -1.642 4.538 1.00 64.53 H new ATOM 0 HB3 GLN A 69 -3.153 -0.471 3.733 1.00 64.53 H new ATOM 0 HG2 GLN A 69 -4.924 0.321 2.346 1.00 44.50 H new ATOM 0 HG3 GLN A 69 -5.899 -1.112 2.609 1.00 44.50 H new ATOM 0 HE21 GLN A 69 -7.683 0.014 3.269 1.00 14.35 H new ATOM 0 HE22 GLN A 69 -7.797 0.829 4.833 1.00 14.35 H new ATOM 1061 N ASN A 70 -1.760 -3.823 2.865 1.00 23.23 N ATOM 1062 CA ASN A 70 -0.380 -4.260 2.993 1.00 61.40 C ATOM 1063 C ASN A 70 0.221 -4.451 1.599 1.00 21.40 C ATOM 1064 O ASN A 70 1.340 -4.013 1.336 1.00 12.00 O ATOM 1065 CB ASN A 70 -0.292 -5.597 3.733 1.00 42.41 C ATOM 1066 CG ASN A 70 -0.847 -6.736 2.876 1.00 53.32 C ATOM 1067 OD1 ASN A 70 -2.162 -6.904 2.986 1.00 42.23 O flip ATOM 1068 ND2 ASN A 70 -0.130 -7.417 2.162 1.00 61.01 N flip ATOM 0 H ASN A 70 -2.452 -4.569 2.932 1.00 23.23 H new ATOM 0 HA ASN A 70 0.164 -3.500 3.555 1.00 61.40 H new ATOM 0 HB2 ASN A 70 0.746 -5.805 3.993 1.00 42.41 H new ATOM 0 HB3 ASN A 70 -0.849 -5.536 4.668 1.00 42.41 H new ATOM 0 HD21 ASN A 70 0.873 -7.235 2.124 1.00 61.01 H new ATOM 0 HD22 ASN A 70 -0.533 -8.169 1.603 1.00 61.01 H new ATOM 1075 N PHE A 71 -0.549 -5.106 0.742 1.00 24.43 N ATOM 1076 CA PHE A 71 -0.106 -5.361 -0.618 1.00 52.21 C ATOM 1077 C PHE A 71 -0.363 -4.148 -1.514 1.00 54.43 C ATOM 1078 O PHE A 71 -0.159 -4.212 -2.726 1.00 2.45 O ATOM 1079 CB PHE A 71 -0.921 -6.547 -1.139 1.00 2.50 C ATOM 1080 CG PHE A 71 -0.756 -7.825 -0.315 1.00 3.13 C ATOM 1081 CD1 PHE A 71 0.426 -8.499 -0.334 1.00 54.31 C ATOM 1082 CD2 PHE A 71 -1.790 -8.288 0.437 1.00 11.53 C ATOM 1083 CE1 PHE A 71 0.579 -9.685 0.431 1.00 72.11 C ATOM 1084 CE2 PHE A 71 -1.637 -9.474 1.202 1.00 21.12 C ATOM 1085 CZ PHE A 71 -0.456 -10.148 1.183 1.00 44.22 C ATOM 0 H PHE A 71 -1.477 -5.468 0.963 1.00 24.43 H new ATOM 0 HA PHE A 71 0.964 -5.567 -0.629 1.00 52.21 H new ATOM 0 HB2 PHE A 71 -1.975 -6.271 -1.155 1.00 2.50 H new ATOM 0 HB3 PHE A 71 -0.629 -6.751 -2.169 1.00 2.50 H new ATOM 0 HD1 PHE A 71 1.248 -8.132 -0.931 1.00 54.31 H new ATOM 0 HD2 PHE A 71 -2.728 -7.753 0.452 1.00 11.53 H new ATOM 0 HE1 PHE A 71 1.517 -10.220 0.416 1.00 72.11 H new ATOM 0 HE2 PHE A 71 -2.459 -9.841 1.799 1.00 21.12 H new ATOM 0 HZ PHE A 71 -0.340 -11.051 1.765 1.00 44.22 H new ATOM 1095 N LYS A 72 -0.808 -3.070 -0.884 1.00 72.42 N ATOM 1096 CA LYS A 72 -1.095 -1.844 -1.609 1.00 74.44 C ATOM 1097 C LYS A 72 -1.524 -0.760 -0.619 1.00 41.31 C ATOM 1098 O LYS A 72 -2.080 -1.062 0.436 1.00 40.34 O ATOM 1099 CB LYS A 72 -2.118 -2.104 -2.717 1.00 71.43 C ATOM 1100 CG LYS A 72 -1.887 -1.170 -3.907 1.00 32.21 C ATOM 1101 CD LYS A 72 -2.952 -0.073 -3.957 1.00 53.03 C ATOM 1102 CE LYS A 72 -3.264 0.323 -5.402 1.00 22.20 C ATOM 1103 NZ LYS A 72 -2.063 0.892 -6.054 1.00 12.33 N ATOM 0 H LYS A 72 -0.977 -3.021 0.121 1.00 72.42 H new ATOM 0 HA LYS A 72 -0.199 -1.480 -2.112 1.00 74.44 H new ATOM 0 HB2 LYS A 72 -2.048 -3.141 -3.045 1.00 71.43 H new ATOM 0 HB3 LYS A 72 -3.126 -1.960 -2.327 1.00 71.43 H new ATOM 0 HG2 LYS A 72 -0.898 -0.718 -3.833 1.00 32.21 H new ATOM 0 HG3 LYS A 72 -1.907 -1.744 -4.834 1.00 32.21 H new ATOM 0 HD2 LYS A 72 -3.861 -0.421 -3.467 1.00 53.03 H new ATOM 0 HD3 LYS A 72 -2.606 0.800 -3.403 1.00 53.03 H new ATOM 0 HE2 LYS A 72 -3.608 -0.549 -5.958 1.00 22.20 H new ATOM 0 HE3 LYS A 72 -4.074 1.052 -5.419 1.00 22.20 H new ATOM 0 HZ1 LYS A 72 -2.320 1.264 -6.991 1.00 12.33 H new ATOM 0 HZ2 LYS A 72 -1.682 1.662 -5.468 1.00 12.33 H new ATOM 0 HZ3 LYS A 72 -1.342 0.150 -6.162 1.00 12.33 H new ATOM 1116 N ALA A 73 -1.249 0.481 -0.994 1.00 22.00 N ATOM 1117 CA ALA A 73 -1.599 1.612 -0.152 1.00 2.21 C ATOM 1118 C ALA A 73 -2.846 2.295 -0.716 1.00 14.33 C ATOM 1119 O ALA A 73 -2.789 3.448 -1.141 1.00 64.15 O ATOM 1120 CB ALA A 73 -0.406 2.565 -0.055 1.00 42.21 C ATOM 0 H ALA A 73 -0.788 0.728 -1.870 1.00 22.00 H new ATOM 0 HA ALA A 73 -1.834 1.280 0.859 1.00 2.21 H new ATOM 0 HB1 ALA A 73 -0.669 3.414 0.577 1.00 42.21 H new ATOM 0 HB2 ALA A 73 0.445 2.040 0.378 1.00 42.21 H new ATOM 0 HB3 ALA A 73 -0.143 2.922 -1.051 1.00 42.21 H new ATOM 1126 N GLY A 74 -3.945 1.555 -0.700 1.00 52.33 N ATOM 1127 CA GLY A 74 -5.205 2.075 -1.205 1.00 2.23 C ATOM 1128 C GLY A 74 -6.304 1.013 -1.134 1.00 41.15 C ATOM 1129 O GLY A 74 -7.466 1.333 -0.890 1.00 33.31 O ATOM 0 H GLY A 74 -3.989 0.600 -0.345 1.00 52.33 H new ATOM 0 HA2 GLY A 74 -5.501 2.949 -0.624 1.00 2.23 H new ATOM 0 HA3 GLY A 74 -5.079 2.405 -2.236 1.00 2.23 H new ATOM 1133 N ALA A 75 -5.897 -0.229 -1.353 1.00 53.33 N ATOM 1134 CA ALA A 75 -6.833 -1.340 -1.318 1.00 10.20 C ATOM 1135 C ALA A 75 -7.827 -1.127 -0.175 1.00 33.44 C ATOM 1136 O ALA A 75 -7.446 -0.697 0.913 1.00 42.24 O ATOM 1137 CB ALA A 75 -6.061 -2.654 -1.183 1.00 2.34 C ATOM 0 H ALA A 75 -4.932 -0.490 -1.555 1.00 53.33 H new ATOM 0 HA ALA A 75 -7.403 -1.391 -2.245 1.00 10.20 H new ATOM 0 HB1 ALA A 75 -6.763 -3.487 -1.157 1.00 2.34 H new ATOM 0 HB2 ALA A 75 -5.390 -2.771 -2.034 1.00 2.34 H new ATOM 0 HB3 ALA A 75 -5.479 -2.641 -0.262 1.00 2.34 H new ATOM 1143 N ARG A 76 -9.083 -1.439 -0.459 1.00 70.34 N ATOM 1144 CA ARG A 76 -10.135 -1.288 0.531 1.00 0.05 C ATOM 1145 C ARG A 76 -9.798 -2.090 1.790 1.00 31.20 C ATOM 1146 O ARG A 76 -8.685 -2.595 1.929 1.00 73.41 O ATOM 1147 CB ARG A 76 -11.482 -1.759 -0.020 1.00 14.35 C ATOM 1148 CG ARG A 76 -11.466 -3.263 -0.296 1.00 71.44 C ATOM 1149 CD ARG A 76 -12.877 -3.851 -0.216 1.00 44.02 C ATOM 1150 NE ARG A 76 -12.852 -5.280 -0.601 1.00 52.22 N ATOM 1151 CZ ARG A 76 -13.754 -6.192 -0.181 1.00 21.41 C ATOM 1152 NH1 ARG A 76 -13.636 -7.443 -0.588 1.00 13.34 N ATOM 1153 NH2 ARG A 76 -14.761 -5.832 0.643 1.00 4.21 N ATOM 0 H ARG A 76 -9.396 -1.796 -1.362 1.00 70.34 H new ATOM 0 HA ARG A 76 -10.207 -0.229 0.779 1.00 0.05 H new ATOM 0 HB2 ARG A 76 -12.272 -1.525 0.693 1.00 14.35 H new ATOM 0 HB3 ARG A 76 -11.712 -1.220 -0.939 1.00 14.35 H new ATOM 0 HG2 ARG A 76 -11.046 -3.450 -1.284 1.00 71.44 H new ATOM 0 HG3 ARG A 76 -10.819 -3.762 0.426 1.00 71.44 H new ATOM 0 HD2 ARG A 76 -13.267 -3.745 0.796 1.00 44.02 H new ATOM 0 HD3 ARG A 76 -13.548 -3.300 -0.875 1.00 44.02 H new ATOM 0 HE ARG A 76 -12.107 -5.595 -1.222 1.00 52.22 H new ATOM 0 HH11 ARG A 76 -12.872 -7.707 -1.210 1.00 13.34 H new ATOM 0 HH12 ARG A 76 -14.309 -8.145 -0.280 1.00 13.34 H new ATOM 0 HH21 ARG A 76 -14.845 -4.864 0.953 1.00 4.21 H new ATOM 0 HH22 ARG A 76 -15.438 -6.528 0.955 1.00 4.21 H new ATOM 1166 N ALA A 77 -10.780 -2.182 2.675 1.00 62.10 N ATOM 1167 CA ALA A 77 -10.601 -2.914 3.917 1.00 33.23 C ATOM 1168 C ALA A 77 -11.729 -3.937 4.068 1.00 32.00 C ATOM 1169 O ALA A 77 -12.898 -3.612 3.866 1.00 50.24 O ATOM 1170 CB ALA A 77 -10.547 -1.930 5.087 1.00 10.51 C ATOM 0 H ALA A 77 -11.702 -1.762 2.556 1.00 62.10 H new ATOM 0 HA ALA A 77 -9.658 -3.461 3.907 1.00 33.23 H new ATOM 0 HB1 ALA A 77 -10.413 -2.480 6.019 1.00 10.51 H new ATOM 0 HB2 ALA A 77 -9.712 -1.244 4.947 1.00 10.51 H new ATOM 0 HB3 ALA A 77 -11.478 -1.365 5.130 1.00 10.51 H new ATOM 1176 N LEU A 78 -11.339 -5.153 4.422 1.00 10.42 N ATOM 1177 CA LEU A 78 -12.303 -6.225 4.602 1.00 23.14 C ATOM 1178 C LEU A 78 -13.547 -5.675 5.303 1.00 43.23 C ATOM 1179 O LEU A 78 -13.450 -4.759 6.118 1.00 13.11 O ATOM 1180 CB LEU A 78 -11.659 -7.407 5.331 1.00 52.14 C ATOM 1181 CG LEU A 78 -10.630 -8.208 4.531 1.00 44.44 C ATOM 1182 CD1 LEU A 78 -11.043 -8.320 3.062 1.00 53.10 C ATOM 1183 CD2 LEU A 78 -9.229 -7.612 4.688 1.00 53.53 C ATOM 0 H LEU A 78 -10.369 -5.419 4.589 1.00 10.42 H new ATOM 0 HA LEU A 78 -12.626 -6.613 3.636 1.00 23.14 H new ATOM 0 HB2 LEU A 78 -11.176 -7.032 6.234 1.00 52.14 H new ATOM 0 HB3 LEU A 78 -12.450 -8.086 5.651 1.00 52.14 H new ATOM 0 HG LEU A 78 -10.597 -9.220 4.934 1.00 44.44 H new ATOM 0 HD11 LEU A 78 -10.294 -8.894 2.516 1.00 53.10 H new ATOM 0 HD12 LEU A 78 -12.007 -8.823 2.993 1.00 53.10 H new ATOM 0 HD13 LEU A 78 -11.122 -7.323 2.629 1.00 53.10 H new ATOM 0 HD21 LEU A 78 -8.517 -8.200 4.109 1.00 53.53 H new ATOM 0 HD22 LEU A 78 -9.229 -6.584 4.327 1.00 53.53 H new ATOM 0 HD23 LEU A 78 -8.943 -7.627 5.740 1.00 53.53 H new ATOM 1195 N SER A 79 -14.686 -6.257 4.959 1.00 53.41 N ATOM 1196 CA SER A 79 -15.948 -5.836 5.544 1.00 1.14 C ATOM 1197 C SER A 79 -15.909 -6.025 7.062 1.00 11.22 C ATOM 1198 O SER A 79 -14.882 -6.412 7.617 1.00 30.31 O ATOM 1199 CB SER A 79 -17.121 -6.613 4.943 1.00 45.24 C ATOM 1200 OG SER A 79 -18.355 -6.294 5.579 1.00 0.21 O ATOM 0 H SER A 79 -14.762 -7.017 4.283 1.00 53.41 H new ATOM 0 HA SER A 79 -16.094 -4.780 5.318 1.00 1.14 H new ATOM 0 HB2 SER A 79 -17.194 -6.392 3.878 1.00 45.24 H new ATOM 0 HB3 SER A 79 -16.932 -7.683 5.034 1.00 45.24 H new ATOM 0 HG SER A 79 -19.079 -6.809 5.166 1.00 0.21 H new ATOM 1206 N ASP A 80 -17.041 -5.742 7.691 1.00 63.24 N ATOM 1207 CA ASP A 80 -17.149 -5.876 9.133 1.00 32.14 C ATOM 1208 C ASP A 80 -17.121 -7.359 9.507 1.00 31.51 C ATOM 1209 O ASP A 80 -16.665 -7.722 10.591 1.00 53.24 O ATOM 1210 CB ASP A 80 -18.464 -5.285 9.644 1.00 15.31 C ATOM 1211 CG ASP A 80 -18.435 -3.779 9.913 1.00 52.32 C ATOM 1212 OD1 ASP A 80 -17.433 -3.237 10.403 1.00 52.24 O ATOM 1213 OD2 ASP A 80 -19.513 -3.147 9.593 1.00 15.13 O ATOM 0 H ASP A 80 -17.891 -5.421 7.228 1.00 63.24 H new ATOM 0 HA ASP A 80 -16.313 -5.341 9.584 1.00 32.14 H new ATOM 0 HB2 ASP A 80 -19.246 -5.493 8.914 1.00 15.31 H new ATOM 0 HB3 ASP A 80 -18.742 -5.798 10.565 1.00 15.31 H new ATOM 1219 N ALA A 81 -17.614 -8.178 8.589 1.00 15.41 N ATOM 1220 CA ALA A 81 -17.652 -9.613 8.809 1.00 63.53 C ATOM 1221 C ALA A 81 -16.323 -10.228 8.363 1.00 12.20 C ATOM 1222 O ALA A 81 -15.702 -10.981 9.111 1.00 60.54 O ATOM 1223 CB ALA A 81 -18.849 -10.212 8.068 1.00 62.43 C ATOM 0 H ALA A 81 -17.990 -7.874 7.691 1.00 15.41 H new ATOM 0 HA ALA A 81 -17.780 -9.836 9.868 1.00 63.53 H new ATOM 0 HB1 ALA A 81 -18.877 -11.289 8.233 1.00 62.43 H new ATOM 0 HB2 ALA A 81 -19.770 -9.763 8.441 1.00 62.43 H new ATOM 0 HB3 ALA A 81 -18.754 -10.011 7.001 1.00 62.43 H new ATOM 1229 N GLU A 82 -15.927 -9.883 7.147 1.00 42.32 N ATOM 1230 CA GLU A 82 -14.683 -10.391 6.593 1.00 54.24 C ATOM 1231 C GLU A 82 -13.557 -10.273 7.621 1.00 23.31 C ATOM 1232 O GLU A 82 -12.786 -11.212 7.812 1.00 24.42 O ATOM 1233 CB GLU A 82 -14.322 -9.661 5.297 1.00 23.15 C ATOM 1234 CG GLU A 82 -15.229 -10.103 4.147 1.00 21.14 C ATOM 1235 CD GLU A 82 -15.396 -8.983 3.119 1.00 2.51 C ATOM 1236 OE1 GLU A 82 -16.510 -8.470 2.936 1.00 0.22 O ATOM 1237 OE2 GLU A 82 -14.316 -8.646 2.499 1.00 62.31 O ATOM 0 H GLU A 82 -16.445 -9.258 6.530 1.00 42.32 H new ATOM 0 HA GLU A 82 -14.819 -11.445 6.352 1.00 54.24 H new ATOM 0 HB2 GLU A 82 -14.414 -8.585 5.444 1.00 23.15 H new ATOM 0 HB3 GLU A 82 -13.281 -9.860 5.041 1.00 23.15 H new ATOM 0 HG2 GLU A 82 -14.807 -10.984 3.664 1.00 21.14 H new ATOM 0 HG3 GLU A 82 -16.205 -10.391 4.539 1.00 21.14 H new ATOM 1245 N THR A 83 -13.497 -9.112 8.256 1.00 32.23 N ATOM 1246 CA THR A 83 -12.478 -8.860 9.260 1.00 3.24 C ATOM 1247 C THR A 83 -12.720 -9.728 10.496 1.00 20.34 C ATOM 1248 O THR A 83 -11.781 -10.068 11.215 1.00 51.31 O ATOM 1249 CB THR A 83 -12.473 -7.360 9.563 1.00 70.11 C ATOM 1250 OG1 THR A 83 -11.896 -6.773 8.400 1.00 61.02 O ATOM 1251 CG2 THR A 83 -11.502 -6.992 10.687 1.00 70.32 C ATOM 0 H THR A 83 -14.138 -8.335 8.095 1.00 32.23 H new ATOM 0 HA THR A 83 -11.488 -9.136 8.896 1.00 3.24 H new ATOM 0 HB THR A 83 -13.479 -7.042 9.835 1.00 70.11 H new ATOM 0 HG1 THR A 83 -12.608 -6.479 7.794 1.00 61.02 H new ATOM 0 HG21 THR A 83 -11.538 -5.917 10.861 1.00 70.32 H new ATOM 0 HG22 THR A 83 -11.785 -7.517 11.599 1.00 70.32 H new ATOM 0 HG23 THR A 83 -10.490 -7.280 10.402 1.00 70.32 H new ATOM 1259 N LYS A 84 -13.985 -10.063 10.706 1.00 24.02 N ATOM 1260 CA LYS A 84 -14.362 -10.885 11.843 1.00 74.50 C ATOM 1261 C LYS A 84 -13.878 -12.319 11.613 1.00 13.44 C ATOM 1262 O LYS A 84 -13.307 -12.936 12.511 1.00 40.11 O ATOM 1263 CB LYS A 84 -15.866 -10.779 12.105 1.00 0.13 C ATOM 1264 CG LYS A 84 -16.167 -9.688 13.135 1.00 41.53 C ATOM 1265 CD LYS A 84 -17.525 -9.921 13.800 1.00 41.32 C ATOM 1266 CE LYS A 84 -17.616 -9.180 15.135 1.00 4.24 C ATOM 1267 NZ LYS A 84 -16.829 -9.884 16.173 1.00 40.31 N ATOM 0 H LYS A 84 -14.761 -9.780 10.108 1.00 24.02 H new ATOM 0 HA LYS A 84 -13.877 -10.526 12.751 1.00 74.50 H new ATOM 0 HB2 LYS A 84 -16.387 -10.558 11.173 1.00 0.13 H new ATOM 0 HB3 LYS A 84 -16.245 -11.736 12.463 1.00 0.13 H new ATOM 0 HG2 LYS A 84 -15.384 -9.673 13.894 1.00 41.53 H new ATOM 0 HG3 LYS A 84 -16.159 -8.712 12.649 1.00 41.53 H new ATOM 0 HD2 LYS A 84 -18.321 -9.583 13.137 1.00 41.32 H new ATOM 0 HD3 LYS A 84 -17.677 -10.988 13.961 1.00 41.32 H new ATOM 0 HE2 LYS A 84 -17.246 -8.161 15.018 1.00 4.24 H new ATOM 0 HE3 LYS A 84 -18.658 -9.107 15.447 1.00 4.24 H new ATOM 0 HZ1 LYS A 84 -17.109 -9.540 17.114 1.00 40.31 H new ATOM 0 HZ2 LYS A 84 -17.008 -10.907 16.110 1.00 40.31 H new ATOM 0 HZ3 LYS A 84 -15.816 -9.700 16.025 1.00 40.31 H new ATOM 1280 N ALA A 85 -14.125 -12.806 10.406 1.00 24.23 N ATOM 1281 CA ALA A 85 -13.721 -14.155 10.047 1.00 20.13 C ATOM 1282 C ALA A 85 -12.195 -14.257 10.099 1.00 33.13 C ATOM 1283 O ALA A 85 -11.652 -15.185 10.696 1.00 4.14 O ATOM 1284 CB ALA A 85 -14.282 -14.506 8.668 1.00 72.01 C ATOM 0 H ALA A 85 -14.600 -12.291 9.664 1.00 24.23 H new ATOM 0 HA ALA A 85 -14.124 -14.878 10.756 1.00 20.13 H new ATOM 0 HB1 ALA A 85 -13.979 -15.518 8.399 1.00 72.01 H new ATOM 0 HB2 ALA A 85 -15.370 -14.447 8.692 1.00 72.01 H new ATOM 0 HB3 ALA A 85 -13.897 -13.803 7.929 1.00 72.01 H new ATOM 1290 N PHE A 86 -11.548 -13.290 9.466 1.00 64.43 N ATOM 1291 CA PHE A 86 -10.095 -13.260 9.432 1.00 13.42 C ATOM 1292 C PHE A 86 -9.519 -13.053 10.834 1.00 23.44 C ATOM 1293 O PHE A 86 -8.324 -13.247 11.053 1.00 62.32 O ATOM 1294 CB PHE A 86 -9.693 -12.077 8.549 1.00 12.32 C ATOM 1295 CG PHE A 86 -8.213 -12.063 8.163 1.00 62.52 C ATOM 1296 CD1 PHE A 86 -7.532 -10.887 8.118 1.00 52.20 C ATOM 1297 CD2 PHE A 86 -7.578 -13.228 7.864 1.00 24.31 C ATOM 1298 CE1 PHE A 86 -6.158 -10.875 7.759 1.00 14.43 C ATOM 1299 CE2 PHE A 86 -6.204 -13.216 7.505 1.00 23.03 C ATOM 1300 CZ PHE A 86 -5.523 -12.039 7.460 1.00 31.45 C ATOM 0 H PHE A 86 -12.002 -12.522 8.973 1.00 64.43 H new ATOM 0 HA PHE A 86 -9.712 -14.205 9.046 1.00 13.42 H new ATOM 0 HB2 PHE A 86 -10.295 -12.094 7.640 1.00 12.32 H new ATOM 0 HB3 PHE A 86 -9.930 -11.150 9.071 1.00 12.32 H new ATOM 0 HD1 PHE A 86 -8.036 -9.962 8.355 1.00 52.20 H new ATOM 0 HD2 PHE A 86 -8.119 -14.162 7.900 1.00 24.31 H new ATOM 0 HE1 PHE A 86 -5.617 -9.941 7.724 1.00 14.43 H new ATOM 0 HE2 PHE A 86 -5.700 -14.141 7.268 1.00 23.03 H new ATOM 0 HZ PHE A 86 -4.478 -12.030 7.187 1.00 31.45 H new ATOM 1310 N LEU A 87 -10.395 -12.663 11.748 1.00 1.22 N ATOM 1311 CA LEU A 87 -9.988 -12.428 13.123 1.00 22.12 C ATOM 1312 C LEU A 87 -9.988 -13.755 13.884 1.00 32.43 C ATOM 1313 O LEU A 87 -8.941 -14.217 14.334 1.00 22.42 O ATOM 1314 CB LEU A 87 -10.864 -11.351 13.765 1.00 15.11 C ATOM 1315 CG LEU A 87 -10.674 -11.139 15.268 1.00 32.24 C ATOM 1316 CD1 LEU A 87 -9.241 -10.705 15.584 1.00 74.41 C ATOM 1317 CD2 LEU A 87 -11.706 -10.152 15.818 1.00 30.20 C ATOM 0 H LEU A 87 -11.385 -12.504 11.563 1.00 1.22 H new ATOM 0 HA LEU A 87 -8.970 -12.040 13.158 1.00 22.12 H new ATOM 0 HB2 LEU A 87 -10.673 -10.405 13.258 1.00 15.11 H new ATOM 0 HB3 LEU A 87 -11.908 -11.604 13.583 1.00 15.11 H new ATOM 0 HG LEU A 87 -10.840 -12.092 15.770 1.00 32.24 H new ATOM 0 HD11 LEU A 87 -9.133 -10.561 16.659 1.00 74.41 H new ATOM 0 HD12 LEU A 87 -8.546 -11.475 15.249 1.00 74.41 H new ATOM 0 HD13 LEU A 87 -9.022 -9.770 15.069 1.00 74.41 H new ATOM 0 HD21 LEU A 87 -11.548 -10.020 16.888 1.00 30.20 H new ATOM 0 HD22 LEU A 87 -11.596 -9.192 15.313 1.00 30.20 H new ATOM 0 HD23 LEU A 87 -12.710 -10.540 15.644 1.00 30.20 H new ATOM 1329 N LYS A 88 -11.175 -14.331 14.005 1.00 73.42 N ATOM 1330 CA LYS A 88 -11.326 -15.596 14.704 1.00 61.44 C ATOM 1331 C LYS A 88 -10.504 -16.670 13.988 1.00 74.53 C ATOM 1332 O LYS A 88 -10.129 -17.675 14.591 1.00 55.13 O ATOM 1333 CB LYS A 88 -12.806 -15.953 14.854 1.00 52.32 C ATOM 1334 CG LYS A 88 -13.298 -15.667 16.274 1.00 3.52 C ATOM 1335 CD LYS A 88 -13.577 -16.967 17.030 1.00 33.11 C ATOM 1336 CE LYS A 88 -14.687 -16.772 18.065 1.00 1.12 C ATOM 1337 NZ LYS A 88 -15.943 -17.406 17.605 1.00 45.23 N ATOM 0 H LYS A 88 -12.042 -13.945 13.631 1.00 73.42 H new ATOM 0 HA LYS A 88 -10.937 -15.519 15.719 1.00 61.44 H new ATOM 0 HB2 LYS A 88 -13.396 -15.380 14.139 1.00 52.32 H new ATOM 0 HB3 LYS A 88 -12.955 -17.007 14.619 1.00 52.32 H new ATOM 0 HG2 LYS A 88 -12.550 -15.083 16.811 1.00 3.52 H new ATOM 0 HG3 LYS A 88 -14.205 -15.064 16.234 1.00 3.52 H new ATOM 0 HD2 LYS A 88 -13.865 -17.747 16.325 1.00 33.11 H new ATOM 0 HD3 LYS A 88 -12.668 -17.306 17.526 1.00 33.11 H new ATOM 0 HE2 LYS A 88 -14.383 -17.204 19.019 1.00 1.12 H new ATOM 0 HE3 LYS A 88 -14.851 -15.708 18.235 1.00 1.12 H new ATOM 0 HZ1 LYS A 88 -16.685 -17.264 18.319 1.00 45.23 H new ATOM 0 HZ2 LYS A 88 -16.240 -16.975 16.706 1.00 45.23 H new ATOM 0 HZ3 LYS A 88 -15.787 -18.425 17.466 1.00 45.23 H new ATOM 1350 N ALA A 89 -10.249 -16.422 12.712 1.00 62.03 N ATOM 1351 CA ALA A 89 -9.479 -17.355 11.907 1.00 24.32 C ATOM 1352 C ALA A 89 -8.026 -17.358 12.387 1.00 1.34 C ATOM 1353 O ALA A 89 -7.329 -18.364 12.264 1.00 51.23 O ATOM 1354 CB ALA A 89 -9.604 -16.980 10.429 1.00 5.44 C ATOM 0 H ALA A 89 -10.562 -15.588 12.215 1.00 62.03 H new ATOM 0 HA ALA A 89 -9.866 -18.368 12.020 1.00 24.32 H new ATOM 0 HB1 ALA A 89 -9.026 -17.680 9.826 1.00 5.44 H new ATOM 0 HB2 ALA A 89 -10.651 -17.022 10.130 1.00 5.44 H new ATOM 0 HB3 ALA A 89 -9.224 -15.970 10.276 1.00 5.44 H new ATOM 1360 N GLY A 90 -7.612 -16.220 12.925 1.00 11.23 N ATOM 1361 CA GLY A 90 -6.255 -16.078 13.425 1.00 40.13 C ATOM 1362 C GLY A 90 -6.241 -15.969 14.951 1.00 42.33 C ATOM 1363 O GLY A 90 -5.794 -16.886 15.638 1.00 3.41 O ATOM 0 H GLY A 90 -8.193 -15.387 13.026 1.00 11.23 H new ATOM 0 HA2 GLY A 90 -5.657 -16.934 13.113 1.00 40.13 H new ATOM 0 HA3 GLY A 90 -5.794 -15.191 12.989 1.00 40.13 H new ATOM 1367 N ASP A 91 -6.736 -14.840 15.436 1.00 44.51 N ATOM 1368 CA ASP A 91 -6.785 -14.599 16.868 1.00 55.40 C ATOM 1369 C ASP A 91 -7.391 -15.819 17.565 1.00 4.42 C ATOM 1370 O ASP A 91 -8.532 -16.189 17.297 1.00 55.34 O ATOM 1371 CB ASP A 91 -7.661 -13.386 17.192 1.00 24.33 C ATOM 1372 CG ASP A 91 -7.219 -12.579 18.414 1.00 12.55 C ATOM 1373 OD1 ASP A 91 -6.031 -12.554 18.769 1.00 71.13 O ATOM 1374 OD2 ASP A 91 -8.166 -11.947 19.021 1.00 11.24 O ATOM 0 H ASP A 91 -7.107 -14.082 14.863 1.00 44.51 H new ATOM 0 HA ASP A 91 -5.768 -14.413 17.214 1.00 55.40 H new ATOM 0 HB2 ASP A 91 -7.676 -12.726 16.325 1.00 24.33 H new ATOM 0 HB3 ASP A 91 -8.684 -13.727 17.351 1.00 24.33 H new ATOM 1380 N SER A 92 -6.598 -16.410 18.447 1.00 12.22 N ATOM 1381 CA SER A 92 -7.041 -17.580 19.185 1.00 34.41 C ATOM 1382 C SER A 92 -7.478 -17.176 20.595 1.00 70.13 C ATOM 1383 O SER A 92 -7.824 -17.971 21.446 1.00 33.10 O ATOM 1384 CB SER A 92 -5.938 -18.638 19.254 1.00 32.21 C ATOM 1385 OG SER A 92 -6.043 -19.588 18.197 1.00 22.31 O ATOM 0 H SER A 92 -5.651 -16.100 18.667 1.00 12.22 H new ATOM 0 HA SER A 92 -7.891 -18.014 18.659 1.00 34.41 H new ATOM 0 HB2 SER A 92 -4.964 -18.150 19.208 1.00 32.21 H new ATOM 0 HB3 SER A 92 -5.991 -19.155 20.212 1.00 32.21 H new ATOM 0 HG SER A 92 -5.320 -20.245 18.275 1.00 22.31 H new ATOM 1391 N ASP A 93 -7.455 -15.894 20.832 1.00 11.32 N ATOM 1392 CA ASP A 93 -7.864 -15.372 22.167 1.00 61.12 C ATOM 1393 C ASP A 93 -8.993 -14.349 22.006 1.00 42.33 C ATOM 1394 O ASP A 93 -9.562 -13.954 23.022 1.00 23.34 O ATOM 1395 CB ASP A 93 -6.610 -14.704 22.732 1.00 41.14 C ATOM 1396 CG ASP A 93 -6.370 -13.376 22.012 1.00 3.32 C ATOM 1397 OD1 ASP A 93 -5.683 -12.536 22.572 1.00 62.51 O ATOM 1398 OD2 ASP A 93 -6.878 -13.218 20.914 1.00 4.30 O ATOM 0 H ASP A 93 -7.170 -15.184 20.158 1.00 11.32 H new ATOM 0 HA ASP A 93 -8.236 -16.158 22.824 1.00 61.12 H new ATOM 0 HB2 ASP A 93 -6.727 -14.534 23.802 1.00 41.14 H new ATOM 0 HB3 ASP A 93 -5.748 -15.359 22.606 1.00 41.14 H new ATOM 1403 N GLY A 94 -9.285 -13.946 20.778 1.00 74.02 N ATOM 1404 CA GLY A 94 -10.339 -12.974 20.540 1.00 1.22 C ATOM 1405 C GLY A 94 -10.274 -11.835 21.560 1.00 41.34 C ATOM 1406 O GLY A 94 -11.201 -11.647 22.346 1.00 41.11 O ATOM 0 H GLY A 94 -8.810 -14.275 19.937 1.00 74.02 H new ATOM 0 HA2 GLY A 94 -10.245 -12.570 19.532 1.00 1.22 H new ATOM 0 HA3 GLY A 94 -11.311 -13.464 20.598 1.00 1.22 H new ATOM 1410 N ASP A 95 -9.170 -11.104 21.513 1.00 43.00 N ATOM 1411 CA ASP A 95 -8.972 -9.988 22.423 1.00 64.43 C ATOM 1412 C ASP A 95 -9.224 -8.677 21.677 1.00 41.43 C ATOM 1413 O ASP A 95 -9.528 -7.657 22.293 1.00 53.51 O ATOM 1414 CB ASP A 95 -7.538 -9.961 22.956 1.00 0.41 C ATOM 1415 CG ASP A 95 -6.450 -10.140 21.896 1.00 62.13 C ATOM 1416 OD1 ASP A 95 -5.252 -10.188 22.212 1.00 43.23 O ATOM 1417 OD2 ASP A 95 -6.880 -10.234 20.683 1.00 13.12 O ATOM 0 H ASP A 95 -8.403 -11.262 20.859 1.00 43.00 H new ATOM 0 HA ASP A 95 -9.665 -10.105 23.256 1.00 64.43 H new ATOM 0 HB2 ASP A 95 -7.374 -9.012 23.466 1.00 0.41 H new ATOM 0 HB3 ASP A 95 -7.429 -10.747 23.703 1.00 0.41 H new ATOM 1423 N GLY A 96 -9.088 -8.746 20.361 1.00 51.14 N ATOM 1424 CA GLY A 96 -9.298 -7.576 19.524 1.00 64.40 C ATOM 1425 C GLY A 96 -8.024 -7.217 18.756 1.00 53.33 C ATOM 1426 O GLY A 96 -7.974 -6.193 18.075 1.00 70.41 O ATOM 0 H GLY A 96 -8.835 -9.594 19.853 1.00 51.14 H new ATOM 0 HA2 GLY A 96 -10.109 -7.768 18.821 1.00 64.40 H new ATOM 0 HA3 GLY A 96 -9.605 -6.732 20.142 1.00 64.40 H new ATOM 1430 N LYS A 97 -7.027 -8.078 18.891 1.00 43.04 N ATOM 1431 CA LYS A 97 -5.757 -7.864 18.218 1.00 42.24 C ATOM 1432 C LYS A 97 -5.187 -9.212 17.772 1.00 52.03 C ATOM 1433 O LYS A 97 -5.504 -10.247 18.355 1.00 23.44 O ATOM 1434 CB LYS A 97 -4.808 -7.059 19.108 1.00 64.31 C ATOM 1435 CG LYS A 97 -5.568 -5.990 19.895 1.00 71.02 C ATOM 1436 CD LYS A 97 -4.601 -5.032 20.594 1.00 73.31 C ATOM 1437 CE LYS A 97 -3.843 -5.742 21.717 1.00 64.10 C ATOM 1438 NZ LYS A 97 -2.596 -5.013 22.042 1.00 70.34 N ATOM 0 H LYS A 97 -7.072 -8.926 19.457 1.00 43.04 H new ATOM 0 HA LYS A 97 -5.899 -7.265 17.319 1.00 42.24 H new ATOM 0 HB2 LYS A 97 -4.296 -7.729 19.799 1.00 64.31 H new ATOM 0 HB3 LYS A 97 -4.041 -6.587 18.494 1.00 64.31 H new ATOM 0 HG2 LYS A 97 -6.217 -5.430 19.221 1.00 71.02 H new ATOM 0 HG3 LYS A 97 -6.211 -6.467 20.635 1.00 71.02 H new ATOM 0 HD2 LYS A 97 -3.893 -4.631 19.869 1.00 73.31 H new ATOM 0 HD3 LYS A 97 -5.153 -4.185 21.002 1.00 73.31 H new ATOM 0 HE2 LYS A 97 -4.474 -5.809 22.604 1.00 64.10 H new ATOM 0 HE3 LYS A 97 -3.607 -6.763 21.416 1.00 64.10 H new ATOM 0 HZ1 LYS A 97 -2.093 -5.508 22.806 1.00 70.34 H new ATOM 0 HZ2 LYS A 97 -1.989 -4.971 21.199 1.00 70.34 H new ATOM 0 HZ3 LYS A 97 -2.829 -4.047 22.350 1.00 70.34 H new ATOM 1451 N ILE A 98 -4.357 -9.156 16.741 1.00 43.41 N ATOM 1452 CA ILE A 98 -3.740 -10.359 16.210 1.00 60.31 C ATOM 1453 C ILE A 98 -2.223 -10.166 16.150 1.00 34.54 C ATOM 1454 O ILE A 98 -1.717 -9.466 15.275 1.00 0.02 O ATOM 1455 CB ILE A 98 -4.366 -10.733 14.865 1.00 64.23 C ATOM 1456 CG1 ILE A 98 -5.687 -11.478 15.063 1.00 73.31 C ATOM 1457 CG2 ILE A 98 -3.382 -11.530 14.005 1.00 40.30 C ATOM 1458 CD1 ILE A 98 -6.077 -12.248 13.800 1.00 73.44 C ATOM 0 H ILE A 98 -4.097 -8.295 16.259 1.00 43.41 H new ATOM 0 HA ILE A 98 -3.928 -11.206 16.870 1.00 60.31 H new ATOM 0 HB ILE A 98 -4.593 -9.813 14.327 1.00 64.23 H new ATOM 0 HG12 ILE A 98 -5.597 -12.169 15.901 1.00 73.31 H new ATOM 0 HG13 ILE A 98 -6.474 -10.768 15.318 1.00 73.31 H new ATOM 0 HG21 ILE A 98 -3.852 -11.783 13.055 1.00 40.30 H new ATOM 0 HG22 ILE A 98 -2.491 -10.930 13.821 1.00 40.30 H new ATOM 0 HG23 ILE A 98 -3.102 -12.445 14.526 1.00 40.30 H new ATOM 0 HD11 ILE A 98 -7.020 -12.769 13.968 1.00 73.44 H new ATOM 0 HD12 ILE A 98 -6.190 -11.551 12.969 1.00 73.44 H new ATOM 0 HD13 ILE A 98 -5.299 -12.974 13.562 1.00 73.44 H new ATOM 1470 N GLY A 99 -1.541 -10.800 17.093 1.00 61.44 N ATOM 1471 CA GLY A 99 -0.092 -10.707 17.158 1.00 33.33 C ATOM 1472 C GLY A 99 0.559 -11.466 16.000 1.00 10.30 C ATOM 1473 O GLY A 99 -0.125 -11.894 15.071 1.00 5.23 O ATOM 0 H GLY A 99 -1.965 -11.380 17.818 1.00 61.44 H new ATOM 0 HA2 GLY A 99 0.210 -9.660 17.127 1.00 33.33 H new ATOM 0 HA3 GLY A 99 0.260 -11.113 18.107 1.00 33.33 H new ATOM 1477 N ILE A 100 1.873 -11.609 16.093 1.00 51.21 N ATOM 1478 CA ILE A 100 2.624 -12.308 15.064 1.00 21.13 C ATOM 1479 C ILE A 100 2.417 -13.816 15.224 1.00 42.43 C ATOM 1480 O ILE A 100 2.059 -14.501 14.267 1.00 34.14 O ATOM 1481 CB ILE A 100 4.094 -11.883 15.091 1.00 15.34 C ATOM 1482 CG1 ILE A 100 4.710 -11.952 13.693 1.00 63.02 C ATOM 1483 CG2 ILE A 100 4.885 -12.708 16.108 1.00 35.03 C ATOM 1484 CD1 ILE A 100 4.675 -13.381 13.148 1.00 35.31 C ATOM 0 H ILE A 100 2.437 -11.253 16.865 1.00 51.21 H new ATOM 0 HA ILE A 100 2.256 -12.038 14.074 1.00 21.13 H new ATOM 0 HB ILE A 100 4.143 -10.843 15.413 1.00 15.34 H new ATOM 0 HG12 ILE A 100 4.167 -11.289 13.019 1.00 63.02 H new ATOM 0 HG13 ILE A 100 5.740 -11.597 13.728 1.00 63.02 H new ATOM 0 HG21 ILE A 100 5.926 -12.386 16.107 1.00 35.03 H new ATOM 0 HG22 ILE A 100 4.461 -12.564 17.102 1.00 35.03 H new ATOM 0 HG23 ILE A 100 4.832 -13.763 15.841 1.00 35.03 H new ATOM 0 HD11 ILE A 100 5.119 -13.402 12.153 1.00 35.31 H new ATOM 0 HD12 ILE A 100 5.239 -14.037 13.811 1.00 35.31 H new ATOM 0 HD13 ILE A 100 3.642 -13.724 13.092 1.00 35.31 H new ATOM 1496 N ASP A 101 2.652 -14.288 16.439 1.00 1.52 N ATOM 1497 CA ASP A 101 2.496 -15.701 16.736 1.00 21.32 C ATOM 1498 C ASP A 101 1.124 -16.172 16.249 1.00 1.11 C ATOM 1499 O ASP A 101 0.954 -17.337 15.894 1.00 73.12 O ATOM 1500 CB ASP A 101 2.577 -15.960 18.242 1.00 65.12 C ATOM 1501 CG ASP A 101 2.124 -14.795 19.124 1.00 51.13 C ATOM 1502 OD1 ASP A 101 2.947 -14.103 19.741 1.00 42.23 O ATOM 1503 OD2 ASP A 101 0.848 -14.606 19.164 1.00 65.00 O ATOM 0 H ASP A 101 2.949 -13.716 17.230 1.00 1.52 H new ATOM 0 HA ASP A 101 3.298 -16.241 16.233 1.00 21.32 H new ATOM 0 HB2 ASP A 101 1.969 -16.833 18.478 1.00 65.12 H new ATOM 0 HB3 ASP A 101 3.607 -16.210 18.497 1.00 65.12 H new ATOM 1509 N GLU A 102 0.181 -15.242 16.248 1.00 11.52 N ATOM 1510 CA GLU A 102 -1.171 -15.546 15.811 1.00 63.54 C ATOM 1511 C GLU A 102 -1.286 -15.386 14.293 1.00 33.24 C ATOM 1512 O GLU A 102 -1.998 -16.145 13.638 1.00 72.51 O ATOM 1513 CB GLU A 102 -2.193 -14.668 16.534 1.00 2.52 C ATOM 1514 CG GLU A 102 -2.703 -15.352 17.804 1.00 52.20 C ATOM 1515 CD GLU A 102 -3.046 -14.322 18.882 1.00 53.31 C ATOM 1516 OE1 GLU A 102 -2.091 -13.714 19.410 1.00 4.44 O ATOM 1517 OE2 GLU A 102 -4.257 -14.165 19.153 1.00 65.50 O ATOM 0 H GLU A 102 0.326 -14.277 16.543 1.00 11.52 H new ATOM 0 HA GLU A 102 -1.389 -16.583 16.066 1.00 63.54 H new ATOM 0 HB2 GLU A 102 -1.739 -13.711 16.790 1.00 2.52 H new ATOM 0 HB3 GLU A 102 -3.031 -14.456 15.869 1.00 2.52 H new ATOM 0 HG2 GLU A 102 -3.586 -15.947 17.571 1.00 52.20 H new ATOM 0 HG3 GLU A 102 -1.945 -16.039 18.181 1.00 52.20 H new ATOM 1524 N PHE A 103 -0.576 -14.393 13.780 1.00 63.15 N ATOM 1525 CA PHE A 103 -0.590 -14.124 12.352 1.00 44.53 C ATOM 1526 C PHE A 103 0.053 -15.272 11.571 1.00 50.53 C ATOM 1527 O PHE A 103 -0.338 -15.553 10.439 1.00 55.30 O ATOM 1528 CB PHE A 103 0.229 -12.850 12.129 1.00 34.10 C ATOM 1529 CG PHE A 103 0.550 -12.566 10.660 1.00 11.24 C ATOM 1530 CD1 PHE A 103 -0.438 -12.174 9.812 1.00 71.14 C ATOM 1531 CD2 PHE A 103 1.823 -12.705 10.204 1.00 43.24 C ATOM 1532 CE1 PHE A 103 -0.140 -11.910 8.449 1.00 61.44 C ATOM 1533 CE2 PHE A 103 2.121 -12.441 8.841 1.00 65.05 C ATOM 1534 CZ PHE A 103 1.134 -12.049 7.992 1.00 75.42 C ATOM 0 H PHE A 103 0.013 -13.765 14.327 1.00 63.15 H new ATOM 0 HA PHE A 103 -1.617 -14.014 12.004 1.00 44.53 H new ATOM 0 HB2 PHE A 103 -0.318 -12.002 12.541 1.00 34.10 H new ATOM 0 HB3 PHE A 103 1.163 -12.928 12.686 1.00 34.10 H new ATOM 0 HD1 PHE A 103 -1.449 -12.063 10.175 1.00 71.14 H new ATOM 0 HD2 PHE A 103 2.607 -13.016 10.878 1.00 43.24 H new ATOM 0 HE1 PHE A 103 -0.925 -11.599 7.775 1.00 61.44 H new ATOM 0 HE2 PHE A 103 3.132 -12.552 8.478 1.00 65.05 H new ATOM 0 HZ PHE A 103 1.361 -11.848 6.955 1.00 75.42 H new ATOM 1544 N ALA A 104 1.029 -15.904 12.206 1.00 53.21 N ATOM 1545 CA ALA A 104 1.729 -17.015 11.585 1.00 44.13 C ATOM 1546 C ALA A 104 0.963 -18.311 11.855 1.00 14.03 C ATOM 1547 O ALA A 104 1.339 -19.373 11.363 1.00 72.43 O ATOM 1548 CB ALA A 104 3.167 -17.068 12.106 1.00 33.14 C ATOM 0 H ALA A 104 1.351 -15.668 13.144 1.00 53.21 H new ATOM 0 HA ALA A 104 1.778 -16.881 10.504 1.00 44.13 H new ATOM 0 HB1 ALA A 104 3.692 -17.902 11.640 1.00 33.14 H new ATOM 0 HB2 ALA A 104 3.677 -16.136 11.862 1.00 33.14 H new ATOM 0 HB3 ALA A 104 3.157 -17.204 13.187 1.00 33.14 H new ATOM 1554 N ALA A 105 -0.099 -18.181 12.638 1.00 43.34 N ATOM 1555 CA ALA A 105 -0.922 -19.328 12.980 1.00 63.44 C ATOM 1556 C ALA A 105 -1.969 -19.544 11.885 1.00 64.11 C ATOM 1557 O ALA A 105 -2.077 -20.637 11.331 1.00 30.24 O ATOM 1558 CB ALA A 105 -1.554 -19.112 14.356 1.00 4.41 C ATOM 0 H ALA A 105 -0.408 -17.298 13.045 1.00 43.34 H new ATOM 0 HA ALA A 105 -0.315 -20.231 13.039 1.00 63.44 H new ATOM 0 HB1 ALA A 105 -2.171 -19.973 14.612 1.00 4.41 H new ATOM 0 HB2 ALA A 105 -0.769 -18.994 15.103 1.00 4.41 H new ATOM 0 HB3 ALA A 105 -2.173 -18.215 14.335 1.00 4.41 H new ATOM 1564 N MET A 106 -2.713 -18.484 11.605 1.00 20.34 N ATOM 1565 CA MET A 106 -3.748 -18.544 10.587 1.00 45.02 C ATOM 1566 C MET A 106 -3.183 -19.062 9.262 1.00 15.30 C ATOM 1567 O MET A 106 -3.934 -19.513 8.398 1.00 43.42 O ATOM 1568 CB MET A 106 -4.341 -17.149 10.379 1.00 44.01 C ATOM 1569 CG MET A 106 -3.247 -16.133 10.041 1.00 32.24 C ATOM 1570 SD MET A 106 -3.792 -14.487 10.464 1.00 1.15 S ATOM 1571 CE MET A 106 -5.497 -14.581 9.944 1.00 43.04 C ATOM 0 H MET A 106 -2.620 -17.579 12.065 1.00 20.34 H new ATOM 0 HA MET A 106 -4.524 -19.231 10.924 1.00 45.02 H new ATOM 0 HB2 MET A 106 -5.076 -17.179 9.575 1.00 44.01 H new ATOM 0 HB3 MET A 106 -4.867 -16.836 11.280 1.00 44.01 H new ATOM 0 HG2 MET A 106 -2.334 -16.374 10.586 1.00 32.24 H new ATOM 0 HG3 MET A 106 -3.007 -16.184 8.979 1.00 32.24 H new ATOM 0 HE1 MET A 106 -5.895 -13.574 9.817 1.00 43.04 H new ATOM 0 HE2 MET A 106 -5.560 -15.118 8.997 1.00 43.04 H new ATOM 0 HE3 MET A 106 -6.079 -15.108 10.700 1.00 43.04 H new ATOM 1581 N ILE A 107 -1.866 -18.980 9.144 1.00 14.40 N ATOM 1582 CA ILE A 107 -1.193 -19.434 7.939 1.00 32.23 C ATOM 1583 C ILE A 107 -0.598 -20.822 8.186 1.00 72.04 C ATOM 1584 O ILE A 107 -0.711 -21.709 7.340 1.00 10.45 O ATOM 1585 CB ILE A 107 -0.167 -18.398 7.476 1.00 61.43 C ATOM 1586 CG1 ILE A 107 0.726 -17.954 8.636 1.00 14.42 C ATOM 1587 CG2 ILE A 107 -0.853 -17.213 6.794 1.00 75.43 C ATOM 1588 CD1 ILE A 107 1.891 -17.098 8.135 1.00 54.30 C ATOM 0 H ILE A 107 -1.247 -18.606 9.863 1.00 14.40 H new ATOM 0 HA ILE A 107 -1.904 -19.532 7.119 1.00 32.23 H new ATOM 0 HB ILE A 107 0.479 -18.866 6.733 1.00 61.43 H new ATOM 0 HG12 ILE A 107 0.137 -17.387 9.357 1.00 14.42 H new ATOM 0 HG13 ILE A 107 1.112 -18.829 9.158 1.00 14.42 H new ATOM 0 HG21 ILE A 107 -0.101 -16.492 6.475 1.00 75.43 H new ATOM 0 HG22 ILE A 107 -1.410 -17.565 5.926 1.00 75.43 H new ATOM 0 HG23 ILE A 107 -1.538 -16.736 7.495 1.00 75.43 H new ATOM 0 HD11 ILE A 107 2.510 -16.796 8.980 1.00 54.30 H new ATOM 0 HD12 ILE A 107 2.492 -17.676 7.433 1.00 54.30 H new ATOM 0 HD13 ILE A 107 1.502 -16.211 7.635 1.00 54.30 H new ATOM 1600 N LYS A 108 0.023 -20.967 9.347 1.00 35.01 N ATOM 1601 CA LYS A 108 0.636 -22.232 9.715 1.00 15.13 C ATOM 1602 C LYS A 108 -0.442 -23.317 9.777 1.00 4.23 C ATOM 1603 O LYS A 108 -0.141 -24.503 9.656 1.00 65.23 O ATOM 1604 CB LYS A 108 1.434 -22.083 11.012 1.00 32.10 C ATOM 1605 CG LYS A 108 2.064 -23.415 11.424 1.00 62.13 C ATOM 1606 CD LYS A 108 3.385 -23.191 12.163 1.00 31.21 C ATOM 1607 CE LYS A 108 4.326 -24.383 11.976 1.00 4.35 C ATOM 1608 NZ LYS A 108 5.502 -24.259 12.867 1.00 12.14 N ATOM 0 H LYS A 108 0.115 -20.229 10.045 1.00 35.01 H new ATOM 0 HA LYS A 108 1.357 -22.541 8.958 1.00 15.13 H new ATOM 0 HB2 LYS A 108 2.214 -21.333 10.879 1.00 32.10 H new ATOM 0 HB3 LYS A 108 0.780 -21.725 11.807 1.00 32.10 H new ATOM 0 HG2 LYS A 108 1.374 -23.965 12.064 1.00 62.13 H new ATOM 0 HG3 LYS A 108 2.237 -24.028 10.540 1.00 62.13 H new ATOM 0 HD2 LYS A 108 3.863 -22.284 11.794 1.00 31.21 H new ATOM 0 HD3 LYS A 108 3.191 -23.039 13.225 1.00 31.21 H new ATOM 0 HE2 LYS A 108 3.795 -25.310 12.191 1.00 4.35 H new ATOM 0 HE3 LYS A 108 4.653 -24.437 10.938 1.00 4.35 H new ATOM 0 HZ1 LYS A 108 6.131 -25.076 12.728 1.00 12.14 H new ATOM 0 HZ2 LYS A 108 6.017 -23.384 12.643 1.00 12.14 H new ATOM 0 HZ3 LYS A 108 5.186 -24.230 13.857 1.00 12.14 H new ATOM 1621 N GLY A 109 -1.675 -22.871 9.966 1.00 21.14 N ATOM 1622 CA GLY A 109 -2.798 -23.789 10.046 1.00 74.10 C ATOM 1623 C GLY A 109 -4.040 -23.195 9.378 1.00 32.10 C ATOM 1624 O GLY A 109 -3.935 -22.270 8.575 1.00 44.24 O ATOM 0 H GLY A 109 -1.921 -21.886 10.066 1.00 21.14 H new ATOM 0 HA2 GLY A 109 -2.537 -24.731 9.564 1.00 74.10 H new ATOM 0 HA3 GLY A 109 -3.015 -24.014 11.090 1.00 74.10 H new TER 1628 GLY A 109 HETATM 1629 CA CA A 201 0.213 -2.543 13.060 1.00 64.10 CA HETATM 1630 CA CA A 202 -3.779 -11.561 20.199 1.00 23.41 CA