USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 957 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 85 THR OG1 : rot 75:sc= 0.535 USER MOD Set 1.2: A 89 GLN : amide:sc= 0.609 K(o=1.1,f=-4.4!) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.101 (180deg=-0.505) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 164:sc= -0.377 (180deg=-0.608) USER MOD Single : A 10 SER OG : rot -150:sc= -0.015 USER MOD Single : A 11 SER OG : rot 180:sc= -0.247 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 82:sc= 0.712 USER MOD Single : A 22 LYS NZ :NH3+ 143:sc= 0.582 (180deg=0.072) USER MOD Single : A 24 LYS NZ :NH3+ 145:sc= 0.343 (180deg=-0.239) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 141:sc= -0.871 (180deg=-2.19!) USER MOD Single : A 40 LYS NZ :NH3+ -116:sc= 0.235 (180deg=-0.0384) USER MOD Single : A 45 LYS NZ :NH3+ 141:sc= 0.514 (180deg=-0.144) USER MOD Single : A 47 GLN : amide:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 156:sc= 0.074 (180deg=0.00402) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -2.25! C(o=-2.2!,f=-7.2!) USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= 0.41 (180deg=0.306) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -176:sc= 0.00126 (180deg=0.000803) USER MOD Single : A 71 LYS NZ :NH3+ -134:sc= -0.324 (180deg=-2.27!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 143:sc= -1.48! (180deg=-3.11!) USER MOD Single : A 78 GLN : amide:sc=-0.00754 X(o=-0.0075,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 168:sc= 0.271 (180deg=0.128) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.054) USER MOD Single : A 98 LYS NZ :NH3+ -178:sc= 0.389 (180deg=0.373) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 107 HIS : no HD1:sc= -0.504 X(o=-0.5,f=-0.61) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 109 HIS : no HD1:sc= -0.0234 X(o=-0.023,f=-0.0057) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.949 12.987 -16.984 1.00 72.23 N ATOM 2 CA MET A 1 3.700 14.388 -16.572 1.00 4.34 C ATOM 3 C MET A 1 4.457 14.671 -15.261 1.00 0.12 C ATOM 4 O MET A 1 5.528 15.289 -15.282 1.00 5.34 O ATOM 5 CB MET A 1 2.166 14.642 -16.436 1.00 44.10 C ATOM 6 CG MET A 1 1.766 16.095 -16.141 1.00 71.33 C ATOM 7 SD MET A 1 -0.023 16.311 -15.948 1.00 53.20 S ATOM 8 CE MET A 1 -0.636 15.757 -17.547 1.00 55.13 C ATOM 0 H1 MET A 1 3.440 12.790 -17.869 1.00 72.23 H new ATOM 0 H2 MET A 1 4.969 12.845 -17.132 1.00 72.23 H new ATOM 0 H3 MET A 1 3.613 12.342 -16.241 1.00 72.23 H new ATOM 0 HA MET A 1 4.071 15.077 -17.331 1.00 4.34 H new ATOM 0 HB2 MET A 1 1.679 14.329 -17.359 1.00 44.10 H new ATOM 0 HB3 MET A 1 1.778 14.007 -15.640 1.00 44.10 H new ATOM 0 HG2 MET A 1 2.267 16.426 -15.231 1.00 71.33 H new ATOM 0 HG3 MET A 1 2.119 16.735 -16.950 1.00 71.33 H new ATOM 0 HE1 MET A 1 -1.658 16.108 -17.686 1.00 55.13 H new ATOM 0 HE2 MET A 1 -0.003 16.159 -18.338 1.00 55.13 H new ATOM 0 HE3 MET A 1 -0.618 14.668 -17.586 1.00 55.13 H new ATOM 20 N GLY A 2 3.916 14.163 -14.137 1.00 31.04 N ATOM 21 CA GLY A 2 4.518 14.361 -12.819 1.00 54.34 C ATOM 22 C GLY A 2 3.641 13.791 -11.716 1.00 44.52 C ATOM 23 O GLY A 2 3.460 14.427 -10.672 1.00 42.32 O ATOM 0 H GLY A 2 3.059 13.611 -14.124 1.00 31.04 H new ATOM 0 HA2 GLY A 2 5.498 13.884 -12.790 1.00 54.34 H new ATOM 0 HA3 GLY A 2 4.676 15.425 -12.646 1.00 54.34 H new ATOM 27 N SER A 3 3.095 12.585 -11.958 1.00 42.55 N ATOM 28 CA SER A 3 2.192 11.902 -11.011 1.00 74.54 C ATOM 29 C SER A 3 2.986 11.176 -9.911 1.00 71.40 C ATOM 30 O SER A 3 4.216 11.058 -9.990 1.00 3.11 O ATOM 31 CB SER A 3 1.299 10.900 -11.781 1.00 25.11 C ATOM 32 OG SER A 3 0.526 11.567 -12.765 1.00 34.42 O ATOM 0 H SER A 3 3.266 12.057 -12.814 1.00 42.55 H new ATOM 0 HA SER A 3 1.564 12.650 -10.527 1.00 74.54 H new ATOM 0 HB2 SER A 3 1.921 10.141 -12.254 1.00 25.11 H new ATOM 0 HB3 SER A 3 0.640 10.383 -11.084 1.00 25.11 H new ATOM 0 HG SER A 3 -0.030 10.915 -13.241 1.00 34.42 H new ATOM 38 N LYS A 4 2.268 10.696 -8.887 1.00 43.02 N ATOM 39 CA LYS A 4 2.840 9.857 -7.831 1.00 22.41 C ATOM 40 C LYS A 4 1.746 8.944 -7.278 1.00 50.34 C ATOM 41 O LYS A 4 0.664 9.414 -6.918 1.00 41.40 O ATOM 42 CB LYS A 4 3.467 10.746 -6.701 1.00 42.23 C ATOM 43 CG LYS A 4 3.945 9.983 -5.433 1.00 75.01 C ATOM 44 CD LYS A 4 4.815 10.861 -4.498 1.00 53.42 C ATOM 45 CE LYS A 4 4.077 12.084 -3.922 1.00 52.52 C ATOM 46 NZ LYS A 4 3.039 11.706 -2.931 1.00 15.41 N ATOM 0 H LYS A 4 1.272 10.880 -8.769 1.00 43.02 H new ATOM 0 HA LYS A 4 3.641 9.242 -8.241 1.00 22.41 H new ATOM 0 HB2 LYS A 4 4.316 11.288 -7.119 1.00 42.23 H new ATOM 0 HB3 LYS A 4 2.731 11.491 -6.399 1.00 42.23 H new ATOM 0 HG2 LYS A 4 3.076 9.623 -4.882 1.00 75.01 H new ATOM 0 HG3 LYS A 4 4.516 9.106 -5.736 1.00 75.01 H new ATOM 0 HD2 LYS A 4 5.178 10.247 -3.674 1.00 53.42 H new ATOM 0 HD3 LYS A 4 5.690 11.204 -5.049 1.00 53.42 H new ATOM 0 HE2 LYS A 4 4.799 12.751 -3.451 1.00 52.52 H new ATOM 0 HE3 LYS A 4 3.612 12.641 -4.736 1.00 52.52 H new ATOM 0 HZ1 LYS A 4 2.763 12.544 -2.380 1.00 15.41 H new ATOM 0 HZ2 LYS A 4 2.207 11.329 -3.427 1.00 15.41 H new ATOM 0 HZ3 LYS A 4 3.419 10.980 -2.290 1.00 15.41 H new ATOM 60 N ILE A 5 2.037 7.639 -7.232 1.00 73.23 N ATOM 61 CA ILE A 5 1.213 6.645 -6.536 1.00 23.34 C ATOM 62 C ILE A 5 1.897 6.282 -5.217 1.00 64.41 C ATOM 63 O ILE A 5 3.117 6.472 -5.055 1.00 41.14 O ATOM 64 CB ILE A 5 0.978 5.333 -7.388 1.00 1.01 C ATOM 65 CG1 ILE A 5 2.332 4.614 -7.717 1.00 0.54 C ATOM 66 CG2 ILE A 5 0.168 5.649 -8.669 1.00 35.23 C ATOM 67 CD1 ILE A 5 2.195 3.277 -8.429 1.00 23.30 C ATOM 0 H ILE A 5 2.860 7.239 -7.682 1.00 73.23 H new ATOM 0 HA ILE A 5 0.232 7.088 -6.364 1.00 23.34 H new ATOM 0 HB ILE A 5 0.389 4.640 -6.787 1.00 1.01 H new ATOM 0 HG12 ILE A 5 2.937 5.277 -8.335 1.00 0.54 H new ATOM 0 HG13 ILE A 5 2.879 4.459 -6.787 1.00 0.54 H new ATOM 0 HG21 ILE A 5 0.018 4.733 -9.240 1.00 35.23 H new ATOM 0 HG22 ILE A 5 -0.800 6.067 -8.393 1.00 35.23 H new ATOM 0 HG23 ILE A 5 0.715 6.370 -9.277 1.00 35.23 H new ATOM 0 HD11 ILE A 5 3.185 2.859 -8.612 1.00 23.30 H new ATOM 0 HD12 ILE A 5 1.621 2.590 -7.807 1.00 23.30 H new ATOM 0 HD13 ILE A 5 1.681 3.422 -9.379 1.00 23.30 H new ATOM 79 N ILE A 6 1.112 5.759 -4.280 1.00 40.32 N ATOM 80 CA ILE A 6 1.623 5.287 -2.995 1.00 33.40 C ATOM 81 C ILE A 6 1.344 3.783 -2.907 1.00 22.02 C ATOM 82 O ILE A 6 0.264 3.319 -3.279 1.00 71.03 O ATOM 83 CB ILE A 6 0.968 6.037 -1.771 1.00 61.03 C ATOM 84 CG1 ILE A 6 1.116 7.593 -1.891 1.00 23.40 C ATOM 85 CG2 ILE A 6 1.559 5.539 -0.432 1.00 54.52 C ATOM 86 CD1 ILE A 6 2.529 8.130 -1.934 1.00 21.40 C ATOM 0 H ILE A 6 0.104 5.650 -4.389 1.00 40.32 H new ATOM 0 HA ILE A 6 2.692 5.494 -2.943 1.00 33.40 H new ATOM 0 HB ILE A 6 -0.097 5.804 -1.787 1.00 61.03 H new ATOM 0 HG12 ILE A 6 0.599 7.917 -2.794 1.00 23.40 H new ATOM 0 HG13 ILE A 6 0.601 8.052 -1.047 1.00 23.40 H new ATOM 0 HG21 ILE A 6 1.089 6.073 0.394 1.00 54.52 H new ATOM 0 HG22 ILE A 6 1.372 4.470 -0.327 1.00 54.52 H new ATOM 0 HG23 ILE A 6 2.633 5.722 -0.418 1.00 54.52 H new ATOM 0 HD11 ILE A 6 2.503 9.216 -2.018 1.00 21.40 H new ATOM 0 HD12 ILE A 6 3.053 7.849 -1.021 1.00 21.40 H new ATOM 0 HD13 ILE A 6 3.051 7.712 -2.795 1.00 21.40 H new ATOM 98 N VAL A 7 2.339 3.041 -2.433 1.00 44.44 N ATOM 99 CA VAL A 7 2.227 1.607 -2.176 1.00 24.54 C ATOM 100 C VAL A 7 2.329 1.411 -0.663 1.00 71.55 C ATOM 101 O VAL A 7 3.366 1.707 -0.057 1.00 12.45 O ATOM 102 CB VAL A 7 3.318 0.759 -2.938 1.00 61.52 C ATOM 103 CG1 VAL A 7 3.215 -0.743 -2.572 1.00 42.33 C ATOM 104 CG2 VAL A 7 3.197 0.960 -4.471 1.00 33.24 C ATOM 0 H VAL A 7 3.259 3.422 -2.213 1.00 44.44 H new ATOM 0 HA VAL A 7 1.271 1.245 -2.555 1.00 24.54 H new ATOM 0 HB VAL A 7 4.299 1.114 -2.622 1.00 61.52 H new ATOM 0 HG11 VAL A 7 3.979 -1.302 -3.112 1.00 42.33 H new ATOM 0 HG12 VAL A 7 3.364 -0.867 -1.499 1.00 42.33 H new ATOM 0 HG13 VAL A 7 2.229 -1.118 -2.847 1.00 42.33 H new ATOM 0 HG21 VAL A 7 3.958 0.366 -4.977 1.00 33.24 H new ATOM 0 HG22 VAL A 7 2.209 0.642 -4.803 1.00 33.24 H new ATOM 0 HG23 VAL A 7 3.339 2.014 -4.712 1.00 33.24 H new ATOM 114 N ILE A 8 1.232 0.939 -0.060 1.00 40.34 N ATOM 115 CA ILE A 8 1.126 0.769 1.388 1.00 50.24 C ATOM 116 C ILE A 8 1.093 -0.726 1.693 1.00 73.31 C ATOM 117 O ILE A 8 0.238 -1.458 1.216 1.00 71.23 O ATOM 118 CB ILE A 8 -0.126 1.520 1.988 1.00 72.45 C ATOM 119 CG1 ILE A 8 0.061 3.058 1.793 1.00 64.40 C ATOM 120 CG2 ILE A 8 -0.350 1.160 3.485 1.00 44.23 C ATOM 121 CD1 ILE A 8 -1.066 3.934 2.297 1.00 72.42 C ATOM 0 H ILE A 8 0.391 0.664 -0.567 1.00 40.34 H new ATOM 0 HA ILE A 8 1.994 1.222 1.868 1.00 50.24 H new ATOM 0 HB ILE A 8 -1.021 1.197 1.456 1.00 72.45 H new ATOM 0 HG12 ILE A 8 0.980 3.358 2.296 1.00 64.40 H new ATOM 0 HG13 ILE A 8 0.200 3.255 0.730 1.00 64.40 H new ATOM 0 HG21 ILE A 8 -1.221 1.697 3.862 1.00 44.23 H new ATOM 0 HG22 ILE A 8 -0.516 0.087 3.580 1.00 44.23 H new ATOM 0 HG23 ILE A 8 0.529 1.444 4.063 1.00 44.23 H new ATOM 0 HD11 ILE A 8 -0.826 4.980 2.108 1.00 72.42 H new ATOM 0 HD12 ILE A 8 -1.989 3.674 1.778 1.00 72.42 H new ATOM 0 HD13 ILE A 8 -1.196 3.779 3.368 1.00 72.42 H new ATOM 133 N ILE A 9 2.036 -1.132 2.515 1.00 32.15 N ATOM 134 CA ILE A 9 2.244 -2.512 2.898 1.00 1.13 C ATOM 135 C ILE A 9 1.507 -2.676 4.224 1.00 20.34 C ATOM 136 O ILE A 9 2.036 -2.307 5.281 1.00 24.40 O ATOM 137 CB ILE A 9 3.773 -2.906 3.040 1.00 61.21 C ATOM 138 CG1 ILE A 9 4.551 -2.794 1.676 1.00 35.02 C ATOM 139 CG2 ILE A 9 3.925 -4.337 3.632 1.00 63.33 C ATOM 140 CD1 ILE A 9 4.771 -1.387 1.116 1.00 0.43 C ATOM 0 H ILE A 9 2.700 -0.491 2.949 1.00 32.15 H new ATOM 0 HA ILE A 9 1.867 -3.179 2.123 1.00 1.13 H new ATOM 0 HB ILE A 9 4.219 -2.188 3.729 1.00 61.21 H new ATOM 0 HG12 ILE A 9 5.526 -3.265 1.802 1.00 35.02 H new ATOM 0 HG13 ILE A 9 4.011 -3.375 0.929 1.00 35.02 H new ATOM 0 HG21 ILE A 9 4.983 -4.584 3.720 1.00 63.33 H new ATOM 0 HG22 ILE A 9 3.461 -4.374 4.618 1.00 63.33 H new ATOM 0 HG23 ILE A 9 3.438 -5.057 2.974 1.00 63.33 H new ATOM 0 HD11 ILE A 9 5.318 -1.451 0.175 1.00 0.43 H new ATOM 0 HD12 ILE A 9 3.807 -0.909 0.943 1.00 0.43 H new ATOM 0 HD13 ILE A 9 5.345 -0.797 1.830 1.00 0.43 H new ATOM 152 N SER A 10 0.260 -3.178 4.159 1.00 73.54 N ATOM 153 CA SER A 10 -0.592 -3.258 5.342 1.00 75.34 C ATOM 154 C SER A 10 -0.144 -4.488 6.134 1.00 23.41 C ATOM 155 O SER A 10 -0.495 -5.625 5.795 1.00 61.03 O ATOM 156 CB SER A 10 -2.083 -3.354 4.936 1.00 44.10 C ATOM 157 OG SER A 10 -2.925 -3.431 6.070 1.00 30.45 O ATOM 0 H SER A 10 -0.170 -3.530 3.304 1.00 73.54 H new ATOM 0 HA SER A 10 -0.496 -2.362 5.955 1.00 75.34 H new ATOM 0 HB2 SER A 10 -2.355 -2.484 4.338 1.00 44.10 H new ATOM 0 HB3 SER A 10 -2.235 -4.232 4.309 1.00 44.10 H new ATOM 0 HG SER A 10 -3.729 -3.944 5.846 1.00 30.45 H new ATOM 163 N SER A 11 0.677 -4.237 7.165 1.00 51.05 N ATOM 164 CA SER A 11 1.346 -5.282 7.935 1.00 24.40 C ATOM 165 C SER A 11 0.596 -5.531 9.257 1.00 11.52 C ATOM 166 O SER A 11 0.879 -4.877 10.268 1.00 41.54 O ATOM 167 CB SER A 11 2.824 -4.874 8.181 1.00 22.15 C ATOM 168 OG SER A 11 3.554 -5.897 8.841 1.00 13.03 O ATOM 0 H SER A 11 0.893 -3.293 7.486 1.00 51.05 H new ATOM 0 HA SER A 11 1.338 -6.217 7.375 1.00 24.40 H new ATOM 0 HB2 SER A 11 3.301 -4.645 7.228 1.00 22.15 H new ATOM 0 HB3 SER A 11 2.854 -3.963 8.779 1.00 22.15 H new ATOM 0 HG SER A 11 4.479 -5.603 8.976 1.00 13.03 H new ATOM 174 N ASP A 12 -0.419 -6.422 9.180 1.00 61.14 N ATOM 175 CA ASP A 12 -1.166 -6.984 10.338 1.00 12.20 C ATOM 176 C ASP A 12 -2.204 -5.987 10.925 1.00 33.33 C ATOM 177 O ASP A 12 -3.409 -6.278 10.952 1.00 52.24 O ATOM 178 CB ASP A 12 -0.187 -7.515 11.431 1.00 30.40 C ATOM 179 CG ASP A 12 -0.889 -8.249 12.591 1.00 14.21 C ATOM 180 OD1 ASP A 12 -1.107 -9.480 12.481 1.00 44.42 O ATOM 181 OD2 ASP A 12 -1.198 -7.616 13.628 1.00 3.44 O ATOM 0 H ASP A 12 -0.754 -6.783 8.286 1.00 61.14 H new ATOM 0 HA ASP A 12 -1.742 -7.831 9.964 1.00 12.20 H new ATOM 0 HB2 ASP A 12 0.530 -8.192 10.966 1.00 30.40 H new ATOM 0 HB3 ASP A 12 0.381 -6.677 11.835 1.00 30.40 H new ATOM 186 N ASP A 13 -1.722 -4.821 11.374 1.00 51.33 N ATOM 187 CA ASP A 13 -2.540 -3.780 12.041 1.00 12.33 C ATOM 188 C ASP A 13 -3.479 -3.058 11.042 1.00 12.04 C ATOM 189 O ASP A 13 -3.176 -2.966 9.848 1.00 52.15 O ATOM 190 CB ASP A 13 -1.605 -2.761 12.756 1.00 40.24 C ATOM 191 CG ASP A 13 -2.335 -1.942 13.841 1.00 30.42 C ATOM 192 OD1 ASP A 13 -2.947 -0.910 13.515 1.00 23.04 O ATOM 193 OD2 ASP A 13 -2.311 -2.348 15.030 1.00 52.52 O ATOM 0 H ASP A 13 -0.739 -4.563 11.286 1.00 51.33 H new ATOM 0 HA ASP A 13 -3.176 -4.267 12.780 1.00 12.33 H new ATOM 0 HB2 ASP A 13 -0.771 -3.296 13.210 1.00 40.24 H new ATOM 0 HB3 ASP A 13 -1.182 -2.081 12.016 1.00 40.24 H new ATOM 198 N THR A 14 -4.604 -2.526 11.569 1.00 23.54 N ATOM 199 CA THR A 14 -5.689 -1.940 10.753 1.00 73.33 C ATOM 200 C THR A 14 -5.432 -0.460 10.379 1.00 64.31 C ATOM 201 O THR A 14 -5.995 0.032 9.398 1.00 24.34 O ATOM 202 CB THR A 14 -7.077 -2.076 11.478 1.00 61.43 C ATOM 203 OG1 THR A 14 -7.213 -3.402 12.024 1.00 50.01 O ATOM 204 CG2 THR A 14 -8.268 -1.804 10.531 1.00 22.14 C ATOM 0 H THR A 14 -4.785 -2.491 12.572 1.00 23.54 H new ATOM 0 HA THR A 14 -5.709 -2.510 9.824 1.00 73.33 H new ATOM 0 HB THR A 14 -7.098 -1.327 12.269 1.00 61.43 H new ATOM 0 HG1 THR A 14 -8.079 -3.482 12.477 1.00 50.01 H new ATOM 0 HG21 THR A 14 -9.203 -1.911 11.082 1.00 22.14 H new ATOM 0 HG22 THR A 14 -8.194 -0.791 10.135 1.00 22.14 H new ATOM 0 HG23 THR A 14 -8.248 -2.518 9.707 1.00 22.14 H new ATOM 212 N THR A 15 -4.596 0.247 11.169 1.00 4.44 N ATOM 213 CA THR A 15 -4.275 1.677 10.949 1.00 52.20 C ATOM 214 C THR A 15 -3.837 1.984 9.494 1.00 63.32 C ATOM 215 O THR A 15 -4.276 2.973 8.910 1.00 63.31 O ATOM 216 CB THR A 15 -3.163 2.151 11.940 1.00 74.14 C ATOM 217 OG1 THR A 15 -3.585 1.908 13.294 1.00 5.41 O ATOM 218 CG2 THR A 15 -2.832 3.644 11.781 1.00 12.41 C ATOM 0 H THR A 15 -4.123 -0.156 11.978 1.00 4.44 H new ATOM 0 HA THR A 15 -5.198 2.227 11.134 1.00 52.20 H new ATOM 0 HB THR A 15 -2.263 1.582 11.708 1.00 74.14 H new ATOM 0 HG1 THR A 15 -3.414 0.972 13.527 1.00 5.41 H new ATOM 0 HG21 THR A 15 -2.054 3.922 12.492 1.00 12.41 H new ATOM 0 HG22 THR A 15 -2.480 3.833 10.767 1.00 12.41 H new ATOM 0 HG23 THR A 15 -3.726 4.237 11.971 1.00 12.41 H new ATOM 226 N LEU A 16 -3.026 1.087 8.907 1.00 65.34 N ATOM 227 CA LEU A 16 -2.475 1.269 7.543 1.00 13.55 C ATOM 228 C LEU A 16 -3.589 1.123 6.480 1.00 10.04 C ATOM 229 O LEU A 16 -3.528 1.755 5.427 1.00 0.13 O ATOM 230 CB LEU A 16 -1.295 0.293 7.253 1.00 63.35 C ATOM 231 CG LEU A 16 -0.040 0.410 8.203 1.00 20.32 C ATOM 232 CD1 LEU A 16 -0.282 -0.263 9.572 1.00 44.24 C ATOM 233 CD2 LEU A 16 1.236 -0.138 7.523 1.00 73.30 C ATOM 0 H LEU A 16 -2.733 0.220 9.357 1.00 65.34 H new ATOM 0 HA LEU A 16 -2.073 2.281 7.487 1.00 13.55 H new ATOM 0 HB2 LEU A 16 -1.673 -0.728 7.310 1.00 63.35 H new ATOM 0 HB3 LEU A 16 -0.963 0.453 6.227 1.00 63.35 H new ATOM 0 HG LEU A 16 0.116 1.472 8.394 1.00 20.32 H new ATOM 0 HD11 LEU A 16 0.608 -0.157 10.192 1.00 44.24 H new ATOM 0 HD12 LEU A 16 -1.128 0.214 10.067 1.00 44.24 H new ATOM 0 HD13 LEU A 16 -0.498 -1.321 9.424 1.00 44.24 H new ATOM 0 HD21 LEU A 16 2.081 -0.042 8.205 1.00 73.30 H new ATOM 0 HD22 LEU A 16 1.091 -1.188 7.270 1.00 73.30 H new ATOM 0 HD23 LEU A 16 1.437 0.430 6.614 1.00 73.30 H new ATOM 245 N GLU A 17 -4.609 0.298 6.800 1.00 1.22 N ATOM 246 CA GLU A 17 -5.820 0.106 5.963 1.00 1.04 C ATOM 247 C GLU A 17 -6.687 1.384 5.978 1.00 11.53 C ATOM 248 O GLU A 17 -7.207 1.809 4.937 1.00 3.22 O ATOM 249 CB GLU A 17 -6.647 -1.095 6.508 1.00 24.24 C ATOM 250 CG GLU A 17 -5.854 -2.415 6.615 1.00 71.13 C ATOM 251 CD GLU A 17 -6.575 -3.522 7.405 1.00 63.33 C ATOM 252 OE1 GLU A 17 -7.737 -3.847 7.081 1.00 53.42 O ATOM 253 OE2 GLU A 17 -5.971 -4.101 8.337 1.00 13.25 O ATOM 0 H GLU A 17 -4.618 -0.260 7.654 1.00 1.22 H new ATOM 0 HA GLU A 17 -5.513 -0.100 4.938 1.00 1.04 H new ATOM 0 HB2 GLU A 17 -7.035 -0.837 7.493 1.00 24.24 H new ATOM 0 HB3 GLU A 17 -7.508 -1.253 5.858 1.00 24.24 H new ATOM 0 HG2 GLU A 17 -5.642 -2.781 5.610 1.00 71.13 H new ATOM 0 HG3 GLU A 17 -4.894 -2.212 7.090 1.00 71.13 H new ATOM 260 N GLU A 18 -6.805 1.987 7.180 1.00 71.00 N ATOM 261 CA GLU A 18 -7.635 3.181 7.425 1.00 24.23 C ATOM 262 C GLU A 18 -7.049 4.425 6.737 1.00 23.21 C ATOM 263 O GLU A 18 -7.766 5.147 6.035 1.00 74.43 O ATOM 264 CB GLU A 18 -7.771 3.423 8.953 1.00 20.43 C ATOM 265 CG GLU A 18 -8.542 2.317 9.704 1.00 13.21 C ATOM 266 CD GLU A 18 -10.011 2.197 9.249 1.00 1.00 C ATOM 267 OE1 GLU A 18 -10.843 3.027 9.688 1.00 41.21 O ATOM 268 OE2 GLU A 18 -10.336 1.300 8.438 1.00 32.54 O ATOM 0 H GLU A 18 -6.321 1.654 8.014 1.00 71.00 H new ATOM 0 HA GLU A 18 -8.622 3.002 6.998 1.00 24.23 H new ATOM 0 HB2 GLU A 18 -6.774 3.513 9.385 1.00 20.43 H new ATOM 0 HB3 GLU A 18 -8.275 4.376 9.115 1.00 20.43 H new ATOM 0 HG2 GLU A 18 -8.040 1.362 9.550 1.00 13.21 H new ATOM 0 HG3 GLU A 18 -8.514 2.523 10.774 1.00 13.21 H new ATOM 275 N LEU A 19 -5.735 4.644 6.941 1.00 53.12 N ATOM 276 CA LEU A 19 -5.010 5.815 6.408 1.00 1.22 C ATOM 277 C LEU A 19 -4.948 5.774 4.872 1.00 2.22 C ATOM 278 O LEU A 19 -5.113 6.805 4.229 1.00 30.34 O ATOM 279 CB LEU A 19 -3.577 5.884 7.012 1.00 2.33 C ATOM 280 CG LEU A 19 -3.499 6.041 8.567 1.00 14.22 C ATOM 281 CD1 LEU A 19 -2.039 6.016 9.061 1.00 11.04 C ATOM 282 CD2 LEU A 19 -4.238 7.306 9.054 1.00 23.10 C ATOM 0 H LEU A 19 -5.145 4.012 7.482 1.00 53.12 H new ATOM 0 HA LEU A 19 -5.555 6.714 6.698 1.00 1.22 H new ATOM 0 HB2 LEU A 19 -3.041 4.978 6.730 1.00 2.33 H new ATOM 0 HB3 LEU A 19 -3.050 6.722 6.555 1.00 2.33 H new ATOM 0 HG LEU A 19 -4.010 5.183 9.004 1.00 14.22 H new ATOM 0 HD11 LEU A 19 -2.020 6.127 10.145 1.00 11.04 H new ATOM 0 HD12 LEU A 19 -1.578 5.068 8.785 1.00 11.04 H new ATOM 0 HD13 LEU A 19 -1.486 6.835 8.602 1.00 11.04 H new ATOM 0 HD21 LEU A 19 -4.160 7.378 10.139 1.00 23.10 H new ATOM 0 HD22 LEU A 19 -3.788 8.188 8.599 1.00 23.10 H new ATOM 0 HD23 LEU A 19 -5.288 7.246 8.769 1.00 23.10 H new ATOM 294 N ALA A 20 -4.771 4.554 4.319 1.00 54.23 N ATOM 295 CA ALA A 20 -4.608 4.303 2.864 1.00 72.24 C ATOM 296 C ALA A 20 -5.696 4.971 1.997 1.00 43.02 C ATOM 297 O ALA A 20 -5.423 5.436 0.882 1.00 22.02 O ATOM 298 CB ALA A 20 -4.589 2.784 2.608 1.00 72.44 C ATOM 0 H ALA A 20 -4.736 3.701 4.877 1.00 54.23 H new ATOM 0 HA ALA A 20 -3.662 4.756 2.567 1.00 72.24 H new ATOM 0 HB1 ALA A 20 -4.470 2.596 1.541 1.00 72.44 H new ATOM 0 HB2 ALA A 20 -3.758 2.334 3.151 1.00 72.44 H new ATOM 0 HB3 ALA A 20 -5.526 2.346 2.951 1.00 72.44 H new ATOM 304 N ARG A 21 -6.924 5.005 2.540 1.00 51.31 N ATOM 305 CA ARG A 21 -8.108 5.533 1.847 1.00 72.35 C ATOM 306 C ARG A 21 -8.070 7.076 1.776 1.00 55.21 C ATOM 307 O ARG A 21 -8.546 7.671 0.807 1.00 13.41 O ATOM 308 CB ARG A 21 -9.385 5.002 2.560 1.00 41.34 C ATOM 309 CG ARG A 21 -10.649 4.938 1.672 1.00 60.14 C ATOM 310 CD ARG A 21 -11.805 4.192 2.367 1.00 72.50 C ATOM 311 NE ARG A 21 -13.023 4.130 1.532 1.00 71.23 N ATOM 312 CZ ARG A 21 -13.992 3.207 1.663 1.00 33.04 C ATOM 313 NH1 ARG A 21 -13.908 2.243 2.577 1.00 70.05 N ATOM 314 NH2 ARG A 21 -15.063 3.267 0.886 1.00 1.23 N ATOM 0 H ARG A 21 -7.123 4.664 3.480 1.00 51.31 H new ATOM 0 HA ARG A 21 -8.119 5.185 0.814 1.00 72.35 H new ATOM 0 HB2 ARG A 21 -9.179 4.004 2.946 1.00 41.34 H new ATOM 0 HB3 ARG A 21 -9.595 5.639 3.419 1.00 41.34 H new ATOM 0 HG2 ARG A 21 -10.968 5.950 1.422 1.00 60.14 H new ATOM 0 HG3 ARG A 21 -10.408 4.439 0.733 1.00 60.14 H new ATOM 0 HD2 ARG A 21 -11.484 3.179 2.612 1.00 72.50 H new ATOM 0 HD3 ARG A 21 -12.039 4.688 3.309 1.00 72.50 H new ATOM 0 HE ARG A 21 -13.136 4.837 0.805 1.00 71.23 H new ATOM 0 HH11 ARG A 21 -13.098 2.195 3.194 1.00 70.05 H new ATOM 0 HH12 ARG A 21 -14.654 1.552 2.660 1.00 70.05 H new ATOM 0 HH21 ARG A 21 -15.149 4.010 0.193 1.00 1.23 H new ATOM 0 HH22 ARG A 21 -15.801 2.570 0.981 1.00 1.23 H new ATOM 328 N LYS A 22 -7.450 7.704 2.799 1.00 12.10 N ATOM 329 CA LYS A 22 -7.256 9.174 2.860 1.00 11.52 C ATOM 330 C LYS A 22 -6.308 9.629 1.735 1.00 33.41 C ATOM 331 O LYS A 22 -6.572 10.631 1.071 1.00 64.01 O ATOM 332 CB LYS A 22 -6.684 9.633 4.246 1.00 21.45 C ATOM 333 CG LYS A 22 -7.688 9.655 5.431 1.00 71.43 C ATOM 334 CD LYS A 22 -8.267 8.269 5.785 1.00 1.23 C ATOM 335 CE LYS A 22 -9.249 8.308 6.970 1.00 75.41 C ATOM 336 NZ LYS A 22 -9.837 6.965 7.236 1.00 43.25 N ATOM 0 H LYS A 22 -7.070 7.209 3.606 1.00 12.10 H new ATOM 0 HA LYS A 22 -8.234 9.637 2.731 1.00 11.52 H new ATOM 0 HB2 LYS A 22 -5.857 8.974 4.510 1.00 21.45 H new ATOM 0 HB3 LYS A 22 -6.269 10.634 4.130 1.00 21.45 H new ATOM 0 HG2 LYS A 22 -7.189 10.065 6.309 1.00 71.43 H new ATOM 0 HG3 LYS A 22 -8.509 10.329 5.187 1.00 71.43 H new ATOM 0 HD2 LYS A 22 -8.777 7.861 4.912 1.00 1.23 H new ATOM 0 HD3 LYS A 22 -7.448 7.590 6.022 1.00 1.23 H new ATOM 0 HE2 LYS A 22 -8.731 8.663 7.861 1.00 75.41 H new ATOM 0 HE3 LYS A 22 -10.047 9.020 6.760 1.00 75.41 H new ATOM 0 HZ1 LYS A 22 -9.946 6.831 8.261 1.00 43.25 H new ATOM 0 HZ2 LYS A 22 -10.768 6.896 6.777 1.00 43.25 H new ATOM 0 HZ3 LYS A 22 -9.208 6.229 6.856 1.00 43.25 H new ATOM 350 N ILE A 23 -5.213 8.863 1.536 1.00 45.23 N ATOM 351 CA ILE A 23 -4.166 9.185 0.542 1.00 12.21 C ATOM 352 C ILE A 23 -4.747 9.354 -0.885 1.00 63.44 C ATOM 353 O ILE A 23 -4.519 10.385 -1.515 1.00 50.04 O ATOM 354 CB ILE A 23 -2.990 8.110 0.547 1.00 53.54 C ATOM 355 CG1 ILE A 23 -2.003 8.308 1.749 1.00 75.32 C ATOM 356 CG2 ILE A 23 -2.191 8.108 -0.774 1.00 20.32 C ATOM 357 CD1 ILE A 23 -2.514 7.883 3.106 1.00 75.33 C ATOM 0 H ILE A 23 -5.030 8.006 2.059 1.00 45.23 H new ATOM 0 HA ILE A 23 -3.744 10.144 0.843 1.00 12.21 H new ATOM 0 HB ILE A 23 -3.484 7.145 0.658 1.00 53.54 H new ATOM 0 HG12 ILE A 23 -1.089 7.753 1.537 1.00 75.32 H new ATOM 0 HG13 ILE A 23 -1.731 9.362 1.800 1.00 75.32 H new ATOM 0 HG21 ILE A 23 -1.401 7.359 -0.720 1.00 20.32 H new ATOM 0 HG22 ILE A 23 -2.859 7.873 -1.603 1.00 20.32 H new ATOM 0 HG23 ILE A 23 -1.748 9.091 -0.933 1.00 20.32 H new ATOM 0 HD11 ILE A 23 -1.746 8.067 3.858 1.00 75.33 H new ATOM 0 HD12 ILE A 23 -3.408 8.455 3.353 1.00 75.33 H new ATOM 0 HD13 ILE A 23 -2.756 6.820 3.087 1.00 75.33 H new ATOM 369 N LYS A 24 -5.526 8.357 -1.370 1.00 24.21 N ATOM 370 CA LYS A 24 -6.016 8.354 -2.771 1.00 21.13 C ATOM 371 C LYS A 24 -7.025 9.479 -3.069 1.00 63.43 C ATOM 372 O LYS A 24 -7.235 9.811 -4.238 1.00 70.35 O ATOM 373 CB LYS A 24 -6.576 6.980 -3.208 1.00 51.15 C ATOM 374 CG LYS A 24 -7.778 6.435 -2.409 1.00 63.53 C ATOM 375 CD LYS A 24 -8.501 5.292 -3.172 1.00 25.25 C ATOM 376 CE LYS A 24 -7.550 4.173 -3.640 1.00 40.33 C ATOM 377 NZ LYS A 24 -8.270 3.109 -4.388 1.00 5.31 N ATOM 0 H LYS A 24 -5.826 7.553 -0.819 1.00 24.21 H new ATOM 0 HA LYS A 24 -5.131 8.555 -3.374 1.00 21.13 H new ATOM 0 HB2 LYS A 24 -6.868 7.049 -4.256 1.00 51.15 H new ATOM 0 HB3 LYS A 24 -5.769 6.250 -3.149 1.00 51.15 H new ATOM 0 HG2 LYS A 24 -7.436 6.068 -1.441 1.00 63.53 H new ATOM 0 HG3 LYS A 24 -8.482 7.244 -2.212 1.00 63.53 H new ATOM 0 HD2 LYS A 24 -9.267 4.862 -2.527 1.00 25.25 H new ATOM 0 HD3 LYS A 24 -9.013 5.710 -4.039 1.00 25.25 H new ATOM 0 HE2 LYS A 24 -6.772 4.599 -4.274 1.00 40.33 H new ATOM 0 HE3 LYS A 24 -7.052 3.735 -2.775 1.00 40.33 H new ATOM 0 HZ1 LYS A 24 -7.658 2.741 -5.144 1.00 5.31 H new ATOM 0 HZ2 LYS A 24 -8.521 2.337 -3.738 1.00 5.31 H new ATOM 0 HZ3 LYS A 24 -9.136 3.504 -4.806 1.00 5.31 H new ATOM 391 N ASP A 25 -7.637 10.053 -2.009 1.00 35.11 N ATOM 392 CA ASP A 25 -8.557 11.215 -2.122 1.00 4.31 C ATOM 393 C ASP A 25 -7.850 12.439 -2.764 1.00 60.51 C ATOM 394 O ASP A 25 -8.500 13.300 -3.367 1.00 14.45 O ATOM 395 CB ASP A 25 -9.126 11.585 -0.725 1.00 61.00 C ATOM 396 CG ASP A 25 -10.196 12.695 -0.781 1.00 33.03 C ATOM 397 OD1 ASP A 25 -11.361 12.386 -1.131 1.00 3.01 O ATOM 398 OD2 ASP A 25 -9.888 13.873 -0.473 1.00 70.20 O ATOM 0 H ASP A 25 -7.510 9.727 -1.051 1.00 35.11 H new ATOM 0 HA ASP A 25 -9.381 10.930 -2.776 1.00 4.31 H new ATOM 0 HB2 ASP A 25 -9.558 10.695 -0.268 1.00 61.00 H new ATOM 0 HB3 ASP A 25 -8.309 11.909 -0.081 1.00 61.00 H new ATOM 403 N GLU A 26 -6.504 12.474 -2.657 1.00 11.44 N ATOM 404 CA GLU A 26 -5.655 13.525 -3.258 1.00 52.43 C ATOM 405 C GLU A 26 -5.537 13.377 -4.804 1.00 63.35 C ATOM 406 O GLU A 26 -4.864 14.182 -5.459 1.00 13.25 O ATOM 407 CB GLU A 26 -4.252 13.495 -2.595 1.00 32.43 C ATOM 408 CG GLU A 26 -4.251 13.693 -1.059 1.00 22.12 C ATOM 409 CD GLU A 26 -4.849 15.039 -0.614 1.00 23.41 C ATOM 410 OE1 GLU A 26 -4.259 16.092 -0.935 1.00 52.30 O ATOM 411 OE2 GLU A 26 -5.912 15.057 0.045 1.00 44.51 O ATOM 0 H GLU A 26 -5.972 11.768 -2.147 1.00 11.44 H new ATOM 0 HA GLU A 26 -6.129 14.489 -3.072 1.00 52.43 H new ATOM 0 HB2 GLU A 26 -3.779 12.540 -2.824 1.00 32.43 H new ATOM 0 HB3 GLU A 26 -3.636 14.272 -3.047 1.00 32.43 H new ATOM 0 HG2 GLU A 26 -4.814 12.883 -0.596 1.00 22.12 H new ATOM 0 HG3 GLU A 26 -3.227 13.620 -0.692 1.00 22.12 H new ATOM 418 N GLY A 27 -6.183 12.333 -5.371 1.00 15.05 N ATOM 419 CA GLY A 27 -6.324 12.168 -6.828 1.00 65.23 C ATOM 420 C GLY A 27 -5.316 11.200 -7.442 1.00 43.23 C ATOM 421 O GLY A 27 -4.887 11.390 -8.585 1.00 3.31 O ATOM 0 H GLY A 27 -6.618 11.586 -4.830 1.00 15.05 H new ATOM 0 HA2 GLY A 27 -7.332 11.815 -7.048 1.00 65.23 H new ATOM 0 HA3 GLY A 27 -6.216 13.142 -7.306 1.00 65.23 H new ATOM 425 N LEU A 28 -4.916 10.171 -6.677 1.00 63.41 N ATOM 426 CA LEU A 28 -4.017 9.090 -7.164 1.00 12.14 C ATOM 427 C LEU A 28 -4.628 7.710 -6.879 1.00 51.13 C ATOM 428 O LEU A 28 -5.671 7.612 -6.235 1.00 72.32 O ATOM 429 CB LEU A 28 -2.624 9.156 -6.491 1.00 72.33 C ATOM 430 CG LEU A 28 -2.630 9.022 -4.925 1.00 65.04 C ATOM 431 CD1 LEU A 28 -1.359 8.335 -4.405 1.00 54.21 C ATOM 432 CD2 LEU A 28 -2.819 10.394 -4.258 1.00 24.40 C ATOM 0 H LEU A 28 -5.201 10.057 -5.704 1.00 63.41 H new ATOM 0 HA LEU A 28 -3.901 9.237 -8.238 1.00 12.14 H new ATOM 0 HB2 LEU A 28 -2.000 8.364 -6.905 1.00 72.33 H new ATOM 0 HB3 LEU A 28 -2.154 10.103 -6.757 1.00 72.33 H new ATOM 0 HG LEU A 28 -3.476 8.389 -4.658 1.00 65.04 H new ATOM 0 HD11 LEU A 28 -1.403 8.262 -3.318 1.00 54.21 H new ATOM 0 HD12 LEU A 28 -1.285 7.335 -4.833 1.00 54.21 H new ATOM 0 HD13 LEU A 28 -0.485 8.919 -4.694 1.00 54.21 H new ATOM 0 HD21 LEU A 28 -2.820 10.275 -3.175 1.00 24.40 H new ATOM 0 HD22 LEU A 28 -2.004 11.056 -4.550 1.00 24.40 H new ATOM 0 HD23 LEU A 28 -3.768 10.826 -4.576 1.00 24.40 H new ATOM 444 N GLU A 29 -3.965 6.649 -7.382 1.00 52.02 N ATOM 445 CA GLU A 29 -4.272 5.256 -7.020 1.00 51.21 C ATOM 446 C GLU A 29 -3.287 4.769 -5.937 1.00 44.40 C ATOM 447 O GLU A 29 -2.125 5.184 -5.914 1.00 24.42 O ATOM 448 CB GLU A 29 -4.181 4.353 -8.281 1.00 12.32 C ATOM 449 CG GLU A 29 -4.626 2.886 -8.070 1.00 11.34 C ATOM 450 CD GLU A 29 -6.059 2.768 -7.504 1.00 44.30 C ATOM 451 OE1 GLU A 29 -7.019 3.138 -8.219 1.00 74.01 O ATOM 452 OE2 GLU A 29 -6.229 2.315 -6.342 1.00 13.11 O ATOM 0 H GLU A 29 -3.201 6.737 -8.052 1.00 52.02 H new ATOM 0 HA GLU A 29 -5.285 5.200 -6.622 1.00 51.21 H new ATOM 0 HB2 GLU A 29 -4.793 4.792 -9.069 1.00 12.32 H new ATOM 0 HB3 GLU A 29 -3.151 4.356 -8.638 1.00 12.32 H new ATOM 0 HG2 GLU A 29 -4.571 2.355 -9.020 1.00 11.34 H new ATOM 0 HG3 GLU A 29 -3.930 2.395 -7.390 1.00 11.34 H new ATOM 459 N VAL A 30 -3.772 3.879 -5.047 1.00 72.31 N ATOM 460 CA VAL A 30 -2.956 3.257 -3.985 1.00 25.24 C ATOM 461 C VAL A 30 -2.948 1.732 -4.180 1.00 53.40 C ATOM 462 O VAL A 30 -4.001 1.112 -4.380 1.00 55.11 O ATOM 463 CB VAL A 30 -3.479 3.629 -2.542 1.00 13.32 C ATOM 464 CG1 VAL A 30 -2.655 2.933 -1.425 1.00 24.50 C ATOM 465 CG2 VAL A 30 -3.464 5.157 -2.346 1.00 2.14 C ATOM 0 H VAL A 30 -4.744 3.571 -5.045 1.00 72.31 H new ATOM 0 HA VAL A 30 -1.940 3.644 -4.063 1.00 25.24 H new ATOM 0 HB VAL A 30 -4.504 3.267 -2.463 1.00 13.32 H new ATOM 0 HG11 VAL A 30 -3.050 3.218 -0.450 1.00 24.50 H new ATOM 0 HG12 VAL A 30 -2.724 1.852 -1.542 1.00 24.50 H new ATOM 0 HG13 VAL A 30 -1.612 3.240 -1.497 1.00 24.50 H new ATOM 0 HG21 VAL A 30 -3.827 5.399 -1.347 1.00 2.14 H new ATOM 0 HG22 VAL A 30 -2.446 5.529 -2.462 1.00 2.14 H new ATOM 0 HG23 VAL A 30 -4.109 5.626 -3.090 1.00 2.14 H new ATOM 475 N TYR A 31 -1.742 1.154 -4.122 1.00 34.40 N ATOM 476 CA TYR A 31 -1.513 -0.285 -4.273 1.00 31.23 C ATOM 477 C TYR A 31 -1.120 -0.854 -2.913 1.00 35.51 C ATOM 478 O TYR A 31 -0.090 -0.475 -2.359 1.00 1.24 O ATOM 479 CB TYR A 31 -0.390 -0.538 -5.310 1.00 30.20 C ATOM 480 CG TYR A 31 -0.771 -0.174 -6.752 1.00 41.12 C ATOM 481 CD1 TYR A 31 -0.686 1.142 -7.223 1.00 73.21 C ATOM 482 CD2 TYR A 31 -1.231 -1.151 -7.642 1.00 45.24 C ATOM 483 CE1 TYR A 31 -1.035 1.464 -8.522 1.00 33.12 C ATOM 484 CE2 TYR A 31 -1.579 -0.829 -8.939 1.00 12.21 C ATOM 485 CZ TYR A 31 -1.482 0.476 -9.373 1.00 4.54 C ATOM 486 OH TYR A 31 -1.833 0.795 -10.667 1.00 22.20 O ATOM 0 H TYR A 31 -0.884 1.684 -3.966 1.00 34.40 H new ATOM 0 HA TYR A 31 -2.419 -0.774 -4.630 1.00 31.23 H new ATOM 0 HB2 TYR A 31 0.491 0.037 -5.023 1.00 30.20 H new ATOM 0 HB3 TYR A 31 -0.109 -1.591 -5.275 1.00 30.20 H new ATOM 0 HD1 TYR A 31 -0.341 1.921 -6.559 1.00 73.21 H new ATOM 0 HD2 TYR A 31 -1.315 -2.175 -7.309 1.00 45.24 H new ATOM 0 HE1 TYR A 31 -0.958 2.484 -8.868 1.00 33.12 H new ATOM 0 HE2 TYR A 31 -1.927 -1.598 -9.612 1.00 12.21 H new ATOM 0 HH TYR A 31 -2.126 -0.014 -11.136 1.00 22.20 H new ATOM 496 N ILE A 32 -1.954 -1.730 -2.349 1.00 12.34 N ATOM 497 CA ILE A 32 -1.670 -2.337 -1.048 1.00 2.01 C ATOM 498 C ILE A 32 -0.902 -3.656 -1.253 1.00 32.41 C ATOM 499 O ILE A 32 -1.277 -4.467 -2.095 1.00 73.12 O ATOM 500 CB ILE A 32 -2.978 -2.612 -0.221 1.00 24.52 C ATOM 501 CG1 ILE A 32 -3.890 -1.342 -0.124 1.00 50.03 C ATOM 502 CG2 ILE A 32 -2.632 -3.153 1.192 1.00 71.23 C ATOM 503 CD1 ILE A 32 -3.278 -0.155 0.595 1.00 24.13 C ATOM 0 H ILE A 32 -2.831 -2.034 -2.773 1.00 12.34 H new ATOM 0 HA ILE A 32 -1.065 -1.630 -0.480 1.00 2.01 H new ATOM 0 HB ILE A 32 -3.544 -3.375 -0.755 1.00 24.52 H new ATOM 0 HG12 ILE A 32 -4.162 -1.033 -1.133 1.00 50.03 H new ATOM 0 HG13 ILE A 32 -4.814 -1.617 0.385 1.00 50.03 H new ATOM 0 HG21 ILE A 32 -3.552 -3.336 1.747 1.00 71.23 H new ATOM 0 HG22 ILE A 32 -2.073 -4.084 1.098 1.00 71.23 H new ATOM 0 HG23 ILE A 32 -2.027 -2.419 1.725 1.00 71.23 H new ATOM 0 HD11 ILE A 32 -3.990 0.670 0.607 1.00 24.13 H new ATOM 0 HD12 ILE A 32 -3.032 -0.437 1.619 1.00 24.13 H new ATOM 0 HD13 ILE A 32 -2.371 0.156 0.077 1.00 24.13 H new ATOM 515 N LEU A 33 0.200 -3.841 -0.517 1.00 40.32 N ATOM 516 CA LEU A 33 0.872 -5.144 -0.402 1.00 43.53 C ATOM 517 C LEU A 33 0.534 -5.736 0.950 1.00 62.10 C ATOM 518 O LEU A 33 1.006 -5.260 1.985 1.00 44.23 O ATOM 519 CB LEU A 33 2.399 -4.997 -0.588 1.00 74.21 C ATOM 520 CG LEU A 33 2.829 -4.479 -1.983 1.00 1.12 C ATOM 521 CD1 LEU A 33 4.360 -4.437 -2.131 1.00 12.23 C ATOM 522 CD2 LEU A 33 2.164 -5.320 -3.093 1.00 71.34 C ATOM 0 H LEU A 33 0.651 -3.096 0.014 1.00 40.32 H new ATOM 0 HA LEU A 33 0.523 -5.813 -1.189 1.00 43.53 H new ATOM 0 HB2 LEU A 33 2.781 -4.316 0.172 1.00 74.21 H new ATOM 0 HB3 LEU A 33 2.868 -5.965 -0.413 1.00 74.21 H new ATOM 0 HG LEU A 33 2.483 -3.450 -2.086 1.00 1.12 H new ATOM 0 HD11 LEU A 33 4.620 -4.068 -3.123 1.00 12.23 H new ATOM 0 HD12 LEU A 33 4.780 -3.773 -1.376 1.00 12.23 H new ATOM 0 HD13 LEU A 33 4.766 -5.440 -1.999 1.00 12.23 H new ATOM 0 HD21 LEU A 33 2.474 -4.946 -4.068 1.00 71.34 H new ATOM 0 HD22 LEU A 33 2.467 -6.362 -2.991 1.00 71.34 H new ATOM 0 HD23 LEU A 33 1.080 -5.247 -3.005 1.00 71.34 H new ATOM 534 N LEU A 34 -0.322 -6.753 0.937 1.00 71.43 N ATOM 535 CA LEU A 34 -0.852 -7.328 2.164 1.00 22.03 C ATOM 536 C LEU A 34 0.208 -8.255 2.791 1.00 44.31 C ATOM 537 O LEU A 34 0.770 -9.131 2.120 1.00 12.21 O ATOM 538 CB LEU A 34 -2.198 -8.065 1.891 1.00 21.34 C ATOM 539 CG LEU A 34 -3.322 -7.856 2.961 1.00 73.34 C ATOM 540 CD1 LEU A 34 -2.882 -8.301 4.377 1.00 11.00 C ATOM 541 CD2 LEU A 34 -3.803 -6.387 2.960 1.00 63.02 C ATOM 0 H LEU A 34 -0.664 -7.196 0.084 1.00 71.43 H new ATOM 0 HA LEU A 34 -1.072 -6.535 2.879 1.00 22.03 H new ATOM 0 HB2 LEU A 34 -2.579 -7.738 0.924 1.00 21.34 H new ATOM 0 HB3 LEU A 34 -1.995 -9.133 1.809 1.00 21.34 H new ATOM 0 HG LEU A 34 -4.158 -8.497 2.682 1.00 73.34 H new ATOM 0 HD11 LEU A 34 -3.698 -8.135 5.081 1.00 11.00 H new ATOM 0 HD12 LEU A 34 -2.626 -9.360 4.362 1.00 11.00 H new ATOM 0 HD13 LEU A 34 -2.012 -7.722 4.687 1.00 11.00 H new ATOM 0 HD21 LEU A 34 -4.584 -6.259 3.709 1.00 63.02 H new ATOM 0 HD22 LEU A 34 -2.965 -5.730 3.193 1.00 63.02 H new ATOM 0 HD23 LEU A 34 -4.199 -6.135 1.976 1.00 63.02 H new ATOM 553 N LYS A 35 0.478 -8.007 4.073 1.00 34.33 N ATOM 554 CA LYS A 35 1.351 -8.817 4.914 1.00 60.35 C ATOM 555 C LYS A 35 0.609 -9.039 6.237 1.00 60.31 C ATOM 556 O LYS A 35 0.243 -8.077 6.909 1.00 42.33 O ATOM 557 CB LYS A 35 2.690 -8.079 5.163 1.00 51.23 C ATOM 558 CG LYS A 35 3.705 -8.878 6.014 1.00 41.14 C ATOM 559 CD LYS A 35 4.922 -8.035 6.467 1.00 2.33 C ATOM 560 CE LYS A 35 5.693 -7.408 5.294 1.00 12.14 C ATOM 561 NZ LYS A 35 6.942 -6.738 5.747 1.00 23.32 N ATOM 0 H LYS A 35 0.080 -7.209 4.568 1.00 34.33 H new ATOM 0 HA LYS A 35 1.585 -9.768 4.435 1.00 60.35 H new ATOM 0 HB2 LYS A 35 3.146 -7.842 4.202 1.00 51.23 H new ATOM 0 HB3 LYS A 35 2.483 -7.131 5.660 1.00 51.23 H new ATOM 0 HG2 LYS A 35 3.198 -9.274 6.894 1.00 41.14 H new ATOM 0 HG3 LYS A 35 4.058 -9.733 5.438 1.00 41.14 H new ATOM 0 HD2 LYS A 35 4.580 -7.243 7.133 1.00 2.33 H new ATOM 0 HD3 LYS A 35 5.599 -8.666 7.043 1.00 2.33 H new ATOM 0 HE2 LYS A 35 5.939 -8.181 4.566 1.00 12.14 H new ATOM 0 HE3 LYS A 35 5.056 -6.684 4.786 1.00 12.14 H new ATOM 0 HZ1 LYS A 35 7.433 -6.328 4.927 1.00 23.32 H new ATOM 0 HZ2 LYS A 35 6.706 -5.983 6.422 1.00 23.32 H new ATOM 0 HZ3 LYS A 35 7.561 -7.434 6.209 1.00 23.32 H new ATOM 575 N ASP A 36 0.352 -10.291 6.597 1.00 53.12 N ATOM 576 CA ASP A 36 -0.372 -10.628 7.842 1.00 12.24 C ATOM 577 C ASP A 36 0.395 -11.739 8.572 1.00 33.03 C ATOM 578 O ASP A 36 1.340 -12.304 8.017 1.00 3.31 O ATOM 579 CB ASP A 36 -1.824 -11.058 7.488 1.00 34.13 C ATOM 580 CG ASP A 36 -2.811 -10.936 8.664 1.00 74.41 C ATOM 581 OD1 ASP A 36 -2.880 -11.859 9.511 1.00 13.05 O ATOM 582 OD2 ASP A 36 -3.514 -9.902 8.751 1.00 33.41 O ATOM 0 H ASP A 36 0.632 -11.103 6.047 1.00 53.12 H new ATOM 0 HA ASP A 36 -0.434 -9.765 8.505 1.00 12.24 H new ATOM 0 HB2 ASP A 36 -2.183 -10.447 6.660 1.00 34.13 H new ATOM 0 HB3 ASP A 36 -1.813 -12.091 7.140 1.00 34.13 H new ATOM 587 N LYS A 37 0.008 -12.037 9.820 1.00 43.32 N ATOM 588 CA LYS A 37 0.591 -13.166 10.576 1.00 12.12 C ATOM 589 C LYS A 37 0.102 -14.488 9.945 1.00 33.55 C ATOM 590 O LYS A 37 0.858 -15.460 9.842 1.00 24.24 O ATOM 591 CB LYS A 37 0.223 -13.064 12.093 1.00 73.00 C ATOM 592 CG LYS A 37 1.224 -13.749 13.081 1.00 14.23 C ATOM 593 CD LYS A 37 1.137 -15.302 13.177 1.00 42.03 C ATOM 594 CE LYS A 37 0.000 -15.815 14.094 1.00 1.24 C ATOM 595 NZ LYS A 37 -1.362 -15.498 13.587 1.00 10.20 N ATOM 0 H LYS A 37 -0.705 -11.516 10.331 1.00 43.32 H new ATOM 0 HA LYS A 37 1.679 -13.135 10.519 1.00 12.12 H new ATOM 0 HB2 LYS A 37 0.143 -12.010 12.359 1.00 73.00 H new ATOM 0 HB3 LYS A 37 -0.763 -13.505 12.239 1.00 73.00 H new ATOM 0 HG2 LYS A 37 2.238 -13.480 12.784 1.00 14.23 H new ATOM 0 HG3 LYS A 37 1.062 -13.334 14.076 1.00 14.23 H new ATOM 0 HD2 LYS A 37 0.994 -15.710 12.176 1.00 42.03 H new ATOM 0 HD3 LYS A 37 2.088 -15.687 13.545 1.00 42.03 H new ATOM 0 HE2 LYS A 37 0.095 -16.895 14.207 1.00 1.24 H new ATOM 0 HE3 LYS A 37 0.120 -15.379 15.086 1.00 1.24 H new ATOM 0 HZ1 LYS A 37 -1.995 -16.304 13.765 1.00 10.20 H new ATOM 0 HZ2 LYS A 37 -1.727 -14.656 14.076 1.00 10.20 H new ATOM 0 HZ3 LYS A 37 -1.317 -15.312 12.565 1.00 10.20 H new ATOM 609 N ASP A 38 -1.165 -14.491 9.506 1.00 11.12 N ATOM 610 CA ASP A 38 -1.782 -15.623 8.789 1.00 34.32 C ATOM 611 C ASP A 38 -2.021 -15.218 7.329 1.00 62.01 C ATOM 612 O ASP A 38 -2.700 -14.220 7.085 1.00 32.24 O ATOM 613 CB ASP A 38 -3.139 -16.010 9.435 1.00 1.23 C ATOM 614 CG ASP A 38 -3.030 -16.318 10.932 1.00 75.12 C ATOM 615 OD1 ASP A 38 -2.346 -17.292 11.305 1.00 75.35 O ATOM 616 OD2 ASP A 38 -3.598 -15.569 11.755 1.00 24.32 O ATOM 0 H ASP A 38 -1.798 -13.702 9.638 1.00 11.12 H new ATOM 0 HA ASP A 38 -1.111 -16.480 8.843 1.00 34.32 H new ATOM 0 HB2 ASP A 38 -3.849 -15.196 9.289 1.00 1.23 H new ATOM 0 HB3 ASP A 38 -3.544 -16.881 8.920 1.00 1.23 H new ATOM 621 N GLU A 39 -1.476 -15.988 6.354 1.00 3.44 N ATOM 622 CA GLU A 39 -1.763 -15.766 4.914 1.00 25.21 C ATOM 623 C GLU A 39 -3.246 -16.059 4.587 1.00 2.23 C ATOM 624 O GLU A 39 -3.759 -15.629 3.547 1.00 3.55 O ATOM 625 CB GLU A 39 -0.823 -16.598 4.010 1.00 4.01 C ATOM 626 CG GLU A 39 -1.001 -18.123 4.124 1.00 22.23 C ATOM 627 CD GLU A 39 -0.071 -18.901 3.185 1.00 45.52 C ATOM 628 OE1 GLU A 39 -0.466 -19.169 2.028 1.00 14.22 O ATOM 629 OE2 GLU A 39 1.070 -19.223 3.589 1.00 22.44 O ATOM 0 H GLU A 39 -0.839 -16.764 6.537 1.00 3.44 H new ATOM 0 HA GLU A 39 -1.573 -14.713 4.705 1.00 25.21 H new ATOM 0 HB2 GLU A 39 -0.985 -16.304 2.973 1.00 4.01 H new ATOM 0 HB3 GLU A 39 0.209 -16.347 4.255 1.00 4.01 H new ATOM 0 HG2 GLU A 39 -0.812 -18.431 5.152 1.00 22.23 H new ATOM 0 HG3 GLU A 39 -2.036 -18.381 3.899 1.00 22.23 H new ATOM 636 N LYS A 40 -3.898 -16.812 5.494 1.00 45.22 N ATOM 637 CA LYS A 40 -5.358 -16.993 5.544 1.00 72.10 C ATOM 638 C LYS A 40 -6.057 -15.617 5.612 1.00 5.33 C ATOM 639 O LYS A 40 -6.787 -15.226 4.697 1.00 12.11 O ATOM 640 CB LYS A 40 -5.692 -17.842 6.815 1.00 51.20 C ATOM 641 CG LYS A 40 -7.191 -18.141 7.043 1.00 34.44 C ATOM 642 CD LYS A 40 -7.792 -19.054 5.953 1.00 0.11 C ATOM 643 CE LYS A 40 -9.274 -19.375 6.212 1.00 54.10 C ATOM 644 NZ LYS A 40 -10.112 -18.143 6.285 1.00 64.02 N ATOM 0 H LYS A 40 -3.410 -17.323 6.230 1.00 45.22 H new ATOM 0 HA LYS A 40 -5.712 -17.505 4.650 1.00 72.10 H new ATOM 0 HB2 LYS A 40 -5.157 -18.789 6.748 1.00 51.20 H new ATOM 0 HB3 LYS A 40 -5.307 -17.319 7.691 1.00 51.20 H new ATOM 0 HG2 LYS A 40 -7.318 -18.614 8.017 1.00 34.44 H new ATOM 0 HG3 LYS A 40 -7.744 -17.202 7.069 1.00 34.44 H new ATOM 0 HD2 LYS A 40 -7.692 -18.570 4.981 1.00 0.11 H new ATOM 0 HD3 LYS A 40 -7.224 -19.983 5.907 1.00 0.11 H new ATOM 0 HE2 LYS A 40 -9.648 -20.021 5.418 1.00 54.10 H new ATOM 0 HE3 LYS A 40 -9.366 -19.931 7.145 1.00 54.10 H new ATOM 0 HZ1 LYS A 40 -10.514 -18.052 7.240 1.00 64.02 H new ATOM 0 HZ2 LYS A 40 -9.524 -17.311 6.076 1.00 64.02 H new ATOM 0 HZ3 LYS A 40 -10.883 -18.206 5.590 1.00 64.02 H new ATOM 658 N ARG A 41 -5.716 -14.862 6.670 1.00 53.12 N ATOM 659 CA ARG A 41 -6.302 -13.550 6.975 1.00 2.14 C ATOM 660 C ARG A 41 -5.781 -12.463 6.027 1.00 63.34 C ATOM 661 O ARG A 41 -6.440 -11.445 5.827 1.00 44.11 O ATOM 662 CB ARG A 41 -5.984 -13.195 8.444 1.00 12.25 C ATOM 663 CG ARG A 41 -6.696 -14.104 9.468 1.00 74.30 C ATOM 664 CD ARG A 41 -8.221 -13.886 9.470 1.00 74.30 C ATOM 665 NE ARG A 41 -8.932 -14.890 10.275 1.00 2.12 N ATOM 666 CZ ARG A 41 -10.118 -14.694 10.872 1.00 34.14 C ATOM 667 NH1 ARG A 41 -10.757 -13.526 10.783 1.00 44.44 N ATOM 668 NH2 ARG A 41 -10.673 -15.688 11.542 1.00 73.12 N ATOM 0 H ARG A 41 -5.012 -15.154 7.348 1.00 53.12 H new ATOM 0 HA ARG A 41 -7.381 -13.602 6.832 1.00 2.14 H new ATOM 0 HB2 ARG A 41 -4.907 -13.260 8.600 1.00 12.25 H new ATOM 0 HB3 ARG A 41 -6.270 -12.160 8.629 1.00 12.25 H new ATOM 0 HG2 ARG A 41 -6.479 -15.147 9.239 1.00 74.30 H new ATOM 0 HG3 ARG A 41 -6.300 -13.907 10.464 1.00 74.30 H new ATOM 0 HD2 ARG A 41 -8.442 -12.891 9.857 1.00 74.30 H new ATOM 0 HD3 ARG A 41 -8.591 -13.918 8.445 1.00 74.30 H new ATOM 0 HE ARG A 41 -8.491 -15.803 10.388 1.00 2.12 H new ATOM 0 HH11 ARG A 41 -10.345 -12.758 10.253 1.00 44.44 H new ATOM 0 HH12 ARG A 41 -11.658 -13.401 11.245 1.00 44.44 H new ATOM 0 HH21 ARG A 41 -10.200 -16.590 11.601 1.00 73.12 H new ATOM 0 HH22 ARG A 41 -11.574 -15.553 12.001 1.00 73.12 H new ATOM 682 N LEU A 42 -4.587 -12.706 5.468 1.00 33.23 N ATOM 683 CA LEU A 42 -3.972 -11.858 4.441 1.00 14.41 C ATOM 684 C LEU A 42 -4.877 -11.807 3.202 1.00 1.21 C ATOM 685 O LEU A 42 -5.255 -10.724 2.756 1.00 33.50 O ATOM 686 CB LEU A 42 -2.557 -12.436 4.126 1.00 71.31 C ATOM 687 CG LEU A 42 -1.581 -11.650 3.178 1.00 31.01 C ATOM 688 CD1 LEU A 42 -0.122 -12.119 3.379 1.00 5.52 C ATOM 689 CD2 LEU A 42 -1.962 -11.784 1.692 1.00 23.22 C ATOM 0 H LEU A 42 -4.014 -13.510 5.722 1.00 33.23 H new ATOM 0 HA LEU A 42 -3.857 -10.831 4.788 1.00 14.41 H new ATOM 0 HB2 LEU A 42 -2.044 -12.574 5.078 1.00 71.31 H new ATOM 0 HB3 LEU A 42 -2.700 -13.427 3.695 1.00 71.31 H new ATOM 0 HG LEU A 42 -1.670 -10.599 3.451 1.00 31.01 H new ATOM 0 HD11 LEU A 42 0.535 -11.561 2.712 1.00 5.52 H new ATOM 0 HD12 LEU A 42 0.177 -11.945 4.413 1.00 5.52 H new ATOM 0 HD13 LEU A 42 -0.048 -13.183 3.154 1.00 5.52 H new ATOM 0 HD21 LEU A 42 -1.254 -11.221 1.083 1.00 23.22 H new ATOM 0 HD22 LEU A 42 -1.935 -12.835 1.403 1.00 23.22 H new ATOM 0 HD23 LEU A 42 -2.967 -11.391 1.537 1.00 23.22 H new ATOM 701 N GLU A 43 -5.236 -13.003 2.683 1.00 14.20 N ATOM 702 CA GLU A 43 -6.059 -13.158 1.466 1.00 34.11 C ATOM 703 C GLU A 43 -7.450 -12.518 1.646 1.00 44.45 C ATOM 704 O GLU A 43 -7.972 -11.874 0.727 1.00 32.21 O ATOM 705 CB GLU A 43 -6.200 -14.662 1.121 1.00 74.40 C ATOM 706 CG GLU A 43 -6.972 -14.946 -0.182 1.00 32.51 C ATOM 707 CD GLU A 43 -7.159 -16.442 -0.454 1.00 21.41 C ATOM 708 OE1 GLU A 43 -6.224 -17.083 -0.980 1.00 4.14 O ATOM 709 OE2 GLU A 43 -8.235 -16.987 -0.123 1.00 21.12 O ATOM 0 H GLU A 43 -4.960 -13.892 3.101 1.00 14.20 H new ATOM 0 HA GLU A 43 -5.560 -12.643 0.645 1.00 34.11 H new ATOM 0 HB2 GLU A 43 -5.205 -15.099 1.042 1.00 74.40 H new ATOM 0 HB3 GLU A 43 -6.705 -15.166 1.945 1.00 74.40 H new ATOM 0 HG2 GLU A 43 -7.950 -14.467 -0.130 1.00 32.51 H new ATOM 0 HG3 GLU A 43 -6.440 -14.494 -1.019 1.00 32.51 H new ATOM 716 N GLU A 44 -8.018 -12.697 2.850 1.00 30.11 N ATOM 717 CA GLU A 44 -9.333 -12.150 3.226 1.00 70.33 C ATOM 718 C GLU A 44 -9.287 -10.608 3.268 1.00 23.11 C ATOM 719 O GLU A 44 -10.209 -9.936 2.795 1.00 33.45 O ATOM 720 CB GLU A 44 -9.765 -12.732 4.597 1.00 34.41 C ATOM 721 CG GLU A 44 -9.872 -14.267 4.609 1.00 10.41 C ATOM 722 CD GLU A 44 -10.303 -14.838 5.969 1.00 13.22 C ATOM 723 OE1 GLU A 44 -11.517 -14.782 6.281 1.00 24.21 O ATOM 724 OE2 GLU A 44 -9.448 -15.364 6.716 1.00 21.42 O ATOM 0 H GLU A 44 -7.573 -13.230 3.597 1.00 30.11 H new ATOM 0 HA GLU A 44 -10.069 -12.439 2.476 1.00 70.33 H new ATOM 0 HB2 GLU A 44 -9.048 -12.420 5.357 1.00 34.41 H new ATOM 0 HB3 GLU A 44 -10.729 -12.307 4.875 1.00 34.41 H new ATOM 0 HG2 GLU A 44 -10.588 -14.580 3.849 1.00 10.41 H new ATOM 0 HG3 GLU A 44 -8.907 -14.693 4.334 1.00 10.41 H new ATOM 731 N LYS A 45 -8.176 -10.074 3.804 1.00 1.43 N ATOM 732 CA LYS A 45 -7.949 -8.623 3.949 1.00 23.12 C ATOM 733 C LYS A 45 -7.665 -7.961 2.579 1.00 12.42 C ATOM 734 O LYS A 45 -7.950 -6.766 2.388 1.00 31.03 O ATOM 735 CB LYS A 45 -6.797 -8.392 4.954 1.00 12.34 C ATOM 736 CG LYS A 45 -6.590 -6.928 5.394 1.00 13.23 C ATOM 737 CD LYS A 45 -5.537 -6.803 6.521 1.00 53.23 C ATOM 738 CE LYS A 45 -5.967 -7.508 7.820 1.00 15.01 C ATOM 739 NZ LYS A 45 -4.958 -7.352 8.902 1.00 4.21 N ATOM 0 H LYS A 45 -7.403 -10.641 4.152 1.00 1.43 H new ATOM 0 HA LYS A 45 -8.851 -8.150 4.337 1.00 23.12 H new ATOM 0 HB2 LYS A 45 -6.984 -8.998 5.841 1.00 12.34 H new ATOM 0 HB3 LYS A 45 -5.870 -8.755 4.509 1.00 12.34 H new ATOM 0 HG2 LYS A 45 -6.275 -6.333 4.537 1.00 13.23 H new ATOM 0 HG3 LYS A 45 -7.539 -6.515 5.737 1.00 13.23 H new ATOM 0 HD2 LYS A 45 -4.593 -7.227 6.178 1.00 53.23 H new ATOM 0 HD3 LYS A 45 -5.357 -5.748 6.728 1.00 53.23 H new ATOM 0 HE2 LYS A 45 -6.922 -7.101 8.154 1.00 15.01 H new ATOM 0 HE3 LYS A 45 -6.124 -8.568 7.622 1.00 15.01 H new ATOM 0 HZ1 LYS A 45 -5.443 -7.208 9.811 1.00 4.21 H new ATOM 0 HZ2 LYS A 45 -4.370 -8.208 8.955 1.00 4.21 H new ATOM 0 HZ3 LYS A 45 -4.354 -6.530 8.698 1.00 4.21 H new ATOM 753 N ILE A 46 -7.121 -8.765 1.632 1.00 21.55 N ATOM 754 CA ILE A 46 -6.991 -8.374 0.212 1.00 24.25 C ATOM 755 C ILE A 46 -8.390 -8.062 -0.355 1.00 74.05 C ATOM 756 O ILE A 46 -8.581 -7.030 -0.993 1.00 44.22 O ATOM 757 CB ILE A 46 -6.274 -9.497 -0.662 1.00 71.00 C ATOM 758 CG1 ILE A 46 -4.776 -9.671 -0.244 1.00 3.01 C ATOM 759 CG2 ILE A 46 -6.384 -9.219 -2.184 1.00 24.35 C ATOM 760 CD1 ILE A 46 -3.962 -10.645 -1.089 1.00 4.40 C ATOM 0 H ILE A 46 -6.762 -9.698 1.833 1.00 21.55 H new ATOM 0 HA ILE A 46 -6.360 -7.487 0.161 1.00 24.25 H new ATOM 0 HB ILE A 46 -6.801 -10.430 -0.462 1.00 71.00 H new ATOM 0 HG12 ILE A 46 -4.292 -8.695 -0.281 1.00 3.01 H new ATOM 0 HG13 ILE A 46 -4.744 -10.004 0.793 1.00 3.01 H new ATOM 0 HG21 ILE A 46 -5.880 -10.012 -2.736 1.00 24.35 H new ATOM 0 HG22 ILE A 46 -7.435 -9.187 -2.473 1.00 24.35 H new ATOM 0 HG23 ILE A 46 -5.915 -8.262 -2.414 1.00 24.35 H new ATOM 0 HD11 ILE A 46 -2.940 -10.688 -0.712 1.00 4.40 H new ATOM 0 HD12 ILE A 46 -4.411 -11.637 -1.035 1.00 4.40 H new ATOM 0 HD13 ILE A 46 -3.952 -10.307 -2.125 1.00 4.40 H new ATOM 772 N GLN A 47 -9.373 -8.941 -0.042 1.00 62.40 N ATOM 773 CA GLN A 47 -10.763 -8.811 -0.536 1.00 22.30 C ATOM 774 C GLN A 47 -11.452 -7.579 0.081 1.00 63.15 C ATOM 775 O GLN A 47 -12.206 -6.882 -0.602 1.00 44.24 O ATOM 776 CB GLN A 47 -11.606 -10.081 -0.218 1.00 55.45 C ATOM 777 CG GLN A 47 -10.938 -11.433 -0.540 1.00 15.05 C ATOM 778 CD GLN A 47 -10.402 -11.549 -1.967 1.00 65.10 C ATOM 779 OE1 GLN A 47 -11.118 -11.943 -2.886 1.00 24.34 O ATOM 780 NE2 GLN A 47 -9.123 -11.251 -2.150 1.00 61.22 N ATOM 0 H GLN A 47 -9.225 -9.754 0.556 1.00 62.40 H new ATOM 0 HA GLN A 47 -10.705 -8.691 -1.618 1.00 22.30 H new ATOM 0 HB2 GLN A 47 -11.861 -10.068 0.842 1.00 55.45 H new ATOM 0 HB3 GLN A 47 -12.542 -10.020 -0.772 1.00 55.45 H new ATOM 0 HG2 GLN A 47 -10.116 -11.594 0.158 1.00 15.05 H new ATOM 0 HG3 GLN A 47 -11.661 -12.231 -0.370 1.00 15.05 H new ATOM 0 HE21 GLN A 47 -8.558 -10.927 -1.365 1.00 61.22 H new ATOM 0 HE22 GLN A 47 -8.705 -11.346 -3.075 1.00 61.22 H new ATOM 789 N LYS A 48 -11.174 -7.339 1.388 1.00 51.41 N ATOM 790 CA LYS A 48 -11.704 -6.176 2.135 1.00 25.10 C ATOM 791 C LYS A 48 -11.328 -4.858 1.430 1.00 15.32 C ATOM 792 O LYS A 48 -12.195 -4.054 1.079 1.00 73.35 O ATOM 793 CB LYS A 48 -11.150 -6.148 3.587 1.00 62.35 C ATOM 794 CG LYS A 48 -11.467 -7.382 4.458 1.00 42.52 C ATOM 795 CD LYS A 48 -12.974 -7.587 4.733 1.00 73.32 C ATOM 796 CE LYS A 48 -13.230 -8.776 5.681 1.00 73.15 C ATOM 797 NZ LYS A 48 -14.678 -8.983 5.947 1.00 0.34 N ATOM 0 H LYS A 48 -10.577 -7.946 1.950 1.00 51.41 H new ATOM 0 HA LYS A 48 -12.789 -6.275 2.167 1.00 25.10 H new ATOM 0 HB2 LYS A 48 -10.067 -6.031 3.539 1.00 62.35 H new ATOM 0 HB3 LYS A 48 -11.544 -5.264 4.088 1.00 62.35 H new ATOM 0 HG2 LYS A 48 -11.074 -8.272 3.966 1.00 42.52 H new ATOM 0 HG3 LYS A 48 -10.944 -7.286 5.410 1.00 42.52 H new ATOM 0 HD2 LYS A 48 -13.390 -6.679 5.169 1.00 73.32 H new ATOM 0 HD3 LYS A 48 -13.495 -7.756 3.791 1.00 73.32 H new ATOM 0 HE2 LYS A 48 -12.810 -9.682 5.245 1.00 73.15 H new ATOM 0 HE3 LYS A 48 -12.710 -8.605 6.624 1.00 73.15 H new ATOM 0 HZ1 LYS A 48 -14.801 -9.792 6.589 1.00 0.34 H new ATOM 0 HZ2 LYS A 48 -15.076 -8.129 6.387 1.00 0.34 H new ATOM 0 HZ3 LYS A 48 -15.172 -9.173 5.052 1.00 0.34 H new ATOM 811 N LEU A 49 -10.018 -4.686 1.202 1.00 54.24 N ATOM 812 CA LEU A 49 -9.456 -3.463 0.620 1.00 34.31 C ATOM 813 C LEU A 49 -9.796 -3.326 -0.887 1.00 63.41 C ATOM 814 O LEU A 49 -10.069 -2.219 -1.344 1.00 14.52 O ATOM 815 CB LEU A 49 -7.926 -3.422 0.882 1.00 12.14 C ATOM 816 CG LEU A 49 -7.497 -3.177 2.370 1.00 45.03 C ATOM 817 CD1 LEU A 49 -6.014 -3.509 2.594 1.00 42.32 C ATOM 818 CD2 LEU A 49 -7.800 -1.727 2.804 1.00 33.02 C ATOM 0 H LEU A 49 -9.317 -5.395 1.418 1.00 54.24 H new ATOM 0 HA LEU A 49 -9.914 -2.602 1.106 1.00 34.31 H new ATOM 0 HB2 LEU A 49 -7.494 -4.366 0.549 1.00 12.14 H new ATOM 0 HB3 LEU A 49 -7.491 -2.637 0.264 1.00 12.14 H new ATOM 0 HG LEU A 49 -8.086 -3.851 2.991 1.00 45.03 H new ATOM 0 HD11 LEU A 49 -5.754 -3.327 3.637 1.00 42.32 H new ATOM 0 HD12 LEU A 49 -5.835 -4.557 2.353 1.00 42.32 H new ATOM 0 HD13 LEU A 49 -5.399 -2.879 1.951 1.00 42.32 H new ATOM 0 HD21 LEU A 49 -7.492 -1.585 3.840 1.00 33.02 H new ATOM 0 HD22 LEU A 49 -7.253 -1.034 2.165 1.00 33.02 H new ATOM 0 HD23 LEU A 49 -8.869 -1.536 2.714 1.00 33.02 H new ATOM 830 N LYS A 50 -9.818 -4.447 -1.653 1.00 73.14 N ATOM 831 CA LYS A 50 -10.196 -4.414 -3.096 1.00 21.20 C ATOM 832 C LYS A 50 -11.648 -3.935 -3.282 1.00 62.14 C ATOM 833 O LYS A 50 -11.930 -3.131 -4.174 1.00 22.14 O ATOM 834 CB LYS A 50 -9.985 -5.797 -3.795 1.00 2.22 C ATOM 835 CG LYS A 50 -8.500 -6.170 -4.060 1.00 30.54 C ATOM 836 CD LYS A 50 -8.336 -7.525 -4.796 1.00 63.43 C ATOM 837 CE LYS A 50 -8.870 -7.511 -6.241 1.00 12.01 C ATOM 838 NZ LYS A 50 -8.086 -6.603 -7.131 1.00 64.34 N ATOM 0 H LYS A 50 -9.582 -5.376 -1.304 1.00 73.14 H new ATOM 0 HA LYS A 50 -9.529 -3.698 -3.576 1.00 21.20 H new ATOM 0 HB2 LYS A 50 -10.436 -6.574 -3.177 1.00 2.22 H new ATOM 0 HB3 LYS A 50 -10.520 -5.794 -4.745 1.00 2.22 H new ATOM 0 HG2 LYS A 50 -8.034 -5.383 -4.652 1.00 30.54 H new ATOM 0 HG3 LYS A 50 -7.967 -6.212 -3.110 1.00 30.54 H new ATOM 0 HD2 LYS A 50 -7.280 -7.796 -4.810 1.00 63.43 H new ATOM 0 HD3 LYS A 50 -8.856 -8.300 -4.233 1.00 63.43 H new ATOM 0 HE2 LYS A 50 -8.843 -8.523 -6.645 1.00 12.01 H new ATOM 0 HE3 LYS A 50 -9.914 -7.198 -6.236 1.00 12.01 H new ATOM 0 HZ1 LYS A 50 -8.191 -6.910 -8.119 1.00 64.34 H new ATOM 0 HZ2 LYS A 50 -8.439 -5.630 -7.032 1.00 64.34 H new ATOM 0 HZ3 LYS A 50 -7.082 -6.636 -6.863 1.00 64.34 H new ATOM 852 N SER A 51 -12.555 -4.424 -2.417 1.00 4.23 N ATOM 853 CA SER A 51 -13.969 -4.001 -2.403 1.00 21.41 C ATOM 854 C SER A 51 -14.116 -2.511 -2.006 1.00 33.23 C ATOM 855 O SER A 51 -15.057 -1.837 -2.444 1.00 51.13 O ATOM 856 CB SER A 51 -14.791 -4.915 -1.466 1.00 5.40 C ATOM 857 OG SER A 51 -16.171 -4.605 -1.519 1.00 42.11 O ATOM 0 H SER A 51 -12.330 -5.123 -1.709 1.00 4.23 H new ATOM 0 HA SER A 51 -14.362 -4.101 -3.415 1.00 21.41 H new ATOM 0 HB2 SER A 51 -14.640 -5.957 -1.748 1.00 5.40 H new ATOM 0 HB3 SER A 51 -14.432 -4.806 -0.443 1.00 5.40 H new ATOM 0 HG SER A 51 -16.664 -5.201 -0.917 1.00 42.11 H new ATOM 863 N GLN A 52 -13.180 -2.011 -1.165 1.00 41.43 N ATOM 864 CA GLN A 52 -13.106 -0.574 -0.810 1.00 41.44 C ATOM 865 C GLN A 52 -12.605 0.269 -2.004 1.00 32.04 C ATOM 866 O GLN A 52 -12.849 1.477 -2.054 1.00 75.30 O ATOM 867 CB GLN A 52 -12.202 -0.350 0.437 1.00 21.34 C ATOM 868 CG GLN A 52 -12.793 -0.908 1.747 1.00 60.33 C ATOM 869 CD GLN A 52 -11.921 -0.639 2.972 1.00 65.52 C ATOM 870 OE1 GLN A 52 -12.050 0.391 3.629 1.00 63.13 O ATOM 871 NE2 GLN A 52 -11.035 -1.562 3.290 1.00 32.53 N ATOM 0 H GLN A 52 -12.464 -2.584 -0.719 1.00 41.43 H new ATOM 0 HA GLN A 52 -14.114 -0.244 -0.561 1.00 41.44 H new ATOM 0 HB2 GLN A 52 -11.233 -0.817 0.259 1.00 21.34 H new ATOM 0 HB3 GLN A 52 -12.024 0.719 0.557 1.00 21.34 H new ATOM 0 HG2 GLN A 52 -13.778 -0.469 1.908 1.00 60.33 H new ATOM 0 HG3 GLN A 52 -12.937 -1.983 1.642 1.00 60.33 H new ATOM 0 HE21 GLN A 52 -10.953 -2.406 2.724 1.00 32.53 H new ATOM 0 HE22 GLN A 52 -10.432 -1.432 4.102 1.00 32.53 H new ATOM 880 N GLY A 53 -11.895 -0.378 -2.952 1.00 10.33 N ATOM 881 CA GLY A 53 -11.485 0.260 -4.217 1.00 64.15 C ATOM 882 C GLY A 53 -9.977 0.245 -4.459 1.00 22.21 C ATOM 883 O GLY A 53 -9.506 0.871 -5.410 1.00 51.05 O ATOM 0 H GLY A 53 -11.593 -1.348 -2.862 1.00 10.33 H new ATOM 0 HA2 GLY A 53 -11.981 -0.247 -5.045 1.00 64.15 H new ATOM 0 HA3 GLY A 53 -11.833 1.293 -4.221 1.00 64.15 H new ATOM 887 N PHE A 54 -9.215 -0.451 -3.600 1.00 35.23 N ATOM 888 CA PHE A 54 -7.743 -0.585 -3.748 1.00 61.02 C ATOM 889 C PHE A 54 -7.394 -1.748 -4.689 1.00 0.43 C ATOM 890 O PHE A 54 -8.220 -2.633 -4.923 1.00 71.32 O ATOM 891 CB PHE A 54 -7.071 -0.846 -2.372 1.00 2.23 C ATOM 892 CG PHE A 54 -7.296 0.252 -1.338 1.00 12.41 C ATOM 893 CD1 PHE A 54 -6.486 1.383 -1.309 1.00 44.14 C ATOM 894 CD2 PHE A 54 -8.311 0.146 -0.384 1.00 34.52 C ATOM 895 CE1 PHE A 54 -6.693 2.367 -0.367 1.00 50.35 C ATOM 896 CE2 PHE A 54 -8.514 1.129 0.555 1.00 63.43 C ATOM 897 CZ PHE A 54 -7.703 2.233 0.565 1.00 74.53 C ATOM 0 H PHE A 54 -9.592 -0.937 -2.786 1.00 35.23 H new ATOM 0 HA PHE A 54 -7.372 0.351 -4.166 1.00 61.02 H new ATOM 0 HB2 PHE A 54 -7.447 -1.787 -1.971 1.00 2.23 H new ATOM 0 HB3 PHE A 54 -5.999 -0.970 -2.524 1.00 2.23 H new ATOM 0 HD1 PHE A 54 -5.689 1.490 -2.030 1.00 44.14 H new ATOM 0 HD2 PHE A 54 -8.949 -0.726 -0.384 1.00 34.52 H new ATOM 0 HE1 PHE A 54 -6.064 3.245 -0.358 1.00 50.35 H new ATOM 0 HE2 PHE A 54 -9.308 1.032 1.281 1.00 63.43 H new ATOM 0 HZ PHE A 54 -7.855 3.003 1.307 1.00 74.53 H new ATOM 907 N GLU A 55 -6.163 -1.738 -5.221 1.00 55.51 N ATOM 908 CA GLU A 55 -5.572 -2.920 -5.870 1.00 24.21 C ATOM 909 C GLU A 55 -4.546 -3.516 -4.896 1.00 23.41 C ATOM 910 O GLU A 55 -3.545 -2.875 -4.578 1.00 11.33 O ATOM 911 CB GLU A 55 -4.921 -2.557 -7.232 1.00 72.44 C ATOM 912 CG GLU A 55 -4.225 -3.745 -7.949 1.00 1.05 C ATOM 913 CD GLU A 55 -5.136 -4.987 -8.102 1.00 65.51 C ATOM 914 OE1 GLU A 55 -6.018 -4.988 -8.993 1.00 53.31 O ATOM 915 OE2 GLU A 55 -4.982 -5.959 -7.325 1.00 22.24 O ATOM 0 H GLU A 55 -5.554 -0.920 -5.215 1.00 55.51 H new ATOM 0 HA GLU A 55 -6.347 -3.653 -6.094 1.00 24.21 H new ATOM 0 HB2 GLU A 55 -5.689 -2.151 -7.891 1.00 72.44 H new ATOM 0 HB3 GLU A 55 -4.188 -1.766 -7.071 1.00 72.44 H new ATOM 0 HG2 GLU A 55 -3.895 -3.421 -8.936 1.00 1.05 H new ATOM 0 HG3 GLU A 55 -3.332 -4.025 -7.390 1.00 1.05 H new ATOM 922 N VAL A 56 -4.824 -4.741 -4.413 1.00 63.04 N ATOM 923 CA VAL A 56 -4.035 -5.389 -3.350 1.00 51.13 C ATOM 924 C VAL A 56 -3.395 -6.675 -3.888 1.00 5.44 C ATOM 925 O VAL A 56 -4.079 -7.491 -4.519 1.00 61.00 O ATOM 926 CB VAL A 56 -4.923 -5.726 -2.094 1.00 52.51 C ATOM 927 CG1 VAL A 56 -4.046 -6.138 -0.887 1.00 11.42 C ATOM 928 CG2 VAL A 56 -5.850 -4.551 -1.736 1.00 65.43 C ATOM 0 H VAL A 56 -5.602 -5.309 -4.749 1.00 63.04 H new ATOM 0 HA VAL A 56 -3.258 -4.691 -3.038 1.00 51.13 H new ATOM 0 HB VAL A 56 -5.554 -6.577 -2.351 1.00 52.51 H new ATOM 0 HG11 VAL A 56 -4.685 -6.365 -0.034 1.00 11.42 H new ATOM 0 HG12 VAL A 56 -3.461 -7.020 -1.147 1.00 11.42 H new ATOM 0 HG13 VAL A 56 -3.374 -5.319 -0.629 1.00 11.42 H new ATOM 0 HG21 VAL A 56 -6.450 -4.814 -0.865 1.00 65.43 H new ATOM 0 HG22 VAL A 56 -5.250 -3.670 -1.511 1.00 65.43 H new ATOM 0 HG23 VAL A 56 -6.507 -4.336 -2.579 1.00 65.43 H new ATOM 938 N ARG A 57 -2.090 -6.859 -3.611 1.00 70.21 N ATOM 939 CA ARG A 57 -1.302 -7.998 -4.110 1.00 65.41 C ATOM 940 C ARG A 57 -0.591 -8.716 -2.950 1.00 13.32 C ATOM 941 O ARG A 57 -0.282 -8.111 -1.910 1.00 44.34 O ATOM 942 CB ARG A 57 -0.287 -7.530 -5.199 1.00 4.21 C ATOM 943 CG ARG A 57 -0.918 -7.005 -6.525 1.00 24.11 C ATOM 944 CD ARG A 57 -1.548 -8.111 -7.403 1.00 73.23 C ATOM 945 NE ARG A 57 -2.717 -8.753 -6.776 1.00 33.25 N ATOM 946 CZ ARG A 57 -2.893 -10.080 -6.612 1.00 50.34 C ATOM 947 NH1 ARG A 57 -1.984 -10.956 -7.029 1.00 54.03 N ATOM 948 NH2 ARG A 57 -3.978 -10.509 -5.997 1.00 3.21 N ATOM 0 H ARG A 57 -1.551 -6.216 -3.031 1.00 70.21 H new ATOM 0 HA ARG A 57 -1.981 -8.712 -4.575 1.00 65.41 H new ATOM 0 HB2 ARG A 57 0.335 -6.741 -4.776 1.00 4.21 H new ATOM 0 HB3 ARG A 57 0.374 -8.364 -5.437 1.00 4.21 H new ATOM 0 HG2 ARG A 57 -1.683 -6.267 -6.284 1.00 24.11 H new ATOM 0 HG3 ARG A 57 -0.150 -6.491 -7.102 1.00 24.11 H new ATOM 0 HD2 ARG A 57 -1.847 -7.681 -8.359 1.00 73.23 H new ATOM 0 HD3 ARG A 57 -0.795 -8.870 -7.616 1.00 73.23 H new ATOM 0 HE ARG A 57 -3.458 -8.140 -6.436 1.00 33.25 H new ATOM 0 HH11 ARG A 57 -1.132 -10.629 -7.484 1.00 54.03 H new ATOM 0 HH12 ARG A 57 -2.139 -11.955 -6.894 1.00 54.03 H new ATOM 0 HH21 ARG A 57 -4.668 -9.841 -5.654 1.00 3.21 H new ATOM 0 HH22 ARG A 57 -4.127 -11.509 -5.864 1.00 3.21 H new ATOM 962 N LYS A 58 -0.346 -10.023 -3.159 1.00 74.43 N ATOM 963 CA LYS A 58 0.267 -10.919 -2.169 1.00 24.24 C ATOM 964 C LYS A 58 1.793 -10.922 -2.408 1.00 21.24 C ATOM 965 O LYS A 58 2.247 -11.194 -3.524 1.00 53.13 O ATOM 966 CB LYS A 58 -0.356 -12.353 -2.330 1.00 32.21 C ATOM 967 CG LYS A 58 -0.261 -13.301 -1.100 1.00 14.34 C ATOM 968 CD LYS A 58 1.168 -13.781 -0.770 1.00 54.30 C ATOM 969 CE LYS A 58 1.246 -14.631 0.507 1.00 12.22 C ATOM 970 NZ LYS A 58 2.648 -15.027 0.799 1.00 61.41 N ATOM 0 H LYS A 58 -0.573 -10.491 -4.036 1.00 74.43 H new ATOM 0 HA LYS A 58 0.076 -10.585 -1.149 1.00 24.24 H new ATOM 0 HB2 LYS A 58 -1.408 -12.239 -2.591 1.00 32.21 H new ATOM 0 HB3 LYS A 58 0.130 -12.842 -3.174 1.00 32.21 H new ATOM 0 HG2 LYS A 58 -0.668 -12.787 -0.229 1.00 14.34 H new ATOM 0 HG3 LYS A 58 -0.891 -14.172 -1.279 1.00 14.34 H new ATOM 0 HD2 LYS A 58 1.551 -14.363 -1.609 1.00 54.30 H new ATOM 0 HD3 LYS A 58 1.819 -12.913 -0.660 1.00 54.30 H new ATOM 0 HE2 LYS A 58 0.841 -14.068 1.348 1.00 12.22 H new ATOM 0 HE3 LYS A 58 0.629 -15.522 0.393 1.00 12.22 H new ATOM 0 HZ1 LYS A 58 2.711 -15.389 1.772 1.00 61.41 H new ATOM 0 HZ2 LYS A 58 2.945 -15.769 0.133 1.00 61.41 H new ATOM 0 HZ3 LYS A 58 3.271 -14.200 0.696 1.00 61.41 H new ATOM 984 N VAL A 59 2.568 -10.621 -1.356 1.00 1.41 N ATOM 985 CA VAL A 59 4.053 -10.599 -1.400 1.00 45.41 C ATOM 986 C VAL A 59 4.631 -11.595 -0.371 1.00 50.54 C ATOM 987 O VAL A 59 3.878 -12.272 0.338 1.00 61.31 O ATOM 988 CB VAL A 59 4.612 -9.148 -1.121 1.00 11.02 C ATOM 989 CG1 VAL A 59 4.405 -8.231 -2.347 1.00 1.21 C ATOM 990 CG2 VAL A 59 3.965 -8.541 0.154 1.00 62.35 C ATOM 0 H VAL A 59 2.188 -10.383 -0.440 1.00 1.41 H new ATOM 0 HA VAL A 59 4.364 -10.896 -2.401 1.00 45.41 H new ATOM 0 HB VAL A 59 5.685 -9.226 -0.944 1.00 11.02 H new ATOM 0 HG11 VAL A 59 4.798 -7.238 -2.129 1.00 1.21 H new ATOM 0 HG12 VAL A 59 4.930 -8.649 -3.206 1.00 1.21 H new ATOM 0 HG13 VAL A 59 3.341 -8.159 -2.572 1.00 1.21 H new ATOM 0 HG21 VAL A 59 4.366 -7.542 0.325 1.00 62.35 H new ATOM 0 HG22 VAL A 59 2.885 -8.481 0.020 1.00 62.35 H new ATOM 0 HG23 VAL A 59 4.190 -9.174 1.013 1.00 62.35 H new ATOM 1000 N LYS A 60 5.974 -11.696 -0.322 1.00 22.30 N ATOM 1001 CA LYS A 60 6.699 -12.513 0.682 1.00 3.13 C ATOM 1002 C LYS A 60 7.426 -11.585 1.690 1.00 54.10 C ATOM 1003 O LYS A 60 6.792 -11.078 2.626 1.00 25.31 O ATOM 1004 CB LYS A 60 7.675 -13.517 -0.013 1.00 3.31 C ATOM 1005 CG LYS A 60 7.011 -14.745 -0.669 1.00 73.25 C ATOM 1006 CD LYS A 60 6.390 -15.707 0.376 1.00 3.52 C ATOM 1007 CE LYS A 60 5.973 -17.063 -0.222 1.00 22.10 C ATOM 1008 NZ LYS A 60 5.368 -17.972 0.795 1.00 21.31 N ATOM 0 H LYS A 60 6.591 -11.214 -0.976 1.00 22.30 H new ATOM 0 HA LYS A 60 5.982 -13.114 1.241 1.00 3.13 H new ATOM 0 HB2 LYS A 60 8.238 -12.980 -0.776 1.00 3.31 H new ATOM 0 HB3 LYS A 60 8.395 -13.867 0.727 1.00 3.31 H new ATOM 0 HG2 LYS A 60 6.235 -14.411 -1.358 1.00 73.25 H new ATOM 0 HG3 LYS A 60 7.752 -15.283 -1.260 1.00 73.25 H new ATOM 0 HD2 LYS A 60 7.109 -15.876 1.177 1.00 3.52 H new ATOM 0 HD3 LYS A 60 5.518 -15.232 0.825 1.00 3.52 H new ATOM 0 HE2 LYS A 60 5.258 -16.897 -1.028 1.00 22.10 H new ATOM 0 HE3 LYS A 60 6.845 -17.546 -0.664 1.00 22.10 H new ATOM 0 HZ1 LYS A 60 5.104 -18.871 0.344 1.00 21.31 H new ATOM 0 HZ2 LYS A 60 6.058 -18.154 1.552 1.00 21.31 H new ATOM 0 HZ3 LYS A 60 4.520 -17.525 1.199 1.00 21.31 H new ATOM 1022 N ASP A 61 8.732 -11.320 1.467 1.00 32.34 N ATOM 1023 CA ASP A 61 9.570 -10.505 2.380 1.00 44.35 C ATOM 1024 C ASP A 61 9.600 -9.041 1.872 1.00 73.40 C ATOM 1025 O ASP A 61 9.052 -8.747 0.807 1.00 14.12 O ATOM 1026 CB ASP A 61 11.010 -11.116 2.450 1.00 43.12 C ATOM 1027 CG ASP A 61 11.850 -10.589 3.637 1.00 71.13 C ATOM 1028 OD1 ASP A 61 11.800 -11.196 4.731 1.00 1.32 O ATOM 1029 OD2 ASP A 61 12.550 -9.564 3.497 1.00 71.53 O ATOM 0 H ASP A 61 9.237 -11.664 0.650 1.00 32.34 H new ATOM 0 HA ASP A 61 9.151 -10.510 3.386 1.00 44.35 H new ATOM 0 HB2 ASP A 61 10.932 -12.201 2.524 1.00 43.12 H new ATOM 0 HB3 ASP A 61 11.534 -10.897 1.520 1.00 43.12 H new ATOM 1034 N ASP A 62 10.241 -8.136 2.640 1.00 72.12 N ATOM 1035 CA ASP A 62 10.457 -6.726 2.232 1.00 53.30 C ATOM 1036 C ASP A 62 11.368 -6.643 0.990 1.00 33.44 C ATOM 1037 O ASP A 62 11.302 -5.671 0.229 1.00 72.10 O ATOM 1038 CB ASP A 62 11.054 -5.902 3.393 1.00 31.01 C ATOM 1039 CG ASP A 62 11.165 -4.399 3.050 1.00 14.24 C ATOM 1040 OD1 ASP A 62 10.142 -3.696 3.120 1.00 1.14 O ATOM 1041 OD2 ASP A 62 12.262 -3.915 2.700 1.00 54.04 O ATOM 0 H ASP A 62 10.624 -8.358 3.559 1.00 72.12 H new ATOM 0 HA ASP A 62 9.487 -6.303 1.973 1.00 53.30 H new ATOM 0 HB2 ASP A 62 10.432 -6.025 4.280 1.00 31.01 H new ATOM 0 HB3 ASP A 62 12.042 -6.290 3.640 1.00 31.01 H new ATOM 1046 N ASP A 63 12.246 -7.651 0.839 1.00 65.21 N ATOM 1047 CA ASP A 63 13.011 -7.885 -0.407 1.00 61.14 C ATOM 1048 C ASP A 63 12.073 -8.001 -1.626 1.00 62.22 C ATOM 1049 O ASP A 63 12.276 -7.327 -2.635 1.00 50.40 O ATOM 1050 CB ASP A 63 13.906 -9.154 -0.291 1.00 20.34 C ATOM 1051 CG ASP A 63 15.147 -8.927 0.590 1.00 64.35 C ATOM 1052 OD1 ASP A 63 16.147 -8.367 0.085 1.00 14.51 O ATOM 1053 OD2 ASP A 63 15.124 -9.282 1.784 1.00 34.12 O ATOM 0 H ASP A 63 12.448 -8.328 1.575 1.00 65.21 H new ATOM 0 HA ASP A 63 13.660 -7.022 -0.555 1.00 61.14 H new ATOM 0 HB2 ASP A 63 13.317 -9.973 0.122 1.00 20.34 H new ATOM 0 HB3 ASP A 63 14.224 -9.462 -1.287 1.00 20.34 H new ATOM 1058 N ASP A 64 11.013 -8.822 -1.491 1.00 21.40 N ATOM 1059 CA ASP A 64 10.041 -9.099 -2.582 1.00 13.13 C ATOM 1060 C ASP A 64 9.121 -7.895 -2.822 1.00 5.21 C ATOM 1061 O ASP A 64 8.708 -7.627 -3.955 1.00 24.15 O ATOM 1062 CB ASP A 64 9.217 -10.371 -2.257 1.00 21.52 C ATOM 1063 CG ASP A 64 10.115 -11.605 -2.110 1.00 72.33 C ATOM 1064 OD1 ASP A 64 10.614 -11.854 -0.989 1.00 64.43 O ATOM 1065 OD2 ASP A 64 10.359 -12.303 -3.119 1.00 74.44 O ATOM 0 H ASP A 64 10.801 -9.315 -0.624 1.00 21.40 H new ATOM 0 HA ASP A 64 10.599 -9.275 -3.502 1.00 13.13 H new ATOM 0 HB2 ASP A 64 8.657 -10.216 -1.335 1.00 21.52 H new ATOM 0 HB3 ASP A 64 8.487 -10.544 -3.048 1.00 21.52 H new ATOM 1070 N ILE A 65 8.821 -7.188 -1.722 1.00 30.33 N ATOM 1071 CA ILE A 65 8.112 -5.900 -1.732 1.00 63.13 C ATOM 1072 C ILE A 65 8.911 -4.862 -2.552 1.00 51.00 C ATOM 1073 O ILE A 65 8.371 -4.214 -3.442 1.00 15.32 O ATOM 1074 CB ILE A 65 7.899 -5.385 -0.252 1.00 50.12 C ATOM 1075 CG1 ILE A 65 6.903 -6.311 0.515 1.00 44.53 C ATOM 1076 CG2 ILE A 65 7.446 -3.906 -0.198 1.00 4.23 C ATOM 1077 CD1 ILE A 65 6.759 -6.010 1.994 1.00 11.35 C ATOM 0 H ILE A 65 9.069 -7.501 -0.784 1.00 30.33 H new ATOM 0 HA ILE A 65 7.136 -6.037 -2.197 1.00 63.13 H new ATOM 0 HB ILE A 65 8.867 -5.430 0.246 1.00 50.12 H new ATOM 0 HG12 ILE A 65 5.922 -6.232 0.046 1.00 44.53 H new ATOM 0 HG13 ILE A 65 7.229 -7.345 0.400 1.00 44.53 H new ATOM 0 HG21 ILE A 65 7.314 -3.603 0.841 1.00 4.23 H new ATOM 0 HG22 ILE A 65 8.203 -3.276 -0.666 1.00 4.23 H new ATOM 0 HG23 ILE A 65 6.501 -3.795 -0.731 1.00 4.23 H new ATOM 0 HD11 ILE A 65 6.047 -6.705 2.439 1.00 11.35 H new ATOM 0 HD12 ILE A 65 7.727 -6.119 2.483 1.00 11.35 H new ATOM 0 HD13 ILE A 65 6.400 -4.989 2.124 1.00 11.35 H new ATOM 1089 N ASP A 66 10.214 -4.762 -2.252 1.00 62.11 N ATOM 1090 CA ASP A 66 11.135 -3.792 -2.880 1.00 24.32 C ATOM 1091 C ASP A 66 11.269 -4.053 -4.396 1.00 43.12 C ATOM 1092 O ASP A 66 11.316 -3.113 -5.196 1.00 32.21 O ATOM 1093 CB ASP A 66 12.521 -3.878 -2.180 1.00 14.31 C ATOM 1094 CG ASP A 66 13.382 -2.621 -2.384 1.00 25.10 C ATOM 1095 OD1 ASP A 66 14.020 -2.477 -3.448 1.00 12.31 O ATOM 1096 OD2 ASP A 66 13.415 -1.767 -1.467 1.00 0.35 O ATOM 0 H ASP A 66 10.667 -5.357 -1.559 1.00 62.11 H new ATOM 0 HA ASP A 66 10.730 -2.787 -2.758 1.00 24.32 H new ATOM 0 HB2 ASP A 66 12.372 -4.039 -1.112 1.00 14.31 H new ATOM 0 HB3 ASP A 66 13.060 -4.745 -2.561 1.00 14.31 H new ATOM 1101 N LYS A 67 11.290 -5.349 -4.760 1.00 3.54 N ATOM 1102 CA LYS A 67 11.350 -5.806 -6.164 1.00 25.34 C ATOM 1103 C LYS A 67 9.998 -5.556 -6.875 1.00 62.23 C ATOM 1104 O LYS A 67 9.958 -5.324 -8.088 1.00 74.50 O ATOM 1105 CB LYS A 67 11.748 -7.308 -6.234 1.00 1.34 C ATOM 1106 CG LYS A 67 13.172 -7.613 -5.699 1.00 21.13 C ATOM 1107 CD LYS A 67 13.550 -9.120 -5.773 1.00 33.14 C ATOM 1108 CE LYS A 67 12.644 -10.012 -4.904 1.00 71.22 C ATOM 1109 NZ LYS A 67 13.023 -11.451 -4.964 1.00 72.23 N ATOM 0 H LYS A 67 11.266 -6.114 -4.086 1.00 3.54 H new ATOM 0 HA LYS A 67 12.116 -5.230 -6.683 1.00 25.34 H new ATOM 0 HB2 LYS A 67 11.025 -7.891 -5.664 1.00 1.34 H new ATOM 0 HB3 LYS A 67 11.681 -7.642 -7.269 1.00 1.34 H new ATOM 0 HG2 LYS A 67 13.898 -7.035 -6.271 1.00 21.13 H new ATOM 0 HG3 LYS A 67 13.243 -7.279 -4.664 1.00 21.13 H new ATOM 0 HD2 LYS A 67 13.492 -9.453 -6.809 1.00 33.14 H new ATOM 0 HD3 LYS A 67 14.585 -9.245 -5.456 1.00 33.14 H new ATOM 0 HE2 LYS A 67 12.691 -9.671 -3.870 1.00 71.22 H new ATOM 0 HE3 LYS A 67 11.610 -9.899 -5.230 1.00 71.22 H new ATOM 0 HZ1 LYS A 67 12.341 -12.013 -4.416 1.00 72.23 H new ATOM 0 HZ2 LYS A 67 13.019 -11.770 -5.954 1.00 72.23 H new ATOM 0 HZ3 LYS A 67 13.975 -11.576 -4.564 1.00 72.23 H new ATOM 1123 N TRP A 68 8.904 -5.593 -6.089 1.00 21.14 N ATOM 1124 CA TRP A 68 7.534 -5.333 -6.578 1.00 53.45 C ATOM 1125 C TRP A 68 7.364 -3.840 -6.928 1.00 63.21 C ATOM 1126 O TRP A 68 6.628 -3.483 -7.849 1.00 0.31 O ATOM 1127 CB TRP A 68 6.500 -5.777 -5.502 1.00 34.21 C ATOM 1128 CG TRP A 68 5.079 -5.869 -5.988 1.00 50.13 C ATOM 1129 CD1 TRP A 68 4.460 -6.980 -6.474 1.00 21.43 C ATOM 1130 CD2 TRP A 68 4.098 -4.817 -6.031 1.00 15.42 C ATOM 1131 NE1 TRP A 68 3.167 -6.695 -6.805 1.00 23.42 N ATOM 1132 CE2 TRP A 68 2.922 -5.369 -6.557 1.00 63.43 C ATOM 1133 CE3 TRP A 68 4.105 -3.465 -5.678 1.00 13.22 C ATOM 1134 CZ2 TRP A 68 1.761 -4.618 -6.734 1.00 53.51 C ATOM 1135 CZ3 TRP A 68 2.956 -2.725 -5.848 1.00 23.22 C ATOM 1136 CH2 TRP A 68 1.799 -3.303 -6.378 1.00 12.21 C ATOM 0 H TRP A 68 8.945 -5.805 -5.092 1.00 21.14 H new ATOM 0 HA TRP A 68 7.360 -5.911 -7.485 1.00 53.45 H new ATOM 0 HB2 TRP A 68 6.799 -6.750 -5.112 1.00 34.21 H new ATOM 0 HB3 TRP A 68 6.539 -5.074 -4.670 1.00 34.21 H new ATOM 0 HD1 TRP A 68 4.926 -7.948 -6.582 1.00 21.43 H new ATOM 0 HE1 TRP A 68 2.491 -7.362 -7.177 1.00 23.42 H new ATOM 0 HE3 TRP A 68 4.998 -3.007 -5.278 1.00 13.22 H new ATOM 0 HZ2 TRP A 68 0.864 -5.062 -7.139 1.00 53.51 H new ATOM 0 HZ3 TRP A 68 2.949 -1.682 -5.567 1.00 23.22 H new ATOM 0 HH2 TRP A 68 0.916 -2.695 -6.508 1.00 12.21 H new ATOM 1147 N ILE A 69 8.042 -2.970 -6.171 1.00 60.54 N ATOM 1148 CA ILE A 69 8.087 -1.525 -6.454 1.00 75.23 C ATOM 1149 C ILE A 69 9.048 -1.256 -7.642 1.00 22.22 C ATOM 1150 O ILE A 69 8.763 -0.403 -8.493 1.00 60.32 O ATOM 1151 CB ILE A 69 8.485 -0.702 -5.147 1.00 73.11 C ATOM 1152 CG1 ILE A 69 7.236 -0.465 -4.225 1.00 44.33 C ATOM 1153 CG2 ILE A 69 9.174 0.646 -5.465 1.00 62.15 C ATOM 1154 CD1 ILE A 69 6.650 -1.700 -3.570 1.00 34.55 C ATOM 0 H ILE A 69 8.575 -3.244 -5.346 1.00 60.54 H new ATOM 0 HA ILE A 69 7.095 -1.180 -6.745 1.00 75.23 H new ATOM 0 HB ILE A 69 9.212 -1.316 -4.616 1.00 73.11 H new ATOM 0 HG12 ILE A 69 7.516 0.239 -3.442 1.00 44.33 H new ATOM 0 HG13 ILE A 69 6.456 0.012 -4.819 1.00 44.33 H new ATOM 0 HG21 ILE A 69 9.420 1.158 -4.534 1.00 62.15 H new ATOM 0 HG22 ILE A 69 10.088 0.463 -6.031 1.00 62.15 H new ATOM 0 HG23 ILE A 69 8.501 1.269 -6.054 1.00 62.15 H new ATOM 0 HD11 ILE A 69 5.794 -1.416 -2.958 1.00 34.55 H new ATOM 0 HD12 ILE A 69 6.329 -2.402 -4.339 1.00 34.55 H new ATOM 0 HD13 ILE A 69 7.405 -2.171 -2.941 1.00 34.55 H new ATOM 1166 N ASP A 70 10.149 -2.035 -7.704 1.00 51.15 N ATOM 1167 CA ASP A 70 11.172 -1.939 -8.770 1.00 11.10 C ATOM 1168 C ASP A 70 10.558 -2.133 -10.171 1.00 72.44 C ATOM 1169 O ASP A 70 10.897 -1.392 -11.105 1.00 42.40 O ATOM 1170 CB ASP A 70 12.310 -2.970 -8.522 1.00 14.35 C ATOM 1171 CG ASP A 70 13.319 -3.068 -9.686 1.00 10.32 C ATOM 1172 OD1 ASP A 70 14.138 -2.141 -9.857 1.00 25.42 O ATOM 1173 OD2 ASP A 70 13.288 -4.073 -10.433 1.00 1.13 O ATOM 0 H ASP A 70 10.355 -2.754 -7.011 1.00 51.15 H new ATOM 0 HA ASP A 70 11.593 -0.934 -8.736 1.00 11.10 H new ATOM 0 HB2 ASP A 70 12.844 -2.698 -7.611 1.00 14.35 H new ATOM 0 HB3 ASP A 70 11.869 -3.952 -8.351 1.00 14.35 H new ATOM 1178 N LYS A 71 9.653 -3.127 -10.302 1.00 24.54 N ATOM 1179 CA LYS A 71 8.988 -3.419 -11.582 1.00 33.23 C ATOM 1180 C LYS A 71 8.058 -2.262 -12.010 1.00 54.43 C ATOM 1181 O LYS A 71 7.998 -1.952 -13.185 1.00 22.34 O ATOM 1182 CB LYS A 71 8.213 -4.772 -11.550 1.00 22.24 C ATOM 1183 CG LYS A 71 6.983 -4.813 -10.612 1.00 31.04 C ATOM 1184 CD LYS A 71 6.147 -6.124 -10.662 1.00 41.11 C ATOM 1185 CE LYS A 71 6.877 -7.381 -10.138 1.00 64.22 C ATOM 1186 NZ LYS A 71 7.901 -7.895 -11.091 1.00 22.31 N ATOM 0 H LYS A 71 9.369 -3.738 -9.536 1.00 24.54 H new ATOM 0 HA LYS A 71 9.776 -3.516 -12.329 1.00 33.23 H new ATOM 0 HB2 LYS A 71 7.884 -5.006 -12.562 1.00 22.24 H new ATOM 0 HB3 LYS A 71 8.904 -5.559 -11.249 1.00 22.24 H new ATOM 0 HG2 LYS A 71 7.323 -4.658 -9.588 1.00 31.04 H new ATOM 0 HG3 LYS A 71 6.330 -3.976 -10.861 1.00 31.04 H new ATOM 0 HD2 LYS A 71 5.237 -5.980 -10.079 1.00 41.11 H new ATOM 0 HD3 LYS A 71 5.840 -6.303 -11.692 1.00 41.11 H new ATOM 0 HE2 LYS A 71 7.357 -7.147 -9.188 1.00 64.22 H new ATOM 0 HE3 LYS A 71 6.145 -8.165 -9.941 1.00 64.22 H new ATOM 0 HZ1 LYS A 71 7.804 -8.926 -11.182 1.00 22.31 H new ATOM 0 HZ2 LYS A 71 7.763 -7.451 -12.021 1.00 22.31 H new ATOM 0 HZ3 LYS A 71 8.851 -7.667 -10.736 1.00 22.31 H new ATOM 1200 N ILE A 72 7.369 -1.599 -11.042 1.00 2.03 N ATOM 1201 CA ILE A 72 6.441 -0.474 -11.358 1.00 33.21 C ATOM 1202 C ILE A 72 7.236 0.765 -11.823 1.00 23.11 C ATOM 1203 O ILE A 72 6.798 1.482 -12.711 1.00 3.33 O ATOM 1204 CB ILE A 72 5.501 -0.079 -10.149 1.00 24.02 C ATOM 1205 CG1 ILE A 72 4.620 -1.291 -9.712 1.00 11.41 C ATOM 1206 CG2 ILE A 72 4.601 1.146 -10.501 1.00 72.23 C ATOM 1207 CD1 ILE A 72 3.575 -0.960 -8.658 1.00 32.24 C ATOM 0 H ILE A 72 7.436 -1.819 -10.048 1.00 2.03 H new ATOM 0 HA ILE A 72 5.795 -0.829 -12.161 1.00 33.21 H new ATOM 0 HB ILE A 72 6.143 0.204 -9.315 1.00 24.02 H new ATOM 0 HG12 ILE A 72 4.117 -1.695 -10.591 1.00 11.41 H new ATOM 0 HG13 ILE A 72 5.270 -2.077 -9.328 1.00 11.41 H new ATOM 0 HG21 ILE A 72 3.968 1.390 -9.648 1.00 72.23 H new ATOM 0 HG22 ILE A 72 5.230 2.003 -10.742 1.00 72.23 H new ATOM 0 HG23 ILE A 72 3.975 0.903 -11.359 1.00 72.23 H new ATOM 0 HD11 ILE A 72 3.008 -1.858 -8.413 1.00 32.24 H new ATOM 0 HD12 ILE A 72 4.069 -0.586 -7.761 1.00 32.24 H new ATOM 0 HD13 ILE A 72 2.898 -0.198 -9.044 1.00 32.24 H new ATOM 1219 N LYS A 73 8.418 0.984 -11.221 1.00 64.52 N ATOM 1220 CA LYS A 73 9.322 2.086 -11.620 1.00 32.14 C ATOM 1221 C LYS A 73 9.937 1.808 -13.008 1.00 14.20 C ATOM 1222 O LYS A 73 10.307 2.737 -13.727 1.00 21.21 O ATOM 1223 CB LYS A 73 10.446 2.279 -10.571 1.00 10.51 C ATOM 1224 CG LYS A 73 9.937 2.599 -9.147 1.00 2.45 C ATOM 1225 CD LYS A 73 11.086 2.851 -8.139 1.00 74.45 C ATOM 1226 CE LYS A 73 12.052 1.654 -8.019 1.00 34.13 C ATOM 1227 NZ LYS A 73 13.135 1.901 -7.028 1.00 0.02 N ATOM 0 H LYS A 73 8.774 0.413 -10.454 1.00 64.52 H new ATOM 0 HA LYS A 73 8.734 3.002 -11.674 1.00 32.14 H new ATOM 0 HB2 LYS A 73 11.051 1.373 -10.533 1.00 10.51 H new ATOM 0 HB3 LYS A 73 11.100 3.086 -10.901 1.00 10.51 H new ATOM 0 HG2 LYS A 73 9.295 3.479 -9.185 1.00 2.45 H new ATOM 0 HG3 LYS A 73 9.323 1.771 -8.791 1.00 2.45 H new ATOM 0 HD2 LYS A 73 11.646 3.734 -8.447 1.00 74.45 H new ATOM 0 HD3 LYS A 73 10.662 3.069 -7.159 1.00 74.45 H new ATOM 0 HE2 LYS A 73 11.492 0.765 -7.728 1.00 34.13 H new ATOM 0 HE3 LYS A 73 12.494 1.447 -8.994 1.00 34.13 H new ATOM 0 HZ1 LYS A 73 13.759 1.070 -6.981 1.00 0.02 H new ATOM 0 HZ2 LYS A 73 13.687 2.733 -7.318 1.00 0.02 H new ATOM 0 HZ3 LYS A 73 12.716 2.072 -6.092 1.00 0.02 H new ATOM 1241 N LYS A 74 10.064 0.512 -13.348 1.00 30.21 N ATOM 1242 CA LYS A 74 10.625 0.048 -14.630 1.00 61.42 C ATOM 1243 C LYS A 74 9.593 0.149 -15.772 1.00 53.20 C ATOM 1244 O LYS A 74 9.924 0.587 -16.885 1.00 25.41 O ATOM 1245 CB LYS A 74 11.125 -1.412 -14.444 1.00 51.04 C ATOM 1246 CG LYS A 74 11.940 -2.000 -15.617 1.00 34.45 C ATOM 1247 CD LYS A 74 12.592 -3.378 -15.301 1.00 74.52 C ATOM 1248 CE LYS A 74 13.817 -3.311 -14.351 1.00 33.21 C ATOM 1249 NZ LYS A 74 13.498 -2.836 -12.970 1.00 72.53 N ATOM 0 H LYS A 74 9.777 -0.250 -12.734 1.00 30.21 H new ATOM 0 HA LYS A 74 11.459 0.689 -14.915 1.00 61.42 H new ATOM 0 HB2 LYS A 74 11.738 -1.454 -13.544 1.00 51.04 H new ATOM 0 HB3 LYS A 74 10.260 -2.052 -14.271 1.00 51.04 H new ATOM 0 HG2 LYS A 74 11.287 -2.108 -16.483 1.00 34.45 H new ATOM 0 HG3 LYS A 74 12.722 -1.293 -15.894 1.00 34.45 H new ATOM 0 HD2 LYS A 74 11.839 -4.028 -14.856 1.00 74.52 H new ATOM 0 HD3 LYS A 74 12.900 -3.843 -16.238 1.00 74.52 H new ATOM 0 HE2 LYS A 74 14.267 -4.302 -14.287 1.00 33.21 H new ATOM 0 HE3 LYS A 74 14.565 -2.648 -14.787 1.00 33.21 H new ATOM 0 HZ1 LYS A 74 14.077 -3.357 -12.281 1.00 72.53 H new ATOM 0 HZ2 LYS A 74 13.704 -1.819 -12.896 1.00 72.53 H new ATOM 0 HZ3 LYS A 74 12.491 -3.001 -12.770 1.00 72.53 H new ATOM 1263 N GLU A 75 8.340 -0.245 -15.486 1.00 10.03 N ATOM 1264 CA GLU A 75 7.251 -0.273 -16.485 1.00 71.42 C ATOM 1265 C GLU A 75 6.624 1.129 -16.634 1.00 73.04 C ATOM 1266 O GLU A 75 6.308 1.567 -17.746 1.00 72.40 O ATOM 1267 CB GLU A 75 6.166 -1.307 -16.074 1.00 34.52 C ATOM 1268 CG GLU A 75 6.678 -2.755 -15.867 1.00 74.44 C ATOM 1269 CD GLU A 75 7.305 -3.389 -17.120 1.00 63.40 C ATOM 1270 OE1 GLU A 75 6.548 -3.923 -17.967 1.00 30.12 O ATOM 1271 OE2 GLU A 75 8.550 -3.375 -17.251 1.00 73.32 O ATOM 0 H GLU A 75 8.051 -0.553 -14.558 1.00 10.03 H new ATOM 0 HA GLU A 75 7.670 -0.572 -17.446 1.00 71.42 H new ATOM 0 HB2 GLU A 75 5.697 -0.969 -15.150 1.00 34.52 H new ATOM 0 HB3 GLU A 75 5.390 -1.319 -16.840 1.00 34.52 H new ATOM 0 HG2 GLU A 75 7.416 -2.756 -15.065 1.00 74.44 H new ATOM 0 HG3 GLU A 75 5.847 -3.378 -15.536 1.00 74.44 H new ATOM 1278 N ARG A 76 6.461 1.819 -15.489 1.00 2.10 N ATOM 1279 CA ARG A 76 5.906 3.186 -15.422 1.00 34.23 C ATOM 1280 C ARG A 76 6.823 4.117 -14.586 1.00 23.03 C ATOM 1281 O ARG A 76 6.604 4.311 -13.383 1.00 61.04 O ATOM 1282 CB ARG A 76 4.443 3.167 -14.865 1.00 24.11 C ATOM 1283 CG ARG A 76 3.382 2.737 -15.900 1.00 34.41 C ATOM 1284 CD ARG A 76 1.954 2.690 -15.330 1.00 71.34 C ATOM 1285 NE ARG A 76 0.955 2.548 -16.409 1.00 4.14 N ATOM 1286 CZ ARG A 76 -0.318 2.142 -16.257 1.00 10.12 C ATOM 1287 NH1 ARG A 76 -0.798 1.797 -15.063 1.00 42.10 N ATOM 1288 NH2 ARG A 76 -1.121 2.128 -17.313 1.00 15.12 N ATOM 0 H ARG A 76 6.713 1.440 -14.576 1.00 2.10 H new ATOM 0 HA ARG A 76 5.867 3.588 -16.434 1.00 34.23 H new ATOM 0 HB2 ARG A 76 4.399 2.490 -14.012 1.00 24.11 H new ATOM 0 HB3 ARG A 76 4.193 4.162 -14.496 1.00 24.11 H new ATOM 0 HG2 ARG A 76 3.406 3.428 -16.742 1.00 34.41 H new ATOM 0 HG3 ARG A 76 3.643 1.752 -16.288 1.00 34.41 H new ATOM 0 HD2 ARG A 76 1.864 1.855 -14.635 1.00 71.34 H new ATOM 0 HD3 ARG A 76 1.755 3.600 -14.763 1.00 71.34 H new ATOM 0 HE ARG A 76 1.258 2.779 -17.355 1.00 4.14 H new ATOM 0 HH11 ARG A 76 -0.196 1.838 -14.240 1.00 42.10 H new ATOM 0 HH12 ARG A 76 -1.767 1.492 -14.972 1.00 42.10 H new ATOM 0 HH21 ARG A 76 -0.770 2.423 -18.224 1.00 15.12 H new ATOM 0 HH22 ARG A 76 -2.089 1.823 -17.214 1.00 15.12 H new ATOM 1302 N PRO A 77 7.902 4.697 -15.220 1.00 42.14 N ATOM 1303 CA PRO A 77 8.680 5.819 -14.629 1.00 60.41 C ATOM 1304 C PRO A 77 7.897 7.155 -14.657 1.00 11.24 C ATOM 1305 O PRO A 77 8.352 8.166 -14.106 1.00 35.11 O ATOM 1306 CB PRO A 77 9.960 5.894 -15.521 1.00 43.42 C ATOM 1307 CG PRO A 77 9.929 4.663 -16.392 1.00 61.25 C ATOM 1308 CD PRO A 77 8.477 4.283 -16.524 1.00 11.35 C ATOM 0 HA PRO A 77 8.903 5.652 -13.575 1.00 60.41 H new ATOM 0 HB2 PRO A 77 9.962 6.801 -16.126 1.00 43.42 H new ATOM 0 HB3 PRO A 77 10.862 5.917 -14.909 1.00 43.42 H new ATOM 0 HG2 PRO A 77 10.370 4.865 -17.368 1.00 61.25 H new ATOM 0 HG3 PRO A 77 10.505 3.853 -15.944 1.00 61.25 H new ATOM 0 HD2 PRO A 77 7.999 4.798 -17.357 1.00 11.35 H new ATOM 0 HD3 PRO A 77 8.354 3.214 -16.698 1.00 11.35 H new ATOM 1316 N GLN A 78 6.712 7.135 -15.309 1.00 53.23 N ATOM 1317 CA GLN A 78 5.824 8.308 -15.461 1.00 2.35 C ATOM 1318 C GLN A 78 5.154 8.740 -14.137 1.00 70.21 C ATOM 1319 O GLN A 78 4.475 9.775 -14.087 1.00 25.10 O ATOM 1320 CB GLN A 78 4.741 8.004 -16.530 1.00 54.00 C ATOM 1321 CG GLN A 78 3.717 6.923 -16.128 1.00 0.10 C ATOM 1322 CD GLN A 78 2.653 6.685 -17.198 1.00 53.32 C ATOM 1323 OE1 GLN A 78 1.633 7.366 -17.232 1.00 3.10 O ATOM 1324 NE2 GLN A 78 2.867 5.710 -18.068 1.00 24.41 N ATOM 0 H GLN A 78 6.342 6.293 -15.749 1.00 53.23 H new ATOM 0 HA GLN A 78 6.449 9.143 -15.779 1.00 2.35 H new ATOM 0 HB2 GLN A 78 4.205 8.926 -16.755 1.00 54.00 H new ATOM 0 HB3 GLN A 78 5.236 7.691 -17.449 1.00 54.00 H new ATOM 0 HG2 GLN A 78 4.242 5.988 -15.930 1.00 0.10 H new ATOM 0 HG3 GLN A 78 3.231 7.218 -15.198 1.00 0.10 H new ATOM 0 HE21 GLN A 78 3.724 5.160 -18.016 1.00 24.41 H new ATOM 0 HE22 GLN A 78 2.175 5.509 -18.790 1.00 24.41 H new ATOM 1333 N LEU A 79 5.336 7.932 -13.082 1.00 41.14 N ATOM 1334 CA LEU A 79 4.805 8.200 -11.740 1.00 33.03 C ATOM 1335 C LEU A 79 5.838 7.776 -10.678 1.00 73.42 C ATOM 1336 O LEU A 79 6.594 6.813 -10.884 1.00 13.52 O ATOM 1337 CB LEU A 79 3.405 7.505 -11.552 1.00 15.34 C ATOM 1338 CG LEU A 79 3.223 6.043 -12.126 1.00 63.24 C ATOM 1339 CD1 LEU A 79 3.953 4.966 -11.293 1.00 3.30 C ATOM 1340 CD2 LEU A 79 1.725 5.688 -12.288 1.00 44.10 C ATOM 0 H LEU A 79 5.864 7.061 -13.140 1.00 41.14 H new ATOM 0 HA LEU A 79 4.635 9.269 -11.614 1.00 33.03 H new ATOM 0 HB2 LEU A 79 3.187 7.475 -10.484 1.00 15.34 H new ATOM 0 HB3 LEU A 79 2.650 8.142 -12.014 1.00 15.34 H new ATOM 0 HG LEU A 79 3.692 6.045 -13.110 1.00 63.24 H new ATOM 0 HD11 LEU A 79 3.788 3.986 -11.741 1.00 3.30 H new ATOM 0 HD12 LEU A 79 5.021 5.182 -11.276 1.00 3.30 H new ATOM 0 HD13 LEU A 79 3.566 4.970 -10.274 1.00 3.30 H new ATOM 0 HD21 LEU A 79 1.631 4.677 -12.684 1.00 44.10 H new ATOM 0 HD22 LEU A 79 1.231 5.745 -11.318 1.00 44.10 H new ATOM 0 HD23 LEU A 79 1.257 6.392 -12.976 1.00 44.10 H new ATOM 1352 N GLU A 80 5.907 8.543 -9.575 1.00 52.31 N ATOM 1353 CA GLU A 80 6.738 8.195 -8.412 1.00 13.11 C ATOM 1354 C GLU A 80 6.051 7.087 -7.608 1.00 75.23 C ATOM 1355 O GLU A 80 4.826 7.058 -7.511 1.00 60.13 O ATOM 1356 CB GLU A 80 6.966 9.416 -7.497 1.00 41.15 C ATOM 1357 CG GLU A 80 7.728 10.590 -8.128 1.00 1.55 C ATOM 1358 CD GLU A 80 7.990 11.712 -7.113 1.00 64.22 C ATOM 1359 OE1 GLU A 80 9.011 11.653 -6.392 1.00 55.40 O ATOM 1360 OE2 GLU A 80 7.157 12.638 -7.002 1.00 32.33 O ATOM 0 H GLU A 80 5.391 9.416 -9.466 1.00 52.31 H new ATOM 0 HA GLU A 80 7.706 7.854 -8.778 1.00 13.11 H new ATOM 0 HB2 GLU A 80 5.996 9.778 -7.157 1.00 41.15 H new ATOM 0 HB3 GLU A 80 7.511 9.087 -6.612 1.00 41.15 H new ATOM 0 HG2 GLU A 80 8.677 10.234 -8.529 1.00 1.55 H new ATOM 0 HG3 GLU A 80 7.156 10.986 -8.967 1.00 1.55 H new ATOM 1367 N VAL A 81 6.853 6.181 -7.041 1.00 62.14 N ATOM 1368 CA VAL A 81 6.350 5.072 -6.214 1.00 21.33 C ATOM 1369 C VAL A 81 6.957 5.177 -4.803 1.00 11.05 C ATOM 1370 O VAL A 81 8.181 5.216 -4.652 1.00 25.14 O ATOM 1371 CB VAL A 81 6.694 3.676 -6.861 1.00 5.33 C ATOM 1372 CG1 VAL A 81 6.005 2.531 -6.091 1.00 31.11 C ATOM 1373 CG2 VAL A 81 6.316 3.643 -8.365 1.00 54.01 C ATOM 0 H VAL A 81 7.868 6.193 -7.140 1.00 62.14 H new ATOM 0 HA VAL A 81 5.264 5.145 -6.151 1.00 21.33 H new ATOM 0 HB VAL A 81 7.772 3.532 -6.790 1.00 5.33 H new ATOM 0 HG11 VAL A 81 6.257 1.577 -6.555 1.00 31.11 H new ATOM 0 HG12 VAL A 81 6.346 2.532 -5.056 1.00 31.11 H new ATOM 0 HG13 VAL A 81 4.925 2.673 -6.117 1.00 31.11 H new ATOM 0 HG21 VAL A 81 6.566 2.667 -8.782 1.00 54.01 H new ATOM 0 HG22 VAL A 81 5.246 3.822 -8.475 1.00 54.01 H new ATOM 0 HG23 VAL A 81 6.870 4.417 -8.896 1.00 54.01 H new ATOM 1383 N ARG A 82 6.092 5.234 -3.776 1.00 71.45 N ATOM 1384 CA ARG A 82 6.504 5.352 -2.362 1.00 62.13 C ATOM 1385 C ARG A 82 6.215 4.031 -1.633 1.00 21.34 C ATOM 1386 O ARG A 82 5.129 3.478 -1.773 1.00 31.45 O ATOM 1387 CB ARG A 82 5.743 6.538 -1.698 1.00 52.13 C ATOM 1388 CG ARG A 82 5.971 6.740 -0.174 1.00 62.42 C ATOM 1389 CD ARG A 82 7.448 6.947 0.203 1.00 70.41 C ATOM 1390 NE ARG A 82 8.075 8.021 -0.583 1.00 52.25 N ATOM 1391 CZ ARG A 82 9.383 8.109 -0.879 1.00 63.31 C ATOM 1392 NH1 ARG A 82 10.248 7.200 -0.444 1.00 43.42 N ATOM 1393 NH2 ARG A 82 9.814 9.109 -1.630 1.00 1.21 N ATOM 0 H ARG A 82 5.080 5.199 -3.902 1.00 71.45 H new ATOM 0 HA ARG A 82 7.574 5.552 -2.299 1.00 62.13 H new ATOM 0 HB2 ARG A 82 6.028 7.457 -2.211 1.00 52.13 H new ATOM 0 HB3 ARG A 82 4.676 6.397 -1.868 1.00 52.13 H new ATOM 0 HG2 ARG A 82 5.395 7.602 0.160 1.00 62.42 H new ATOM 0 HG3 ARG A 82 5.586 5.872 0.361 1.00 62.42 H new ATOM 0 HD2 ARG A 82 7.521 7.185 1.264 1.00 70.41 H new ATOM 0 HD3 ARG A 82 7.995 6.017 0.047 1.00 70.41 H new ATOM 0 HE ARG A 82 7.466 8.761 -0.933 1.00 52.25 H new ATOM 0 HH11 ARG A 82 9.923 6.418 0.125 1.00 43.42 H new ATOM 0 HH12 ARG A 82 11.237 7.284 -0.679 1.00 43.42 H new ATOM 0 HH21 ARG A 82 9.155 9.805 -1.979 1.00 1.21 H new ATOM 0 HH22 ARG A 82 10.805 9.184 -1.860 1.00 1.21 H new ATOM 1407 N LYS A 83 7.202 3.535 -0.861 1.00 62.50 N ATOM 1408 CA LYS A 83 7.041 2.340 -0.008 1.00 70.22 C ATOM 1409 C LYS A 83 6.686 2.792 1.407 1.00 54.33 C ATOM 1410 O LYS A 83 7.428 3.562 2.023 1.00 52.34 O ATOM 1411 CB LYS A 83 8.330 1.446 0.000 1.00 15.32 C ATOM 1412 CG LYS A 83 8.136 0.069 -0.668 1.00 63.02 C ATOM 1413 CD LYS A 83 9.413 -0.806 -0.676 1.00 31.13 C ATOM 1414 CE LYS A 83 9.885 -1.217 0.729 1.00 53.00 C ATOM 1415 NZ LYS A 83 11.100 -2.084 0.675 1.00 31.23 N ATOM 0 H LYS A 83 8.132 3.951 -0.811 1.00 62.50 H new ATOM 0 HA LYS A 83 6.238 1.725 -0.415 1.00 70.22 H new ATOM 0 HB2 LYS A 83 9.133 1.978 -0.511 1.00 15.32 H new ATOM 0 HB3 LYS A 83 8.652 1.297 1.031 1.00 15.32 H new ATOM 0 HG2 LYS A 83 7.342 -0.468 -0.149 1.00 63.02 H new ATOM 0 HG3 LYS A 83 7.802 0.217 -1.695 1.00 63.02 H new ATOM 0 HD2 LYS A 83 9.225 -1.704 -1.264 1.00 31.13 H new ATOM 0 HD3 LYS A 83 10.214 -0.261 -1.175 1.00 31.13 H new ATOM 0 HE2 LYS A 83 10.102 -0.324 1.315 1.00 53.00 H new ATOM 0 HE3 LYS A 83 9.082 -1.748 1.241 1.00 53.00 H new ATOM 0 HZ1 LYS A 83 11.506 -2.173 1.629 1.00 31.23 H new ATOM 0 HZ2 LYS A 83 10.839 -3.026 0.320 1.00 31.23 H new ATOM 0 HZ3 LYS A 83 11.803 -1.657 0.038 1.00 31.23 H new ATOM 1429 N VAL A 84 5.529 2.327 1.881 1.00 63.05 N ATOM 1430 CA VAL A 84 5.030 2.591 3.234 1.00 71.40 C ATOM 1431 C VAL A 84 4.814 1.243 3.927 1.00 43.32 C ATOM 1432 O VAL A 84 3.749 0.650 3.842 1.00 3.41 O ATOM 1433 CB VAL A 84 3.688 3.416 3.165 1.00 23.52 C ATOM 1434 CG1 VAL A 84 3.027 3.587 4.551 1.00 4.44 C ATOM 1435 CG2 VAL A 84 3.914 4.782 2.482 1.00 23.14 C ATOM 0 H VAL A 84 4.900 1.746 1.326 1.00 63.05 H new ATOM 0 HA VAL A 84 5.748 3.183 3.801 1.00 71.40 H new ATOM 0 HB VAL A 84 2.992 2.839 2.556 1.00 23.52 H new ATOM 0 HG11 VAL A 84 2.107 4.162 4.447 1.00 4.44 H new ATOM 0 HG12 VAL A 84 2.797 2.606 4.968 1.00 4.44 H new ATOM 0 HG13 VAL A 84 3.710 4.113 5.218 1.00 4.44 H new ATOM 0 HG21 VAL A 84 2.973 5.331 2.447 1.00 23.14 H new ATOM 0 HG22 VAL A 84 4.648 5.355 3.049 1.00 23.14 H new ATOM 0 HG23 VAL A 84 4.281 4.625 1.468 1.00 23.14 H new ATOM 1445 N THR A 85 5.855 0.754 4.591 1.00 12.52 N ATOM 1446 CA THR A 85 5.835 -0.558 5.262 1.00 61.43 C ATOM 1447 C THR A 85 5.384 -0.430 6.725 1.00 0.22 C ATOM 1448 O THR A 85 4.846 -1.380 7.309 1.00 34.43 O ATOM 1449 CB THR A 85 7.247 -1.227 5.173 1.00 63.13 C ATOM 1450 OG1 THR A 85 8.274 -0.274 5.519 1.00 64.15 O ATOM 1451 CG2 THR A 85 7.530 -1.775 3.763 1.00 31.02 C ATOM 0 H THR A 85 6.741 1.250 4.684 1.00 12.52 H new ATOM 0 HA THR A 85 5.112 -1.193 4.750 1.00 61.43 H new ATOM 0 HB THR A 85 7.255 -2.059 5.877 1.00 63.13 H new ATOM 0 HG1 THR A 85 8.280 -0.137 6.489 1.00 64.15 H new ATOM 0 HG21 THR A 85 8.520 -2.232 3.742 1.00 31.02 H new ATOM 0 HG22 THR A 85 6.780 -2.523 3.506 1.00 31.02 H new ATOM 0 HG23 THR A 85 7.491 -0.959 3.041 1.00 31.02 H new ATOM 1459 N ASP A 86 5.593 0.767 7.285 1.00 71.02 N ATOM 1460 CA ASP A 86 5.339 1.068 8.697 1.00 11.55 C ATOM 1461 C ASP A 86 4.262 2.155 8.820 1.00 20.20 C ATOM 1462 O ASP A 86 4.064 2.958 7.899 1.00 64.34 O ATOM 1463 CB ASP A 86 6.657 1.524 9.369 1.00 34.34 C ATOM 1464 CG ASP A 86 7.754 0.439 9.388 1.00 31.55 C ATOM 1465 OD1 ASP A 86 8.537 0.346 8.416 1.00 53.42 O ATOM 1466 OD2 ASP A 86 7.838 -0.333 10.373 1.00 24.22 O ATOM 0 H ASP A 86 5.949 1.566 6.761 1.00 71.02 H new ATOM 0 HA ASP A 86 4.976 0.172 9.201 1.00 11.55 H new ATOM 0 HB2 ASP A 86 7.036 2.402 8.846 1.00 34.34 H new ATOM 0 HB3 ASP A 86 6.445 1.831 10.393 1.00 34.34 H new ATOM 1471 N GLU A 87 3.582 2.148 9.980 1.00 43.43 N ATOM 1472 CA GLU A 87 2.489 3.078 10.315 1.00 52.43 C ATOM 1473 C GLU A 87 2.922 4.555 10.247 1.00 54.41 C ATOM 1474 O GLU A 87 2.182 5.381 9.705 1.00 11.01 O ATOM 1475 CB GLU A 87 1.960 2.759 11.732 1.00 34.24 C ATOM 1476 CG GLU A 87 0.831 3.684 12.224 1.00 62.32 C ATOM 1477 CD GLU A 87 0.503 3.480 13.706 1.00 52.43 C ATOM 1478 OE1 GLU A 87 -0.304 2.581 14.029 1.00 13.41 O ATOM 1479 OE2 GLU A 87 1.076 4.197 14.557 1.00 50.25 O ATOM 0 H GLU A 87 3.781 1.482 10.726 1.00 43.43 H new ATOM 0 HA GLU A 87 1.705 2.938 9.571 1.00 52.43 H new ATOM 0 HB2 GLU A 87 1.600 1.730 11.747 1.00 34.24 H new ATOM 0 HB3 GLU A 87 2.790 2.816 12.436 1.00 34.24 H new ATOM 0 HG2 GLU A 87 1.120 4.722 12.060 1.00 62.32 H new ATOM 0 HG3 GLU A 87 -0.065 3.505 11.630 1.00 62.32 H new ATOM 1486 N ASP A 88 4.113 4.871 10.811 1.00 11.41 N ATOM 1487 CA ASP A 88 4.632 6.261 10.876 1.00 34.24 C ATOM 1488 C ASP A 88 4.749 6.884 9.470 1.00 63.22 C ATOM 1489 O ASP A 88 4.431 8.054 9.288 1.00 64.20 O ATOM 1490 CB ASP A 88 6.001 6.322 11.627 1.00 24.42 C ATOM 1491 CG ASP A 88 7.210 5.765 10.837 1.00 12.51 C ATOM 1492 OD1 ASP A 88 7.115 4.631 10.317 1.00 42.20 O ATOM 1493 OD2 ASP A 88 8.245 6.463 10.715 1.00 73.15 O ATOM 0 H ASP A 88 4.735 4.179 11.229 1.00 11.41 H new ATOM 0 HA ASP A 88 3.912 6.850 11.444 1.00 34.24 H new ATOM 0 HB2 ASP A 88 6.207 7.359 11.891 1.00 24.42 H new ATOM 0 HB3 ASP A 88 5.910 5.767 12.561 1.00 24.42 H new ATOM 1498 N GLN A 89 5.159 6.061 8.481 1.00 51.42 N ATOM 1499 CA GLN A 89 5.256 6.480 7.072 1.00 45.21 C ATOM 1500 C GLN A 89 3.861 6.862 6.524 1.00 54.11 C ATOM 1501 O GLN A 89 3.722 7.863 5.827 1.00 52.11 O ATOM 1502 CB GLN A 89 5.871 5.349 6.207 1.00 0.01 C ATOM 1503 CG GLN A 89 7.277 4.883 6.633 1.00 41.21 C ATOM 1504 CD GLN A 89 7.814 3.749 5.752 1.00 22.03 C ATOM 1505 OE1 GLN A 89 7.609 2.573 6.042 1.00 25.14 O ATOM 1506 NE2 GLN A 89 8.485 4.087 4.661 1.00 64.22 N ATOM 0 H GLN A 89 5.431 5.091 8.639 1.00 51.42 H new ATOM 0 HA GLN A 89 5.907 7.353 7.021 1.00 45.21 H new ATOM 0 HB2 GLN A 89 5.199 4.491 6.230 1.00 0.01 H new ATOM 0 HB3 GLN A 89 5.917 5.690 5.173 1.00 0.01 H new ATOM 0 HG2 GLN A 89 7.964 5.728 6.590 1.00 41.21 H new ATOM 0 HG3 GLN A 89 7.246 4.549 7.670 1.00 41.21 H new ATOM 0 HE21 GLN A 89 8.642 5.071 4.443 1.00 64.22 H new ATOM 0 HE22 GLN A 89 8.845 3.363 4.039 1.00 64.22 H new ATOM 1515 N ALA A 90 2.843 6.056 6.895 1.00 33.51 N ATOM 1516 CA ALA A 90 1.443 6.247 6.455 1.00 63.53 C ATOM 1517 C ALA A 90 0.820 7.520 7.057 1.00 60.12 C ATOM 1518 O ALA A 90 -0.072 8.127 6.457 1.00 54.03 O ATOM 1519 CB ALA A 90 0.605 5.006 6.805 1.00 4.44 C ATOM 0 H ALA A 90 2.969 5.252 7.510 1.00 33.51 H new ATOM 0 HA ALA A 90 1.447 6.376 5.373 1.00 63.53 H new ATOM 0 HB1 ALA A 90 -0.423 5.157 6.477 1.00 4.44 H new ATOM 0 HB2 ALA A 90 1.021 4.132 6.303 1.00 4.44 H new ATOM 0 HB3 ALA A 90 0.622 4.848 7.883 1.00 4.44 H new ATOM 1525 N LYS A 91 1.298 7.896 8.252 1.00 64.31 N ATOM 1526 CA LYS A 91 0.862 9.116 8.954 1.00 22.15 C ATOM 1527 C LYS A 91 1.543 10.380 8.385 1.00 62.31 C ATOM 1528 O LYS A 91 0.930 11.451 8.346 1.00 42.32 O ATOM 1529 CB LYS A 91 1.157 8.981 10.469 1.00 31.12 C ATOM 1530 CG LYS A 91 0.390 7.829 11.162 1.00 13.12 C ATOM 1531 CD LYS A 91 0.753 7.674 12.658 1.00 52.44 C ATOM 1532 CE LYS A 91 0.498 8.950 13.483 1.00 73.31 C ATOM 1533 NZ LYS A 91 0.829 8.754 14.919 1.00 4.13 N ATOM 0 H LYS A 91 2.001 7.361 8.762 1.00 64.31 H new ATOM 0 HA LYS A 91 -0.211 9.228 8.800 1.00 22.15 H new ATOM 0 HB2 LYS A 91 2.227 8.826 10.607 1.00 31.12 H new ATOM 0 HB3 LYS A 91 0.905 9.920 10.962 1.00 31.12 H new ATOM 0 HG2 LYS A 91 -0.682 8.007 11.071 1.00 13.12 H new ATOM 0 HG3 LYS A 91 0.603 6.894 10.643 1.00 13.12 H new ATOM 0 HD2 LYS A 91 0.174 6.854 13.082 1.00 52.44 H new ATOM 0 HD3 LYS A 91 1.804 7.399 12.743 1.00 52.44 H new ATOM 0 HE2 LYS A 91 1.095 9.768 13.081 1.00 73.31 H new ATOM 0 HE3 LYS A 91 -0.548 9.242 13.388 1.00 73.31 H new ATOM 0 HZ1 LYS A 91 0.644 9.634 15.441 1.00 4.13 H new ATOM 0 HZ2 LYS A 91 0.241 7.990 15.310 1.00 4.13 H new ATOM 0 HZ3 LYS A 91 1.833 8.500 15.012 1.00 4.13 H new ATOM 1547 N GLN A 92 2.812 10.249 7.950 1.00 23.15 N ATOM 1548 CA GLN A 92 3.603 11.391 7.443 1.00 15.41 C ATOM 1549 C GLN A 92 3.217 11.745 5.994 1.00 21.53 C ATOM 1550 O GLN A 92 3.213 12.929 5.622 1.00 51.14 O ATOM 1551 CB GLN A 92 5.127 11.103 7.551 1.00 32.33 C ATOM 1552 CG GLN A 92 5.659 10.914 8.989 1.00 72.21 C ATOM 1553 CD GLN A 92 5.373 12.081 9.942 1.00 22.42 C ATOM 1554 OE1 GLN A 92 5.152 11.881 11.137 1.00 52.40 O ATOM 1555 NE2 GLN A 92 5.446 13.310 9.453 1.00 64.15 N ATOM 0 H GLN A 92 3.314 9.361 7.939 1.00 23.15 H new ATOM 0 HA GLN A 92 3.372 12.253 8.069 1.00 15.41 H new ATOM 0 HB2 GLN A 92 5.353 10.205 6.976 1.00 32.33 H new ATOM 0 HB3 GLN A 92 5.670 11.925 7.085 1.00 32.33 H new ATOM 0 HG2 GLN A 92 5.221 10.007 9.407 1.00 72.21 H new ATOM 0 HG3 GLN A 92 6.737 10.756 8.944 1.00 72.21 H new ATOM 0 HE21 GLN A 92 5.630 13.454 8.460 1.00 64.15 H new ATOM 0 HE22 GLN A 92 5.318 14.113 10.069 1.00 64.15 H new ATOM 1564 N ILE A 93 2.912 10.712 5.173 1.00 61.31 N ATOM 1565 CA ILE A 93 2.444 10.925 3.786 1.00 25.31 C ATOM 1566 C ILE A 93 1.106 11.697 3.746 1.00 14.41 C ATOM 1567 O ILE A 93 0.839 12.415 2.783 1.00 65.14 O ATOM 1568 CB ILE A 93 2.353 9.604 2.931 1.00 73.42 C ATOM 1569 CG1 ILE A 93 1.364 8.597 3.572 1.00 23.25 C ATOM 1570 CG2 ILE A 93 3.758 8.978 2.720 1.00 32.33 C ATOM 1571 CD1 ILE A 93 1.241 7.269 2.851 1.00 43.04 C ATOM 0 H ILE A 93 2.981 9.732 5.446 1.00 61.31 H new ATOM 0 HA ILE A 93 3.215 11.537 3.317 1.00 25.31 H new ATOM 0 HB ILE A 93 1.963 9.862 1.946 1.00 73.42 H new ATOM 0 HG12 ILE A 93 1.677 8.408 4.599 1.00 23.25 H new ATOM 0 HG13 ILE A 93 0.378 9.060 3.619 1.00 23.25 H new ATOM 0 HG21 ILE A 93 3.666 8.068 2.127 1.00 32.33 H new ATOM 0 HG22 ILE A 93 4.398 9.689 2.197 1.00 32.33 H new ATOM 0 HG23 ILE A 93 4.198 8.737 3.688 1.00 32.33 H new ATOM 0 HD11 ILE A 93 0.527 6.635 3.376 1.00 43.04 H new ATOM 0 HD12 ILE A 93 0.894 7.439 1.832 1.00 43.04 H new ATOM 0 HD13 ILE A 93 2.213 6.777 2.826 1.00 43.04 H new ATOM 1583 N LEU A 94 0.290 11.577 4.818 1.00 24.31 N ATOM 1584 CA LEU A 94 -0.927 12.399 4.986 1.00 15.04 C ATOM 1585 C LEU A 94 -0.622 13.908 4.824 1.00 74.44 C ATOM 1586 O LEU A 94 -1.375 14.613 4.175 1.00 3.22 O ATOM 1587 CB LEU A 94 -1.588 12.144 6.367 1.00 12.44 C ATOM 1588 CG LEU A 94 -2.177 10.721 6.594 1.00 42.32 C ATOM 1589 CD1 LEU A 94 -2.686 10.559 8.037 1.00 4.41 C ATOM 1590 CD2 LEU A 94 -3.289 10.409 5.573 1.00 31.10 C ATOM 0 H LEU A 94 0.454 10.918 5.579 1.00 24.31 H new ATOM 0 HA LEU A 94 -1.622 12.102 4.201 1.00 15.04 H new ATOM 0 HB2 LEU A 94 -0.846 12.336 7.143 1.00 12.44 H new ATOM 0 HB3 LEU A 94 -2.388 12.872 6.504 1.00 12.44 H new ATOM 0 HG LEU A 94 -1.375 9.999 6.440 1.00 42.32 H new ATOM 0 HD11 LEU A 94 -3.092 9.556 8.169 1.00 4.41 H new ATOM 0 HD12 LEU A 94 -1.861 10.711 8.733 1.00 4.41 H new ATOM 0 HD13 LEU A 94 -3.466 11.295 8.233 1.00 4.41 H new ATOM 0 HD21 LEU A 94 -3.681 9.409 5.756 1.00 31.10 H new ATOM 0 HD22 LEU A 94 -4.093 11.138 5.676 1.00 31.10 H new ATOM 0 HD23 LEU A 94 -2.881 10.459 4.564 1.00 31.10 H new ATOM 1602 N GLU A 95 0.498 14.367 5.418 1.00 71.24 N ATOM 1603 CA GLU A 95 0.974 15.769 5.308 1.00 54.23 C ATOM 1604 C GLU A 95 1.795 15.994 4.013 1.00 20.51 C ATOM 1605 O GLU A 95 1.829 17.104 3.478 1.00 1.41 O ATOM 1606 CB GLU A 95 1.854 16.136 6.527 1.00 54.12 C ATOM 1607 CG GLU A 95 1.188 15.964 7.903 1.00 2.41 C ATOM 1608 CD GLU A 95 2.163 16.217 9.063 1.00 5.04 C ATOM 1609 OE1 GLU A 95 2.954 15.299 9.381 1.00 71.02 O ATOM 1610 OE2 GLU A 95 2.159 17.336 9.644 1.00 50.43 O ATOM 0 H GLU A 95 1.103 13.777 5.990 1.00 71.24 H new ATOM 0 HA GLU A 95 0.091 16.407 5.278 1.00 54.23 H new ATOM 0 HB2 GLU A 95 2.755 15.523 6.500 1.00 54.12 H new ATOM 0 HB3 GLU A 95 2.172 17.174 6.424 1.00 54.12 H new ATOM 0 HG2 GLU A 95 0.346 16.651 7.984 1.00 2.41 H new ATOM 0 HG3 GLU A 95 0.785 14.955 7.985 1.00 2.41 H new ATOM 1617 N ASP A 96 2.452 14.913 3.543 1.00 64.24 N ATOM 1618 CA ASP A 96 3.410 14.952 2.401 1.00 62.23 C ATOM 1619 C ASP A 96 2.724 15.421 1.112 1.00 24.03 C ATOM 1620 O ASP A 96 3.229 16.305 0.406 1.00 23.34 O ATOM 1621 CB ASP A 96 4.058 13.563 2.167 1.00 74.52 C ATOM 1622 CG ASP A 96 5.085 13.519 1.014 1.00 61.31 C ATOM 1623 OD1 ASP A 96 4.692 13.277 -0.155 1.00 14.22 O ATOM 1624 OD2 ASP A 96 6.293 13.705 1.278 1.00 65.04 O ATOM 0 H ASP A 96 2.337 13.981 3.942 1.00 64.24 H new ATOM 0 HA ASP A 96 4.190 15.667 2.663 1.00 62.23 H new ATOM 0 HB2 ASP A 96 4.550 13.247 3.087 1.00 74.52 H new ATOM 0 HB3 ASP A 96 3.270 12.839 1.962 1.00 74.52 H new ATOM 1629 N LEU A 97 1.563 14.815 0.837 1.00 75.44 N ATOM 1630 CA LEU A 97 0.765 15.099 -0.360 1.00 21.13 C ATOM 1631 C LEU A 97 0.126 16.512 -0.275 1.00 65.04 C ATOM 1632 O LEU A 97 -0.205 17.111 -1.300 1.00 60.32 O ATOM 1633 CB LEU A 97 -0.305 13.978 -0.570 1.00 53.31 C ATOM 1634 CG LEU A 97 0.215 12.587 -1.116 1.00 14.40 C ATOM 1635 CD1 LEU A 97 1.170 11.860 -0.152 1.00 63.14 C ATOM 1636 CD2 LEU A 97 -0.949 11.667 -1.496 1.00 20.35 C ATOM 0 H LEU A 97 1.148 14.108 1.444 1.00 75.44 H new ATOM 0 HA LEU A 97 1.418 15.100 -1.233 1.00 21.13 H new ATOM 0 HB2 LEU A 97 -0.805 13.803 0.383 1.00 53.31 H new ATOM 0 HB3 LEU A 97 -1.059 14.354 -1.262 1.00 53.31 H new ATOM 0 HG LEU A 97 0.793 12.826 -2.009 1.00 14.40 H new ATOM 0 HD11 LEU A 97 1.484 10.915 -0.595 1.00 63.14 H new ATOM 0 HD12 LEU A 97 2.045 12.483 0.032 1.00 63.14 H new ATOM 0 HD13 LEU A 97 0.658 11.667 0.791 1.00 63.14 H new ATOM 0 HD21 LEU A 97 -0.558 10.720 -1.867 1.00 20.35 H new ATOM 0 HD22 LEU A 97 -1.570 11.484 -0.619 1.00 20.35 H new ATOM 0 HD23 LEU A 97 -1.549 12.141 -2.273 1.00 20.35 H new ATOM 1648 N LYS A 98 0.017 17.054 0.961 1.00 63.14 N ATOM 1649 CA LYS A 98 -0.552 18.399 1.210 1.00 63.25 C ATOM 1650 C LYS A 98 0.498 19.489 0.940 1.00 2.23 C ATOM 1651 O LYS A 98 0.149 20.604 0.560 1.00 61.21 O ATOM 1652 CB LYS A 98 -1.081 18.529 2.665 1.00 3.12 C ATOM 1653 CG LYS A 98 -1.976 17.371 3.138 1.00 11.30 C ATOM 1654 CD LYS A 98 -3.159 17.038 2.206 1.00 65.02 C ATOM 1655 CE LYS A 98 -4.169 18.183 2.072 1.00 24.30 C ATOM 1656 NZ LYS A 98 -5.370 17.754 1.312 1.00 22.51 N ATOM 0 H LYS A 98 0.319 16.574 1.809 1.00 63.14 H new ATOM 0 HA LYS A 98 -1.390 18.532 0.526 1.00 63.25 H new ATOM 0 HB2 LYS A 98 -0.229 18.608 3.340 1.00 3.12 H new ATOM 0 HB3 LYS A 98 -1.642 19.460 2.750 1.00 3.12 H new ATOM 0 HG2 LYS A 98 -1.360 16.479 3.251 1.00 11.30 H new ATOM 0 HG3 LYS A 98 -2.368 17.615 4.125 1.00 11.30 H new ATOM 0 HD2 LYS A 98 -2.774 16.786 1.218 1.00 65.02 H new ATOM 0 HD3 LYS A 98 -3.672 16.153 2.584 1.00 65.02 H new ATOM 0 HE2 LYS A 98 -4.466 18.527 3.063 1.00 24.30 H new ATOM 0 HE3 LYS A 98 -3.700 19.028 1.569 1.00 24.30 H new ATOM 0 HZ1 LYS A 98 -6.021 18.559 1.208 1.00 22.51 H new ATOM 0 HZ2 LYS A 98 -5.083 17.417 0.371 1.00 22.51 H new ATOM 0 HZ3 LYS A 98 -5.849 16.986 1.824 1.00 22.51 H new ATOM 1670 N LYS A 99 1.787 19.152 1.189 1.00 62.32 N ATOM 1671 CA LYS A 99 2.935 20.024 0.843 1.00 70.02 C ATOM 1672 C LYS A 99 2.973 20.291 -0.667 1.00 11.42 C ATOM 1673 O LYS A 99 3.312 21.385 -1.105 1.00 33.52 O ATOM 1674 CB LYS A 99 4.291 19.394 1.278 1.00 25.04 C ATOM 1675 CG LYS A 99 4.426 19.096 2.789 1.00 1.42 C ATOM 1676 CD LYS A 99 5.833 18.566 3.168 1.00 33.00 C ATOM 1677 CE LYS A 99 6.231 17.293 2.390 1.00 11.21 C ATOM 1678 NZ LYS A 99 7.575 16.781 2.776 1.00 34.41 N ATOM 0 H LYS A 99 2.058 18.274 1.632 1.00 62.32 H new ATOM 0 HA LYS A 99 2.796 20.961 1.383 1.00 70.02 H new ATOM 0 HB2 LYS A 99 4.434 18.465 0.727 1.00 25.04 H new ATOM 0 HB3 LYS A 99 5.097 20.067 0.984 1.00 25.04 H new ATOM 0 HG2 LYS A 99 4.219 20.004 3.355 1.00 1.42 H new ATOM 0 HG3 LYS A 99 3.675 18.362 3.079 1.00 1.42 H new ATOM 0 HD2 LYS A 99 6.571 19.345 2.979 1.00 33.00 H new ATOM 0 HD3 LYS A 99 5.859 18.354 4.237 1.00 33.00 H new ATOM 0 HE2 LYS A 99 5.486 16.517 2.566 1.00 11.21 H new ATOM 0 HE3 LYS A 99 6.221 17.507 1.321 1.00 11.21 H new ATOM 0 HZ1 LYS A 99 7.793 15.927 2.224 1.00 34.41 H new ATOM 0 HZ2 LYS A 99 8.292 17.509 2.584 1.00 34.41 H new ATOM 0 HZ3 LYS A 99 7.580 16.549 3.790 1.00 34.41 H new ATOM 1692 N LYS A 100 2.593 19.265 -1.447 1.00 21.54 N ATOM 1693 CA LYS A 100 2.614 19.315 -2.916 1.00 11.25 C ATOM 1694 C LYS A 100 1.593 20.330 -3.472 1.00 2.32 C ATOM 1695 O LYS A 100 1.799 20.891 -4.549 1.00 54.13 O ATOM 1696 CB LYS A 100 2.382 17.890 -3.484 1.00 41.34 C ATOM 1697 CG LYS A 100 3.452 16.826 -3.084 1.00 64.42 C ATOM 1698 CD LYS A 100 4.818 16.965 -3.828 1.00 32.13 C ATOM 1699 CE LYS A 100 5.751 18.049 -3.257 1.00 33.23 C ATOM 1700 NZ LYS A 100 7.035 18.127 -3.998 1.00 34.15 N ATOM 0 H LYS A 100 2.262 18.375 -1.074 1.00 21.54 H new ATOM 0 HA LYS A 100 3.594 19.665 -3.240 1.00 11.25 H new ATOM 0 HB2 LYS A 100 1.405 17.540 -3.152 1.00 41.34 H new ATOM 0 HB3 LYS A 100 2.346 17.952 -4.572 1.00 41.34 H new ATOM 0 HG2 LYS A 100 3.629 16.894 -2.011 1.00 64.42 H new ATOM 0 HG3 LYS A 100 3.047 15.833 -3.278 1.00 64.42 H new ATOM 0 HD2 LYS A 100 5.334 16.006 -3.795 1.00 32.13 H new ATOM 0 HD3 LYS A 100 4.624 17.187 -4.877 1.00 32.13 H new ATOM 0 HE2 LYS A 100 5.250 19.016 -3.298 1.00 33.23 H new ATOM 0 HE3 LYS A 100 5.951 17.838 -2.207 1.00 33.23 H new ATOM 0 HZ1 LYS A 100 7.632 18.869 -3.581 1.00 34.15 H new ATOM 0 HZ2 LYS A 100 7.527 17.212 -3.938 1.00 34.15 H new ATOM 0 HZ3 LYS A 100 6.847 18.354 -4.995 1.00 34.15 H new ATOM 1714 N GLY A 101 0.505 20.562 -2.723 1.00 24.32 N ATOM 1715 CA GLY A 101 -0.435 21.640 -3.038 1.00 54.10 C ATOM 1716 C GLY A 101 0.022 22.969 -2.444 1.00 42.33 C ATOM 1717 O GLY A 101 0.122 23.981 -3.146 1.00 50.53 O ATOM 0 H GLY A 101 0.257 20.017 -1.897 1.00 24.32 H new ATOM 0 HA2 GLY A 101 -0.531 21.737 -4.119 1.00 54.10 H new ATOM 0 HA3 GLY A 101 -1.423 21.388 -2.652 1.00 54.10 H new ATOM 1721 N SER A 102 0.321 22.936 -1.142 1.00 53.12 N ATOM 1722 CA SER A 102 0.686 24.117 -0.353 1.00 53.10 C ATOM 1723 C SER A 102 2.203 24.119 -0.064 1.00 42.20 C ATOM 1724 O SER A 102 2.666 23.517 0.912 1.00 50.33 O ATOM 1725 CB SER A 102 -0.132 24.107 0.964 1.00 2.14 C ATOM 1726 OG SER A 102 -1.525 23.962 0.700 1.00 25.10 O ATOM 0 H SER A 102 0.316 22.074 -0.597 1.00 53.12 H new ATOM 0 HA SER A 102 0.456 25.024 -0.911 1.00 53.10 H new ATOM 0 HB2 SER A 102 0.208 23.290 1.601 1.00 2.14 H new ATOM 0 HB3 SER A 102 0.043 25.033 1.512 1.00 2.14 H new ATOM 0 HG SER A 102 -2.019 23.957 1.546 1.00 25.10 H new ATOM 1732 N LEU A 103 2.970 24.795 -0.942 1.00 12.55 N ATOM 1733 CA LEU A 103 4.439 24.951 -0.799 1.00 4.12 C ATOM 1734 C LEU A 103 4.797 26.175 0.080 1.00 53.42 C ATOM 1735 O LEU A 103 5.870 26.771 -0.076 1.00 42.11 O ATOM 1736 CB LEU A 103 5.094 25.061 -2.212 1.00 20.42 C ATOM 1737 CG LEU A 103 5.103 23.756 -3.078 1.00 22.14 C ATOM 1738 CD1 LEU A 103 5.670 24.031 -4.491 1.00 55.43 C ATOM 1739 CD2 LEU A 103 5.897 22.627 -2.377 1.00 14.24 C ATOM 0 H LEU A 103 2.592 25.250 -1.773 1.00 12.55 H new ATOM 0 HA LEU A 103 4.834 24.070 -0.293 1.00 4.12 H new ATOM 0 HB2 LEU A 103 4.573 25.838 -2.771 1.00 20.42 H new ATOM 0 HB3 LEU A 103 6.124 25.395 -2.086 1.00 20.42 H new ATOM 0 HG LEU A 103 4.071 23.423 -3.187 1.00 22.14 H new ATOM 0 HD11 LEU A 103 5.665 23.108 -5.071 1.00 55.43 H new ATOM 0 HD12 LEU A 103 5.053 24.778 -4.991 1.00 55.43 H new ATOM 0 HD13 LEU A 103 6.692 24.401 -4.407 1.00 55.43 H new ATOM 0 HD21 LEU A 103 5.886 21.733 -3.001 1.00 14.24 H new ATOM 0 HD22 LEU A 103 6.927 22.949 -2.222 1.00 14.24 H new ATOM 0 HD23 LEU A 103 5.438 22.403 -1.414 1.00 14.24 H new ATOM 1751 N GLU A 104 3.903 26.506 1.028 1.00 64.23 N ATOM 1752 CA GLU A 104 4.105 27.594 2.010 1.00 30.23 C ATOM 1753 C GLU A 104 5.200 27.198 3.023 1.00 40.31 C ATOM 1754 O GLU A 104 5.663 26.047 3.031 1.00 42.11 O ATOM 1755 CB GLU A 104 2.768 27.845 2.771 1.00 4.41 C ATOM 1756 CG GLU A 104 1.524 27.973 1.867 1.00 40.52 C ATOM 1757 CD GLU A 104 0.196 28.009 2.644 1.00 10.23 C ATOM 1758 OE1 GLU A 104 -0.018 27.118 3.496 1.00 50.32 O ATOM 1759 OE2 GLU A 104 -0.647 28.897 2.382 1.00 32.21 O ATOM 0 H GLU A 104 3.011 26.024 1.138 1.00 64.23 H new ATOM 0 HA GLU A 104 4.415 28.498 1.487 1.00 30.23 H new ATOM 0 HB2 GLU A 104 2.607 27.027 3.473 1.00 4.41 H new ATOM 0 HB3 GLU A 104 2.867 28.757 3.360 1.00 4.41 H new ATOM 0 HG2 GLU A 104 1.611 28.881 1.271 1.00 40.52 H new ATOM 0 HG3 GLU A 104 1.504 27.135 1.170 1.00 40.52 H new ATOM 1766 N HIS A 105 5.604 28.150 3.884 1.00 15.31 N ATOM 1767 CA HIS A 105 6.438 27.835 5.052 1.00 50.51 C ATOM 1768 C HIS A 105 5.568 27.047 6.048 1.00 63.44 C ATOM 1769 O HIS A 105 4.685 27.632 6.683 1.00 24.34 O ATOM 1770 CB HIS A 105 7.002 29.125 5.714 1.00 71.40 C ATOM 1771 CG HIS A 105 7.876 28.847 6.918 1.00 34.03 C ATOM 1772 ND1 HIS A 105 7.402 28.864 8.217 1.00 63.34 N ATOM 1773 CD2 HIS A 105 9.185 28.506 7.008 1.00 34.24 C ATOM 1774 CE1 HIS A 105 8.381 28.546 9.044 1.00 71.02 C ATOM 1775 NE2 HIS A 105 9.466 28.325 8.332 1.00 45.33 N ATOM 0 H HIS A 105 5.367 29.138 3.791 1.00 15.31 H new ATOM 0 HA HIS A 105 7.298 27.241 4.742 1.00 50.51 H new ATOM 0 HB2 HIS A 105 7.579 29.681 4.976 1.00 71.40 H new ATOM 0 HB3 HIS A 105 6.171 29.763 6.016 1.00 71.40 H new ATOM 0 HD2 HIS A 105 9.877 28.398 6.186 1.00 34.24 H new ATOM 0 HE1 HIS A 105 8.305 28.479 10.119 1.00 71.02 H new ATOM 0 HE2 HIS A 105 10.375 28.060 8.710 1.00 45.33 H new ATOM 1784 N HIS A 106 5.793 25.712 6.115 1.00 62.51 N ATOM 1785 CA HIS A 106 5.039 24.801 6.998 1.00 53.21 C ATOM 1786 C HIS A 106 5.152 25.311 8.455 1.00 30.54 C ATOM 1787 O HIS A 106 6.223 25.258 9.057 1.00 54.53 O ATOM 1788 CB HIS A 106 5.573 23.343 6.848 1.00 2.13 C ATOM 1789 CG HIS A 106 4.662 22.274 7.407 1.00 61.20 C ATOM 1790 ND1 HIS A 106 5.032 21.395 8.407 1.00 73.35 N ATOM 1791 CD2 HIS A 106 3.391 21.938 7.077 1.00 62.24 C ATOM 1792 CE1 HIS A 106 4.031 20.571 8.658 1.00 12.11 C ATOM 1793 NE2 HIS A 106 3.025 20.878 7.865 1.00 25.15 N ATOM 0 H HIS A 106 6.504 25.240 5.556 1.00 62.51 H new ATOM 0 HA HIS A 106 3.986 24.787 6.717 1.00 53.21 H new ATOM 0 HB2 HIS A 106 5.742 23.140 5.791 1.00 2.13 H new ATOM 0 HB3 HIS A 106 6.541 23.272 7.345 1.00 2.13 H new ATOM 0 HD2 HIS A 106 2.778 22.418 6.329 1.00 62.24 H new ATOM 0 HE1 HIS A 106 4.036 19.778 9.391 1.00 12.11 H new ATOM 0 HE2 HIS A 106 2.122 20.405 7.841 1.00 25.15 H new ATOM 1802 N HIS A 107 4.051 25.892 8.959 1.00 45.33 N ATOM 1803 CA HIS A 107 4.045 26.665 10.220 1.00 34.55 C ATOM 1804 C HIS A 107 3.776 25.756 11.444 1.00 2.04 C ATOM 1805 O HIS A 107 2.619 25.424 11.713 1.00 75.53 O ATOM 1806 CB HIS A 107 3.015 27.845 10.132 1.00 3.41 C ATOM 1807 CG HIS A 107 1.564 27.443 9.943 1.00 42.33 C ATOM 1808 ND1 HIS A 107 0.652 27.422 10.976 1.00 24.03 N ATOM 1809 CD2 HIS A 107 0.890 27.000 8.849 1.00 64.30 C ATOM 1810 CE1 HIS A 107 -0.508 26.985 10.531 1.00 15.34 C ATOM 1811 NE2 HIS A 107 -0.393 26.724 9.247 1.00 25.25 N ATOM 0 H HIS A 107 3.138 25.841 8.507 1.00 45.33 H new ATOM 0 HA HIS A 107 5.037 27.094 10.362 1.00 34.55 H new ATOM 0 HB2 HIS A 107 3.092 28.438 11.043 1.00 3.41 H new ATOM 0 HB3 HIS A 107 3.303 28.493 9.304 1.00 3.41 H new ATOM 0 HD2 HIS A 107 1.290 26.887 7.852 1.00 64.30 H new ATOM 0 HE1 HIS A 107 -1.404 26.862 11.122 1.00 15.34 H new ATOM 0 HE2 HIS A 107 -1.138 26.373 8.645 1.00 25.25 H new ATOM 1820 N HIS A 108 4.874 25.272 12.079 1.00 51.41 N ATOM 1821 CA HIS A 108 4.880 24.686 13.454 1.00 12.22 C ATOM 1822 C HIS A 108 3.644 23.789 13.729 1.00 21.53 C ATOM 1823 O HIS A 108 2.670 24.247 14.343 1.00 52.13 O ATOM 1824 CB HIS A 108 4.990 25.862 14.479 1.00 50.43 C ATOM 1825 CG HIS A 108 5.154 25.483 15.942 1.00 2.33 C ATOM 1826 ND1 HIS A 108 6.371 25.500 16.586 1.00 40.41 N ATOM 1827 CD2 HIS A 108 4.236 25.192 16.900 1.00 55.42 C ATOM 1828 CE1 HIS A 108 6.193 25.232 17.864 1.00 74.21 C ATOM 1829 NE2 HIS A 108 4.911 25.044 18.083 1.00 24.04 N ATOM 0 H HIS A 108 5.798 25.276 11.647 1.00 51.41 H new ATOM 0 HA HIS A 108 5.738 24.021 13.557 1.00 12.22 H new ATOM 0 HB2 HIS A 108 5.838 26.484 14.192 1.00 50.43 H new ATOM 0 HB3 HIS A 108 4.096 26.479 14.386 1.00 50.43 H new ATOM 0 HD2 HIS A 108 3.170 25.095 16.756 1.00 55.42 H new ATOM 0 HE1 HIS A 108 6.973 25.176 18.609 1.00 74.21 H new ATOM 0 HE2 HIS A 108 4.488 24.824 18.985 1.00 24.04 H new ATOM 1838 N HIS A 109 3.653 22.535 13.214 1.00 25.13 N ATOM 1839 CA HIS A 109 2.480 21.629 13.343 1.00 70.20 C ATOM 1840 C HIS A 109 2.286 21.233 14.820 1.00 53.20 C ATOM 1841 O HIS A 109 1.149 21.051 15.274 1.00 35.31 O ATOM 1842 CB HIS A 109 2.576 20.381 12.397 1.00 42.22 C ATOM 1843 CG HIS A 109 3.512 19.272 12.827 1.00 11.13 C ATOM 1844 ND1 HIS A 109 4.765 19.086 12.293 1.00 31.15 N ATOM 1845 CD2 HIS A 109 3.348 18.265 13.724 1.00 44.32 C ATOM 1846 CE1 HIS A 109 5.324 18.031 12.843 1.00 51.20 C ATOM 1847 NE2 HIS A 109 4.488 17.518 13.710 1.00 73.53 N ATOM 0 H HIS A 109 4.444 22.131 12.713 1.00 25.13 H new ATOM 0 HA HIS A 109 1.594 22.172 13.014 1.00 70.20 H new ATOM 0 HB2 HIS A 109 1.577 19.959 12.288 1.00 42.22 H new ATOM 0 HB3 HIS A 109 2.887 20.725 11.410 1.00 42.22 H new ATOM 0 HD2 HIS A 109 2.475 18.089 14.335 1.00 44.32 H new ATOM 0 HE1 HIS A 109 6.309 17.651 12.617 1.00 51.20 H new ATOM 0 HE2 HIS A 109 4.662 16.692 14.283 1.00 73.53 H new ATOM 1856 N HIS A 110 3.426 21.135 15.544 1.00 61.40 N ATOM 1857 CA HIS A 110 3.474 20.893 16.991 1.00 52.34 C ATOM 1858 C HIS A 110 4.953 20.977 17.457 1.00 64.32 C ATOM 1859 O HIS A 110 5.351 22.002 18.048 1.00 4.53 O ATOM 1860 CB HIS A 110 2.840 19.522 17.373 1.00 12.22 C ATOM 1861 CG HIS A 110 2.691 19.313 18.859 1.00 74.02 C ATOM 1862 ND1 HIS A 110 3.440 18.409 19.577 1.00 20.42 N ATOM 1863 CD2 HIS A 110 1.855 19.895 19.755 1.00 41.25 C ATOM 1864 CE1 HIS A 110 3.073 18.440 20.843 1.00 1.23 C ATOM 1865 NE2 HIS A 110 2.116 19.332 20.974 1.00 2.31 N ATOM 1866 OXT HIS A 110 5.723 20.037 17.177 1.00 38.35 O ATOM 0 H HIS A 110 4.351 21.225 15.123 1.00 61.40 H new ATOM 0 HA HIS A 110 2.883 21.655 17.499 1.00 52.34 H new ATOM 0 HB2 HIS A 110 1.859 19.443 16.904 1.00 12.22 H new ATOM 0 HB3 HIS A 110 3.455 18.721 16.963 1.00 12.22 H new ATOM 0 HD2 HIS A 110 1.121 20.659 19.545 1.00 41.25 H new ATOM 0 HE1 HIS A 110 3.488 17.836 21.637 1.00 1.23 H new ATOM 0 HE2 HIS A 110 1.643 19.567 21.847 1.00 2.31 H new TER 1875 HIS A 110