USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1050 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 9 TYR OH : rot -108:sc= 0.486 USER MOD Set 1.2: A 29 LYS NZ :NH3+ -164:sc= 1.08 (180deg=0.318) USER MOD Set 1.3: A 32 THR OG1 : rot -128:sc= 0.516 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 49:sc= 0.242 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 161:sc= 0.159 (180deg=-0.407) USER MOD Single : A 24 LYS NZ :NH3+ 166:sc= -0.045 (180deg=-0.26) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -179:sc= 0.491 (180deg=0.491) USER MOD Single : A 41 MET CE :methyl -150:sc= -1.98 (180deg=-3.23!) USER MOD Single : A 42 LYS NZ :NH3+ -134:sc= 0.579 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 100:sc= -1.54! USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 70 MET CE :methyl -153:sc= -0.259 (180deg=-0.956) USER MOD Single : A 71 GLN : amide:sc= 0.0273 X(o=0.027,f=0) USER MOD Single : A 75 THR OG1 : rot 82:sc= 1.2 USER MOD Single : A 83 THR OG1 : rot -117:sc= -0.1 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 171:sc= 0.476 (180deg=0.42) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -169:sc= -1.5 (180deg=-1.67) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 175:sc= 0.0259 (180deg=-0.000995) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl -111:sc= -0.0534 (180deg=-0.369) USER MOD Single : A 118 LYS NZ :NH3+ -130:sc= 0.541 (180deg=-1.17) USER MOD Single : A 119 LYS NZ :NH3+ 177:sc= -0.665 (180deg=-0.752) USER MOD Single : A 120 TYR OH : rot 35:sc= 0.441 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.382 K(o=-0.38,f=-3.2!) USER MOD Single : A 136 TYR OH : rot 180:sc= -0.0349 USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 3 3.069 2.582 -3.854 1.00 0.00 N ATOM 30 CA LYS A 3 2.759 3.718 -4.759 1.00 0.00 C ATOM 31 C LYS A 3 2.214 4.952 -3.994 1.00 0.00 C ATOM 32 O LYS A 3 2.198 6.059 -4.552 1.00 0.00 O ATOM 33 CB LYS A 3 1.701 3.293 -5.817 1.00 0.00 C ATOM 34 CG LYS A 3 0.411 2.685 -5.203 1.00 0.00 C ATOM 35 CD LYS A 3 -0.792 2.663 -6.171 1.00 0.00 C ATOM 36 CE LYS A 3 -1.441 4.050 -6.344 1.00 0.00 C ATOM 37 NZ LYS A 3 -2.668 3.999 -7.171 1.00 0.00 N ATOM 0 HA LYS A 3 3.697 3.994 -5.241 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.432 4.162 -6.418 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.149 2.565 -6.493 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.621 1.666 -4.876 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.140 3.255 -4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.464 2.296 -7.144 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.539 1.961 -5.800 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.684 4.460 -5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.724 4.729 -6.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -3.068 4.955 -7.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.435 3.633 -8.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.365 3.372 -6.720 1.00 0.00 H new ATOM 51 N ILE A 4 1.739 4.732 -2.735 1.00 0.00 N ATOM 52 CA ILE A 4 1.071 5.768 -1.902 1.00 0.00 C ATOM 53 C ILE A 4 -0.296 6.138 -2.563 1.00 0.00 C ATOM 54 O ILE A 4 -0.758 5.416 -3.449 1.00 0.00 O ATOM 55 CB ILE A 4 2.049 7.016 -1.618 1.00 0.00 C ATOM 56 CG1 ILE A 4 3.420 6.505 -1.063 1.00 0.00 C ATOM 57 CG2 ILE A 4 1.468 8.098 -0.648 1.00 0.00 C ATOM 58 CD1 ILE A 4 3.339 5.757 0.262 1.00 0.00 C ATOM 0 H ILE A 4 1.810 3.827 -2.270 1.00 0.00 H new ATOM 0 HA ILE A 4 0.847 5.380 -0.908 1.00 0.00 H new ATOM 0 HB ILE A 4 2.172 7.511 -2.581 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.874 5.849 -1.806 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.087 7.359 -0.941 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.196 8.898 -0.517 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.550 8.508 -1.069 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.252 7.642 0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.338 5.443 0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.918 6.412 1.025 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.703 4.880 0.146 1.00 0.00 H new ATOM 70 N VAL A 5 -1.017 7.122 -2.015 1.00 0.00 N ATOM 71 CA VAL A 5 -2.068 7.887 -2.733 1.00 0.00 C ATOM 72 C VAL A 5 -2.104 9.312 -2.176 1.00 0.00 C ATOM 73 O VAL A 5 -2.329 10.261 -2.922 1.00 0.00 O ATOM 74 CB VAL A 5 -3.532 7.273 -2.661 1.00 0.00 C ATOM 75 CG1 VAL A 5 -3.738 6.132 -3.684 1.00 0.00 C ATOM 76 CG2 VAL A 5 -3.883 6.819 -1.228 1.00 0.00 C ATOM 0 H VAL A 5 -0.893 7.421 -1.048 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.788 7.852 -3.786 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.224 8.070 -2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.753 5.744 -3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.581 6.515 -4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.025 5.332 -3.485 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.891 6.404 -1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.173 6.058 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.833 7.674 -0.553 1.00 0.00 H new ATOM 86 N GLY A 6 -1.923 9.438 -0.847 1.00 0.00 N ATOM 87 CA GLY A 6 -1.946 10.722 -0.178 1.00 0.00 C ATOM 88 C GLY A 6 -1.482 10.666 1.262 1.00 0.00 C ATOM 89 O GLY A 6 -0.789 9.733 1.673 1.00 0.00 O ATOM 0 H GLY A 6 -1.759 8.648 -0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.314 11.419 -0.727 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.960 11.120 -0.208 1.00 0.00 H new ATOM 93 N VAL A 7 -1.845 11.703 2.021 1.00 0.00 N ATOM 94 CA VAL A 7 -1.569 11.800 3.464 1.00 0.00 C ATOM 95 C VAL A 7 -2.867 12.217 4.189 1.00 0.00 C ATOM 96 O VAL A 7 -3.703 12.922 3.620 1.00 0.00 O ATOM 97 CB VAL A 7 -0.382 12.807 3.763 1.00 0.00 C ATOM 98 CG1 VAL A 7 -0.715 14.259 3.329 1.00 0.00 C ATOM 99 CG2 VAL A 7 0.062 12.746 5.249 1.00 0.00 C ATOM 0 H VAL A 7 -2.345 12.511 1.650 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.246 10.828 3.837 1.00 0.00 H new ATOM 0 HB VAL A 7 0.462 12.482 3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.130 14.909 3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.914 14.282 2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.596 14.607 3.869 1.00 0.00 H new ATOM 0 HG21 VAL A 7 0.877 13.450 5.414 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.779 13.007 5.891 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.400 11.737 5.487 1.00 0.00 H new ATOM 109 N THR A 8 -3.039 11.745 5.428 1.00 0.00 N ATOM 110 CA THR A 8 -4.224 12.031 6.249 1.00 0.00 C ATOM 111 C THR A 8 -3.799 12.686 7.574 1.00 0.00 C ATOM 112 O THR A 8 -2.765 12.326 8.153 1.00 0.00 O ATOM 113 CB THR A 8 -5.102 10.746 6.508 1.00 0.00 C ATOM 114 OG1 THR A 8 -6.212 11.057 7.370 1.00 0.00 O ATOM 115 CG2 THR A 8 -4.300 9.582 7.111 1.00 0.00 C ATOM 0 H THR A 8 -2.355 11.149 5.895 1.00 0.00 H new ATOM 0 HA THR A 8 -4.852 12.727 5.692 1.00 0.00 H new ATOM 0 HB THR A 8 -5.465 10.424 5.532 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.670 11.858 7.038 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.959 8.728 7.266 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.497 9.302 6.429 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.874 9.890 8.066 1.00 0.00 H new ATOM 123 N TYR A 9 -4.592 13.677 8.028 1.00 0.00 N ATOM 124 CA TYR A 9 -4.338 14.439 9.264 1.00 0.00 C ATOM 125 C TYR A 9 -5.650 14.638 10.042 1.00 0.00 C ATOM 126 O TYR A 9 -6.685 14.884 9.429 1.00 0.00 O ATOM 127 CB TYR A 9 -3.689 15.829 8.959 1.00 0.00 C ATOM 128 CG TYR A 9 -2.159 15.825 8.965 1.00 0.00 C ATOM 129 CD1 TYR A 9 -1.426 15.459 7.836 1.00 0.00 C ATOM 130 CD2 TYR A 9 -1.451 16.184 10.111 1.00 0.00 C ATOM 131 CE1 TYR A 9 -0.051 15.451 7.853 1.00 0.00 C ATOM 132 CE2 TYR A 9 -0.077 16.179 10.128 1.00 0.00 C ATOM 133 CZ TYR A 9 0.617 15.812 9.001 1.00 0.00 C ATOM 134 OH TYR A 9 1.991 15.802 9.034 1.00 0.00 O ATOM 0 H TYR A 9 -5.437 13.973 7.539 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.638 13.864 9.870 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.036 16.173 7.984 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.042 16.551 9.696 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.947 15.177 6.933 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -1.992 16.471 11.001 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.501 15.163 6.971 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.455 16.463 11.024 1.00 0.00 H new ATOM 0 HH TYR A 9 2.300 15.054 9.587 1.00 0.00 H new ATOM 144 N PRO A 10 -5.602 14.550 11.414 1.00 0.00 N ATOM 145 CA PRO A 10 -6.768 14.810 12.287 1.00 0.00 C ATOM 146 C PRO A 10 -7.256 16.265 12.175 1.00 0.00 C ATOM 147 O PRO A 10 -8.451 16.516 12.027 1.00 0.00 O ATOM 148 CB PRO A 10 -6.246 14.519 13.728 1.00 0.00 C ATOM 149 CG PRO A 10 -4.972 13.761 13.539 1.00 0.00 C ATOM 150 CD PRO A 10 -4.406 14.203 12.211 1.00 0.00 C ATOM 0 HA PRO A 10 -7.622 14.192 12.010 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.076 15.444 14.279 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.969 13.937 14.299 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.272 13.970 14.348 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.155 12.686 13.545 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.740 15.058 12.325 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.828 13.409 11.739 1.00 0.00 H new ATOM 158 N ILE A 11 -6.278 17.205 12.238 1.00 0.00 N ATOM 159 CA ILE A 11 -6.526 18.658 12.333 1.00 0.00 C ATOM 160 C ILE A 11 -7.514 18.944 13.502 1.00 0.00 C ATOM 161 O ILE A 11 -8.690 19.251 13.274 1.00 0.00 O ATOM 162 CB ILE A 11 -7.022 19.293 10.962 1.00 0.00 C ATOM 163 CG1 ILE A 11 -6.096 18.840 9.779 1.00 0.00 C ATOM 164 CG2 ILE A 11 -7.103 20.848 11.052 1.00 0.00 C ATOM 165 CD1 ILE A 11 -6.534 19.312 8.399 1.00 0.00 C ATOM 0 H ILE A 11 -5.286 16.968 12.224 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.576 19.147 12.547 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.030 18.927 10.765 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.087 19.206 9.968 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.045 17.751 9.774 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.445 21.250 10.098 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.804 21.131 11.838 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.117 21.251 11.283 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.831 18.948 7.650 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.529 18.925 8.181 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.556 20.402 8.377 1.00 0.00 H new ATOM 177 N PRO A 12 -7.045 18.801 14.795 1.00 0.00 N ATOM 178 CA PRO A 12 -7.919 18.899 15.996 1.00 0.00 C ATOM 179 C PRO A 12 -8.166 20.366 16.436 1.00 0.00 C ATOM 180 O PRO A 12 -8.250 20.673 17.632 1.00 0.00 O ATOM 181 CB PRO A 12 -7.108 18.101 17.045 1.00 0.00 C ATOM 182 CG PRO A 12 -5.677 18.403 16.706 1.00 0.00 C ATOM 183 CD PRO A 12 -5.624 18.541 15.188 1.00 0.00 C ATOM 0 HA PRO A 12 -8.926 18.514 15.832 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.352 18.414 18.060 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.316 17.033 16.982 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.346 19.320 17.193 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.018 17.605 17.048 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.971 19.359 14.885 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.240 17.635 14.719 1.00 0.00 H new ATOM 191 N LYS A 13 -8.327 21.245 15.437 1.00 0.00 N ATOM 192 CA LYS A 13 -8.453 22.700 15.615 1.00 0.00 C ATOM 193 C LYS A 13 -9.752 23.200 14.950 1.00 0.00 C ATOM 194 O LYS A 13 -10.425 22.452 14.238 1.00 0.00 O ATOM 195 CB LYS A 13 -7.224 23.420 14.977 1.00 0.00 C ATOM 196 CG LYS A 13 -5.839 22.953 15.494 1.00 0.00 C ATOM 197 CD LYS A 13 -5.635 23.197 17.011 1.00 0.00 C ATOM 198 CE LYS A 13 -4.251 22.731 17.511 1.00 0.00 C ATOM 199 NZ LYS A 13 -4.099 22.924 18.977 1.00 0.00 N ATOM 0 H LYS A 13 -8.374 20.958 14.459 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.487 22.926 16.681 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.258 23.274 13.897 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.318 24.491 15.157 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.721 21.890 15.285 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.058 23.475 14.941 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.754 24.260 17.223 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.412 22.673 17.567 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.112 21.678 17.267 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.471 23.285 16.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.157 22.599 19.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.206 23.932 19.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.828 22.375 19.477 1.00 0.00 H new ATOM 213 N ARG A 14 -10.061 24.488 15.173 1.00 0.00 N ATOM 214 CA ARG A 14 -11.186 25.200 14.515 1.00 0.00 C ATOM 215 C ARG A 14 -10.971 25.338 12.986 1.00 0.00 C ATOM 216 O ARG A 14 -11.909 25.638 12.242 1.00 0.00 O ATOM 217 CB ARG A 14 -11.356 26.606 15.162 1.00 0.00 C ATOM 218 CG ARG A 14 -10.061 27.465 15.178 1.00 0.00 C ATOM 219 CD ARG A 14 -10.231 28.825 15.888 1.00 0.00 C ATOM 220 NE ARG A 14 -8.926 29.480 16.142 1.00 0.00 N ATOM 221 CZ ARG A 14 -8.339 29.584 17.345 1.00 0.00 C ATOM 222 NH1 ARG A 14 -8.932 29.115 18.436 1.00 0.00 N ATOM 223 NH2 ARG A 14 -7.160 30.164 17.450 1.00 0.00 N ATOM 0 H ARG A 14 -9.536 25.076 15.820 1.00 0.00 H new ATOM 0 HA ARG A 14 -12.091 24.611 14.662 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.132 27.150 14.623 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -11.708 26.481 16.186 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -9.268 26.903 15.672 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -9.737 27.638 14.152 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -10.853 29.479 15.277 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -10.754 28.679 16.833 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.437 29.882 15.342 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.846 28.668 18.367 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.473 29.201 19.343 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -6.697 30.532 16.619 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.711 30.245 18.362 1.00 0.00 H new ATOM 237 N PHE A 15 -9.726 25.107 12.543 1.00 0.00 N ATOM 238 CA PHE A 15 -9.305 25.289 11.139 1.00 0.00 C ATOM 239 C PHE A 15 -9.661 24.074 10.243 1.00 0.00 C ATOM 240 O PHE A 15 -9.340 24.071 9.046 1.00 0.00 O ATOM 241 CB PHE A 15 -7.784 25.541 11.098 1.00 0.00 C ATOM 242 CG PHE A 15 -7.273 26.622 12.062 1.00 0.00 C ATOM 243 CD1 PHE A 15 -7.759 27.928 12.007 1.00 0.00 C ATOM 244 CD2 PHE A 15 -6.311 26.324 13.032 1.00 0.00 C ATOM 245 CE1 PHE A 15 -7.301 28.895 12.883 1.00 0.00 C ATOM 246 CE2 PHE A 15 -5.856 27.291 13.909 1.00 0.00 C ATOM 247 CZ PHE A 15 -6.351 28.574 13.834 1.00 0.00 C ATOM 0 H PHE A 15 -8.974 24.786 13.152 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.849 26.145 10.740 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.271 24.606 11.322 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.506 25.822 10.082 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.504 28.188 11.269 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.916 25.321 13.097 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.686 29.902 12.824 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -5.113 27.041 14.652 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.996 29.330 14.519 1.00 0.00 H new ATOM 257 N MET A 16 -10.304 23.054 10.839 1.00 0.00 N ATOM 258 CA MET A 16 -10.785 21.843 10.129 1.00 0.00 C ATOM 259 C MET A 16 -11.757 22.203 8.975 1.00 0.00 C ATOM 260 O MET A 16 -11.708 21.600 7.903 1.00 0.00 O ATOM 261 CB MET A 16 -11.472 20.875 11.148 1.00 0.00 C ATOM 262 CG MET A 16 -12.606 21.511 11.972 1.00 0.00 C ATOM 263 SD MET A 16 -13.333 20.397 13.195 1.00 0.00 S ATOM 264 CE MET A 16 -14.375 21.528 14.123 1.00 0.00 C ATOM 0 H MET A 16 -10.509 23.042 11.838 1.00 0.00 H new ATOM 0 HA MET A 16 -9.925 21.345 9.681 1.00 0.00 H new ATOM 0 HB2 MET A 16 -11.872 20.020 10.603 1.00 0.00 H new ATOM 0 HB3 MET A 16 -10.715 20.492 11.832 1.00 0.00 H new ATOM 0 HG2 MET A 16 -12.221 22.394 12.482 1.00 0.00 H new ATOM 0 HG3 MET A 16 -13.389 21.851 11.294 1.00 0.00 H new ATOM 0 HE1 MET A 16 -14.889 20.983 14.915 1.00 0.00 H new ATOM 0 HE2 MET A 16 -13.759 22.312 14.563 1.00 0.00 H new ATOM 0 HE3 MET A 16 -15.110 21.977 13.455 1.00 0.00 H new ATOM 274 N ASP A 17 -12.594 23.235 9.198 1.00 0.00 N ATOM 275 CA ASP A 17 -13.695 23.615 8.277 1.00 0.00 C ATOM 276 C ASP A 17 -13.226 24.460 7.076 1.00 0.00 C ATOM 277 O ASP A 17 -13.975 24.613 6.109 1.00 0.00 O ATOM 278 CB ASP A 17 -14.783 24.382 9.064 1.00 0.00 C ATOM 279 CG ASP A 17 -15.420 23.534 10.177 1.00 0.00 C ATOM 280 OD1 ASP A 17 -16.137 22.567 9.857 1.00 0.00 O ATOM 281 OD2 ASP A 17 -15.196 23.817 11.378 1.00 0.00 O ATOM 0 H ASP A 17 -12.530 23.833 10.022 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.097 22.689 7.866 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -14.344 25.279 9.502 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -15.560 24.712 8.374 1.00 0.00 H new ATOM 286 N ARG A 18 -11.986 24.989 7.154 1.00 0.00 N ATOM 287 CA ARG A 18 -11.388 25.891 6.127 1.00 0.00 C ATOM 288 C ARG A 18 -11.439 25.288 4.707 1.00 0.00 C ATOM 289 O ARG A 18 -11.884 25.941 3.741 1.00 0.00 O ATOM 290 CB ARG A 18 -9.916 26.197 6.528 1.00 0.00 C ATOM 291 CG ARG A 18 -9.778 27.104 7.765 1.00 0.00 C ATOM 292 CD ARG A 18 -10.175 28.563 7.476 1.00 0.00 C ATOM 293 NE ARG A 18 -9.159 29.291 6.688 1.00 0.00 N ATOM 294 CZ ARG A 18 -9.202 30.606 6.409 1.00 0.00 C ATOM 295 NH1 ARG A 18 -10.274 31.341 6.700 1.00 0.00 N ATOM 296 NH2 ARG A 18 -8.195 31.181 5.778 1.00 0.00 N ATOM 0 H ARG A 18 -11.359 24.804 7.937 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.976 26.808 6.097 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.400 25.256 6.721 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.412 26.670 5.685 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.402 26.714 8.569 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.748 27.075 8.119 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.123 28.576 6.938 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.337 29.084 8.420 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.367 28.757 6.329 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.084 30.908 7.143 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.285 32.337 6.479 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.384 30.628 5.502 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.228 32.178 5.567 1.00 0.00 H new ATOM 310 N PHE A 19 -11.036 24.017 4.620 1.00 0.00 N ATOM 311 CA PHE A 19 -10.899 23.297 3.347 1.00 0.00 C ATOM 312 C PHE A 19 -12.282 23.050 2.709 1.00 0.00 C ATOM 313 O PHE A 19 -12.419 23.060 1.489 1.00 0.00 O ATOM 314 CB PHE A 19 -10.150 21.949 3.589 1.00 0.00 C ATOM 315 CG PHE A 19 -8.788 22.099 4.274 1.00 0.00 C ATOM 316 CD1 PHE A 19 -8.687 22.205 5.663 1.00 0.00 C ATOM 317 CD2 PHE A 19 -7.611 22.152 3.526 1.00 0.00 C ATOM 318 CE1 PHE A 19 -7.460 22.362 6.276 1.00 0.00 C ATOM 319 CE2 PHE A 19 -6.387 22.313 4.139 1.00 0.00 C ATOM 320 CZ PHE A 19 -6.312 22.419 5.513 1.00 0.00 C ATOM 0 H PHE A 19 -10.794 23.454 5.435 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.318 23.905 2.654 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.780 21.301 4.198 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.009 21.448 2.631 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.582 22.164 6.266 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.660 22.066 2.451 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.399 22.440 7.351 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.487 22.356 3.544 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.352 22.547 5.992 1.00 0.00 H new ATOM 330 N PHE A 20 -13.316 22.935 3.558 1.00 0.00 N ATOM 331 CA PHE A 20 -14.705 22.654 3.130 1.00 0.00 C ATOM 332 C PHE A 20 -15.493 23.973 2.952 1.00 0.00 C ATOM 333 O PHE A 20 -16.559 23.993 2.332 1.00 0.00 O ATOM 334 CB PHE A 20 -15.375 21.735 4.187 1.00 0.00 C ATOM 335 CG PHE A 20 -14.520 20.515 4.527 1.00 0.00 C ATOM 336 CD1 PHE A 20 -14.410 19.457 3.634 1.00 0.00 C ATOM 337 CD2 PHE A 20 -13.795 20.448 5.717 1.00 0.00 C ATOM 338 CE1 PHE A 20 -13.614 18.367 3.917 1.00 0.00 C ATOM 339 CE2 PHE A 20 -12.992 19.358 5.994 1.00 0.00 C ATOM 340 CZ PHE A 20 -12.905 18.320 5.092 1.00 0.00 C ATOM 0 H PHE A 20 -13.216 23.034 4.568 1.00 0.00 H new ATOM 0 HA PHE A 20 -14.702 22.146 2.166 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -15.563 22.308 5.095 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -16.344 21.403 3.814 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -14.957 19.488 2.703 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -13.862 21.257 6.430 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -13.548 17.550 3.214 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -12.433 19.320 6.917 1.00 0.00 H new ATOM 0 HZ PHE A 20 -12.278 17.468 5.310 1.00 0.00 H new ATOM 350 N LYS A 21 -14.934 25.064 3.514 1.00 0.00 N ATOM 351 CA LYS A 21 -15.496 26.424 3.430 1.00 0.00 C ATOM 352 C LYS A 21 -15.347 26.959 2.000 1.00 0.00 C ATOM 353 O LYS A 21 -16.296 27.488 1.421 1.00 0.00 O ATOM 354 CB LYS A 21 -14.765 27.343 4.476 1.00 0.00 C ATOM 355 CG LYS A 21 -15.252 28.818 4.599 1.00 0.00 C ATOM 356 CD LYS A 21 -14.620 29.786 3.561 1.00 0.00 C ATOM 357 CE LYS A 21 -15.147 31.223 3.696 1.00 0.00 C ATOM 358 NZ LYS A 21 -14.624 32.107 2.622 1.00 0.00 N ATOM 0 H LYS A 21 -14.065 25.022 4.047 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.560 26.412 3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.856 26.876 5.456 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.704 27.358 4.227 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.336 28.841 4.488 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.027 29.181 5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.537 29.787 3.683 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.827 29.420 2.555 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.236 31.215 3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.862 31.625 4.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.002 33.067 2.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.585 32.135 2.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.918 31.738 1.695 1.00 0.00 H new ATOM 372 N LYS A 22 -14.127 26.837 1.451 1.00 0.00 N ATOM 373 CA LYS A 22 -13.774 27.427 0.131 1.00 0.00 C ATOM 374 C LYS A 22 -13.575 26.359 -0.969 1.00 0.00 C ATOM 375 O LYS A 22 -13.534 26.695 -2.161 1.00 0.00 O ATOM 376 CB LYS A 22 -12.502 28.288 0.312 1.00 0.00 C ATOM 377 CG LYS A 22 -11.304 27.523 0.914 1.00 0.00 C ATOM 378 CD LYS A 22 -10.233 28.445 1.531 1.00 0.00 C ATOM 379 CE LYS A 22 -10.759 29.265 2.716 1.00 0.00 C ATOM 380 NZ LYS A 22 -9.665 30.007 3.371 1.00 0.00 N ATOM 0 H LYS A 22 -13.359 26.334 1.897 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.605 28.045 -0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.210 28.694 -0.656 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.738 29.136 0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.668 26.839 1.680 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.844 26.914 0.136 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.388 27.841 1.861 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.860 29.123 0.764 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.521 29.963 2.370 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.237 28.603 3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.063 30.781 3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.130 29.363 3.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.030 30.400 2.647 1.00 0.00 H new ATOM 394 N GLY A 23 -13.428 25.086 -0.560 1.00 0.00 N ATOM 395 CA GLY A 23 -13.227 23.977 -1.506 1.00 0.00 C ATOM 396 C GLY A 23 -11.823 23.932 -2.118 1.00 0.00 C ATOM 397 O GLY A 23 -11.558 23.117 -3.015 1.00 0.00 O ATOM 0 H GLY A 23 -13.445 24.801 0.419 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.420 23.035 -0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.960 24.059 -2.308 1.00 0.00 H new ATOM 401 N LYS A 24 -10.925 24.806 -1.607 1.00 0.00 N ATOM 402 CA LYS A 24 -9.534 24.936 -2.069 1.00 0.00 C ATOM 403 C LYS A 24 -8.730 25.816 -1.082 1.00 0.00 C ATOM 404 O LYS A 24 -8.684 27.044 -1.196 1.00 0.00 O ATOM 405 CB LYS A 24 -9.471 25.461 -3.540 1.00 0.00 C ATOM 406 CG LYS A 24 -10.235 26.784 -3.814 1.00 0.00 C ATOM 407 CD LYS A 24 -10.457 27.039 -5.322 1.00 0.00 C ATOM 408 CE LYS A 24 -11.425 26.019 -5.954 1.00 0.00 C ATOM 409 NZ LYS A 24 -12.768 26.046 -5.303 1.00 0.00 N ATOM 0 H LYS A 24 -11.156 25.449 -0.850 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.069 23.950 -2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.425 25.604 -3.811 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.869 24.690 -4.199 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.200 26.754 -3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.677 27.617 -3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.851 28.045 -5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.499 26.996 -5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.533 26.232 -7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.002 25.018 -5.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.451 25.531 -5.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.710 25.594 -4.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.080 27.032 -5.192 1.00 0.00 H new ATOM 423 N ASP A 25 -8.121 25.157 -0.086 1.00 0.00 N ATOM 424 CA ASP A 25 -7.400 25.812 1.028 1.00 0.00 C ATOM 425 C ASP A 25 -5.917 25.359 1.002 1.00 0.00 C ATOM 426 O ASP A 25 -5.523 24.636 0.102 1.00 0.00 O ATOM 427 CB ASP A 25 -8.138 25.437 2.342 1.00 0.00 C ATOM 428 CG ASP A 25 -7.672 26.186 3.603 1.00 0.00 C ATOM 429 OD1 ASP A 25 -8.185 27.303 3.886 1.00 0.00 O ATOM 430 OD2 ASP A 25 -6.790 25.666 4.311 1.00 0.00 O ATOM 0 H ASP A 25 -8.112 24.139 -0.026 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.393 26.899 0.943 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.203 25.621 2.205 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.019 24.367 2.512 1.00 0.00 H new ATOM 435 N VAL A 26 -5.080 25.800 1.951 1.00 0.00 N ATOM 436 CA VAL A 26 -3.635 25.474 1.976 1.00 0.00 C ATOM 437 C VAL A 26 -3.240 25.021 3.385 1.00 0.00 C ATOM 438 O VAL A 26 -3.382 25.781 4.347 1.00 0.00 O ATOM 439 CB VAL A 26 -2.732 26.693 1.510 1.00 0.00 C ATOM 440 CG1 VAL A 26 -1.227 26.484 1.849 1.00 0.00 C ATOM 441 CG2 VAL A 26 -2.917 26.967 -0.005 1.00 0.00 C ATOM 0 H VAL A 26 -5.379 26.393 2.725 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.462 24.666 1.265 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.067 27.566 2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.654 27.347 1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.109 26.372 2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.863 25.587 1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.289 27.807 -0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.632 26.081 -0.572 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.961 27.206 -0.207 1.00 0.00 H new ATOM 451 N PHE A 27 -2.748 23.773 3.489 1.00 0.00 N ATOM 452 CA PHE A 27 -2.279 23.199 4.757 1.00 0.00 C ATOM 453 C PHE A 27 -0.757 23.388 4.861 1.00 0.00 C ATOM 454 O PHE A 27 0.000 22.777 4.099 1.00 0.00 O ATOM 455 CB PHE A 27 -2.661 21.693 4.868 1.00 0.00 C ATOM 456 CG PHE A 27 -2.421 21.094 6.253 1.00 0.00 C ATOM 457 CD1 PHE A 27 -3.296 21.367 7.303 1.00 0.00 C ATOM 458 CD2 PHE A 27 -1.329 20.268 6.514 1.00 0.00 C ATOM 459 CE1 PHE A 27 -3.088 20.840 8.558 1.00 0.00 C ATOM 460 CE2 PHE A 27 -1.127 19.738 7.771 1.00 0.00 C ATOM 461 CZ PHE A 27 -2.005 20.024 8.794 1.00 0.00 C ATOM 0 H PHE A 27 -2.666 23.137 2.696 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.765 23.716 5.584 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.713 21.575 4.609 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.087 21.128 4.134 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.152 22.003 7.129 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.632 20.040 5.721 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.776 21.067 9.359 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.278 19.097 7.954 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.844 19.609 9.778 1.00 0.00 H new ATOM 471 N VAL A 28 -0.315 24.256 5.789 1.00 0.00 N ATOM 472 CA VAL A 28 1.119 24.488 6.034 1.00 0.00 C ATOM 473 C VAL A 28 1.663 23.473 7.060 1.00 0.00 C ATOM 474 O VAL A 28 0.985 23.115 8.038 1.00 0.00 O ATOM 475 CB VAL A 28 1.439 25.967 6.485 1.00 0.00 C ATOM 476 CG1 VAL A 28 1.219 26.962 5.317 1.00 0.00 C ATOM 477 CG2 VAL A 28 0.619 26.390 7.726 1.00 0.00 C ATOM 0 H VAL A 28 -0.933 24.809 6.383 1.00 0.00 H new ATOM 0 HA VAL A 28 1.627 24.341 5.081 1.00 0.00 H new ATOM 0 HB VAL A 28 2.491 25.993 6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.446 27.974 5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.875 26.700 4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.181 26.913 4.988 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.873 27.414 7.998 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.445 26.329 7.497 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.850 25.725 8.558 1.00 0.00 H new ATOM 487 N LYS A 29 2.881 22.988 6.780 1.00 0.00 N ATOM 488 CA LYS A 29 3.626 22.033 7.615 1.00 0.00 C ATOM 489 C LYS A 29 5.022 22.609 7.947 1.00 0.00 C ATOM 490 O LYS A 29 5.693 23.095 7.054 1.00 0.00 O ATOM 491 CB LYS A 29 3.767 20.664 6.869 1.00 0.00 C ATOM 492 CG LYS A 29 2.496 19.774 6.845 1.00 0.00 C ATOM 493 CD LYS A 29 2.401 18.811 8.056 1.00 0.00 C ATOM 494 CE LYS A 29 2.161 19.497 9.415 1.00 0.00 C ATOM 495 NZ LYS A 29 2.315 18.547 10.542 1.00 0.00 N ATOM 0 H LYS A 29 3.392 23.258 5.939 1.00 0.00 H new ATOM 0 HA LYS A 29 3.081 21.868 8.544 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.069 20.862 5.840 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.574 20.099 7.335 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.613 20.413 6.827 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.486 19.191 5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.592 18.103 7.875 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.323 18.233 8.115 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.863 20.322 9.536 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.159 19.926 9.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.891 18.955 11.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.836 17.653 10.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.326 18.366 10.708 1.00 0.00 H new ATOM 509 N PRO A 30 5.478 22.577 9.238 1.00 0.00 N ATOM 510 CA PRO A 30 6.870 22.946 9.619 1.00 0.00 C ATOM 511 C PRO A 30 7.877 21.791 9.336 1.00 0.00 C ATOM 512 O PRO A 30 8.708 21.465 10.190 1.00 0.00 O ATOM 513 CB PRO A 30 6.743 23.271 11.146 1.00 0.00 C ATOM 514 CG PRO A 30 5.277 23.139 11.484 1.00 0.00 C ATOM 515 CD PRO A 30 4.679 22.244 10.431 1.00 0.00 C ATOM 0 HA PRO A 30 7.266 23.783 9.043 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.343 22.583 11.742 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.103 24.277 11.361 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.144 22.712 12.478 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.790 24.114 11.488 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.766 21.190 10.697 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.619 22.448 10.279 1.00 0.00 H new ATOM 523 N ALA A 31 7.805 21.237 8.102 1.00 0.00 N ATOM 524 CA ALA A 31 8.523 20.012 7.672 1.00 0.00 C ATOM 525 C ALA A 31 8.162 18.794 8.553 1.00 0.00 C ATOM 526 O ALA A 31 8.877 18.464 9.512 1.00 0.00 O ATOM 527 CB ALA A 31 10.060 20.205 7.606 1.00 0.00 C ATOM 0 H ALA A 31 7.232 21.639 7.360 1.00 0.00 H new ATOM 0 HA ALA A 31 8.183 19.810 6.656 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.530 19.275 7.286 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.297 20.996 6.894 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.435 20.480 8.592 1.00 0.00 H new ATOM 533 N THR A 32 7.020 18.164 8.256 1.00 0.00 N ATOM 534 CA THR A 32 6.638 16.876 8.857 1.00 0.00 C ATOM 535 C THR A 32 6.565 15.830 7.733 1.00 0.00 C ATOM 536 O THR A 32 7.462 14.992 7.581 1.00 0.00 O ATOM 537 CB THR A 32 5.272 16.975 9.627 1.00 0.00 C ATOM 538 OG1 THR A 32 5.288 18.092 10.537 1.00 0.00 O ATOM 539 CG2 THR A 32 4.933 15.688 10.405 1.00 0.00 C ATOM 0 H THR A 32 6.335 18.529 7.595 1.00 0.00 H new ATOM 0 HA THR A 32 7.385 16.583 9.595 1.00 0.00 H new ATOM 0 HB THR A 32 4.500 17.118 8.871 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.024 17.789 11.431 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.979 15.813 10.918 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.865 14.850 9.711 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.715 15.489 11.138 1.00 0.00 H new ATOM 547 N VAL A 33 5.513 15.940 6.912 1.00 0.00 N ATOM 548 CA VAL A 33 5.292 15.071 5.756 1.00 0.00 C ATOM 549 C VAL A 33 5.795 15.791 4.499 1.00 0.00 C ATOM 550 O VAL A 33 5.423 16.938 4.263 1.00 0.00 O ATOM 551 CB VAL A 33 3.772 14.671 5.636 1.00 0.00 C ATOM 552 CG1 VAL A 33 3.364 13.785 6.832 1.00 0.00 C ATOM 553 CG2 VAL A 33 2.836 15.909 5.526 1.00 0.00 C ATOM 0 H VAL A 33 4.785 16.644 7.036 1.00 0.00 H new ATOM 0 HA VAL A 33 5.849 14.142 5.877 1.00 0.00 H new ATOM 0 HB VAL A 33 3.655 14.107 4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.312 13.513 6.741 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.973 12.881 6.840 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.518 14.334 7.761 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.801 15.577 5.446 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.950 16.531 6.414 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.101 16.488 4.641 1.00 0.00 H new ATOM 563 N TRP A 34 6.670 15.129 3.718 1.00 0.00 N ATOM 564 CA TRP A 34 7.309 15.752 2.536 1.00 0.00 C ATOM 565 C TRP A 34 7.854 14.684 1.568 1.00 0.00 C ATOM 566 O TRP A 34 7.796 14.867 0.346 1.00 0.00 O ATOM 567 CB TRP A 34 8.443 16.737 2.958 1.00 0.00 C ATOM 568 CG TRP A 34 9.054 17.486 1.785 1.00 0.00 C ATOM 569 CD1 TRP A 34 8.475 18.495 1.060 1.00 0.00 C ATOM 570 CD2 TRP A 34 10.346 17.265 1.192 1.00 0.00 C ATOM 571 NE1 TRP A 34 9.323 18.904 0.059 1.00 0.00 N ATOM 572 CE2 TRP A 34 10.476 18.169 0.124 1.00 0.00 C ATOM 573 CE3 TRP A 34 11.402 16.387 1.468 1.00 0.00 C ATOM 574 CZ2 TRP A 34 11.618 18.221 -0.673 1.00 0.00 C ATOM 575 CZ3 TRP A 34 12.535 16.440 0.676 1.00 0.00 C ATOM 576 CH2 TRP A 34 12.636 17.355 -0.380 1.00 0.00 C ATOM 0 H TRP A 34 6.953 14.163 3.882 1.00 0.00 H new ATOM 0 HA TRP A 34 6.541 16.323 2.015 1.00 0.00 H new ATOM 0 HB2 TRP A 34 8.043 17.457 3.672 1.00 0.00 H new ATOM 0 HB3 TRP A 34 9.226 16.180 3.473 1.00 0.00 H new ATOM 0 HD1 TRP A 34 7.495 18.908 1.248 1.00 0.00 H new ATOM 0 HE1 TRP A 34 9.125 19.637 -0.622 1.00 0.00 H new ATOM 0 HE3 TRP A 34 11.333 15.682 2.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 11.697 18.920 -1.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 13.355 15.765 0.875 1.00 0.00 H new ATOM 0 HH2 TRP A 34 13.537 17.377 -0.976 1.00 0.00 H new ATOM 587 N LYS A 35 8.369 13.573 2.125 1.00 0.00 N ATOM 588 CA LYS A 35 9.036 12.499 1.347 1.00 0.00 C ATOM 589 C LYS A 35 8.131 11.923 0.234 1.00 0.00 C ATOM 590 O LYS A 35 8.581 11.737 -0.902 1.00 0.00 O ATOM 591 CB LYS A 35 9.487 11.365 2.296 1.00 0.00 C ATOM 592 CG LYS A 35 10.569 11.768 3.322 1.00 0.00 C ATOM 593 CD LYS A 35 10.868 10.641 4.339 1.00 0.00 C ATOM 594 CE LYS A 35 11.318 9.321 3.672 1.00 0.00 C ATOM 595 NZ LYS A 35 11.473 8.221 4.660 1.00 0.00 N ATOM 0 H LYS A 35 8.337 13.389 3.128 1.00 0.00 H new ATOM 0 HA LYS A 35 9.903 12.945 0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.615 10.994 2.835 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.866 10.538 1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.486 12.030 2.794 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.243 12.660 3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.645 10.977 5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.975 10.453 4.936 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.588 9.029 2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.265 9.480 3.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.776 7.355 4.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.188 8.487 5.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.564 8.050 5.135 1.00 0.00 H new ATOM 609 N GLU A 36 6.866 11.634 0.575 1.00 0.00 N ATOM 610 CA GLU A 36 5.885 11.096 -0.394 1.00 0.00 C ATOM 611 C GLU A 36 5.073 12.241 -1.034 1.00 0.00 C ATOM 612 O GLU A 36 4.435 12.051 -2.073 1.00 0.00 O ATOM 613 CB GLU A 36 4.930 10.087 0.298 1.00 0.00 C ATOM 614 CG GLU A 36 5.619 9.050 1.220 1.00 0.00 C ATOM 615 CD GLU A 36 6.779 8.267 0.563 1.00 0.00 C ATOM 616 OE1 GLU A 36 6.521 7.314 -0.196 1.00 0.00 O ATOM 617 OE2 GLU A 36 7.961 8.598 0.817 1.00 0.00 O ATOM 0 H GLU A 36 6.493 11.762 1.516 1.00 0.00 H new ATOM 0 HA GLU A 36 6.433 10.575 -1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.202 10.646 0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.374 9.552 -0.472 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.001 9.565 2.101 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.870 8.338 1.567 1.00 0.00 H new ATOM 624 N LEU A 37 5.102 13.423 -0.387 1.00 0.00 N ATOM 625 CA LEU A 37 4.336 14.610 -0.814 1.00 0.00 C ATOM 626 C LEU A 37 4.767 15.075 -2.210 1.00 0.00 C ATOM 627 O LEU A 37 5.874 15.593 -2.390 1.00 0.00 O ATOM 628 CB LEU A 37 4.471 15.766 0.236 1.00 0.00 C ATOM 629 CG LEU A 37 3.320 15.910 1.277 1.00 0.00 C ATOM 630 CD1 LEU A 37 2.049 16.457 0.613 1.00 0.00 C ATOM 631 CD2 LEU A 37 3.055 14.581 2.009 1.00 0.00 C ATOM 0 H LEU A 37 5.661 13.581 0.451 1.00 0.00 H new ATOM 0 HA LEU A 37 3.284 14.329 -0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.405 15.623 0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.559 16.708 -0.306 1.00 0.00 H new ATOM 0 HG LEU A 37 3.635 16.632 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.260 16.549 1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.256 17.436 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.727 15.775 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.247 14.716 2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.773 13.817 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.958 14.268 2.533 1.00 0.00 H new ATOM 643 N LYS A 38 3.880 14.847 -3.190 1.00 0.00 N ATOM 644 CA LYS A 38 4.025 15.361 -4.556 1.00 0.00 C ATOM 645 C LYS A 38 2.696 16.017 -4.989 1.00 0.00 C ATOM 646 O LYS A 38 1.621 15.577 -4.545 1.00 0.00 O ATOM 647 CB LYS A 38 4.496 14.211 -5.518 1.00 0.00 C ATOM 648 CG LYS A 38 3.477 13.071 -5.819 1.00 0.00 C ATOM 649 CD LYS A 38 2.532 13.367 -7.019 1.00 0.00 C ATOM 650 CE LYS A 38 3.282 13.506 -8.357 1.00 0.00 C ATOM 651 NZ LYS A 38 2.363 13.835 -9.478 1.00 0.00 N ATOM 0 H LYS A 38 3.034 14.294 -3.053 1.00 0.00 H new ATOM 0 HA LYS A 38 4.797 16.130 -4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.788 14.662 -6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.392 13.759 -5.091 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.026 12.151 -6.020 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.873 12.893 -4.929 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.798 12.566 -7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.980 14.286 -6.821 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.040 14.285 -8.269 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.805 12.576 -8.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.905 13.903 -10.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.645 13.088 -9.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.895 14.744 -9.288 1.00 0.00 H new ATOM 665 N PRO A 39 2.737 17.049 -5.889 1.00 0.00 N ATOM 666 CA PRO A 39 1.516 17.692 -6.412 1.00 0.00 C ATOM 667 C PRO A 39 0.776 16.741 -7.380 1.00 0.00 C ATOM 668 O PRO A 39 1.241 16.477 -8.500 1.00 0.00 O ATOM 669 CB PRO A 39 2.048 18.964 -7.114 1.00 0.00 C ATOM 670 CG PRO A 39 3.438 18.596 -7.540 1.00 0.00 C ATOM 671 CD PRO A 39 3.963 17.645 -6.480 1.00 0.00 C ATOM 0 HA PRO A 39 0.782 17.934 -5.643 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.428 19.236 -7.969 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.052 19.819 -6.438 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.432 18.122 -8.521 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.070 19.481 -7.617 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.608 16.881 -6.914 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.552 18.171 -5.729 1.00 0.00 H new ATOM 679 N GLY A 40 -0.314 16.159 -6.881 1.00 0.00 N ATOM 680 CA GLY A 40 -1.121 15.199 -7.633 1.00 0.00 C ATOM 681 C GLY A 40 -1.735 14.128 -6.736 1.00 0.00 C ATOM 682 O GLY A 40 -2.565 13.333 -7.192 1.00 0.00 O ATOM 0 H GLY A 40 -0.663 16.341 -5.940 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.916 15.729 -8.158 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.500 14.722 -8.392 1.00 0.00 H new ATOM 686 N MET A 41 -1.311 14.102 -5.455 1.00 0.00 N ATOM 687 CA MET A 41 -1.846 13.167 -4.444 1.00 0.00 C ATOM 688 C MET A 41 -3.197 13.654 -3.876 1.00 0.00 C ATOM 689 O MET A 41 -3.740 14.678 -4.299 1.00 0.00 O ATOM 690 CB MET A 41 -0.831 12.973 -3.275 1.00 0.00 C ATOM 691 CG MET A 41 0.509 12.325 -3.657 1.00 0.00 C ATOM 692 SD MET A 41 1.311 11.482 -2.267 1.00 0.00 S ATOM 693 CE MET A 41 1.214 12.698 -0.956 1.00 0.00 C ATOM 0 H MET A 41 -0.590 14.727 -5.094 1.00 0.00 H new ATOM 0 HA MET A 41 -2.006 12.212 -4.945 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.629 13.947 -2.829 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.303 12.362 -2.506 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.343 11.609 -4.462 1.00 0.00 H new ATOM 0 HG3 MET A 41 1.179 13.092 -4.045 1.00 0.00 H new ATOM 0 HE1 MET A 41 2.063 12.576 -0.283 1.00 0.00 H new ATOM 0 HE2 MET A 41 1.233 13.699 -1.386 1.00 0.00 H new ATOM 0 HE3 MET A 41 0.287 12.560 -0.400 1.00 0.00 H new ATOM 703 N LYS A 42 -3.734 12.880 -2.914 1.00 0.00 N ATOM 704 CA LYS A 42 -4.922 13.258 -2.122 1.00 0.00 C ATOM 705 C LYS A 42 -4.525 13.625 -0.689 1.00 0.00 C ATOM 706 O LYS A 42 -3.450 13.271 -0.223 1.00 0.00 O ATOM 707 CB LYS A 42 -5.986 12.128 -2.093 1.00 0.00 C ATOM 708 CG LYS A 42 -5.462 10.703 -1.837 1.00 0.00 C ATOM 709 CD LYS A 42 -6.602 9.692 -1.550 1.00 0.00 C ATOM 710 CE LYS A 42 -7.744 9.759 -2.588 1.00 0.00 C ATOM 711 NZ LYS A 42 -8.840 8.800 -2.296 1.00 0.00 N ATOM 0 H LYS A 42 -3.353 11.968 -2.662 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.363 14.127 -2.610 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.718 12.367 -1.321 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.515 12.132 -3.046 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.893 10.367 -2.704 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.774 10.719 -0.992 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.190 8.683 -1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.009 9.884 -0.557 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.149 10.771 -2.612 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.341 9.553 -3.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.107 8.301 -3.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.518 8.110 -1.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.664 9.316 -1.927 1.00 0.00 H new ATOM 725 N PHE A 43 -5.413 14.332 0.008 1.00 0.00 N ATOM 726 CA PHE A 43 -5.237 14.664 1.431 1.00 0.00 C ATOM 727 C PHE A 43 -6.572 14.430 2.134 1.00 0.00 C ATOM 728 O PHE A 43 -7.489 15.243 2.013 1.00 0.00 O ATOM 729 CB PHE A 43 -4.762 16.125 1.598 1.00 0.00 C ATOM 730 CG PHE A 43 -4.113 16.505 2.937 1.00 0.00 C ATOM 731 CD1 PHE A 43 -4.672 16.136 4.161 1.00 0.00 C ATOM 732 CD2 PHE A 43 -2.948 17.281 2.961 1.00 0.00 C ATOM 733 CE1 PHE A 43 -4.094 16.520 5.351 1.00 0.00 C ATOM 734 CE2 PHE A 43 -2.372 17.658 4.154 1.00 0.00 C ATOM 735 CZ PHE A 43 -2.945 17.279 5.347 1.00 0.00 C ATOM 0 H PHE A 43 -6.278 14.694 -0.394 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.470 14.031 1.876 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.048 16.340 0.803 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -5.620 16.779 1.441 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.572 15.540 4.176 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.494 17.589 2.030 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.543 16.225 6.288 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.470 18.252 4.154 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.493 17.577 6.281 1.00 0.00 H new ATOM 745 N VAL A 44 -6.676 13.309 2.836 1.00 0.00 N ATOM 746 CA VAL A 44 -7.896 12.928 3.534 1.00 0.00 C ATOM 747 C VAL A 44 -7.902 13.539 4.945 1.00 0.00 C ATOM 748 O VAL A 44 -6.969 13.350 5.731 1.00 0.00 O ATOM 749 CB VAL A 44 -8.044 11.371 3.566 1.00 0.00 C ATOM 750 CG1 VAL A 44 -9.350 10.940 4.263 1.00 0.00 C ATOM 751 CG2 VAL A 44 -7.968 10.804 2.124 1.00 0.00 C ATOM 0 H VAL A 44 -5.915 12.637 2.937 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.760 13.321 2.998 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.220 10.961 4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.419 9.852 4.266 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.353 11.307 5.289 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.203 11.356 3.727 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.072 9.719 2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.772 11.229 1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.007 11.065 1.681 1.00 0.00 H new ATOM 761 N PHE A 45 -8.942 14.319 5.237 1.00 0.00 N ATOM 762 CA PHE A 45 -9.088 15.014 6.519 1.00 0.00 C ATOM 763 C PHE A 45 -9.897 14.139 7.488 1.00 0.00 C ATOM 764 O PHE A 45 -11.029 13.731 7.180 1.00 0.00 O ATOM 765 CB PHE A 45 -9.765 16.389 6.294 1.00 0.00 C ATOM 766 CG PHE A 45 -9.099 17.218 5.201 1.00 0.00 C ATOM 767 CD1 PHE A 45 -7.841 17.781 5.397 1.00 0.00 C ATOM 768 CD2 PHE A 45 -9.723 17.421 3.974 1.00 0.00 C ATOM 769 CE1 PHE A 45 -7.231 18.518 4.403 1.00 0.00 C ATOM 770 CE2 PHE A 45 -9.114 18.158 2.989 1.00 0.00 C ATOM 771 CZ PHE A 45 -7.867 18.705 3.199 1.00 0.00 C ATOM 0 H PHE A 45 -9.711 14.489 4.589 1.00 0.00 H new ATOM 0 HA PHE A 45 -8.107 15.191 6.961 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.812 16.232 6.034 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -9.749 16.951 7.228 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.335 17.639 6.341 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.698 16.993 3.794 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.254 18.948 4.571 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -9.615 18.310 2.044 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.390 19.280 2.419 1.00 0.00 H new ATOM 781 N TYR A 46 -9.268 13.814 8.621 1.00 0.00 N ATOM 782 CA TYR A 46 -9.882 13.095 9.741 1.00 0.00 C ATOM 783 C TYR A 46 -10.568 14.120 10.691 1.00 0.00 C ATOM 784 O TYR A 46 -10.471 15.331 10.466 1.00 0.00 O ATOM 785 CB TYR A 46 -8.767 12.250 10.440 1.00 0.00 C ATOM 786 CG TYR A 46 -9.225 11.415 11.645 1.00 0.00 C ATOM 787 CD1 TYR A 46 -10.003 10.269 11.473 1.00 0.00 C ATOM 788 CD2 TYR A 46 -8.917 11.795 12.956 1.00 0.00 C ATOM 789 CE1 TYR A 46 -10.457 9.546 12.556 1.00 0.00 C ATOM 790 CE2 TYR A 46 -9.361 11.066 14.038 1.00 0.00 C ATOM 791 CZ TYR A 46 -10.134 9.946 13.833 1.00 0.00 C ATOM 792 OH TYR A 46 -10.595 9.222 14.911 1.00 0.00 O ATOM 0 H TYR A 46 -8.290 14.050 8.789 1.00 0.00 H new ATOM 0 HA TYR A 46 -10.662 12.409 9.411 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.328 11.579 9.702 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -7.976 12.925 10.768 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.254 9.943 10.474 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.319 12.678 13.124 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -11.065 8.667 12.402 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.104 11.372 15.041 1.00 0.00 H new ATOM 0 HH TYR A 46 -10.278 9.635 15.742 1.00 0.00 H new ATOM 896 N PHE A 54 -13.467 10.361 9.411 1.00 0.00 N ATOM 897 CA PHE A 54 -13.049 11.114 8.219 1.00 0.00 C ATOM 898 C PHE A 54 -14.170 12.068 7.752 1.00 0.00 C ATOM 899 O PHE A 54 -15.246 11.622 7.337 1.00 0.00 O ATOM 900 CB PHE A 54 -12.633 10.144 7.090 1.00 0.00 C ATOM 901 CG PHE A 54 -11.338 9.375 7.348 1.00 0.00 C ATOM 902 CD1 PHE A 54 -10.146 10.062 7.567 1.00 0.00 C ATOM 903 CD2 PHE A 54 -11.293 7.980 7.343 1.00 0.00 C ATOM 904 CE1 PHE A 54 -8.960 9.388 7.773 1.00 0.00 C ATOM 905 CE2 PHE A 54 -10.103 7.308 7.552 1.00 0.00 C ATOM 906 CZ PHE A 54 -8.935 8.015 7.765 1.00 0.00 C ATOM 0 HA PHE A 54 -12.184 11.724 8.479 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -13.439 9.427 6.931 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.524 10.711 6.165 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -10.150 11.142 7.576 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.200 7.418 7.174 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.048 9.942 7.941 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -10.086 6.228 7.549 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.005 7.489 7.925 1.00 0.00 H new ATOM 916 N VAL A 55 -13.903 13.384 7.867 1.00 0.00 N ATOM 917 CA VAL A 55 -14.825 14.450 7.437 1.00 0.00 C ATOM 918 C VAL A 55 -14.855 14.565 5.907 1.00 0.00 C ATOM 919 O VAL A 55 -15.915 14.802 5.323 1.00 0.00 O ATOM 920 CB VAL A 55 -14.464 15.837 8.105 1.00 0.00 C ATOM 921 CG1 VAL A 55 -12.974 16.198 7.959 1.00 0.00 C ATOM 922 CG2 VAL A 55 -15.366 16.992 7.616 1.00 0.00 C ATOM 0 H VAL A 55 -13.033 13.738 8.265 1.00 0.00 H new ATOM 0 HA VAL A 55 -15.824 14.176 7.776 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.662 15.703 9.168 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.784 17.160 8.436 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.365 15.430 8.436 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.717 16.260 6.902 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.071 17.918 8.109 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.259 17.105 6.537 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.405 16.769 7.856 1.00 0.00 H new ATOM 932 N GLY A 56 -13.695 14.375 5.266 1.00 0.00 N ATOM 933 CA GLY A 56 -13.603 14.471 3.812 1.00 0.00 C ATOM 934 C GLY A 56 -12.218 14.166 3.299 1.00 0.00 C ATOM 935 O GLY A 56 -11.404 13.569 4.006 1.00 0.00 O ATOM 0 H GLY A 56 -12.815 14.155 5.732 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.315 13.780 3.360 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.890 15.475 3.499 1.00 0.00 H new ATOM 939 N GLU A 57 -11.968 14.565 2.051 1.00 0.00 N ATOM 940 CA GLU A 57 -10.650 14.488 1.418 1.00 0.00 C ATOM 941 C GLU A 57 -10.452 15.711 0.523 1.00 0.00 C ATOM 942 O GLU A 57 -11.318 16.576 0.444 1.00 0.00 O ATOM 943 CB GLU A 57 -10.451 13.174 0.604 1.00 0.00 C ATOM 944 CG GLU A 57 -11.397 12.992 -0.599 1.00 0.00 C ATOM 945 CD GLU A 57 -10.886 11.963 -1.626 1.00 0.00 C ATOM 946 OE1 GLU A 57 -10.909 10.745 -1.337 1.00 0.00 O ATOM 947 OE2 GLU A 57 -10.457 12.366 -2.726 1.00 0.00 O ATOM 0 H GLU A 57 -12.686 14.957 1.442 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.899 14.477 2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.423 13.142 0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.580 12.327 1.277 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.377 12.679 -0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.532 13.953 -1.095 1.00 0.00 H new ATOM 954 N ALA A 58 -9.282 15.790 -0.104 1.00 0.00 N ATOM 955 CA ALA A 58 -8.935 16.833 -1.084 1.00 0.00 C ATOM 956 C ALA A 58 -7.825 16.314 -1.982 1.00 0.00 C ATOM 957 O ALA A 58 -7.501 15.126 -1.938 1.00 0.00 O ATOM 958 CB ALA A 58 -8.516 18.121 -0.384 1.00 0.00 C ATOM 0 H ALA A 58 -8.528 15.121 0.053 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.810 17.066 -1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -8.265 18.875 -1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.337 18.482 0.235 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.646 17.928 0.244 1.00 0.00 H new ATOM 964 N ARG A 59 -7.273 17.191 -2.836 1.00 0.00 N ATOM 965 CA ARG A 59 -6.172 16.842 -3.735 1.00 0.00 C ATOM 966 C ARG A 59 -5.006 17.815 -3.541 1.00 0.00 C ATOM 967 O ARG A 59 -5.156 19.031 -3.709 1.00 0.00 O ATOM 968 CB ARG A 59 -6.674 16.807 -5.196 1.00 0.00 C ATOM 969 CG ARG A 59 -7.789 15.758 -5.435 1.00 0.00 C ATOM 970 CD ARG A 59 -7.314 14.307 -5.187 1.00 0.00 C ATOM 971 NE ARG A 59 -8.442 13.368 -5.054 1.00 0.00 N ATOM 972 CZ ARG A 59 -8.426 12.065 -5.388 1.00 0.00 C ATOM 973 NH1 ARG A 59 -7.337 11.497 -5.900 1.00 0.00 N ATOM 974 NH2 ARG A 59 -9.513 11.338 -5.190 1.00 0.00 N ATOM 0 H ARG A 59 -7.580 18.160 -2.919 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.802 15.845 -3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.049 17.794 -5.468 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.834 16.592 -5.857 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.632 15.976 -4.780 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.150 15.846 -6.460 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.674 13.990 -6.011 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.708 14.275 -4.282 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.313 13.739 -4.675 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.493 12.051 -6.046 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.346 10.507 -6.147 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.347 11.767 -4.789 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.517 10.349 -5.438 1.00 0.00 H new ATOM 988 N ILE A 60 -3.872 17.240 -3.117 1.00 0.00 N ATOM 989 CA ILE A 60 -2.600 17.938 -2.956 1.00 0.00 C ATOM 990 C ILE A 60 -2.103 18.440 -4.318 1.00 0.00 C ATOM 991 O ILE A 60 -2.013 17.676 -5.284 1.00 0.00 O ATOM 992 CB ILE A 60 -1.543 16.979 -2.289 1.00 0.00 C ATOM 993 CG1 ILE A 60 -1.891 16.747 -0.777 1.00 0.00 C ATOM 994 CG2 ILE A 60 -0.085 17.490 -2.463 1.00 0.00 C ATOM 995 CD1 ILE A 60 -1.301 15.480 -0.187 1.00 0.00 C ATOM 0 H ILE A 60 -3.818 16.251 -2.872 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.740 18.800 -2.304 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.598 16.022 -2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.537 17.601 -0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.975 16.715 -0.667 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.604 16.793 -1.986 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.151 17.563 -3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.014 18.472 -2.001 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.590 15.397 0.861 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.674 14.615 -0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.214 15.516 -0.261 1.00 0.00 H new ATOM 1007 N LYS A 61 -1.841 19.737 -4.369 1.00 0.00 N ATOM 1008 CA LYS A 61 -1.282 20.443 -5.521 1.00 0.00 C ATOM 1009 C LYS A 61 -0.154 21.361 -5.007 1.00 0.00 C ATOM 1010 O LYS A 61 0.231 21.235 -3.829 1.00 0.00 O ATOM 1011 CB LYS A 61 -2.420 21.223 -6.246 1.00 0.00 C ATOM 1012 CG LYS A 61 -3.394 20.326 -7.048 1.00 0.00 C ATOM 1013 CD LYS A 61 -2.747 19.623 -8.266 1.00 0.00 C ATOM 1014 CE LYS A 61 -2.367 20.609 -9.377 1.00 0.00 C ATOM 1015 NZ LYS A 61 -1.754 19.938 -10.543 1.00 0.00 N ATOM 0 H LYS A 61 -2.018 20.356 -3.578 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.856 19.758 -6.254 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.988 21.785 -5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.972 21.950 -6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.806 19.568 -6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.230 20.934 -7.394 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.856 19.086 -7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.439 18.881 -8.664 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.257 21.149 -9.699 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.671 21.348 -8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.515 20.647 -11.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.889 19.444 -10.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.426 19.251 -10.941 1.00 0.00 H new ATOM 1029 N ARG A 62 0.324 22.280 -5.885 1.00 0.00 N ATOM 1030 CA ARG A 62 1.529 23.145 -5.687 1.00 0.00 C ATOM 1031 C ARG A 62 1.988 23.306 -4.212 1.00 0.00 C ATOM 1032 O ARG A 62 1.306 23.935 -3.395 1.00 0.00 O ATOM 1033 CB ARG A 62 1.211 24.530 -6.319 1.00 0.00 C ATOM 1034 CG ARG A 62 2.189 25.672 -5.984 1.00 0.00 C ATOM 1035 CD ARG A 62 1.815 26.995 -6.682 1.00 0.00 C ATOM 1036 NE ARG A 62 0.440 27.445 -6.360 1.00 0.00 N ATOM 1037 CZ ARG A 62 -0.060 28.661 -6.643 1.00 0.00 C ATOM 1038 NH1 ARG A 62 0.696 29.602 -7.207 1.00 0.00 N ATOM 1039 NH2 ARG A 62 -1.326 28.929 -6.352 1.00 0.00 N ATOM 0 H ARG A 62 -0.130 22.449 -6.782 1.00 0.00 H new ATOM 0 HA ARG A 62 2.372 22.654 -6.172 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.179 24.413 -7.402 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.212 24.830 -6.002 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.206 25.827 -4.905 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.197 25.381 -6.280 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.524 27.769 -6.388 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.908 26.871 -7.761 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.174 26.782 -5.888 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.671 29.406 -7.431 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.299 30.519 -7.414 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.911 28.216 -5.917 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.714 29.848 -6.563 1.00 0.00 H new ATOM 1053 N VAL A 63 3.145 22.702 -3.893 1.00 0.00 N ATOM 1054 CA VAL A 63 3.730 22.745 -2.547 1.00 0.00 C ATOM 1055 C VAL A 63 4.910 23.748 -2.545 1.00 0.00 C ATOM 1056 O VAL A 63 5.932 23.542 -3.205 1.00 0.00 O ATOM 1057 CB VAL A 63 4.143 21.297 -2.032 1.00 0.00 C ATOM 1058 CG1 VAL A 63 2.887 20.399 -1.860 1.00 0.00 C ATOM 1059 CG2 VAL A 63 5.176 20.602 -2.960 1.00 0.00 C ATOM 0 H VAL A 63 3.700 22.170 -4.564 1.00 0.00 H new ATOM 0 HA VAL A 63 2.982 23.095 -1.836 1.00 0.00 H new ATOM 0 HB VAL A 63 4.624 21.435 -1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.190 19.413 -1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.212 20.852 -1.134 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.376 20.300 -2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.421 19.618 -2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.752 20.492 -3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.081 21.207 -3.014 1.00 0.00 H new ATOM 1069 N VAL A 64 4.710 24.888 -1.861 1.00 0.00 N ATOM 1070 CA VAL A 64 5.713 25.964 -1.766 1.00 0.00 C ATOM 1071 C VAL A 64 6.584 25.753 -0.518 1.00 0.00 C ATOM 1072 O VAL A 64 6.077 25.743 0.603 1.00 0.00 O ATOM 1073 CB VAL A 64 5.008 27.373 -1.725 1.00 0.00 C ATOM 1074 CG1 VAL A 64 6.015 28.522 -1.452 1.00 0.00 C ATOM 1075 CG2 VAL A 64 4.217 27.622 -3.037 1.00 0.00 C ATOM 0 H VAL A 64 3.846 25.090 -1.357 1.00 0.00 H new ATOM 0 HA VAL A 64 6.352 25.934 -2.648 1.00 0.00 H new ATOM 0 HB VAL A 64 4.305 27.365 -0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.484 29.474 -1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.502 28.358 -0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.767 28.542 -2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.736 28.599 -2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.901 27.593 -3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.458 26.849 -3.156 1.00 0.00 H new ATOM 1085 N LEU A 65 7.893 25.558 -0.737 1.00 0.00 N ATOM 1086 CA LEU A 65 8.879 25.360 0.337 1.00 0.00 C ATOM 1087 C LEU A 65 9.533 26.710 0.690 1.00 0.00 C ATOM 1088 O LEU A 65 10.073 27.384 -0.193 1.00 0.00 O ATOM 1089 CB LEU A 65 9.973 24.342 -0.115 1.00 0.00 C ATOM 1090 CG LEU A 65 9.476 22.951 -0.641 1.00 0.00 C ATOM 1091 CD1 LEU A 65 10.660 22.041 -1.055 1.00 0.00 C ATOM 1092 CD2 LEU A 65 8.565 22.248 0.381 1.00 0.00 C ATOM 0 H LEU A 65 8.301 25.533 -1.672 1.00 0.00 H new ATOM 0 HA LEU A 65 8.373 24.961 1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.567 24.809 -0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.642 24.166 0.728 1.00 0.00 H new ATOM 0 HG LEU A 65 8.880 23.142 -1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.277 21.086 -1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.230 22.524 -1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.307 21.872 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.241 21.288 -0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.115 22.087 1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.693 22.871 0.580 1.00 0.00 H new ATOM 1104 N SER A 66 9.448 27.111 1.965 1.00 0.00 N ATOM 1105 CA SER A 66 10.156 28.289 2.496 1.00 0.00 C ATOM 1106 C SER A 66 10.412 28.118 3.996 1.00 0.00 C ATOM 1107 O SER A 66 9.515 27.707 4.728 1.00 0.00 O ATOM 1108 CB SER A 66 9.350 29.578 2.256 1.00 0.00 C ATOM 1109 OG SER A 66 10.080 30.715 2.698 1.00 0.00 O ATOM 0 H SER A 66 8.884 26.626 2.663 1.00 0.00 H new ATOM 0 HA SER A 66 11.107 28.373 1.970 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.120 29.677 1.195 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.399 29.522 2.785 1.00 0.00 H new ATOM 0 HG SER A 66 10.503 31.151 1.929 1.00 0.00 H new ATOM 1115 N GLU A 67 11.626 28.474 4.453 1.00 0.00 N ATOM 1116 CA GLU A 67 11.984 28.434 5.881 1.00 0.00 C ATOM 1117 C GLU A 67 11.187 29.461 6.717 1.00 0.00 C ATOM 1118 O GLU A 67 11.137 29.363 7.947 1.00 0.00 O ATOM 1119 CB GLU A 67 13.499 28.664 6.075 1.00 0.00 C ATOM 1120 CG GLU A 67 14.398 27.529 5.582 1.00 0.00 C ATOM 1121 CD GLU A 67 15.880 27.730 5.928 1.00 0.00 C ATOM 1122 OE1 GLU A 67 16.597 28.388 5.146 1.00 0.00 O ATOM 1123 OE2 GLU A 67 16.333 27.251 6.990 1.00 0.00 O ATOM 0 H GLU A 67 12.381 28.795 3.847 1.00 0.00 H new ATOM 0 HA GLU A 67 11.721 27.439 6.240 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.781 29.580 5.556 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.693 28.825 7.135 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.056 26.590 6.016 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.294 27.437 4.501 1.00 0.00 H new ATOM 1130 N ASN A 68 10.593 30.461 6.040 1.00 0.00 N ATOM 1131 CA ASN A 68 9.766 31.486 6.692 1.00 0.00 C ATOM 1132 C ASN A 68 8.287 31.083 6.539 1.00 0.00 C ATOM 1133 O ASN A 68 7.811 30.938 5.405 1.00 0.00 O ATOM 1134 CB ASN A 68 10.008 32.887 6.059 1.00 0.00 C ATOM 1135 CG ASN A 68 11.490 33.222 5.844 1.00 0.00 C ATOM 1136 OD1 ASN A 68 12.360 32.792 6.606 1.00 0.00 O ATOM 1137 ND2 ASN A 68 11.787 33.992 4.803 1.00 0.00 N ATOM 0 H ASN A 68 10.674 30.579 5.030 1.00 0.00 H new ATOM 0 HA ASN A 68 10.034 31.551 7.746 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.491 32.936 5.101 1.00 0.00 H new ATOM 0 HB3 ASN A 68 9.563 33.647 6.701 1.00 0.00 H new ATOM 0 HD21 ASN A 68 12.757 34.244 4.615 1.00 0.00 H new ATOM 0 HD22 ASN A 68 11.045 34.332 4.192 1.00 0.00 H new ATOM 1144 N PRO A 69 7.527 30.888 7.663 1.00 0.00 N ATOM 1145 CA PRO A 69 6.076 30.590 7.600 1.00 0.00 C ATOM 1146 C PRO A 69 5.265 31.770 7.013 1.00 0.00 C ATOM 1147 O PRO A 69 4.223 31.567 6.382 1.00 0.00 O ATOM 1148 CB PRO A 69 5.696 30.316 9.079 1.00 0.00 C ATOM 1149 CG PRO A 69 6.755 31.011 9.882 1.00 0.00 C ATOM 1150 CD PRO A 69 8.021 30.902 9.065 1.00 0.00 C ATOM 0 HA PRO A 69 5.852 29.750 6.942 1.00 0.00 H new ATOM 0 HB2 PRO A 69 4.705 30.705 9.311 1.00 0.00 H new ATOM 0 HB3 PRO A 69 5.677 29.247 9.291 1.00 0.00 H new ATOM 0 HG2 PRO A 69 6.491 32.054 10.059 1.00 0.00 H new ATOM 0 HG3 PRO A 69 6.877 30.543 10.859 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.690 31.743 9.247 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.577 29.995 9.304 1.00 0.00 H new ATOM 1158 N MET A 70 5.812 32.995 7.162 1.00 0.00 N ATOM 1159 CA MET A 70 5.109 34.251 6.826 1.00 0.00 C ATOM 1160 C MET A 70 5.010 34.434 5.303 1.00 0.00 C ATOM 1161 O MET A 70 4.121 35.145 4.812 1.00 0.00 O ATOM 1162 CB MET A 70 5.840 35.447 7.482 1.00 0.00 C ATOM 1163 CG MET A 70 5.985 35.342 9.009 1.00 0.00 C ATOM 1164 SD MET A 70 7.170 36.528 9.676 1.00 0.00 S ATOM 1165 CE MET A 70 8.691 36.008 8.868 1.00 0.00 C ATOM 0 H MET A 70 6.756 33.141 7.520 1.00 0.00 H new ATOM 0 HA MET A 70 4.093 34.203 7.217 1.00 0.00 H new ATOM 0 HB2 MET A 70 6.832 35.537 7.040 1.00 0.00 H new ATOM 0 HB3 MET A 70 5.300 36.363 7.243 1.00 0.00 H new ATOM 0 HG2 MET A 70 5.013 35.504 9.475 1.00 0.00 H new ATOM 0 HG3 MET A 70 6.300 34.332 9.272 1.00 0.00 H new ATOM 0 HE1 MET A 70 9.544 36.281 9.488 1.00 0.00 H new ATOM 0 HE2 MET A 70 8.677 34.927 8.726 1.00 0.00 H new ATOM 0 HE3 MET A 70 8.775 36.500 7.899 1.00 0.00 H new ATOM 1175 N GLN A 71 5.924 33.751 4.575 1.00 0.00 N ATOM 1176 CA GLN A 71 5.944 33.708 3.099 1.00 0.00 C ATOM 1177 C GLN A 71 4.619 33.177 2.531 1.00 0.00 C ATOM 1178 O GLN A 71 4.177 33.609 1.472 1.00 0.00 O ATOM 1179 CB GLN A 71 7.127 32.836 2.601 1.00 0.00 C ATOM 1180 CG GLN A 71 8.518 33.479 2.767 1.00 0.00 C ATOM 1181 CD GLN A 71 8.810 34.590 1.758 1.00 0.00 C ATOM 1182 OE1 GLN A 71 9.354 34.337 0.681 1.00 0.00 O ATOM 1183 NE2 GLN A 71 8.439 35.820 2.079 1.00 0.00 N ATOM 0 H GLN A 71 6.675 33.210 5.003 1.00 0.00 H new ATOM 0 HA GLN A 71 6.076 34.729 2.740 1.00 0.00 H new ATOM 0 HB2 GLN A 71 7.114 31.888 3.140 1.00 0.00 H new ATOM 0 HB3 GLN A 71 6.972 32.606 1.547 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.602 33.885 3.775 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.279 32.705 2.671 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.991 35.999 2.978 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.601 36.588 1.428 1.00 0.00 H new ATOM 1192 N PHE A 72 3.988 32.255 3.256 1.00 0.00 N ATOM 1193 CA PHE A 72 2.737 31.616 2.817 1.00 0.00 C ATOM 1194 C PHE A 72 1.532 32.524 3.100 1.00 0.00 C ATOM 1195 O PHE A 72 0.557 32.521 2.348 1.00 0.00 O ATOM 1196 CB PHE A 72 2.574 30.257 3.529 1.00 0.00 C ATOM 1197 CG PHE A 72 3.846 29.418 3.507 1.00 0.00 C ATOM 1198 CD1 PHE A 72 4.561 29.226 2.322 1.00 0.00 C ATOM 1199 CD2 PHE A 72 4.335 28.839 4.670 1.00 0.00 C ATOM 1200 CE1 PHE A 72 5.719 28.478 2.310 1.00 0.00 C ATOM 1201 CE2 PHE A 72 5.489 28.097 4.651 1.00 0.00 C ATOM 1202 CZ PHE A 72 6.183 27.915 3.474 1.00 0.00 C ATOM 0 H PHE A 72 4.323 31.927 4.162 1.00 0.00 H new ATOM 0 HA PHE A 72 2.783 31.451 1.741 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.276 30.428 4.563 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.768 29.698 3.053 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.202 29.669 1.405 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.802 28.974 5.599 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.261 28.335 1.387 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.856 27.653 5.564 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.091 27.330 3.467 1.00 0.00 H new ATOM 1212 N PHE A 73 1.632 33.319 4.177 1.00 0.00 N ATOM 1213 CA PHE A 73 0.554 34.228 4.611 1.00 0.00 C ATOM 1214 C PHE A 73 0.524 35.513 3.767 1.00 0.00 C ATOM 1215 O PHE A 73 -0.466 36.243 3.796 1.00 0.00 O ATOM 1216 CB PHE A 73 0.715 34.565 6.115 1.00 0.00 C ATOM 1217 CG PHE A 73 0.595 33.340 7.011 1.00 0.00 C ATOM 1218 CD1 PHE A 73 -0.636 32.743 7.234 1.00 0.00 C ATOM 1219 CD2 PHE A 73 1.711 32.774 7.613 1.00 0.00 C ATOM 1220 CE1 PHE A 73 -0.741 31.623 8.029 1.00 0.00 C ATOM 1221 CE2 PHE A 73 1.600 31.654 8.407 1.00 0.00 C ATOM 1222 CZ PHE A 73 0.376 31.079 8.615 1.00 0.00 C ATOM 0 H PHE A 73 2.460 33.351 4.772 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.398 33.718 4.462 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.686 35.033 6.276 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.042 35.295 6.402 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.522 33.160 6.780 1.00 0.00 H new ATOM 0 HD2 PHE A 73 2.682 33.219 7.456 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.708 31.170 8.193 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.480 31.229 8.866 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.288 30.201 9.238 1.00 0.00 H new ATOM 1232 N GLU A 74 1.626 35.807 3.058 1.00 0.00 N ATOM 1233 CA GLU A 74 1.670 36.921 2.085 1.00 0.00 C ATOM 1234 C GLU A 74 1.365 36.424 0.650 1.00 0.00 C ATOM 1235 O GLU A 74 0.704 37.130 -0.127 1.00 0.00 O ATOM 1236 CB GLU A 74 3.041 37.642 2.166 1.00 0.00 C ATOM 1237 CG GLU A 74 4.252 36.757 1.848 1.00 0.00 C ATOM 1238 CD GLU A 74 5.606 37.420 2.147 1.00 0.00 C ATOM 1239 OE1 GLU A 74 6.113 37.278 3.290 1.00 0.00 O ATOM 1240 OE2 GLU A 74 6.174 38.072 1.249 1.00 0.00 O ATOM 0 H GLU A 74 2.502 35.290 3.138 1.00 0.00 H new ATOM 0 HA GLU A 74 0.893 37.641 2.341 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.034 38.485 1.476 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.162 38.052 3.169 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.176 35.834 2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.220 36.479 0.794 1.00 0.00 H new ATOM 1247 N THR A 75 1.845 35.204 0.307 1.00 0.00 N ATOM 1248 CA THR A 75 1.672 34.621 -1.043 1.00 0.00 C ATOM 1249 C THR A 75 0.219 34.128 -1.247 1.00 0.00 C ATOM 1250 O THR A 75 -0.466 34.551 -2.186 1.00 0.00 O ATOM 1251 CB THR A 75 2.687 33.446 -1.283 1.00 0.00 C ATOM 1252 OG1 THR A 75 4.029 33.948 -1.189 1.00 0.00 O ATOM 1253 CG2 THR A 75 2.499 32.748 -2.646 1.00 0.00 C ATOM 0 H THR A 75 2.358 34.603 0.952 1.00 0.00 H new ATOM 0 HA THR A 75 1.877 35.404 -1.773 1.00 0.00 H new ATOM 0 HB THR A 75 2.494 32.699 -0.513 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.294 33.999 -0.247 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.231 31.947 -2.748 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.494 32.331 -2.706 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.639 33.472 -3.448 1.00 0.00 H new ATOM 1261 N PHE A 76 -0.230 33.227 -0.357 1.00 0.00 N ATOM 1262 CA PHE A 76 -1.598 32.679 -0.379 1.00 0.00 C ATOM 1263 C PHE A 76 -2.508 33.530 0.530 1.00 0.00 C ATOM 1264 O PHE A 76 -3.475 34.141 0.062 1.00 0.00 O ATOM 1265 CB PHE A 76 -1.594 31.199 0.088 1.00 0.00 C ATOM 1266 CG PHE A 76 -0.753 30.259 -0.764 1.00 0.00 C ATOM 1267 CD1 PHE A 76 -1.235 29.792 -1.987 1.00 0.00 C ATOM 1268 CD2 PHE A 76 0.503 29.828 -0.340 1.00 0.00 C ATOM 1269 CE1 PHE A 76 -0.486 28.928 -2.761 1.00 0.00 C ATOM 1270 CE2 PHE A 76 1.253 28.965 -1.117 1.00 0.00 C ATOM 1271 CZ PHE A 76 0.757 28.513 -2.326 1.00 0.00 C ATOM 0 H PHE A 76 0.346 32.857 0.399 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.982 32.713 -1.399 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.230 31.158 1.115 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.621 30.834 0.099 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.207 30.111 -2.333 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.894 30.172 0.606 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.872 28.577 -3.706 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.227 28.644 -0.779 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.342 27.835 -2.930 1.00 0.00 H new ATOM 1281 N GLY A 77 -2.166 33.560 1.833 1.00 0.00 N ATOM 1282 CA GLY A 77 -2.884 34.359 2.828 1.00 0.00 C ATOM 1283 C GLY A 77 -4.256 33.802 3.152 1.00 0.00 C ATOM 1284 O GLY A 77 -4.418 33.026 4.102 1.00 0.00 O ATOM 0 H GLY A 77 -1.385 33.030 2.218 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.292 34.409 3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.989 35.380 2.460 1.00 0.00 H new ATOM 1288 N ASP A 78 -5.236 34.190 2.321 1.00 0.00 N ATOM 1289 CA ASP A 78 -6.635 33.761 2.447 1.00 0.00 C ATOM 1290 C ASP A 78 -6.751 32.233 2.287 1.00 0.00 C ATOM 1291 O ASP A 78 -7.558 31.592 2.962 1.00 0.00 O ATOM 1292 CB ASP A 78 -7.496 34.475 1.375 1.00 0.00 C ATOM 1293 CG ASP A 78 -9.005 34.158 1.484 1.00 0.00 C ATOM 1294 OD1 ASP A 78 -9.472 33.155 0.889 1.00 0.00 O ATOM 1295 OD2 ASP A 78 -9.735 34.914 2.161 1.00 0.00 O ATOM 0 H ASP A 78 -5.076 34.818 1.534 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.997 34.030 3.439 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.352 35.552 1.463 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.143 34.186 0.385 1.00 0.00 H new ATOM 1300 N ARG A 79 -5.932 31.674 1.379 1.00 0.00 N ATOM 1301 CA ARG A 79 -5.914 30.231 1.094 1.00 0.00 C ATOM 1302 C ARG A 79 -5.431 29.406 2.299 1.00 0.00 C ATOM 1303 O ARG A 79 -5.910 28.312 2.492 1.00 0.00 O ATOM 1304 CB ARG A 79 -5.021 29.920 -0.130 1.00 0.00 C ATOM 1305 CG ARG A 79 -5.527 30.448 -1.479 1.00 0.00 C ATOM 1306 CD ARG A 79 -6.857 29.793 -1.913 1.00 0.00 C ATOM 1307 NE ARG A 79 -7.167 30.073 -3.331 1.00 0.00 N ATOM 1308 CZ ARG A 79 -7.166 29.161 -4.327 1.00 0.00 C ATOM 1309 NH1 ARG A 79 -6.950 27.873 -4.076 1.00 0.00 N ATOM 1310 NH2 ARG A 79 -7.383 29.546 -5.574 1.00 0.00 N ATOM 0 H ARG A 79 -5.265 32.210 0.824 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.943 29.946 0.876 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.030 30.336 0.052 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.904 28.839 -0.205 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.662 31.528 -1.415 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.771 30.266 -2.243 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.799 28.715 -1.759 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.667 30.162 -1.284 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.401 31.035 -3.578 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.782 27.561 -3.120 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.953 27.197 -4.840 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.551 30.530 -5.782 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.383 28.858 -6.327 1.00 0.00 H new ATOM 1324 N VAL A 80 -4.478 29.933 3.090 1.00 0.00 N ATOM 1325 CA VAL A 80 -3.886 29.178 4.225 1.00 0.00 C ATOM 1326 C VAL A 80 -4.943 28.961 5.339 1.00 0.00 C ATOM 1327 O VAL A 80 -5.765 29.847 5.578 1.00 0.00 O ATOM 1328 CB VAL A 80 -2.618 29.899 4.809 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -1.899 29.018 5.856 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -1.645 30.331 3.685 1.00 0.00 C ATOM 0 H VAL A 80 -4.099 30.872 2.970 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.566 28.209 3.843 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.963 30.801 5.315 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.027 29.547 6.239 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.581 28.800 6.678 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.582 28.085 5.390 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.779 30.827 4.124 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.317 29.452 3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.153 31.019 3.009 1.00 0.00 H new ATOM 1340 N PHE A 81 -4.906 27.784 6.021 1.00 0.00 N ATOM 1341 CA PHE A 81 -5.944 27.385 7.013 1.00 0.00 C ATOM 1342 C PHE A 81 -6.030 28.319 8.237 1.00 0.00 C ATOM 1343 O PHE A 81 -7.004 28.276 8.988 1.00 0.00 O ATOM 1344 CB PHE A 81 -5.779 25.897 7.447 1.00 0.00 C ATOM 1345 CG PHE A 81 -4.551 25.526 8.295 1.00 0.00 C ATOM 1346 CD1 PHE A 81 -4.590 25.588 9.688 1.00 0.00 C ATOM 1347 CD2 PHE A 81 -3.381 25.059 7.705 1.00 0.00 C ATOM 1348 CE1 PHE A 81 -3.506 25.210 10.459 1.00 0.00 C ATOM 1349 CE2 PHE A 81 -2.299 24.672 8.480 1.00 0.00 C ATOM 1350 CZ PHE A 81 -2.361 24.750 9.853 1.00 0.00 C ATOM 0 H PHE A 81 -4.166 27.092 5.901 1.00 0.00 H new ATOM 0 HA PHE A 81 -6.897 27.489 6.494 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.670 25.611 8.006 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -5.759 25.286 6.545 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.487 25.939 10.176 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.315 24.997 6.629 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.559 25.276 11.536 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -1.401 24.307 8.004 1.00 0.00 H new ATOM 0 HZ PHE A 81 -1.513 24.451 10.452 1.00 0.00 H new ATOM 1360 N LEU A 82 -5.013 29.157 8.417 1.00 0.00 N ATOM 1361 CA LEU A 82 -4.962 30.163 9.489 1.00 0.00 C ATOM 1362 C LEU A 82 -4.365 31.470 8.932 1.00 0.00 C ATOM 1363 O LEU A 82 -3.887 31.499 7.792 1.00 0.00 O ATOM 1364 CB LEU A 82 -4.143 29.621 10.710 1.00 0.00 C ATOM 1365 CG LEU A 82 -2.578 29.497 10.577 1.00 0.00 C ATOM 1366 CD1 LEU A 82 -1.929 29.105 11.924 1.00 0.00 C ATOM 1367 CD2 LEU A 82 -2.158 28.507 9.476 1.00 0.00 C ATOM 0 H LEU A 82 -4.187 29.162 7.818 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.970 30.372 9.847 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.352 30.269 11.562 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.533 28.634 10.957 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.216 30.483 10.287 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.849 29.028 11.799 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.154 29.866 12.671 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.326 28.145 12.253 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.070 28.459 9.426 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.555 27.518 9.705 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.551 28.842 8.516 1.00 0.00 H new ATOM 1379 N THR A 83 -4.427 32.562 9.718 1.00 0.00 N ATOM 1380 CA THR A 83 -3.757 33.836 9.363 1.00 0.00 C ATOM 1381 C THR A 83 -2.436 33.948 10.145 1.00 0.00 C ATOM 1382 O THR A 83 -2.161 33.128 11.033 1.00 0.00 O ATOM 1383 CB THR A 83 -4.678 35.093 9.605 1.00 0.00 C ATOM 1384 OG1 THR A 83 -3.999 36.309 9.231 1.00 0.00 O ATOM 1385 CG2 THR A 83 -5.146 35.214 11.056 1.00 0.00 C ATOM 0 H THR A 83 -4.933 32.591 10.603 1.00 0.00 H new ATOM 0 HA THR A 83 -3.546 33.823 8.294 1.00 0.00 H new ATOM 0 HB THR A 83 -5.556 34.946 8.976 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.881 36.875 10.023 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.776 36.097 11.163 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.716 34.326 11.330 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.280 35.305 11.711 1.00 0.00 H new ATOM 1393 N LYS A 84 -1.610 34.950 9.795 1.00 0.00 N ATOM 1394 CA LYS A 84 -0.289 35.167 10.421 1.00 0.00 C ATOM 1395 C LYS A 84 -0.429 35.473 11.930 1.00 0.00 C ATOM 1396 O LYS A 84 0.482 35.201 12.717 1.00 0.00 O ATOM 1397 CB LYS A 84 0.453 36.325 9.713 1.00 0.00 C ATOM 1398 CG LYS A 84 1.925 36.517 10.158 1.00 0.00 C ATOM 1399 CD LYS A 84 2.557 37.824 9.627 1.00 0.00 C ATOM 1400 CE LYS A 84 2.553 37.936 8.092 1.00 0.00 C ATOM 1401 NZ LYS A 84 3.022 39.274 7.645 1.00 0.00 N ATOM 0 H LYS A 84 -1.837 35.632 9.072 1.00 0.00 H new ATOM 0 HA LYS A 84 0.290 34.250 10.312 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.433 36.148 8.638 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.091 37.252 9.894 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.972 36.515 11.247 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.516 35.669 9.812 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.018 38.674 10.046 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.585 37.891 9.984 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.194 37.163 7.668 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.546 37.757 7.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.008 39.318 6.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.395 40.008 8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.992 39.433 7.985 1.00 0.00 H new ATOM 1415 N ASP A 85 -1.584 36.053 12.303 1.00 0.00 N ATOM 1416 CA ASP A 85 -1.942 36.321 13.711 1.00 0.00 C ATOM 1417 C ASP A 85 -2.093 34.998 14.474 1.00 0.00 C ATOM 1418 O ASP A 85 -1.513 34.821 15.547 1.00 0.00 O ATOM 1419 CB ASP A 85 -3.258 37.121 13.821 1.00 0.00 C ATOM 1420 CG ASP A 85 -3.276 38.399 12.975 1.00 0.00 C ATOM 1421 OD1 ASP A 85 -3.580 38.311 11.759 1.00 0.00 O ATOM 1422 OD2 ASP A 85 -2.978 39.494 13.510 1.00 0.00 O ATOM 0 H ASP A 85 -2.297 36.350 11.637 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.139 36.916 14.147 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.087 36.483 13.516 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.426 37.385 14.865 1.00 0.00 H new ATOM 1427 N GLU A 86 -2.870 34.064 13.886 1.00 0.00 N ATOM 1428 CA GLU A 86 -3.050 32.709 14.447 1.00 0.00 C ATOM 1429 C GLU A 86 -1.684 32.014 14.616 1.00 0.00 C ATOM 1430 O GLU A 86 -1.441 31.389 15.636 1.00 0.00 O ATOM 1431 CB GLU A 86 -3.978 31.841 13.560 1.00 0.00 C ATOM 1432 CG GLU A 86 -5.376 32.427 13.308 1.00 0.00 C ATOM 1433 CD GLU A 86 -6.223 32.573 14.579 1.00 0.00 C ATOM 1434 OE1 GLU A 86 -6.841 31.579 15.005 1.00 0.00 O ATOM 1435 OE2 GLU A 86 -6.274 33.677 15.162 1.00 0.00 O ATOM 0 H GLU A 86 -3.384 34.225 13.020 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.524 32.818 15.423 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.490 31.681 12.599 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.090 30.863 14.027 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.271 33.405 12.838 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.906 31.789 12.601 1.00 0.00 H new ATOM 1442 N LEU A 87 -0.796 32.199 13.608 1.00 0.00 N ATOM 1443 CA LEU A 87 0.583 31.652 13.609 1.00 0.00 C ATOM 1444 C LEU A 87 1.401 32.145 14.823 1.00 0.00 C ATOM 1445 O LEU A 87 1.930 31.325 15.581 1.00 0.00 O ATOM 1446 CB LEU A 87 1.330 32.049 12.299 1.00 0.00 C ATOM 1447 CG LEU A 87 2.869 31.735 12.258 1.00 0.00 C ATOM 1448 CD1 LEU A 87 3.146 30.217 12.169 1.00 0.00 C ATOM 1449 CD2 LEU A 87 3.591 32.533 11.144 1.00 0.00 C ATOM 0 H LEU A 87 -1.018 32.734 12.768 1.00 0.00 H new ATOM 0 HA LEU A 87 0.492 30.568 13.672 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.853 31.537 11.463 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.194 33.118 12.137 1.00 0.00 H new ATOM 0 HG LEU A 87 3.291 32.072 13.205 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.222 30.044 12.143 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.719 29.718 13.039 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.692 29.817 11.262 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.653 32.287 11.150 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.164 32.274 10.175 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.465 33.601 11.322 1.00 0.00 H new ATOM 1461 N LYS A 88 1.512 33.490 14.989 1.00 0.00 N ATOM 1462 CA LYS A 88 2.417 34.088 15.997 1.00 0.00 C ATOM 1463 C LYS A 88 2.031 33.669 17.433 1.00 0.00 C ATOM 1464 O LYS A 88 2.903 33.329 18.235 1.00 0.00 O ATOM 1465 CB LYS A 88 2.587 35.645 15.814 1.00 0.00 C ATOM 1466 CG LYS A 88 1.316 36.501 15.635 1.00 0.00 C ATOM 1467 CD LYS A 88 0.474 36.664 16.919 1.00 0.00 C ATOM 1468 CE LYS A 88 -0.491 37.836 16.847 1.00 0.00 C ATOM 1469 NZ LYS A 88 -1.444 37.832 17.990 1.00 0.00 N ATOM 0 H LYS A 88 0.989 34.173 14.441 1.00 0.00 H new ATOM 0 HA LYS A 88 3.411 33.676 15.822 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.125 36.025 16.682 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.225 35.811 14.946 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.605 37.489 15.276 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.694 36.050 14.862 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.088 35.747 17.098 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.141 36.800 17.770 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.070 38.770 16.844 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.046 37.794 15.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.984 38.721 17.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.098 37.029 17.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.916 37.743 18.882 1.00 0.00 H new ATOM 1483 N GLU A 89 0.712 33.619 17.714 1.00 0.00 N ATOM 1484 CA GLU A 89 0.180 33.245 19.050 1.00 0.00 C ATOM 1485 C GLU A 89 0.091 31.713 19.222 1.00 0.00 C ATOM 1486 O GLU A 89 -0.002 31.219 20.348 1.00 0.00 O ATOM 1487 CB GLU A 89 -1.188 33.923 19.295 1.00 0.00 C ATOM 1488 CG GLU A 89 -2.298 33.538 18.300 1.00 0.00 C ATOM 1489 CD GLU A 89 -3.527 34.449 18.424 1.00 0.00 C ATOM 1490 OE1 GLU A 89 -3.502 35.567 17.853 1.00 0.00 O ATOM 1491 OE2 GLU A 89 -4.499 34.080 19.126 1.00 0.00 O ATOM 0 H GLU A 89 -0.013 33.834 17.030 1.00 0.00 H new ATOM 0 HA GLU A 89 0.880 33.607 19.804 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.523 33.675 20.302 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.051 35.004 19.262 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.908 33.593 17.284 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.595 32.504 18.472 1.00 0.00 H new ATOM 1498 N TYR A 90 0.107 30.978 18.091 1.00 0.00 N ATOM 1499 CA TYR A 90 0.236 29.502 18.080 1.00 0.00 C ATOM 1500 C TYR A 90 1.657 29.103 18.519 1.00 0.00 C ATOM 1501 O TYR A 90 1.830 28.143 19.266 1.00 0.00 O ATOM 1502 CB TYR A 90 -0.089 28.944 16.664 1.00 0.00 C ATOM 1503 CG TYR A 90 0.138 27.435 16.459 1.00 0.00 C ATOM 1504 CD1 TYR A 90 -0.740 26.484 16.994 1.00 0.00 C ATOM 1505 CD2 TYR A 90 1.231 26.965 15.720 1.00 0.00 C ATOM 1506 CE1 TYR A 90 -0.531 25.127 16.803 1.00 0.00 C ATOM 1507 CE2 TYR A 90 1.444 25.612 15.527 1.00 0.00 C ATOM 1508 CZ TYR A 90 0.559 24.696 16.069 1.00 0.00 C ATOM 1509 OH TYR A 90 0.765 23.342 15.881 1.00 0.00 O ATOM 0 H TYR A 90 0.031 31.388 17.160 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.477 29.071 18.783 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.132 29.167 16.439 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.517 29.484 15.936 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -1.595 26.814 17.565 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.923 27.675 15.291 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.217 24.408 17.226 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.296 25.272 14.957 1.00 0.00 H new ATOM 0 HH TYR A 90 1.573 23.206 15.343 1.00 0.00 H new ATOM 1519 N MET A 91 2.663 29.872 18.055 1.00 0.00 N ATOM 1520 CA MET A 91 4.080 29.656 18.412 1.00 0.00 C ATOM 1521 C MET A 91 4.344 30.105 19.868 1.00 0.00 C ATOM 1522 O MET A 91 5.203 29.532 20.553 1.00 0.00 O ATOM 1523 CB MET A 91 5.007 30.394 17.407 1.00 0.00 C ATOM 1524 CG MET A 91 4.922 29.870 15.956 1.00 0.00 C ATOM 1525 SD MET A 91 6.130 30.635 14.843 1.00 0.00 S ATOM 1526 CE MET A 91 5.680 32.370 14.922 1.00 0.00 C ATOM 0 H MET A 91 2.516 30.659 17.423 1.00 0.00 H new ATOM 0 HA MET A 91 4.304 28.591 18.350 1.00 0.00 H new ATOM 0 HB2 MET A 91 4.757 31.455 17.412 1.00 0.00 H new ATOM 0 HB3 MET A 91 6.038 30.308 17.752 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.073 28.791 15.958 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.919 30.050 15.571 1.00 0.00 H new ATOM 0 HE1 MET A 91 6.209 32.919 14.143 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.605 32.474 14.773 1.00 0.00 H new ATOM 0 HE3 MET A 91 5.951 32.772 15.898 1.00 0.00 H new ATOM 1536 N LYS A 92 3.583 31.130 20.335 1.00 0.00 N ATOM 1537 CA LYS A 92 3.572 31.532 21.763 1.00 0.00 C ATOM 1538 C LYS A 92 2.940 30.423 22.616 1.00 0.00 C ATOM 1539 O LYS A 92 3.396 30.157 23.732 1.00 0.00 O ATOM 1540 CB LYS A 92 2.807 32.864 22.009 1.00 0.00 C ATOM 1541 CG LYS A 92 3.362 34.125 21.296 1.00 0.00 C ATOM 1542 CD LYS A 92 4.844 34.470 21.637 1.00 0.00 C ATOM 1543 CE LYS A 92 5.853 33.964 20.588 1.00 0.00 C ATOM 1544 NZ LYS A 92 7.253 34.297 20.971 1.00 0.00 N ATOM 0 H LYS A 92 2.971 31.691 19.742 1.00 0.00 H new ATOM 0 HA LYS A 92 4.611 31.691 22.052 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.772 32.725 21.698 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.795 33.057 23.082 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.275 33.984 20.219 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.736 34.978 21.557 1.00 0.00 H new ATOM 0 HD2 LYS A 92 4.944 35.551 21.733 1.00 0.00 H new ATOM 0 HD3 LYS A 92 5.094 34.040 22.607 1.00 0.00 H new ATOM 0 HE2 LYS A 92 5.752 32.884 20.476 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.625 34.407 19.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.906 33.942 20.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.354 35.329 21.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.478 33.853 21.884 1.00 0.00 H new ATOM 1558 N SER A 93 1.891 29.786 22.064 1.00 0.00 N ATOM 1559 CA SER A 93 1.188 28.667 22.715 1.00 0.00 C ATOM 1560 C SER A 93 2.118 27.444 22.841 1.00 0.00 C ATOM 1561 O SER A 93 2.022 26.682 23.808 1.00 0.00 O ATOM 1562 CB SER A 93 -0.096 28.308 21.923 1.00 0.00 C ATOM 1563 OG SER A 93 -0.861 27.301 22.569 1.00 0.00 O ATOM 0 H SER A 93 1.507 30.034 21.152 1.00 0.00 H new ATOM 0 HA SER A 93 0.897 28.973 23.720 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.707 29.202 21.799 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.178 27.969 20.924 1.00 0.00 H new ATOM 0 HG SER A 93 -1.661 27.107 22.037 1.00 0.00 H new ATOM 1798 N LYS A 106 15.808 28.849 11.965 1.00 0.00 N ATOM 1799 CA LYS A 106 14.478 28.617 11.360 1.00 0.00 C ATOM 1800 C LYS A 106 14.474 27.313 10.540 1.00 0.00 C ATOM 1801 O LYS A 106 15.491 26.926 9.946 1.00 0.00 O ATOM 1802 CB LYS A 106 14.013 29.830 10.486 1.00 0.00 C ATOM 1803 CG LYS A 106 14.691 29.986 9.098 1.00 0.00 C ATOM 1804 CD LYS A 106 16.214 30.262 9.157 1.00 0.00 C ATOM 1805 CE LYS A 106 16.682 31.273 8.102 1.00 0.00 C ATOM 1806 NZ LYS A 106 16.556 30.763 6.710 1.00 0.00 N ATOM 0 HA LYS A 106 13.761 28.515 12.175 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.937 29.747 10.332 1.00 0.00 H new ATOM 0 HB3 LYS A 106 14.184 30.745 11.054 1.00 0.00 H new ATOM 0 HG2 LYS A 106 14.521 29.078 8.520 1.00 0.00 H new ATOM 0 HG3 LYS A 106 14.207 30.801 8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 106 16.472 30.634 10.148 1.00 0.00 H new ATOM 0 HD3 LYS A 106 16.753 29.325 9.018 1.00 0.00 H new ATOM 0 HE2 LYS A 106 16.100 32.189 8.201 1.00 0.00 H new ATOM 0 HE3 LYS A 106 17.723 31.535 8.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 16.806 31.518 6.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 17.197 29.955 6.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 15.576 30.459 6.539 1.00 0.00 H new ATOM 1820 N LYS A 107 13.328 26.645 10.535 1.00 0.00 N ATOM 1821 CA LYS A 107 13.168 25.319 9.914 1.00 0.00 C ATOM 1822 C LYS A 107 12.482 25.496 8.562 1.00 0.00 C ATOM 1823 O LYS A 107 11.820 26.499 8.344 1.00 0.00 O ATOM 1824 CB LYS A 107 12.350 24.371 10.848 1.00 0.00 C ATOM 1825 CG LYS A 107 12.478 22.874 10.487 1.00 0.00 C ATOM 1826 CD LYS A 107 13.953 22.414 10.520 1.00 0.00 C ATOM 1827 CE LYS A 107 14.160 20.991 9.989 1.00 0.00 C ATOM 1828 NZ LYS A 107 13.538 19.956 10.867 1.00 0.00 N ATOM 0 H LYS A 107 12.473 27.002 10.962 1.00 0.00 H new ATOM 0 HA LYS A 107 14.144 24.857 9.763 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.681 24.516 11.876 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.299 24.656 10.808 1.00 0.00 H new ATOM 0 HG2 LYS A 107 11.893 22.277 11.187 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.062 22.700 9.494 1.00 0.00 H new ATOM 0 HD2 LYS A 107 14.554 23.105 9.929 1.00 0.00 H new ATOM 0 HD3 LYS A 107 14.320 22.468 11.545 1.00 0.00 H new ATOM 0 HE2 LYS A 107 13.736 20.915 8.988 1.00 0.00 H new ATOM 0 HE3 LYS A 107 15.228 20.792 9.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 13.706 19.012 10.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.959 20.007 11.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 12.514 20.127 10.933 1.00 0.00 H new ATOM 1842 N LEU A 108 12.666 24.532 7.647 1.00 0.00 N ATOM 1843 CA LEU A 108 12.023 24.563 6.324 1.00 0.00 C ATOM 1844 C LEU A 108 10.521 24.259 6.496 1.00 0.00 C ATOM 1845 O LEU A 108 10.141 23.126 6.760 1.00 0.00 O ATOM 1846 CB LEU A 108 12.735 23.549 5.361 1.00 0.00 C ATOM 1847 CG LEU A 108 12.465 23.667 3.814 1.00 0.00 C ATOM 1848 CD1 LEU A 108 11.055 23.213 3.410 1.00 0.00 C ATOM 1849 CD2 LEU A 108 12.751 25.090 3.300 1.00 0.00 C ATOM 0 H LEU A 108 13.259 23.716 7.801 1.00 0.00 H new ATOM 0 HA LEU A 108 12.118 25.550 5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 108 13.810 23.641 5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.453 22.543 5.671 1.00 0.00 H new ATOM 0 HG LEU A 108 13.162 22.979 3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 108 10.933 23.319 2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 108 10.915 22.169 3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 108 10.314 23.828 3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 108 12.554 25.136 2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 108 12.107 25.800 3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 108 13.795 25.342 3.489 1.00 0.00 H new ATOM 1861 N TRP A 109 9.685 25.295 6.388 1.00 0.00 N ATOM 1862 CA TRP A 109 8.220 25.151 6.337 1.00 0.00 C ATOM 1863 C TRP A 109 7.784 24.897 4.878 1.00 0.00 C ATOM 1864 O TRP A 109 8.537 25.155 3.935 1.00 0.00 O ATOM 1865 CB TRP A 109 7.507 26.412 6.897 1.00 0.00 C ATOM 1866 CG TRP A 109 7.713 26.691 8.365 1.00 0.00 C ATOM 1867 CD1 TRP A 109 8.892 26.969 8.983 1.00 0.00 C ATOM 1868 CD2 TRP A 109 6.703 26.773 9.384 1.00 0.00 C ATOM 1869 NE1 TRP A 109 8.696 27.180 10.316 1.00 0.00 N ATOM 1870 CE2 TRP A 109 7.357 27.076 10.590 1.00 0.00 C ATOM 1871 CE3 TRP A 109 5.310 26.609 9.390 1.00 0.00 C ATOM 1872 CZ2 TRP A 109 6.674 27.224 11.797 1.00 0.00 C ATOM 1873 CZ3 TRP A 109 4.628 26.763 10.591 1.00 0.00 C ATOM 1874 CH2 TRP A 109 5.312 27.064 11.778 1.00 0.00 C ATOM 0 H TRP A 109 10.002 26.263 6.333 1.00 0.00 H new ATOM 0 HA TRP A 109 7.933 24.305 6.961 1.00 0.00 H new ATOM 0 HB2 TRP A 109 7.848 27.279 6.331 1.00 0.00 H new ATOM 0 HB3 TRP A 109 6.437 26.312 6.713 1.00 0.00 H new ATOM 0 HD1 TRP A 109 9.850 27.016 8.487 1.00 0.00 H new ATOM 0 HE1 TRP A 109 9.427 27.382 10.998 1.00 0.00 H new ATOM 0 HE3 TRP A 109 4.779 26.368 8.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 7.198 27.456 12.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 3.554 26.649 10.611 1.00 0.00 H new ATOM 0 HH2 TRP A 109 4.754 27.172 12.697 1.00 0.00 H new ATOM 1885 N MET A 110 6.573 24.378 4.707 1.00 0.00 N ATOM 1886 CA MET A 110 5.997 24.054 3.390 1.00 0.00 C ATOM 1887 C MET A 110 4.505 24.397 3.376 1.00 0.00 C ATOM 1888 O MET A 110 3.868 24.432 4.426 1.00 0.00 O ATOM 1889 CB MET A 110 6.250 22.558 3.038 1.00 0.00 C ATOM 1890 CG MET A 110 5.957 21.571 4.170 1.00 0.00 C ATOM 1891 SD MET A 110 6.242 19.844 3.718 1.00 0.00 S ATOM 1892 CE MET A 110 4.855 19.499 2.634 1.00 0.00 C ATOM 0 H MET A 110 5.949 24.164 5.485 1.00 0.00 H new ATOM 0 HA MET A 110 6.487 24.655 2.624 1.00 0.00 H new ATOM 0 HB2 MET A 110 5.636 22.294 2.177 1.00 0.00 H new ATOM 0 HB3 MET A 110 7.291 22.442 2.735 1.00 0.00 H new ATOM 0 HG2 MET A 110 6.580 21.821 5.029 1.00 0.00 H new ATOM 0 HG3 MET A 110 4.920 21.689 4.484 1.00 0.00 H new ATOM 0 HE1 MET A 110 4.176 18.801 3.123 1.00 0.00 H new ATOM 0 HE2 MET A 110 4.326 20.426 2.414 1.00 0.00 H new ATOM 0 HE3 MET A 110 5.219 19.060 1.705 1.00 0.00 H new ATOM 1902 N ALA A 111 3.966 24.669 2.181 1.00 0.00 N ATOM 1903 CA ALA A 111 2.563 25.072 1.990 1.00 0.00 C ATOM 1904 C ALA A 111 1.927 24.227 0.890 1.00 0.00 C ATOM 1905 O ALA A 111 2.189 24.443 -0.297 1.00 0.00 O ATOM 1906 CB ALA A 111 2.482 26.561 1.635 1.00 0.00 C ATOM 0 H ALA A 111 4.495 24.616 1.310 1.00 0.00 H new ATOM 0 HA ALA A 111 2.017 24.909 2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.439 26.846 1.496 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.915 27.152 2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.034 26.746 0.714 1.00 0.00 H new ATOM 1912 N ILE A 112 1.095 23.271 1.299 1.00 0.00 N ATOM 1913 CA ILE A 112 0.431 22.336 0.388 1.00 0.00 C ATOM 1914 C ILE A 112 -0.846 22.984 -0.169 1.00 0.00 C ATOM 1915 O ILE A 112 -1.736 23.325 0.612 1.00 0.00 O ATOM 1916 CB ILE A 112 0.062 21.007 1.149 1.00 0.00 C ATOM 1917 CG1 ILE A 112 1.295 20.428 1.917 1.00 0.00 C ATOM 1918 CG2 ILE A 112 -0.529 19.965 0.179 1.00 0.00 C ATOM 1919 CD1 ILE A 112 0.973 19.272 2.865 1.00 0.00 C ATOM 0 H ILE A 112 0.860 23.121 2.280 1.00 0.00 H new ATOM 0 HA ILE A 112 1.107 22.097 -0.433 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.700 21.249 1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 112 2.032 20.089 1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 112 1.759 21.231 2.490 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -0.776 19.056 0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.431 20.367 -0.282 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.202 19.734 -0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 112 1.888 18.936 3.353 1.00 0.00 H new ATOM 0 HD12 ILE A 112 0.262 19.608 3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.539 18.447 2.299 1.00 0.00 H new ATOM 1931 N GLU A 113 -0.939 23.163 -1.505 1.00 0.00 N ATOM 1932 CA GLU A 113 -2.139 23.762 -2.126 1.00 0.00 C ATOM 1933 C GLU A 113 -3.225 22.688 -2.294 1.00 0.00 C ATOM 1934 O GLU A 113 -3.168 21.873 -3.205 1.00 0.00 O ATOM 1935 CB GLU A 113 -1.815 24.461 -3.487 1.00 0.00 C ATOM 1936 CG GLU A 113 -3.066 24.959 -4.260 1.00 0.00 C ATOM 1937 CD GLU A 113 -2.755 25.801 -5.509 1.00 0.00 C ATOM 1938 OE1 GLU A 113 -1.951 25.364 -6.344 1.00 0.00 O ATOM 1939 OE2 GLU A 113 -3.338 26.893 -5.681 1.00 0.00 O ATOM 0 H GLU A 113 -0.207 22.905 -2.166 1.00 0.00 H new ATOM 0 HA GLU A 113 -2.510 24.543 -1.462 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.156 25.309 -3.299 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -1.265 23.764 -4.119 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -3.659 24.095 -4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -3.683 25.551 -3.584 1.00 0.00 H new ATOM 1946 N LEU A 114 -4.180 22.660 -1.363 1.00 0.00 N ATOM 1947 CA LEU A 114 -5.348 21.768 -1.441 1.00 0.00 C ATOM 1948 C LEU A 114 -6.412 22.366 -2.372 1.00 0.00 C ATOM 1949 O LEU A 114 -6.721 23.551 -2.288 1.00 0.00 O ATOM 1950 CB LEU A 114 -5.937 21.497 -0.015 1.00 0.00 C ATOM 1951 CG LEU A 114 -5.197 20.419 0.830 1.00 0.00 C ATOM 1952 CD1 LEU A 114 -5.090 19.122 0.035 1.00 0.00 C ATOM 1953 CD2 LEU A 114 -3.816 20.883 1.306 1.00 0.00 C ATOM 0 H LEU A 114 -4.170 23.253 -0.533 1.00 0.00 H new ATOM 0 HA LEU A 114 -5.028 20.812 -1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -5.934 22.434 0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -6.978 21.194 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.789 20.246 1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.571 18.371 0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.089 18.763 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -4.533 19.304 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.347 20.091 1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.192 21.115 0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.925 21.774 1.925 1.00 0.00 H new ATOM 1965 N GLU A 115 -6.923 21.535 -3.291 1.00 0.00 N ATOM 1966 CA GLU A 115 -8.020 21.898 -4.197 1.00 0.00 C ATOM 1967 C GLU A 115 -8.975 20.702 -4.336 1.00 0.00 C ATOM 1968 O GLU A 115 -8.634 19.587 -3.912 1.00 0.00 O ATOM 1969 CB GLU A 115 -7.428 22.366 -5.558 1.00 0.00 C ATOM 1970 CG GLU A 115 -6.632 21.298 -6.353 1.00 0.00 C ATOM 1971 CD GLU A 115 -7.456 20.465 -7.353 1.00 0.00 C ATOM 1972 OE1 GLU A 115 -8.147 21.065 -8.203 1.00 0.00 O ATOM 1973 OE2 GLU A 115 -7.403 19.218 -7.316 1.00 0.00 O ATOM 0 H GLU A 115 -6.583 20.583 -3.427 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.601 22.730 -3.798 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.246 22.723 -6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -6.773 23.217 -5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -5.830 21.798 -6.897 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -6.160 20.619 -5.643 1.00 0.00 H new ATOM 1980 N ASP A 116 -10.176 20.957 -4.898 1.00 0.00 N ATOM 1981 CA ASP A 116 -11.209 19.919 -5.149 1.00 0.00 C ATOM 1982 C ASP A 116 -11.591 19.179 -3.838 1.00 0.00 C ATOM 1983 O ASP A 116 -11.771 17.958 -3.810 1.00 0.00 O ATOM 1984 CB ASP A 116 -10.718 18.942 -6.270 1.00 0.00 C ATOM 1985 CG ASP A 116 -11.773 17.908 -6.712 1.00 0.00 C ATOM 1986 OD1 ASP A 116 -12.775 18.297 -7.339 1.00 0.00 O ATOM 1987 OD2 ASP A 116 -11.621 16.701 -6.406 1.00 0.00 O ATOM 0 H ASP A 116 -10.461 21.891 -5.193 1.00 0.00 H new ATOM 0 HA ASP A 116 -12.121 20.399 -5.504 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -10.412 19.526 -7.138 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -9.834 18.413 -5.914 1.00 0.00 H new ATOM 1992 N VAL A 117 -11.726 19.948 -2.750 1.00 0.00 N ATOM 1993 CA VAL A 117 -11.942 19.377 -1.416 1.00 0.00 C ATOM 1994 C VAL A 117 -13.325 18.692 -1.320 1.00 0.00 C ATOM 1995 O VAL A 117 -14.371 19.351 -1.326 1.00 0.00 O ATOM 1996 CB VAL A 117 -11.773 20.436 -0.277 1.00 0.00 C ATOM 1997 CG1 VAL A 117 -11.936 19.758 1.100 1.00 0.00 C ATOM 1998 CG2 VAL A 117 -10.406 21.171 -0.383 1.00 0.00 C ATOM 0 H VAL A 117 -11.689 20.967 -2.768 1.00 0.00 H new ATOM 0 HA VAL A 117 -11.168 18.623 -1.272 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.552 21.190 -0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.817 20.502 1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -12.927 19.310 1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -11.179 18.982 1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -10.321 21.900 0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -9.596 20.446 -0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -10.342 21.683 -1.343 1.00 0.00 H new ATOM 2008 N LYS A 118 -13.286 17.354 -1.259 1.00 0.00 N ATOM 2009 CA LYS A 118 -14.471 16.489 -1.192 1.00 0.00 C ATOM 2010 C LYS A 118 -14.949 16.350 0.272 1.00 0.00 C ATOM 2011 O LYS A 118 -14.164 16.529 1.214 1.00 0.00 O ATOM 2012 CB LYS A 118 -14.111 15.099 -1.796 1.00 0.00 C ATOM 2013 CG LYS A 118 -15.280 14.343 -2.452 1.00 0.00 C ATOM 2014 CD LYS A 118 -15.857 15.047 -3.711 1.00 0.00 C ATOM 2015 CE LYS A 118 -14.797 15.413 -4.786 1.00 0.00 C ATOM 2016 NZ LYS A 118 -14.199 16.767 -4.598 1.00 0.00 N ATOM 0 H LYS A 118 -12.410 16.832 -1.255 1.00 0.00 H new ATOM 0 HA LYS A 118 -15.286 16.929 -1.766 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -13.326 15.237 -2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -13.695 14.475 -1.005 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -14.944 13.344 -2.728 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -16.077 14.220 -1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -16.606 14.398 -4.164 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -16.370 15.957 -3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -14.002 14.668 -4.768 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -15.259 15.363 -5.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -14.240 17.292 -5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -14.732 17.284 -3.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -13.208 16.670 -4.298 1.00 0.00 H new ATOM 2030 N LYS A 119 -16.230 16.008 0.447 1.00 0.00 N ATOM 2031 CA LYS A 119 -16.870 15.863 1.769 1.00 0.00 C ATOM 2032 C LYS A 119 -17.461 14.448 1.918 1.00 0.00 C ATOM 2033 O LYS A 119 -18.356 14.064 1.161 1.00 0.00 O ATOM 2034 CB LYS A 119 -17.988 16.959 1.959 1.00 0.00 C ATOM 2035 CG LYS A 119 -17.637 18.103 2.946 1.00 0.00 C ATOM 2036 CD LYS A 119 -17.377 17.601 4.396 1.00 0.00 C ATOM 2037 CE LYS A 119 -18.514 16.732 4.968 1.00 0.00 C ATOM 2038 NZ LYS A 119 -18.271 16.354 6.382 1.00 0.00 N ATOM 0 H LYS A 119 -16.863 15.821 -0.331 1.00 0.00 H new ATOM 0 HA LYS A 119 -16.117 16.006 2.544 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -18.213 17.397 0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -18.898 16.469 2.306 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -16.752 18.627 2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -18.452 18.826 2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -16.451 17.026 4.411 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -17.228 18.462 5.047 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -19.456 17.275 4.895 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -18.619 15.830 4.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -19.084 15.813 6.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -17.412 15.770 6.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -18.146 17.213 6.955 1.00 0.00 H new ATOM 2052 N TYR A 120 -16.951 13.684 2.897 1.00 0.00 N ATOM 2053 CA TYR A 120 -17.552 12.401 3.300 1.00 0.00 C ATOM 2054 C TYR A 120 -18.780 12.690 4.184 1.00 0.00 C ATOM 2055 O TYR A 120 -18.641 13.005 5.371 1.00 0.00 O ATOM 2056 CB TYR A 120 -16.540 11.508 4.075 1.00 0.00 C ATOM 2057 CG TYR A 120 -15.276 11.085 3.309 1.00 0.00 C ATOM 2058 CD1 TYR A 120 -15.259 10.923 1.919 1.00 0.00 C ATOM 2059 CD2 TYR A 120 -14.097 10.816 3.996 1.00 0.00 C ATOM 2060 CE1 TYR A 120 -14.109 10.514 1.259 1.00 0.00 C ATOM 2061 CE2 TYR A 120 -12.950 10.412 3.345 1.00 0.00 C ATOM 2062 CZ TYR A 120 -12.957 10.262 1.978 1.00 0.00 C ATOM 2063 OH TYR A 120 -11.813 9.853 1.330 1.00 0.00 O ATOM 0 H TYR A 120 -16.117 13.935 3.428 1.00 0.00 H new ATOM 0 HA TYR A 120 -17.845 11.856 2.403 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -16.232 12.042 4.974 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -17.059 10.607 4.401 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -16.156 11.120 1.351 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -14.079 10.927 5.070 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -14.115 10.393 0.186 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -12.049 10.214 3.907 1.00 0.00 H new ATOM 0 HH TYR A 120 -11.760 10.288 0.454 1.00 0.00 H new ATOM 2073 N ASP A 121 -19.968 12.650 3.566 1.00 0.00 N ATOM 2074 CA ASP A 121 -21.262 12.776 4.264 1.00 0.00 C ATOM 2075 C ASP A 121 -21.485 11.580 5.213 1.00 0.00 C ATOM 2076 O ASP A 121 -22.146 11.708 6.247 1.00 0.00 O ATOM 2077 CB ASP A 121 -22.406 12.869 3.220 1.00 0.00 C ATOM 2078 CG ASP A 121 -23.813 12.972 3.839 1.00 0.00 C ATOM 2079 OD1 ASP A 121 -24.151 14.037 4.397 1.00 0.00 O ATOM 2080 OD2 ASP A 121 -24.581 11.985 3.787 1.00 0.00 O ATOM 0 H ASP A 121 -20.063 12.528 2.558 1.00 0.00 H new ATOM 0 HA ASP A 121 -21.256 13.684 4.866 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -22.235 13.739 2.585 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -22.367 11.991 2.575 1.00 0.00 H new ATOM 2085 N LYS A 122 -20.943 10.417 4.825 1.00 0.00 N ATOM 2086 CA LYS A 122 -20.960 9.204 5.654 1.00 0.00 C ATOM 2087 C LYS A 122 -19.733 9.187 6.601 1.00 0.00 C ATOM 2088 O LYS A 122 -18.627 9.553 6.180 1.00 0.00 O ATOM 2089 CB LYS A 122 -21.004 7.942 4.747 1.00 0.00 C ATOM 2090 CG LYS A 122 -19.877 7.838 3.691 1.00 0.00 C ATOM 2091 CD LYS A 122 -20.098 6.672 2.696 1.00 0.00 C ATOM 2092 CE LYS A 122 -21.401 6.833 1.882 1.00 0.00 C ATOM 2093 NZ LYS A 122 -21.599 5.737 0.901 1.00 0.00 N ATOM 0 H LYS A 122 -20.479 10.291 3.925 1.00 0.00 H new ATOM 0 HA LYS A 122 -21.856 9.201 6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -20.964 7.058 5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -21.964 7.921 4.231 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -19.815 8.775 3.138 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -18.921 7.702 4.197 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -19.251 6.615 2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -20.129 5.731 3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -22.250 6.863 2.565 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -21.381 7.787 1.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -22.486 5.892 0.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -20.804 5.723 0.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -21.646 4.827 1.402 1.00 0.00 H new ATOM 2107 N PRO A 123 -19.913 8.778 7.900 1.00 0.00 N ATOM 2108 CA PRO A 123 -18.806 8.726 8.882 1.00 0.00 C ATOM 2109 C PRO A 123 -17.874 7.512 8.631 1.00 0.00 C ATOM 2110 O PRO A 123 -18.110 6.403 9.135 1.00 0.00 O ATOM 2111 CB PRO A 123 -19.554 8.643 10.242 1.00 0.00 C ATOM 2112 CG PRO A 123 -20.837 7.929 9.921 1.00 0.00 C ATOM 2113 CD PRO A 123 -21.204 8.338 8.503 1.00 0.00 C ATOM 0 HA PRO A 123 -18.134 9.583 8.829 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -18.971 8.097 10.984 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -19.743 9.635 10.652 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -20.711 6.849 9.995 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -21.624 8.207 10.623 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -21.639 7.506 7.949 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -21.939 9.142 8.499 1.00 0.00 H new ATOM 2121 N ILE A 124 -16.848 7.727 7.786 1.00 0.00 N ATOM 2122 CA ILE A 124 -15.848 6.692 7.457 1.00 0.00 C ATOM 2123 C ILE A 124 -14.830 6.584 8.602 1.00 0.00 C ATOM 2124 O ILE A 124 -14.314 7.598 9.071 1.00 0.00 O ATOM 2125 CB ILE A 124 -15.118 7.008 6.093 1.00 0.00 C ATOM 2126 CG1 ILE A 124 -16.165 7.129 4.935 1.00 0.00 C ATOM 2127 CG2 ILE A 124 -14.029 5.950 5.760 1.00 0.00 C ATOM 2128 CD1 ILE A 124 -15.583 7.339 3.543 1.00 0.00 C ATOM 0 H ILE A 124 -16.689 8.617 7.314 1.00 0.00 H new ATOM 0 HA ILE A 124 -16.362 5.738 7.337 1.00 0.00 H new ATOM 0 HB ILE A 124 -14.606 7.964 6.200 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -16.773 6.224 4.923 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -16.834 7.960 5.159 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -13.551 6.205 4.814 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -13.281 5.936 6.552 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -14.490 4.966 5.680 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -16.393 7.409 2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -15.000 8.260 3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -14.939 6.498 3.287 1.00 0.00 H new ATOM 2140 N LYS A 125 -14.559 5.352 9.058 1.00 0.00 N ATOM 2141 CA LYS A 125 -13.631 5.095 10.180 1.00 0.00 C ATOM 2142 C LYS A 125 -12.259 4.636 9.628 1.00 0.00 C ATOM 2143 O LYS A 125 -12.212 3.954 8.597 1.00 0.00 O ATOM 2144 CB LYS A 125 -14.225 4.048 11.188 1.00 0.00 C ATOM 2145 CG LYS A 125 -14.216 2.553 10.761 1.00 0.00 C ATOM 2146 CD LYS A 125 -15.140 2.203 9.564 1.00 0.00 C ATOM 2147 CE LYS A 125 -16.629 2.491 9.840 1.00 0.00 C ATOM 2148 NZ LYS A 125 -17.500 2.059 8.717 1.00 0.00 N ATOM 0 H LYS A 125 -14.972 4.507 8.665 1.00 0.00 H new ATOM 0 HA LYS A 125 -13.490 6.022 10.736 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -13.674 4.133 12.125 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -15.256 4.331 11.398 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -13.195 2.271 10.506 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -14.510 1.945 11.617 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -14.823 2.772 8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -15.020 1.148 9.318 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -16.934 1.978 10.752 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -16.765 3.558 10.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -18.492 2.272 8.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -17.228 2.567 7.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -17.391 1.036 8.567 1.00 0.00 H new ATOM 2162 N PRO A 126 -11.117 5.031 10.275 1.00 0.00 N ATOM 2163 CA PRO A 126 -9.777 4.552 9.876 1.00 0.00 C ATOM 2164 C PRO A 126 -9.481 3.126 10.382 1.00 0.00 C ATOM 2165 O PRO A 126 -10.144 2.622 11.301 1.00 0.00 O ATOM 2166 CB PRO A 126 -8.826 5.596 10.504 1.00 0.00 C ATOM 2167 CG PRO A 126 -9.553 6.093 11.717 1.00 0.00 C ATOM 2168 CD PRO A 126 -11.041 5.985 11.411 1.00 0.00 C ATOM 0 HA PRO A 126 -9.670 4.472 8.794 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -7.869 5.149 10.772 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -8.615 6.408 9.808 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -9.294 5.499 12.594 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -9.277 7.124 11.938 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -11.599 5.620 12.274 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -11.463 6.954 11.145 1.00 0.00 H new ATOM 2176 N LYS A 127 -8.486 2.486 9.746 1.00 0.00 N ATOM 2177 CA LYS A 127 -8.006 1.143 10.124 1.00 0.00 C ATOM 2178 C LYS A 127 -7.290 1.194 11.479 1.00 0.00 C ATOM 2179 O LYS A 127 -7.591 0.417 12.394 1.00 0.00 O ATOM 2180 CB LYS A 127 -7.057 0.584 9.026 1.00 0.00 C ATOM 2181 CG LYS A 127 -7.700 0.350 7.627 1.00 0.00 C ATOM 2182 CD LYS A 127 -8.664 -0.872 7.567 1.00 0.00 C ATOM 2183 CE LYS A 127 -10.102 -0.575 8.041 1.00 0.00 C ATOM 2184 NZ LYS A 127 -10.938 -1.799 8.078 1.00 0.00 N ATOM 0 H LYS A 127 -7.988 2.886 8.951 1.00 0.00 H new ATOM 0 HA LYS A 127 -8.864 0.477 10.214 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -6.221 1.274 8.910 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -6.643 -0.361 9.377 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -8.248 1.246 7.336 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -6.906 0.210 6.893 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -8.701 -1.239 6.541 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -8.252 -1.675 8.178 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -10.071 -0.127 9.034 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -10.560 0.157 7.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -11.896 -1.555 8.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -10.989 -2.213 7.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -10.516 -2.488 8.733 1.00 0.00 H new ATOM 2198 N ARG A 128 -6.339 2.123 11.568 1.00 0.00 N ATOM 2199 CA ARG A 128 -5.569 2.405 12.791 1.00 0.00 C ATOM 2200 C ARG A 128 -5.810 3.860 13.229 1.00 0.00 C ATOM 2201 O ARG A 128 -6.529 4.606 12.554 1.00 0.00 O ATOM 2202 CB ARG A 128 -4.055 2.154 12.542 1.00 0.00 C ATOM 2203 CG ARG A 128 -3.393 3.122 11.529 1.00 0.00 C ATOM 2204 CD ARG A 128 -1.877 2.893 11.395 1.00 0.00 C ATOM 2205 NE ARG A 128 -1.185 3.013 12.695 1.00 0.00 N ATOM 2206 CZ ARG A 128 0.140 3.127 12.869 1.00 0.00 C ATOM 2207 NH1 ARG A 128 0.964 3.212 11.826 1.00 0.00 N ATOM 2208 NH2 ARG A 128 0.625 3.178 14.098 1.00 0.00 N ATOM 0 H ARG A 128 -6.073 2.715 10.781 1.00 0.00 H new ATOM 0 HA ARG A 128 -5.900 1.737 13.586 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -3.528 2.229 13.493 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -3.924 1.132 12.185 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -3.863 2.998 10.553 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -3.575 4.150 11.842 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -1.695 1.903 10.977 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -1.461 3.617 10.694 1.00 0.00 H new ATOM 0 HE ARG A 128 -1.766 3.009 13.533 1.00 0.00 H new ATOM 0 HH11 ARG A 128 0.590 3.191 10.877 1.00 0.00 H new ATOM 0 HH12 ARG A 128 1.969 3.298 11.976 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -0.006 3.131 14.898 1.00 0.00 H new ATOM 0 HH22 ARG A 128 1.630 3.265 14.246 1.00 0.00 H new ATOM 2222 N LEU A 129 -5.200 4.249 14.359 1.00 0.00 N ATOM 2223 CA LEU A 129 -5.239 5.642 14.845 1.00 0.00 C ATOM 2224 C LEU A 129 -4.391 6.558 13.941 1.00 0.00 C ATOM 2225 O LEU A 129 -3.326 6.153 13.449 1.00 0.00 O ATOM 2226 CB LEU A 129 -4.777 5.757 16.337 1.00 0.00 C ATOM 2227 CG LEU A 129 -3.244 5.607 16.656 1.00 0.00 C ATOM 2228 CD1 LEU A 129 -2.955 5.904 18.141 1.00 0.00 C ATOM 2229 CD2 LEU A 129 -2.688 4.224 16.265 1.00 0.00 C ATOM 0 H LEU A 129 -4.670 3.616 14.958 1.00 0.00 H new ATOM 0 HA LEU A 129 -6.277 5.971 14.801 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -5.101 6.728 16.712 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -5.312 4.999 16.910 1.00 0.00 H new ATOM 0 HG LEU A 129 -2.728 6.345 16.042 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -1.888 5.793 18.333 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -3.261 6.924 18.374 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -3.511 5.206 18.767 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.626 4.177 16.508 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -3.221 3.449 16.816 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -2.823 4.067 15.195 1.00 0.00 H new ATOM 2241 N VAL A 130 -4.899 7.772 13.690 1.00 0.00 N ATOM 2242 CA VAL A 130 -4.159 8.824 12.970 1.00 0.00 C ATOM 2243 C VAL A 130 -3.667 9.862 14.004 1.00 0.00 C ATOM 2244 O VAL A 130 -4.469 10.666 14.485 1.00 0.00 O ATOM 2245 CB VAL A 130 -5.037 9.522 11.854 1.00 0.00 C ATOM 2246 CG1 VAL A 130 -4.209 10.565 11.051 1.00 0.00 C ATOM 2247 CG2 VAL A 130 -5.685 8.475 10.908 1.00 0.00 C ATOM 0 H VAL A 130 -5.835 8.055 13.980 1.00 0.00 H new ATOM 0 HA VAL A 130 -3.315 8.368 12.453 1.00 0.00 H new ATOM 0 HB VAL A 130 -5.842 10.056 12.359 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -4.842 11.026 10.293 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -3.836 11.333 11.729 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -3.368 10.068 10.568 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -6.281 8.987 10.153 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -4.903 7.893 10.420 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -6.326 7.809 11.486 1.00 0.00 H new ATOM 2257 N PRO A 131 -2.348 9.836 14.400 1.00 0.00 N ATOM 2258 CA PRO A 131 -1.789 10.797 15.385 1.00 0.00 C ATOM 2259 C PRO A 131 -1.690 12.228 14.813 1.00 0.00 C ATOM 2260 O PRO A 131 -1.982 12.461 13.634 1.00 0.00 O ATOM 2261 CB PRO A 131 -0.388 10.202 15.697 1.00 0.00 C ATOM 2262 CG PRO A 131 -0.010 9.481 14.442 1.00 0.00 C ATOM 2263 CD PRO A 131 -1.306 8.883 13.933 1.00 0.00 C ATOM 0 HA PRO A 131 -2.416 10.907 16.270 1.00 0.00 H new ATOM 0 HB2 PRO A 131 0.332 10.984 15.940 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -0.424 9.525 16.550 1.00 0.00 H new ATOM 0 HG2 PRO A 131 0.425 10.162 13.711 1.00 0.00 H new ATOM 0 HG3 PRO A 131 0.732 8.707 14.639 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -1.305 8.793 12.847 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -1.470 7.883 14.335 1.00 0.00 H new ATOM 2271 N VAL A 132 -1.263 13.171 15.672 1.00 0.00 N ATOM 2272 CA VAL A 132 -1.065 14.602 15.315 1.00 0.00 C ATOM 2273 C VAL A 132 -0.037 14.754 14.163 1.00 0.00 C ATOM 2274 O VAL A 132 -0.167 15.642 13.308 1.00 0.00 O ATOM 2275 CB VAL A 132 -0.614 15.443 16.580 1.00 0.00 C ATOM 2276 CG1 VAL A 132 -0.388 16.945 16.237 1.00 0.00 C ATOM 2277 CG2 VAL A 132 -1.630 15.275 17.749 1.00 0.00 C ATOM 0 H VAL A 132 -1.041 12.966 16.646 1.00 0.00 H new ATOM 0 HA VAL A 132 -2.021 14.993 14.968 1.00 0.00 H new ATOM 0 HB VAL A 132 0.348 15.047 16.906 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -0.080 17.481 17.135 1.00 0.00 H new ATOM 0 HG12 VAL A 132 0.390 17.032 15.478 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -1.315 17.375 15.858 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -1.299 15.862 18.606 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -2.613 15.622 17.430 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -1.690 14.224 18.030 1.00 0.00 H new ATOM 2287 N GLY A 133 0.953 13.840 14.144 1.00 0.00 N ATOM 2288 CA GLY A 133 1.965 13.770 13.085 1.00 0.00 C ATOM 2289 C GLY A 133 1.421 13.278 11.740 1.00 0.00 C ATOM 2290 O GLY A 133 2.093 13.420 10.713 1.00 0.00 O ATOM 0 H GLY A 133 1.069 13.130 14.867 1.00 0.00 H new ATOM 0 HA2 GLY A 133 2.404 14.758 12.949 1.00 0.00 H new ATOM 0 HA3 GLY A 133 2.768 13.106 13.406 1.00 0.00 H new ATOM 2294 N GLY A 134 0.210 12.686 11.762 1.00 0.00 N ATOM 2295 CA GLY A 134 -0.495 12.246 10.552 1.00 0.00 C ATOM 2296 C GLY A 134 0.019 10.912 10.005 1.00 0.00 C ATOM 2297 O GLY A 134 1.133 10.486 10.330 1.00 0.00 O ATOM 0 H GLY A 134 -0.304 12.501 12.624 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -1.559 12.155 10.772 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -0.393 13.010 9.782 1.00 0.00 H new ATOM 2301 N GLN A 135 -0.808 10.234 9.189 1.00 0.00 N ATOM 2302 CA GLN A 135 -0.450 8.947 8.542 1.00 0.00 C ATOM 2303 C GLN A 135 -0.352 9.120 7.026 1.00 0.00 C ATOM 2304 O GLN A 135 -1.091 9.899 6.444 1.00 0.00 O ATOM 2305 CB GLN A 135 -1.510 7.848 8.876 1.00 0.00 C ATOM 2306 CG GLN A 135 -1.598 7.458 10.357 1.00 0.00 C ATOM 2307 CD GLN A 135 -0.284 6.896 10.901 1.00 0.00 C ATOM 2308 OE1 GLN A 135 -0.032 5.701 10.828 1.00 0.00 O ATOM 2309 NE2 GLN A 135 0.567 7.766 11.428 1.00 0.00 N ATOM 0 H GLN A 135 -1.746 10.559 8.956 1.00 0.00 H new ATOM 0 HA GLN A 135 0.519 8.633 8.929 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -2.489 8.198 8.550 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -1.281 6.955 8.294 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -1.884 8.332 10.942 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -2.386 6.716 10.486 1.00 0.00 H new ATOM 0 HE21 GLN A 135 0.323 8.755 11.472 1.00 0.00 H new ATOM 0 HE22 GLN A 135 1.466 7.446 11.789 1.00 0.00 H new ATOM 2318 N TYR A 136 0.566 8.387 6.393 1.00 0.00 N ATOM 2319 CA TYR A 136 0.620 8.287 4.928 1.00 0.00 C ATOM 2320 C TYR A 136 -0.402 7.248 4.463 1.00 0.00 C ATOM 2321 O TYR A 136 -0.273 6.056 4.780 1.00 0.00 O ATOM 2322 CB TYR A 136 2.039 7.915 4.430 1.00 0.00 C ATOM 2323 CG TYR A 136 3.030 9.082 4.443 1.00 0.00 C ATOM 2324 CD1 TYR A 136 2.830 10.190 3.611 1.00 0.00 C ATOM 2325 CD2 TYR A 136 4.178 9.065 5.242 1.00 0.00 C ATOM 2326 CE1 TYR A 136 3.746 11.229 3.577 1.00 0.00 C ATOM 2327 CE2 TYR A 136 5.083 10.106 5.218 1.00 0.00 C ATOM 2328 CZ TYR A 136 4.870 11.181 4.380 1.00 0.00 C ATOM 2329 OH TYR A 136 5.808 12.192 4.328 1.00 0.00 O ATOM 0 H TYR A 136 1.288 7.850 6.873 1.00 0.00 H new ATOM 0 HA TYR A 136 0.378 9.261 4.503 1.00 0.00 H new ATOM 0 HB2 TYR A 136 2.432 7.111 5.052 1.00 0.00 H new ATOM 0 HB3 TYR A 136 1.966 7.525 3.415 1.00 0.00 H new ATOM 0 HD1 TYR A 136 1.950 10.236 2.987 1.00 0.00 H new ATOM 0 HD2 TYR A 136 4.359 8.221 5.890 1.00 0.00 H new ATOM 0 HE1 TYR A 136 3.582 12.074 2.925 1.00 0.00 H new ATOM 0 HE2 TYR A 136 5.956 10.079 5.854 1.00 0.00 H new ATOM 0 HH TYR A 136 6.533 11.999 4.959 1.00 0.00 H new ATOM 2339 N LEU A 137 -1.428 7.716 3.744 1.00 0.00 N ATOM 2340 CA LEU A 137 -2.439 6.844 3.142 1.00 0.00 C ATOM 2341 C LEU A 137 -1.846 6.302 1.830 1.00 0.00 C ATOM 2342 O LEU A 137 -1.448 7.082 0.962 1.00 0.00 O ATOM 2343 CB LEU A 137 -3.769 7.635 2.887 1.00 0.00 C ATOM 2344 CG LEU A 137 -5.118 6.828 2.969 1.00 0.00 C ATOM 2345 CD1 LEU A 137 -6.319 7.754 2.719 1.00 0.00 C ATOM 2346 CD2 LEU A 137 -5.159 5.610 2.011 1.00 0.00 C ATOM 0 H LEU A 137 -1.580 8.708 3.564 1.00 0.00 H new ATOM 0 HA LEU A 137 -2.690 6.019 3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -3.820 8.450 3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -3.707 8.088 1.898 1.00 0.00 H new ATOM 0 HG LEU A 137 -5.178 6.428 3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -7.242 7.177 2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -6.333 8.542 3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -6.235 8.200 1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -6.115 5.097 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -5.042 5.952 0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -4.349 4.924 2.260 1.00 0.00 H new ATOM 2358 N ARG A 138 -1.754 4.978 1.705 1.00 0.00 N ATOM 2359 CA ARG A 138 -1.319 4.319 0.458 1.00 0.00 C ATOM 2360 C ARG A 138 -2.460 3.446 -0.061 1.00 0.00 C ATOM 2361 O ARG A 138 -3.168 2.830 0.745 1.00 0.00 O ATOM 2362 CB ARG A 138 -0.004 3.487 0.652 1.00 0.00 C ATOM 2363 CG ARG A 138 -0.107 2.119 1.371 1.00 0.00 C ATOM 2364 CD ARG A 138 -0.486 2.230 2.858 1.00 0.00 C ATOM 2365 NE ARG A 138 -0.609 0.908 3.497 1.00 0.00 N ATOM 2366 CZ ARG A 138 -0.172 0.595 4.732 1.00 0.00 C ATOM 2367 NH1 ARG A 138 0.518 1.478 5.465 1.00 0.00 N ATOM 2368 NH2 ARG A 138 -0.404 -0.620 5.214 1.00 0.00 N ATOM 0 H ARG A 138 -1.977 4.328 2.459 1.00 0.00 H new ATOM 0 HA ARG A 138 -1.081 5.087 -0.278 1.00 0.00 H new ATOM 0 HB2 ARG A 138 0.430 3.314 -0.333 1.00 0.00 H new ATOM 0 HB3 ARG A 138 0.702 4.104 1.208 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -0.849 1.505 0.861 1.00 0.00 H new ATOM 0 HG3 ARG A 138 0.848 1.601 1.286 1.00 0.00 H new ATOM 0 HD2 ARG A 138 0.269 2.817 3.382 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -1.430 2.767 2.952 1.00 0.00 H new ATOM 0 HE ARG A 138 -1.062 0.169 2.960 1.00 0.00 H new ATOM 0 HH11 ARG A 138 0.720 2.405 5.090 1.00 0.00 H new ATOM 0 HH12 ARG A 138 0.841 1.224 6.398 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -0.908 -1.305 4.650 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -0.078 -0.869 6.148 1.00 0.00 H new ATOM 2382 N GLU A 139 -2.670 3.410 -1.393 1.00 0.00 N ATOM 2383 CA GLU A 139 -3.721 2.559 -1.971 1.00 0.00 C ATOM 2384 C GLU A 139 -3.339 2.152 -3.410 1.00 0.00 C ATOM 2385 O GLU A 139 -2.531 1.213 -3.554 1.00 0.00 O ATOM 2386 CB GLU A 139 -5.105 3.270 -1.886 1.00 0.00 C ATOM 2387 CG GLU A 139 -6.303 2.355 -2.176 1.00 0.00 C ATOM 2388 CD GLU A 139 -6.401 1.156 -1.209 1.00 0.00 C ATOM 2389 OE1 GLU A 139 -6.889 1.327 -0.066 1.00 0.00 O ATOM 2390 OE2 GLU A 139 -5.989 0.031 -1.581 1.00 0.00 O ATOM 2391 OXT GLU A 139 -3.814 2.776 -4.391 1.00 0.00 O ATOM 0 H GLU A 139 -2.136 3.950 -2.074 1.00 0.00 H new ATOM 0 HA GLU A 139 -3.809 1.639 -1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -5.221 3.696 -0.890 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -5.118 4.101 -2.592 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -7.221 2.939 -2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -6.229 1.984 -3.198 1.00 0.00 H new