USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=27 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 66 SER OG : rot 137:sc= 1.33 USER MOD Set 1.2: A 71 GLN : amide:sc= 1.09 K(o=2.4,f=-1) USER MOD Single : A 3 LYS NZ :NH3+ -159:sc= 0.555 (180deg=0.334) USER MOD Single : A 8 THR OG1 : rot 48:sc= 0.325 USER MOD Single : A 9 TYR OH : rot -109:sc= 0.218 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 138:sc= -0.169 (180deg=-0.708) USER MOD Single : A 21 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0321) USER MOD Single : A 22 LYS NZ :NH3+ -116:sc= -0.025 (180deg=-0.831) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= 1.53 (180deg=1.04) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= 0.656 (180deg=0.567) USER MOD Single : A 41 MET CE :methyl -156:sc= -1.23 (180deg=-2.43!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 177:sc= -0.159 (180deg=-0.177) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 MET CE :methyl -119:sc= -0.843 (180deg=-1.5) USER MOD Single : A 75 THR OG1 : rot 88:sc= 0.733 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0114 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 170:sc= -0.0115 (180deg=-0.116) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -148:sc= -0.492 (180deg=-1.6) 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+ -147:sc= 0.421 (180deg=-0.336) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl -173:sc= -0.195 (180deg=-0.329) USER MOD Single : A 118 LYS NZ :NH3+ 166:sc= 0.217 (180deg=-0.0362) USER MOD Single : A 119 LYS NZ :NH3+ 150:sc= -0.613 (180deg=-1.85!) USER MOD Single : A 120 TYR OH : rot 9:sc=-0.00636 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+ -166:sc= 0.708 (180deg=0.607) USER MOD Single : A 135 GLN : amide:sc= -0.44 K(o=-0.44,f=-4.8!) USER MOD Single : A 136 TYR OH : rot -85:sc= -1.35 USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 3 3.775 3.641 -3.895 1.00 0.00 N ATOM 30 CA LYS A 3 3.083 4.686 -4.677 1.00 0.00 C ATOM 31 C LYS A 3 2.380 5.727 -3.777 1.00 0.00 C ATOM 32 O LYS A 3 2.133 6.858 -4.220 1.00 0.00 O ATOM 33 CB LYS A 3 2.025 4.048 -5.621 1.00 0.00 C ATOM 34 CG LYS A 3 0.953 3.189 -4.895 1.00 0.00 C ATOM 35 CD LYS A 3 -0.255 2.812 -5.786 1.00 0.00 C ATOM 36 CE LYS A 3 -1.142 4.021 -6.135 1.00 0.00 C ATOM 37 NZ LYS A 3 -2.390 3.613 -6.834 1.00 0.00 N ATOM 0 HA LYS A 3 3.851 5.197 -5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.523 4.842 -6.174 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.538 3.424 -6.353 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.421 2.275 -4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.593 3.735 -4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.108 2.356 -6.707 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.857 2.061 -5.274 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.397 4.559 -5.222 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.582 4.711 -6.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.776 4.425 -7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.179 2.842 -7.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.088 3.287 -6.136 1.00 0.00 H new ATOM 51 N ILE A 4 2.046 5.316 -2.525 1.00 0.00 N ATOM 52 CA ILE A 4 1.235 6.122 -1.580 1.00 0.00 C ATOM 53 C ILE A 4 -0.181 6.339 -2.228 1.00 0.00 C ATOM 54 O ILE A 4 -0.593 5.536 -3.075 1.00 0.00 O ATOM 55 CB ILE A 4 2.005 7.475 -1.155 1.00 0.00 C ATOM 56 CG1 ILE A 4 3.495 7.161 -0.763 1.00 0.00 C ATOM 57 CG2 ILE A 4 1.326 8.249 0.019 1.00 0.00 C ATOM 58 CD1 ILE A 4 3.659 6.239 0.438 1.00 0.00 C ATOM 0 H ILE A 4 2.333 4.414 -2.144 1.00 0.00 H new ATOM 0 HA ILE A 4 1.087 5.601 -0.634 1.00 0.00 H new ATOM 0 HB ILE A 4 1.963 8.120 -2.033 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.994 6.710 -1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.007 8.101 -0.555 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.903 9.146 0.245 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.314 8.532 -0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.287 7.610 0.901 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.720 6.080 0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.194 6.694 1.312 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.181 5.282 0.230 1.00 0.00 H new ATOM 70 N VAL A 5 -0.970 7.274 -1.714 1.00 0.00 N ATOM 71 CA VAL A 5 -2.039 7.977 -2.465 1.00 0.00 C ATOM 72 C VAL A 5 -2.155 9.388 -1.888 1.00 0.00 C ATOM 73 O VAL A 5 -2.364 10.347 -2.624 1.00 0.00 O ATOM 74 CB VAL A 5 -3.472 7.289 -2.461 1.00 0.00 C ATOM 75 CG1 VAL A 5 -3.572 6.141 -3.489 1.00 0.00 C ATOM 76 CG2 VAL A 5 -3.893 6.814 -1.056 1.00 0.00 C ATOM 0 H VAL A 5 -0.895 7.582 -0.744 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.736 7.958 -3.512 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.177 8.063 -2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.569 5.702 -3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.388 6.532 -4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.830 5.378 -3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.879 6.352 -1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.170 6.087 -0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.928 7.667 -0.379 1.00 0.00 H new ATOM 86 N GLY A 6 -2.059 9.482 -0.547 1.00 0.00 N ATOM 87 CA GLY A 6 -2.077 10.753 0.155 1.00 0.00 C ATOM 88 C GLY A 6 -1.714 10.634 1.623 1.00 0.00 C ATOM 89 O GLY A 6 -1.109 9.652 2.053 1.00 0.00 O ATOM 0 H GLY A 6 -1.967 8.673 0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.381 11.438 -0.330 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.070 11.194 0.068 1.00 0.00 H new ATOM 93 N VAL A 7 -2.075 11.666 2.392 1.00 0.00 N ATOM 94 CA VAL A 7 -1.915 11.685 3.853 1.00 0.00 C ATOM 95 C VAL A 7 -3.260 12.073 4.491 1.00 0.00 C ATOM 96 O VAL A 7 -4.062 12.787 3.881 1.00 0.00 O ATOM 97 CB VAL A 7 -0.756 12.665 4.313 1.00 0.00 C ATOM 98 CG1 VAL A 7 -1.076 14.154 4.007 1.00 0.00 C ATOM 99 CG2 VAL A 7 -0.392 12.460 5.810 1.00 0.00 C ATOM 0 H VAL A 7 -2.490 12.519 2.017 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.622 10.690 4.189 1.00 0.00 H new ATOM 0 HB VAL A 7 0.120 12.405 3.719 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.249 14.780 4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.216 14.283 2.934 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.987 14.445 4.530 1.00 0.00 H new ATOM 0 HG21 VAL A 7 0.406 13.149 6.088 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.269 12.652 6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.056 11.435 5.966 1.00 0.00 H new ATOM 109 N THR A 8 -3.517 11.560 5.697 1.00 0.00 N ATOM 110 CA THR A 8 -4.716 11.878 6.471 1.00 0.00 C ATOM 111 C THR A 8 -4.297 12.467 7.823 1.00 0.00 C ATOM 112 O THR A 8 -3.373 11.965 8.470 1.00 0.00 O ATOM 113 CB THR A 8 -5.666 10.633 6.649 1.00 0.00 C ATOM 114 OG1 THR A 8 -6.800 10.979 7.462 1.00 0.00 O ATOM 115 CG2 THR A 8 -4.956 9.411 7.251 1.00 0.00 C ATOM 0 H THR A 8 -2.891 10.906 6.167 1.00 0.00 H new ATOM 0 HA THR A 8 -5.297 12.617 5.919 1.00 0.00 H new ATOM 0 HB THR A 8 -5.993 10.354 5.647 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.192 11.816 7.137 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.665 8.589 7.347 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.136 9.109 6.599 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.562 9.667 8.234 1.00 0.00 H new ATOM 123 N TYR A 9 -4.955 13.563 8.220 1.00 0.00 N ATOM 124 CA TYR A 9 -4.681 14.276 9.482 1.00 0.00 C ATOM 125 C TYR A 9 -5.995 14.463 10.252 1.00 0.00 C ATOM 126 O TYR A 9 -7.034 14.671 9.630 1.00 0.00 O ATOM 127 CB TYR A 9 -4.010 15.664 9.218 1.00 0.00 C ATOM 128 CG TYR A 9 -2.476 15.659 9.228 1.00 0.00 C ATOM 129 CD1 TYR A 9 -1.733 15.324 8.093 1.00 0.00 C ATOM 130 CD2 TYR A 9 -1.770 16.001 10.385 1.00 0.00 C ATOM 131 CE1 TYR A 9 -0.350 15.331 8.116 1.00 0.00 C ATOM 132 CE2 TYR A 9 -0.394 16.009 10.409 1.00 0.00 C ATOM 133 CZ TYR A 9 0.311 15.675 9.276 1.00 0.00 C ATOM 134 OH TYR A 9 1.687 15.681 9.310 1.00 0.00 O ATOM 0 H TYR A 9 -5.702 13.988 7.670 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.986 13.680 10.074 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.350 16.036 8.252 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.360 16.369 9.972 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.247 15.055 7.182 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.316 16.264 11.279 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.209 15.068 7.230 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.131 16.277 11.314 1.00 0.00 H new ATOM 0 HH TYR A 9 2.004 14.929 9.853 1.00 0.00 H new ATOM 144 N PRO A 10 -5.955 14.394 11.626 1.00 0.00 N ATOM 145 CA PRO A 10 -7.108 14.750 12.490 1.00 0.00 C ATOM 146 C PRO A 10 -7.594 16.193 12.237 1.00 0.00 C ATOM 147 O PRO A 10 -8.786 16.488 12.370 1.00 0.00 O ATOM 148 CB PRO A 10 -6.554 14.594 13.931 1.00 0.00 C ATOM 149 CG PRO A 10 -5.389 13.667 13.792 1.00 0.00 C ATOM 150 CD PRO A 10 -4.791 13.950 12.435 1.00 0.00 C ATOM 0 HA PRO A 10 -7.976 14.120 12.296 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.248 15.555 14.344 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.308 14.184 14.603 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.659 13.837 14.583 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.707 12.627 13.869 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -4.022 14.721 12.488 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -4.323 13.062 12.010 1.00 0.00 H new ATOM 158 N ILE A 11 -6.620 17.065 11.858 1.00 0.00 N ATOM 159 CA ILE A 11 -6.815 18.502 11.564 1.00 0.00 C ATOM 160 C ILE A 11 -7.172 19.295 12.859 1.00 0.00 C ATOM 161 O ILE A 11 -8.015 18.849 13.638 1.00 0.00 O ATOM 162 CB ILE A 11 -7.894 18.754 10.421 1.00 0.00 C ATOM 163 CG1 ILE A 11 -7.478 18.052 9.087 1.00 0.00 C ATOM 164 CG2 ILE A 11 -8.132 20.267 10.180 1.00 0.00 C ATOM 165 CD1 ILE A 11 -6.196 18.584 8.458 1.00 0.00 C ATOM 0 H ILE A 11 -5.649 16.773 11.747 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.865 18.875 11.183 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.831 18.317 10.765 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.358 16.985 9.276 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.290 18.159 8.368 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.875 20.398 9.393 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.492 20.730 11.099 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.197 20.739 9.878 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.988 18.037 7.538 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.314 19.644 8.231 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.367 18.452 9.154 1.00 0.00 H new ATOM 177 N PRO A 12 -6.494 20.466 13.139 1.00 0.00 N ATOM 178 CA PRO A 12 -6.872 21.374 14.264 1.00 0.00 C ATOM 179 C PRO A 12 -8.380 21.747 14.232 1.00 0.00 C ATOM 180 O PRO A 12 -8.926 22.060 13.170 1.00 0.00 O ATOM 181 CB PRO A 12 -5.952 22.617 14.059 1.00 0.00 C ATOM 182 CG PRO A 12 -5.379 22.462 12.678 1.00 0.00 C ATOM 183 CD PRO A 12 -5.294 20.978 12.430 1.00 0.00 C ATOM 0 HA PRO A 12 -6.734 20.911 15.241 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.518 23.544 14.148 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.163 22.651 14.811 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.013 22.946 11.935 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.395 22.927 12.609 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.319 20.742 11.366 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.374 20.552 12.829 1.00 0.00 H new ATOM 191 N LYS A 13 -9.026 21.705 15.417 1.00 0.00 N ATOM 192 CA LYS A 13 -10.499 21.803 15.557 1.00 0.00 C ATOM 193 C LYS A 13 -11.046 23.181 15.141 1.00 0.00 C ATOM 194 O LYS A 13 -12.218 23.299 14.758 1.00 0.00 O ATOM 195 CB LYS A 13 -10.929 21.463 17.012 1.00 0.00 C ATOM 196 CG LYS A 13 -10.427 22.449 18.093 1.00 0.00 C ATOM 197 CD LYS A 13 -10.915 22.079 19.518 1.00 0.00 C ATOM 198 CE LYS A 13 -12.454 22.025 19.640 1.00 0.00 C ATOM 199 NZ LYS A 13 -12.906 21.759 21.036 1.00 0.00 N ATOM 0 H LYS A 13 -8.541 21.602 16.308 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.932 21.073 14.873 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.018 21.427 17.053 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.567 20.464 17.257 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.337 22.470 18.081 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.768 23.455 17.847 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.501 21.110 19.797 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.526 22.808 20.229 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.876 22.970 19.299 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.841 21.247 18.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.945 21.732 21.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.527 20.845 21.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.561 22.514 21.662 1.00 0.00 H new ATOM 213 N ARG A 14 -10.189 24.214 15.233 1.00 0.00 N ATOM 214 CA ARG A 14 -10.516 25.581 14.782 1.00 0.00 C ATOM 215 C ARG A 14 -10.698 25.614 13.250 1.00 0.00 C ATOM 216 O ARG A 14 -11.565 26.318 12.721 1.00 0.00 O ATOM 217 CB ARG A 14 -9.374 26.570 15.155 1.00 0.00 C ATOM 218 CG ARG A 14 -9.005 26.671 16.650 1.00 0.00 C ATOM 219 CD ARG A 14 -7.814 27.629 16.866 1.00 0.00 C ATOM 220 NE ARG A 14 -7.355 27.693 18.263 1.00 0.00 N ATOM 221 CZ ARG A 14 -6.257 28.355 18.674 1.00 0.00 C ATOM 222 NH1 ARG A 14 -5.494 29.029 17.814 1.00 0.00 N ATOM 223 NH2 ARG A 14 -5.928 28.352 19.954 1.00 0.00 N ATOM 0 H ARG A 14 -9.250 24.126 15.622 1.00 0.00 H new ATOM 0 HA ARG A 14 -11.441 25.878 15.276 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.480 26.281 14.603 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -9.657 27.563 14.807 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -9.866 27.024 17.217 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.754 25.682 17.033 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.984 27.312 16.234 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.099 28.629 16.540 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.906 27.203 18.967 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.738 29.050 16.824 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.666 29.524 18.146 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -6.505 27.849 20.628 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.097 28.853 20.268 1.00 0.00 H new ATOM 237 N PHE A 15 -9.858 24.820 12.560 1.00 0.00 N ATOM 238 CA PHE A 15 -9.601 24.969 11.116 1.00 0.00 C ATOM 239 C PHE A 15 -10.093 23.759 10.301 1.00 0.00 C ATOM 240 O PHE A 15 -9.747 23.633 9.121 1.00 0.00 O ATOM 241 CB PHE A 15 -8.079 25.181 10.898 1.00 0.00 C ATOM 242 CG PHE A 15 -7.467 26.267 11.782 1.00 0.00 C ATOM 243 CD1 PHE A 15 -7.953 27.571 11.754 1.00 0.00 C ATOM 244 CD2 PHE A 15 -6.414 25.980 12.646 1.00 0.00 C ATOM 245 CE1 PHE A 15 -7.401 28.545 12.560 1.00 0.00 C ATOM 246 CE2 PHE A 15 -5.862 26.951 13.448 1.00 0.00 C ATOM 247 CZ PHE A 15 -6.359 28.229 13.407 1.00 0.00 C ATOM 0 H PHE A 15 -9.337 24.055 12.990 1.00 0.00 H new ATOM 0 HA PHE A 15 -10.162 25.833 10.759 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.562 24.240 11.086 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.905 25.437 9.853 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.770 27.823 11.095 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.023 24.974 12.687 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.784 29.554 12.528 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -5.041 26.709 14.107 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.932 28.992 14.041 1.00 0.00 H new ATOM 257 N MET A 16 -10.911 22.888 10.924 1.00 0.00 N ATOM 258 CA MET A 16 -11.468 21.685 10.259 1.00 0.00 C ATOM 259 C MET A 16 -12.333 22.083 9.046 1.00 0.00 C ATOM 260 O MET A 16 -12.236 21.484 7.973 1.00 0.00 O ATOM 261 CB MET A 16 -12.301 20.839 11.267 1.00 0.00 C ATOM 262 CG MET A 16 -12.895 19.539 10.680 1.00 0.00 C ATOM 263 SD MET A 16 -13.986 18.661 11.830 1.00 0.00 S ATOM 264 CE MET A 16 -15.281 19.876 12.095 1.00 0.00 C ATOM 0 H MET A 16 -11.205 22.994 11.895 1.00 0.00 H new ATOM 0 HA MET A 16 -10.636 21.078 9.902 1.00 0.00 H new ATOM 0 HB2 MET A 16 -11.667 20.582 12.116 1.00 0.00 H new ATOM 0 HB3 MET A 16 -13.115 21.454 11.651 1.00 0.00 H new ATOM 0 HG2 MET A 16 -13.452 19.780 9.775 1.00 0.00 H new ATOM 0 HG3 MET A 16 -12.081 18.877 10.386 1.00 0.00 H new ATOM 0 HE1 MET A 16 -16.252 19.380 12.089 1.00 0.00 H new ATOM 0 HE2 MET A 16 -15.129 20.366 13.057 1.00 0.00 H new ATOM 0 HE3 MET A 16 -15.249 20.621 11.300 1.00 0.00 H new ATOM 274 N ASP A 17 -13.131 23.145 9.233 1.00 0.00 N ATOM 275 CA ASP A 17 -14.139 23.600 8.255 1.00 0.00 C ATOM 276 C ASP A 17 -13.523 24.414 7.099 1.00 0.00 C ATOM 277 O ASP A 17 -14.167 24.553 6.063 1.00 0.00 O ATOM 278 CB ASP A 17 -15.218 24.453 8.973 1.00 0.00 C ATOM 279 CG ASP A 17 -14.698 25.837 9.416 1.00 0.00 C ATOM 280 OD1 ASP A 17 -13.795 25.895 10.282 1.00 0.00 O ATOM 281 OD2 ASP A 17 -15.178 26.871 8.898 1.00 0.00 O ATOM 0 H ASP A 17 -13.097 23.720 10.075 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.588 22.707 7.819 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -16.070 24.588 8.306 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -15.580 23.911 9.846 1.00 0.00 H new ATOM 286 N ARG A 18 -12.287 24.944 7.292 1.00 0.00 N ATOM 287 CA ARG A 18 -11.632 25.875 6.324 1.00 0.00 C ATOM 288 C ARG A 18 -11.611 25.304 4.892 1.00 0.00 C ATOM 289 O ARG A 18 -12.019 25.974 3.924 1.00 0.00 O ATOM 290 CB ARG A 18 -10.177 26.182 6.758 1.00 0.00 C ATOM 291 CG ARG A 18 -10.020 26.911 8.104 1.00 0.00 C ATOM 292 CD ARG A 18 -10.755 28.274 8.185 1.00 0.00 C ATOM 293 NE ARG A 18 -12.035 28.188 8.921 1.00 0.00 N ATOM 294 CZ ARG A 18 -12.584 29.188 9.638 1.00 0.00 C ATOM 295 NH1 ARG A 18 -12.035 30.400 9.670 1.00 0.00 N ATOM 296 NH2 ARG A 18 -13.693 28.965 10.311 1.00 0.00 N ATOM 0 H ARG A 18 -11.718 24.743 8.114 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.224 26.790 6.325 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.627 25.242 6.809 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.706 26.786 5.982 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.391 26.264 8.899 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.959 27.073 8.294 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.108 29.003 8.673 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.944 28.641 7.176 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.541 27.303 8.883 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.181 30.587 9.145 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.468 31.142 10.220 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.128 28.043 10.286 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.118 29.715 10.857 1.00 0.00 H new ATOM 310 N PHE A 19 -11.175 24.041 4.804 1.00 0.00 N ATOM 311 CA PHE A 19 -11.006 23.323 3.531 1.00 0.00 C ATOM 312 C PHE A 19 -12.373 23.094 2.853 1.00 0.00 C ATOM 313 O PHE A 19 -12.476 23.117 1.632 1.00 0.00 O ATOM 314 CB PHE A 19 -10.317 21.952 3.800 1.00 0.00 C ATOM 315 CG PHE A 19 -9.007 22.026 4.592 1.00 0.00 C ATOM 316 CD1 PHE A 19 -9.007 22.009 5.989 1.00 0.00 C ATOM 317 CD2 PHE A 19 -7.774 22.101 3.940 1.00 0.00 C ATOM 318 CE1 PHE A 19 -7.825 22.072 6.698 1.00 0.00 C ATOM 319 CE2 PHE A 19 -6.593 22.161 4.653 1.00 0.00 C ATOM 320 CZ PHE A 19 -6.621 22.147 6.029 1.00 0.00 C ATOM 0 H PHE A 19 -10.927 23.483 5.621 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.385 23.924 2.866 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -11.015 21.312 4.341 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.118 21.469 2.843 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.945 21.946 6.521 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.744 22.112 2.860 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.842 22.063 7.778 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.649 22.219 4.132 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.697 22.195 6.587 1.00 0.00 H new ATOM 330 N PHE A 20 -13.429 22.964 3.674 1.00 0.00 N ATOM 331 CA PHE A 20 -14.806 22.675 3.209 1.00 0.00 C ATOM 332 C PHE A 20 -15.619 23.969 3.024 1.00 0.00 C ATOM 333 O PHE A 20 -16.727 23.942 2.485 1.00 0.00 O ATOM 334 CB PHE A 20 -15.514 21.761 4.237 1.00 0.00 C ATOM 335 CG PHE A 20 -14.739 20.497 4.585 1.00 0.00 C ATOM 336 CD1 PHE A 20 -14.521 19.516 3.629 1.00 0.00 C ATOM 337 CD2 PHE A 20 -14.234 20.289 5.867 1.00 0.00 C ATOM 338 CE1 PHE A 20 -13.826 18.368 3.936 1.00 0.00 C ATOM 339 CE2 PHE A 20 -13.536 19.140 6.173 1.00 0.00 C ATOM 340 CZ PHE A 20 -13.334 18.181 5.207 1.00 0.00 C ATOM 0 H PHE A 20 -13.356 23.056 4.687 1.00 0.00 H new ATOM 0 HA PHE A 20 -14.742 22.174 2.243 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -15.690 22.329 5.151 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -16.490 21.479 3.844 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -14.902 19.655 2.628 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -14.391 21.037 6.630 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -13.667 17.614 3.179 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -13.148 18.993 7.170 1.00 0.00 H new ATOM 0 HZ PHE A 20 -12.788 17.280 5.447 1.00 0.00 H new ATOM 350 N LYS A 21 -15.076 25.080 3.534 1.00 0.00 N ATOM 351 CA LYS A 21 -15.705 26.404 3.458 1.00 0.00 C ATOM 352 C LYS A 21 -15.477 26.980 2.060 1.00 0.00 C ATOM 353 O LYS A 21 -16.421 27.394 1.379 1.00 0.00 O ATOM 354 CB LYS A 21 -15.116 27.308 4.592 1.00 0.00 C ATOM 355 CG LYS A 21 -15.647 28.768 4.692 1.00 0.00 C ATOM 356 CD LYS A 21 -14.860 29.781 3.817 1.00 0.00 C ATOM 357 CE LYS A 21 -15.365 31.227 3.965 1.00 0.00 C ATOM 358 NZ LYS A 21 -16.789 31.373 3.549 1.00 0.00 N ATOM 0 H LYS A 21 -14.177 25.086 4.017 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.782 26.345 3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.302 26.816 5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -14.035 27.351 4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.696 28.784 4.396 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.604 29.090 5.732 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.805 29.742 4.087 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.933 29.482 2.771 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.257 31.543 5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.743 31.890 3.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.065 32.374 3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.902 31.033 2.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.395 30.813 4.182 1.00 0.00 H new ATOM 372 N LYS A 22 -14.205 26.989 1.640 1.00 0.00 N ATOM 373 CA LYS A 22 -13.793 27.584 0.350 1.00 0.00 C ATOM 374 C LYS A 22 -13.555 26.518 -0.735 1.00 0.00 C ATOM 375 O LYS A 22 -13.522 26.848 -1.924 1.00 0.00 O ATOM 376 CB LYS A 22 -12.528 28.443 0.589 1.00 0.00 C ATOM 377 CG LYS A 22 -11.330 27.665 1.193 1.00 0.00 C ATOM 378 CD LYS A 22 -10.294 28.579 1.884 1.00 0.00 C ATOM 379 CE LYS A 22 -10.873 29.290 3.117 1.00 0.00 C ATOM 380 NZ LYS A 22 -9.905 30.221 3.732 1.00 0.00 N ATOM 0 H LYS A 22 -13.434 26.589 2.175 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.601 28.213 -0.025 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.219 28.884 -0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.784 29.267 1.255 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.704 26.940 1.916 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.836 27.101 0.402 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.430 27.985 2.182 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.938 29.324 1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.770 29.839 2.830 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.177 28.546 3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.670 29.894 4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.040 30.254 3.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.323 31.172 3.784 1.00 0.00 H new ATOM 394 N GLY A 23 -13.401 25.250 -0.317 1.00 0.00 N ATOM 395 CA GLY A 23 -13.156 24.135 -1.244 1.00 0.00 C ATOM 396 C GLY A 23 -11.778 24.162 -1.902 1.00 0.00 C ATOM 397 O GLY A 23 -11.510 23.373 -2.816 1.00 0.00 O ATOM 0 H GLY A 23 -13.442 24.972 0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.270 23.195 -0.703 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.919 24.150 -2.022 1.00 0.00 H new ATOM 401 N LYS A 24 -10.903 25.050 -1.403 1.00 0.00 N ATOM 402 CA LYS A 24 -9.581 25.314 -1.977 1.00 0.00 C ATOM 403 C LYS A 24 -8.716 26.051 -0.932 1.00 0.00 C ATOM 404 O LYS A 24 -8.759 27.278 -0.807 1.00 0.00 O ATOM 405 CB LYS A 24 -9.719 26.099 -3.318 1.00 0.00 C ATOM 406 CG LYS A 24 -10.544 27.401 -3.241 1.00 0.00 C ATOM 407 CD LYS A 24 -10.775 28.042 -4.623 1.00 0.00 C ATOM 408 CE LYS A 24 -11.545 29.368 -4.537 1.00 0.00 C ATOM 409 NZ LYS A 24 -11.802 29.940 -5.885 1.00 0.00 N ATOM 0 H LYS A 24 -11.101 25.612 -0.575 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.078 24.378 -2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.721 26.343 -3.681 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.176 25.442 -4.058 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.508 27.189 -2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.031 28.114 -2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.813 28.215 -5.105 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.327 27.346 -5.255 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.493 29.207 -4.023 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.976 30.082 -3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.324 30.835 -5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.897 30.117 -6.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.366 29.269 -6.445 1.00 0.00 H new ATOM 423 N ASP A 25 -7.952 25.274 -0.160 1.00 0.00 N ATOM 424 CA ASP A 25 -7.257 25.763 1.045 1.00 0.00 C ATOM 425 C ASP A 25 -5.755 25.396 0.958 1.00 0.00 C ATOM 426 O ASP A 25 -5.320 24.876 -0.059 1.00 0.00 O ATOM 427 CB ASP A 25 -7.974 25.150 2.277 1.00 0.00 C ATOM 428 CG ASP A 25 -7.649 25.835 3.619 1.00 0.00 C ATOM 429 OD1 ASP A 25 -8.329 26.823 3.978 1.00 0.00 O ATOM 430 OD2 ASP A 25 -6.708 25.395 4.305 1.00 0.00 O ATOM 0 H ASP A 25 -7.794 24.284 -0.349 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.298 26.849 1.134 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.051 25.195 2.113 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.706 24.096 2.349 1.00 0.00 H new ATOM 435 N VAL A 26 -4.955 25.717 1.990 1.00 0.00 N ATOM 436 CA VAL A 26 -3.495 25.465 2.018 1.00 0.00 C ATOM 437 C VAL A 26 -3.087 25.029 3.437 1.00 0.00 C ATOM 438 O VAL A 26 -3.234 25.797 4.387 1.00 0.00 O ATOM 439 CB VAL A 26 -2.651 26.739 1.580 1.00 0.00 C ATOM 440 CG1 VAL A 26 -1.132 26.563 1.848 1.00 0.00 C ATOM 441 CG2 VAL A 26 -2.901 27.096 0.093 1.00 0.00 C ATOM 0 H VAL A 26 -5.303 26.163 2.839 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.278 24.676 1.298 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.997 27.567 2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.600 27.460 1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.967 26.400 2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.761 25.705 1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.310 27.971 -0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.611 26.255 -0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.959 27.313 -0.056 1.00 0.00 H new ATOM 451 N PHE A 27 -2.562 23.800 3.563 1.00 0.00 N ATOM 452 CA PHE A 27 -2.132 23.231 4.854 1.00 0.00 C ATOM 453 C PHE A 27 -0.603 23.351 4.983 1.00 0.00 C ATOM 454 O PHE A 27 0.127 22.725 4.229 1.00 0.00 O ATOM 455 CB PHE A 27 -2.590 21.749 4.960 1.00 0.00 C ATOM 456 CG PHE A 27 -2.382 21.109 6.332 1.00 0.00 C ATOM 457 CD1 PHE A 27 -3.287 21.339 7.362 1.00 0.00 C ATOM 458 CD2 PHE A 27 -1.301 20.262 6.584 1.00 0.00 C ATOM 459 CE1 PHE A 27 -3.125 20.752 8.599 1.00 0.00 C ATOM 460 CE2 PHE A 27 -1.148 19.668 7.820 1.00 0.00 C ATOM 461 CZ PHE A 27 -2.056 19.913 8.826 1.00 0.00 C ATOM 0 H PHE A 27 -2.423 23.170 2.773 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.593 23.785 5.672 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.648 21.692 4.705 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.051 21.163 4.216 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.132 21.989 7.190 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.578 20.070 5.805 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.835 20.950 9.389 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.312 19.008 7.999 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.930 19.448 9.792 1.00 0.00 H new ATOM 471 N VAL A 28 -0.115 24.159 5.939 1.00 0.00 N ATOM 472 CA VAL A 28 1.335 24.375 6.133 1.00 0.00 C ATOM 473 C VAL A 28 1.911 23.393 7.180 1.00 0.00 C ATOM 474 O VAL A 28 1.252 23.054 8.177 1.00 0.00 O ATOM 475 CB VAL A 28 1.662 25.870 6.513 1.00 0.00 C ATOM 476 CG1 VAL A 28 1.301 26.822 5.347 1.00 0.00 C ATOM 477 CG2 VAL A 28 0.944 26.301 7.812 1.00 0.00 C ATOM 0 H VAL A 28 -0.703 24.676 6.593 1.00 0.00 H new ATOM 0 HA VAL A 28 1.821 24.172 5.179 1.00 0.00 H new ATOM 0 HB VAL A 28 2.735 25.934 6.695 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.534 27.848 5.630 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.877 26.549 4.463 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.237 26.740 5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.195 27.337 8.040 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.134 26.209 7.679 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.264 25.661 8.634 1.00 0.00 H new ATOM 487 N LYS A 29 3.139 22.901 6.902 1.00 0.00 N ATOM 488 CA LYS A 29 3.899 21.962 7.761 1.00 0.00 C ATOM 489 C LYS A 29 5.358 22.458 7.949 1.00 0.00 C ATOM 490 O LYS A 29 6.036 22.698 6.959 1.00 0.00 O ATOM 491 CB LYS A 29 3.896 20.524 7.122 1.00 0.00 C ATOM 492 CG LYS A 29 2.547 19.755 7.204 1.00 0.00 C ATOM 493 CD LYS A 29 2.375 18.895 8.489 1.00 0.00 C ATOM 494 CE LYS A 29 2.333 19.689 9.807 1.00 0.00 C ATOM 495 NZ LYS A 29 1.202 20.655 9.869 1.00 0.00 N ATOM 0 H LYS A 29 3.643 23.152 6.052 1.00 0.00 H new ATOM 0 HA LYS A 29 3.418 21.918 8.738 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.181 20.611 6.073 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.665 19.927 7.612 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.729 20.474 7.150 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.459 19.106 6.333 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.454 18.319 8.401 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.195 18.179 8.540 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.255 18.993 10.642 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.272 20.229 9.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.014 20.906 10.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.449 21.513 9.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.352 20.222 9.454 1.00 0.00 H new ATOM 509 N PRO A 30 5.864 22.629 9.218 1.00 0.00 N ATOM 510 CA PRO A 30 7.294 22.964 9.483 1.00 0.00 C ATOM 511 C PRO A 30 8.231 21.734 9.320 1.00 0.00 C ATOM 512 O PRO A 30 8.724 21.173 10.305 1.00 0.00 O ATOM 513 CB PRO A 30 7.262 23.499 10.940 1.00 0.00 C ATOM 514 CG PRO A 30 6.109 22.787 11.580 1.00 0.00 C ATOM 515 CD PRO A 30 5.079 22.568 10.481 1.00 0.00 C ATOM 0 HA PRO A 30 7.700 23.687 8.776 1.00 0.00 H new ATOM 0 HB2 PRO A 30 8.196 23.288 11.460 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.122 24.580 10.962 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.428 21.837 12.009 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.690 23.379 12.394 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.579 21.606 10.592 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.304 23.334 10.504 1.00 0.00 H new ATOM 523 N ALA A 31 8.419 21.309 8.044 1.00 0.00 N ATOM 524 CA ALA A 31 9.291 20.165 7.640 1.00 0.00 C ATOM 525 C ALA A 31 8.951 18.839 8.380 1.00 0.00 C ATOM 526 O ALA A 31 9.786 17.930 8.467 1.00 0.00 O ATOM 527 CB ALA A 31 10.777 20.541 7.820 1.00 0.00 C ATOM 0 H ALA A 31 7.962 21.757 7.250 1.00 0.00 H new ATOM 0 HA ALA A 31 9.094 19.973 6.585 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.404 19.700 7.523 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.011 21.406 7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.967 20.783 8.866 1.00 0.00 H new ATOM 533 N THR A 32 7.702 18.738 8.855 1.00 0.00 N ATOM 534 CA THR A 32 7.232 17.642 9.729 1.00 0.00 C ATOM 535 C THR A 32 7.069 16.328 8.943 1.00 0.00 C ATOM 536 O THR A 32 7.560 15.266 9.355 1.00 0.00 O ATOM 537 CB THR A 32 5.866 18.045 10.379 1.00 0.00 C ATOM 538 OG1 THR A 32 5.985 19.354 10.959 1.00 0.00 O ATOM 539 CG2 THR A 32 5.401 17.049 11.458 1.00 0.00 C ATOM 0 H THR A 32 6.976 19.422 8.643 1.00 0.00 H new ATOM 0 HA THR A 32 7.979 17.478 10.505 1.00 0.00 H new ATOM 0 HB THR A 32 5.116 18.037 9.588 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.131 19.611 11.366 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.449 17.380 11.873 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.279 16.061 11.013 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.145 17.000 12.253 1.00 0.00 H new ATOM 547 N VAL A 33 6.377 16.440 7.803 1.00 0.00 N ATOM 548 CA VAL A 33 6.072 15.313 6.913 1.00 0.00 C ATOM 549 C VAL A 33 7.316 14.862 6.122 1.00 0.00 C ATOM 550 O VAL A 33 8.212 15.666 5.822 1.00 0.00 O ATOM 551 CB VAL A 33 4.900 15.676 5.921 1.00 0.00 C ATOM 552 CG1 VAL A 33 3.535 15.754 6.646 1.00 0.00 C ATOM 553 CG2 VAL A 33 5.202 16.989 5.163 1.00 0.00 C ATOM 0 H VAL A 33 6.008 17.330 7.468 1.00 0.00 H new ATOM 0 HA VAL A 33 5.752 14.483 7.543 1.00 0.00 H new ATOM 0 HB VAL A 33 4.832 14.870 5.190 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.755 16.006 5.927 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.310 14.790 7.102 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.577 16.521 7.420 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.378 17.216 4.486 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.319 17.803 5.878 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.122 16.875 4.590 1.00 0.00 H new ATOM 563 N TRP A 34 7.355 13.558 5.816 1.00 0.00 N ATOM 564 CA TRP A 34 8.404 12.941 4.983 1.00 0.00 C ATOM 565 C TRP A 34 8.232 13.315 3.491 1.00 0.00 C ATOM 566 O TRP A 34 7.275 13.994 3.099 1.00 0.00 O ATOM 567 CB TRP A 34 8.382 11.400 5.160 1.00 0.00 C ATOM 568 CG TRP A 34 8.743 10.931 6.556 1.00 0.00 C ATOM 569 CD1 TRP A 34 7.899 10.767 7.624 1.00 0.00 C ATOM 570 CD2 TRP A 34 10.053 10.567 7.028 1.00 0.00 C ATOM 571 NE1 TRP A 34 8.602 10.326 8.717 1.00 0.00 N ATOM 572 CE2 TRP A 34 9.924 10.201 8.379 1.00 0.00 C ATOM 573 CE3 TRP A 34 11.326 10.529 6.438 1.00 0.00 C ATOM 574 CZ2 TRP A 34 11.013 9.794 9.153 1.00 0.00 C ATOM 575 CZ3 TRP A 34 12.404 10.118 7.205 1.00 0.00 C ATOM 576 CH2 TRP A 34 12.242 9.758 8.550 1.00 0.00 C ATOM 0 H TRP A 34 6.654 12.893 6.142 1.00 0.00 H new ATOM 0 HA TRP A 34 9.369 13.326 5.312 1.00 0.00 H new ATOM 0 HB2 TRP A 34 7.387 11.031 4.910 1.00 0.00 H new ATOM 0 HB3 TRP A 34 9.076 10.953 4.448 1.00 0.00 H new ATOM 0 HD1 TRP A 34 6.836 10.957 7.608 1.00 0.00 H new ATOM 0 HE1 TRP A 34 8.204 10.124 9.634 1.00 0.00 H new ATOM 0 HE3 TRP A 34 11.463 10.815 5.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 10.890 9.518 10.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 13.387 10.074 6.759 1.00 0.00 H new ATOM 0 HH2 TRP A 34 13.103 9.446 9.122 1.00 0.00 H new ATOM 587 N LYS A 35 9.160 12.804 2.665 1.00 0.00 N ATOM 588 CA LYS A 35 9.251 13.111 1.220 1.00 0.00 C ATOM 589 C LYS A 35 8.047 12.554 0.407 1.00 0.00 C ATOM 590 O LYS A 35 7.891 12.878 -0.778 1.00 0.00 O ATOM 591 CB LYS A 35 10.595 12.544 0.688 1.00 0.00 C ATOM 592 CG LYS A 35 10.985 12.938 -0.760 1.00 0.00 C ATOM 593 CD LYS A 35 12.294 12.255 -1.233 1.00 0.00 C ATOM 594 CE LYS A 35 13.512 12.645 -0.378 1.00 0.00 C ATOM 595 NZ LYS A 35 14.709 11.843 -0.726 1.00 0.00 N ATOM 0 H LYS A 35 9.881 12.156 2.983 1.00 0.00 H new ATOM 0 HA LYS A 35 9.216 14.193 1.091 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.392 12.870 1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.554 11.456 0.747 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.174 12.668 -1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.103 14.020 -0.819 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.166 11.173 -1.202 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.484 12.524 -2.272 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.731 13.704 -0.518 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.275 12.506 0.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.508 12.135 -0.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.509 10.835 -0.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.950 11.996 -1.726 1.00 0.00 H new ATOM 609 N GLU A 36 7.184 11.746 1.064 1.00 0.00 N ATOM 610 CA GLU A 36 5.983 11.145 0.432 1.00 0.00 C ATOM 611 C GLU A 36 5.016 12.240 -0.073 1.00 0.00 C ATOM 612 O GLU A 36 4.236 12.003 -0.999 1.00 0.00 O ATOM 613 CB GLU A 36 5.241 10.188 1.419 1.00 0.00 C ATOM 614 CG GLU A 36 6.150 9.323 2.327 1.00 0.00 C ATOM 615 CD GLU A 36 7.289 8.612 1.579 1.00 0.00 C ATOM 616 OE1 GLU A 36 7.018 7.621 0.867 1.00 0.00 O ATOM 617 OE2 GLU A 36 8.461 9.047 1.691 1.00 0.00 O ATOM 0 H GLU A 36 7.298 11.492 2.045 1.00 0.00 H new ATOM 0 HA GLU A 36 6.324 10.560 -0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.588 10.786 2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.600 9.524 0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.579 9.957 3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.537 8.575 2.830 1.00 0.00 H new ATOM 624 N LEU A 37 5.088 13.431 0.555 1.00 0.00 N ATOM 625 CA LEU A 37 4.319 14.618 0.144 1.00 0.00 C ATOM 626 C LEU A 37 4.759 15.107 -1.255 1.00 0.00 C ATOM 627 O LEU A 37 5.728 15.863 -1.381 1.00 0.00 O ATOM 628 CB LEU A 37 4.441 15.757 1.222 1.00 0.00 C ATOM 629 CG LEU A 37 3.152 16.082 2.042 1.00 0.00 C ATOM 630 CD1 LEU A 37 2.032 16.606 1.132 1.00 0.00 C ATOM 631 CD2 LEU A 37 2.687 14.869 2.869 1.00 0.00 C ATOM 0 H LEU A 37 5.685 13.595 1.366 1.00 0.00 H new ATOM 0 HA LEU A 37 3.268 14.339 0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.230 15.481 1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.765 16.669 0.720 1.00 0.00 H new ATOM 0 HG LEU A 37 3.402 16.876 2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.148 16.823 1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.365 17.516 0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.787 15.851 0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.788 15.132 3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.469 14.035 2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.474 14.580 3.565 1.00 0.00 H new ATOM 643 N LYS A 38 4.062 14.638 -2.310 1.00 0.00 N ATOM 644 CA LYS A 38 4.284 15.127 -3.685 1.00 0.00 C ATOM 645 C LYS A 38 3.034 15.891 -4.176 1.00 0.00 C ATOM 646 O LYS A 38 1.906 15.543 -3.786 1.00 0.00 O ATOM 647 CB LYS A 38 4.695 13.947 -4.644 1.00 0.00 C ATOM 648 CG LYS A 38 3.607 12.905 -5.026 1.00 0.00 C ATOM 649 CD LYS A 38 2.720 13.308 -6.238 1.00 0.00 C ATOM 650 CE LYS A 38 3.525 13.559 -7.525 1.00 0.00 C ATOM 651 NZ LYS A 38 2.646 13.867 -8.684 1.00 0.00 N ATOM 0 H LYS A 38 3.340 13.921 -2.235 1.00 0.00 H new ATOM 0 HA LYS A 38 5.119 15.828 -3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.077 14.384 -5.566 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.522 13.411 -4.179 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.094 11.956 -5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.964 12.738 -4.162 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.990 12.520 -6.423 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.161 14.209 -5.986 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.216 14.387 -7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.128 12.680 -7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.206 13.845 -9.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.886 13.159 -8.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.230 14.812 -8.563 1.00 0.00 H new ATOM 665 N PRO A 39 3.208 16.920 -5.067 1.00 0.00 N ATOM 666 CA PRO A 39 2.077 17.648 -5.667 1.00 0.00 C ATOM 667 C PRO A 39 1.339 16.773 -6.713 1.00 0.00 C ATOM 668 O PRO A 39 1.815 16.580 -7.839 1.00 0.00 O ATOM 669 CB PRO A 39 2.739 18.896 -6.299 1.00 0.00 C ATOM 670 CG PRO A 39 4.154 18.494 -6.579 1.00 0.00 C ATOM 671 CD PRO A 39 4.517 17.432 -5.560 1.00 0.00 C ATOM 0 HA PRO A 39 1.307 17.918 -4.944 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.226 19.192 -7.214 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.699 19.748 -5.621 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.252 18.107 -7.593 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.823 19.351 -6.499 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.109 16.636 -6.011 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.111 17.850 -4.747 1.00 0.00 H new ATOM 679 N GLY A 40 0.217 16.187 -6.275 1.00 0.00 N ATOM 680 CA GLY A 40 -0.585 15.266 -7.090 1.00 0.00 C ATOM 681 C GLY A 40 -1.276 14.184 -6.261 1.00 0.00 C ATOM 682 O GLY A 40 -2.023 13.361 -6.806 1.00 0.00 O ATOM 0 H GLY A 40 -0.162 16.340 -5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.338 15.834 -7.636 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.058 14.793 -7.832 1.00 0.00 H new ATOM 686 N MET A 41 -1.032 14.185 -4.937 1.00 0.00 N ATOM 687 CA MET A 41 -1.665 13.239 -3.997 1.00 0.00 C ATOM 688 C MET A 41 -3.070 13.719 -3.566 1.00 0.00 C ATOM 689 O MET A 41 -3.637 14.657 -4.140 1.00 0.00 O ATOM 690 CB MET A 41 -0.763 13.037 -2.742 1.00 0.00 C ATOM 691 CG MET A 41 0.588 12.354 -2.992 1.00 0.00 C ATOM 692 SD MET A 41 1.274 11.581 -1.505 1.00 0.00 S ATOM 693 CE MET A 41 1.118 12.880 -0.278 1.00 0.00 C ATOM 0 H MET A 41 -0.392 14.840 -4.489 1.00 0.00 H new ATOM 0 HA MET A 41 -1.779 12.287 -4.515 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.578 14.012 -2.291 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.317 12.448 -2.011 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.468 11.597 -3.767 1.00 0.00 H new ATOM 0 HG3 MET A 41 1.296 13.090 -3.372 1.00 0.00 H new ATOM 0 HE1 MET A 41 1.849 12.721 0.515 1.00 0.00 H new ATOM 0 HE2 MET A 41 1.296 13.847 -0.748 1.00 0.00 H new ATOM 0 HE3 MET A 41 0.114 12.862 0.146 1.00 0.00 H new ATOM 703 N LYS A 42 -3.629 13.019 -2.561 1.00 0.00 N ATOM 704 CA LYS A 42 -4.871 13.402 -1.866 1.00 0.00 C ATOM 705 C LYS A 42 -4.582 13.720 -0.396 1.00 0.00 C ATOM 706 O LYS A 42 -3.555 13.333 0.138 1.00 0.00 O ATOM 707 CB LYS A 42 -5.950 12.284 -1.962 1.00 0.00 C ATOM 708 CG LYS A 42 -5.447 10.844 -1.740 1.00 0.00 C ATOM 709 CD LYS A 42 -6.591 9.805 -1.665 1.00 0.00 C ATOM 710 CE LYS A 42 -7.593 9.925 -2.829 1.00 0.00 C ATOM 711 NZ LYS A 42 -8.640 8.879 -2.766 1.00 0.00 N ATOM 0 H LYS A 42 -3.222 12.155 -2.203 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.262 14.292 -2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.729 12.493 -1.229 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.415 12.338 -2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.771 10.573 -2.551 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.869 10.806 -0.817 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.164 8.802 -1.663 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.123 9.927 -0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.061 10.909 -2.805 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.060 9.848 -3.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.294 8.994 -3.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.196 7.940 -2.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.166 8.968 -1.873 1.00 0.00 H new ATOM 725 N PHE A 43 -5.514 14.414 0.253 1.00 0.00 N ATOM 726 CA PHE A 43 -5.427 14.737 1.682 1.00 0.00 C ATOM 727 C PHE A 43 -6.791 14.463 2.308 1.00 0.00 C ATOM 728 O PHE A 43 -7.717 15.263 2.155 1.00 0.00 O ATOM 729 CB PHE A 43 -5.015 16.215 1.890 1.00 0.00 C ATOM 730 CG PHE A 43 -4.417 16.577 3.258 1.00 0.00 C ATOM 731 CD1 PHE A 43 -5.022 16.182 4.452 1.00 0.00 C ATOM 732 CD2 PHE A 43 -3.256 17.350 3.341 1.00 0.00 C ATOM 733 CE1 PHE A 43 -4.489 16.544 5.670 1.00 0.00 C ATOM 734 CE2 PHE A 43 -2.724 17.704 4.561 1.00 0.00 C ATOM 735 CZ PHE A 43 -3.343 17.304 5.723 1.00 0.00 C ATOM 0 H PHE A 43 -6.357 14.772 -0.197 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.664 14.121 2.158 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.289 16.478 1.121 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -5.893 16.840 1.726 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.921 15.584 4.421 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.768 17.675 2.434 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.971 16.231 6.584 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.821 18.295 4.606 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.928 17.587 6.679 1.00 0.00 H new ATOM 745 N VAL A 44 -6.913 13.324 2.982 1.00 0.00 N ATOM 746 CA VAL A 44 -8.144 12.950 3.659 1.00 0.00 C ATOM 747 C VAL A 44 -8.184 13.610 5.044 1.00 0.00 C ATOM 748 O VAL A 44 -7.295 13.415 5.878 1.00 0.00 O ATOM 749 CB VAL A 44 -8.290 11.397 3.752 1.00 0.00 C ATOM 750 CG1 VAL A 44 -9.608 11.001 4.453 1.00 0.00 C ATOM 751 CG2 VAL A 44 -8.194 10.768 2.338 1.00 0.00 C ATOM 0 H VAL A 44 -6.163 12.639 3.073 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.994 13.308 3.079 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.472 11.008 4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.681 9.915 4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.621 11.412 5.462 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.453 11.396 3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.297 9.686 2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.990 11.165 1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.227 11.011 1.897 1.00 0.00 H new ATOM 761 N PHE A 45 -9.199 14.437 5.257 1.00 0.00 N ATOM 762 CA PHE A 45 -9.408 15.119 6.529 1.00 0.00 C ATOM 763 C PHE A 45 -10.198 14.193 7.452 1.00 0.00 C ATOM 764 O PHE A 45 -11.343 13.829 7.149 1.00 0.00 O ATOM 765 CB PHE A 45 -10.145 16.461 6.297 1.00 0.00 C ATOM 766 CG PHE A 45 -9.483 17.309 5.216 1.00 0.00 C ATOM 767 CD1 PHE A 45 -8.201 17.813 5.399 1.00 0.00 C ATOM 768 CD2 PHE A 45 -10.120 17.564 4.007 1.00 0.00 C ATOM 769 CE1 PHE A 45 -7.579 18.546 4.412 1.00 0.00 C ATOM 770 CE2 PHE A 45 -9.497 18.292 3.025 1.00 0.00 C ATOM 771 CZ PHE A 45 -8.227 18.784 3.225 1.00 0.00 C ATOM 0 H PHE A 45 -9.903 14.655 4.551 1.00 0.00 H new ATOM 0 HA PHE A 45 -8.452 15.352 6.999 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -11.179 16.261 6.015 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -10.172 17.023 7.230 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.684 17.627 6.329 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -11.117 17.185 3.839 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.583 18.933 4.572 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -10.005 18.480 2.091 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.741 19.357 2.449 1.00 0.00 H new ATOM 781 N TYR A 46 -9.541 13.750 8.531 1.00 0.00 N ATOM 782 CA TYR A 46 -10.185 13.002 9.607 1.00 0.00 C ATOM 783 C TYR A 46 -11.073 13.965 10.414 1.00 0.00 C ATOM 784 O TYR A 46 -10.753 15.151 10.561 1.00 0.00 O ATOM 785 CB TYR A 46 -9.116 12.299 10.496 1.00 0.00 C ATOM 786 CG TYR A 46 -9.688 11.508 11.687 1.00 0.00 C ATOM 787 CD1 TYR A 46 -10.176 10.208 11.527 1.00 0.00 C ATOM 788 CD2 TYR A 46 -9.778 12.082 12.961 1.00 0.00 C ATOM 789 CE1 TYR A 46 -10.735 9.521 12.588 1.00 0.00 C ATOM 790 CE2 TYR A 46 -10.329 11.391 14.022 1.00 0.00 C ATOM 791 CZ TYR A 46 -10.810 10.116 13.830 1.00 0.00 C ATOM 792 OH TYR A 46 -11.385 9.437 14.883 1.00 0.00 O ATOM 0 H TYR A 46 -8.543 13.903 8.679 1.00 0.00 H new ATOM 0 HA TYR A 46 -10.816 12.214 9.196 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.534 11.620 9.872 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.426 13.053 10.876 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.115 9.733 10.559 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.409 13.085 13.117 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -11.113 8.519 12.445 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -10.382 11.849 14.998 1.00 0.00 H new ATOM 0 HH TYR A 46 -11.357 9.996 15.687 1.00 0.00 H new ATOM 896 N PHE A 54 -13.396 10.484 9.926 1.00 0.00 N ATOM 897 CA PHE A 54 -13.363 11.127 8.590 1.00 0.00 C ATOM 898 C PHE A 54 -14.534 12.108 8.347 1.00 0.00 C ATOM 899 O PHE A 54 -15.673 11.854 8.722 1.00 0.00 O ATOM 900 CB PHE A 54 -13.255 10.081 7.453 1.00 0.00 C ATOM 901 CG PHE A 54 -11.968 9.247 7.488 1.00 0.00 C ATOM 902 CD1 PHE A 54 -10.719 9.859 7.639 1.00 0.00 C ATOM 903 CD2 PHE A 54 -12.000 7.862 7.358 1.00 0.00 C ATOM 904 CE1 PHE A 54 -9.554 9.111 7.661 1.00 0.00 C ATOM 905 CE2 PHE A 54 -10.836 7.120 7.372 1.00 0.00 C ATOM 906 CZ PHE A 54 -9.615 7.741 7.526 1.00 0.00 C ATOM 0 HA PHE A 54 -12.457 11.733 8.578 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -14.112 9.409 7.509 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.316 10.595 6.494 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -10.663 10.933 7.740 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.950 7.360 7.244 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.599 9.600 7.784 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -10.882 6.047 7.262 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.708 7.155 7.541 1.00 0.00 H new ATOM 916 N VAL A 55 -14.216 13.246 7.711 1.00 0.00 N ATOM 917 CA VAL A 55 -15.179 14.335 7.430 1.00 0.00 C ATOM 918 C VAL A 55 -15.179 14.670 5.929 1.00 0.00 C ATOM 919 O VAL A 55 -16.213 15.042 5.361 1.00 0.00 O ATOM 920 CB VAL A 55 -14.868 15.602 8.319 1.00 0.00 C ATOM 921 CG1 VAL A 55 -13.390 16.040 8.223 1.00 0.00 C ATOM 922 CG2 VAL A 55 -15.812 16.780 8.009 1.00 0.00 C ATOM 0 H VAL A 55 -13.275 13.443 7.372 1.00 0.00 H new ATOM 0 HA VAL A 55 -16.181 13.998 7.694 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.052 15.296 9.349 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.228 16.915 8.853 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.747 15.227 8.560 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -13.150 16.288 7.189 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.558 17.627 8.646 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.704 17.067 6.963 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.843 16.480 8.198 1.00 0.00 H new ATOM 932 N GLY A 56 -14.015 14.505 5.290 1.00 0.00 N ATOM 933 CA GLY A 56 -13.875 14.722 3.852 1.00 0.00 C ATOM 934 C GLY A 56 -12.478 14.398 3.358 1.00 0.00 C ATOM 935 O GLY A 56 -11.690 13.771 4.074 1.00 0.00 O ATOM 0 H GLY A 56 -13.152 14.220 5.754 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.599 14.104 3.321 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.110 15.760 3.618 1.00 0.00 H new ATOM 939 N GLU A 57 -12.185 14.808 2.122 1.00 0.00 N ATOM 940 CA GLU A 57 -10.862 14.651 1.498 1.00 0.00 C ATOM 941 C GLU A 57 -10.597 15.837 0.569 1.00 0.00 C ATOM 942 O GLU A 57 -11.437 16.721 0.436 1.00 0.00 O ATOM 943 CB GLU A 57 -10.738 13.301 0.736 1.00 0.00 C ATOM 944 CG GLU A 57 -11.631 13.141 -0.507 1.00 0.00 C ATOM 945 CD GLU A 57 -11.429 11.782 -1.202 1.00 0.00 C ATOM 946 OE1 GLU A 57 -10.451 11.626 -1.957 1.00 0.00 O ATOM 947 OE2 GLU A 57 -12.226 10.854 -0.981 1.00 0.00 O ATOM 0 H GLU A 57 -12.866 15.265 1.516 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.107 14.635 2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.699 13.173 0.431 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.968 12.493 1.430 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.676 13.246 -0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.414 13.943 -1.213 1.00 0.00 H new ATOM 954 N ALA A 58 -9.407 15.853 -0.031 1.00 0.00 N ATOM 955 CA ALA A 58 -8.972 16.886 -0.991 1.00 0.00 C ATOM 956 C ALA A 58 -7.811 16.350 -1.817 1.00 0.00 C ATOM 957 O ALA A 58 -7.496 15.167 -1.740 1.00 0.00 O ATOM 958 CB ALA A 58 -8.570 18.169 -0.267 1.00 0.00 C ATOM 0 H ALA A 58 -8.699 15.137 0.135 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.804 17.127 -1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -8.253 18.914 -0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.421 18.551 0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.748 17.959 0.417 1.00 0.00 H new ATOM 964 N ARG A 59 -7.192 17.213 -2.630 1.00 0.00 N ATOM 965 CA ARG A 59 -6.060 16.853 -3.486 1.00 0.00 C ATOM 966 C ARG A 59 -4.872 17.758 -3.178 1.00 0.00 C ATOM 967 O ARG A 59 -4.971 18.982 -3.300 1.00 0.00 O ATOM 968 CB ARG A 59 -6.463 16.942 -4.976 1.00 0.00 C ATOM 969 CG ARG A 59 -7.543 15.920 -5.380 1.00 0.00 C ATOM 970 CD ARG A 59 -7.066 14.463 -5.253 1.00 0.00 C ATOM 971 NE ARG A 59 -8.150 13.499 -5.502 1.00 0.00 N ATOM 972 CZ ARG A 59 -9.051 13.095 -4.593 1.00 0.00 C ATOM 973 NH1 ARG A 59 -9.057 13.607 -3.370 1.00 0.00 N ATOM 974 NH2 ARG A 59 -9.961 12.194 -4.911 1.00 0.00 N ATOM 0 H ARG A 59 -7.467 18.192 -2.712 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.767 15.823 -3.283 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.828 17.947 -5.187 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.578 16.788 -5.594 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.424 16.064 -4.755 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.848 16.109 -6.409 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.255 14.285 -5.959 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.660 14.301 -4.254 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.222 13.106 -6.441 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.372 14.316 -3.111 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.747 13.291 -2.688 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.982 11.801 -5.852 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.643 11.891 -4.216 1.00 0.00 H new ATOM 988 N ILE A 60 -3.779 17.128 -2.735 1.00 0.00 N ATOM 989 CA ILE A 60 -2.501 17.792 -2.496 1.00 0.00 C ATOM 990 C ILE A 60 -1.879 18.199 -3.828 1.00 0.00 C ATOM 991 O ILE A 60 -1.766 17.391 -4.751 1.00 0.00 O ATOM 992 CB ILE A 60 -1.528 16.858 -1.692 1.00 0.00 C ATOM 993 CG1 ILE A 60 -1.988 16.754 -0.204 1.00 0.00 C ATOM 994 CG2 ILE A 60 -0.045 17.316 -1.803 1.00 0.00 C ATOM 995 CD1 ILE A 60 -1.424 15.565 0.553 1.00 0.00 C ATOM 0 H ILE A 60 -3.761 16.129 -2.531 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.675 18.686 -1.897 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.575 15.865 -2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.700 17.668 0.316 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.076 16.701 -0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.589 16.639 -1.230 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.262 17.304 -2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.054 18.327 -1.408 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.798 15.575 1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.733 14.642 0.063 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.336 15.623 0.564 1.00 0.00 H new ATOM 1007 N LYS A 61 -1.494 19.466 -3.888 1.00 0.00 N ATOM 1008 CA LYS A 61 -0.964 20.135 -5.068 1.00 0.00 C ATOM 1009 C LYS A 61 0.284 20.948 -4.657 1.00 0.00 C ATOM 1010 O LYS A 61 0.718 20.864 -3.489 1.00 0.00 O ATOM 1011 CB LYS A 61 -2.065 21.059 -5.672 1.00 0.00 C ATOM 1012 CG LYS A 61 -3.369 20.347 -6.075 1.00 0.00 C ATOM 1013 CD LYS A 61 -3.173 19.218 -7.117 1.00 0.00 C ATOM 1014 CE LYS A 61 -2.658 19.719 -8.473 1.00 0.00 C ATOM 1015 NZ LYS A 61 -3.601 20.670 -9.122 1.00 0.00 N ATOM 0 H LYS A 61 -1.545 20.084 -3.078 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.675 19.408 -5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.304 21.836 -4.946 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.656 21.558 -6.550 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.833 19.927 -5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.064 21.084 -6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.471 18.485 -6.719 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.122 18.703 -7.266 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.693 20.206 -8.334 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.493 18.867 -9.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.186 21.019 -10.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.498 20.185 -9.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.779 21.472 -8.484 1.00 0.00 H new ATOM 1029 N ARG A 62 0.799 21.754 -5.618 1.00 0.00 N ATOM 1030 CA ARG A 62 2.096 22.489 -5.541 1.00 0.00 C ATOM 1031 C ARG A 62 2.490 22.946 -4.109 1.00 0.00 C ATOM 1032 O ARG A 62 1.848 23.815 -3.509 1.00 0.00 O ATOM 1033 CB ARG A 62 2.030 23.699 -6.527 1.00 0.00 C ATOM 1034 CG ARG A 62 0.846 24.661 -6.269 1.00 0.00 C ATOM 1035 CD ARG A 62 0.719 25.778 -7.316 1.00 0.00 C ATOM 1036 NE ARG A 62 -0.325 26.748 -6.939 1.00 0.00 N ATOM 1037 CZ ARG A 62 -1.549 26.843 -7.488 1.00 0.00 C ATOM 1038 NH1 ARG A 62 -1.945 25.985 -8.421 1.00 0.00 N ATOM 1039 NH2 ARG A 62 -2.375 27.780 -7.068 1.00 0.00 N ATOM 0 H ARG A 62 0.311 21.919 -6.498 1.00 0.00 H new ATOM 0 HA ARG A 62 2.887 21.796 -5.828 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.962 24.261 -6.459 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.960 23.320 -7.546 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.080 24.086 -6.249 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.963 25.111 -5.283 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.675 26.291 -7.421 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.482 25.344 -8.287 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.098 27.407 -6.194 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.318 25.242 -8.730 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.876 26.069 -8.829 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.084 28.425 -6.333 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.306 27.861 -7.478 1.00 0.00 H new ATOM 1053 N VAL A 63 3.545 22.311 -3.562 1.00 0.00 N ATOM 1054 CA VAL A 63 4.032 22.609 -2.211 1.00 0.00 C ATOM 1055 C VAL A 63 5.104 23.727 -2.291 1.00 0.00 C ATOM 1056 O VAL A 63 6.135 23.584 -2.966 1.00 0.00 O ATOM 1057 CB VAL A 63 4.552 21.308 -1.463 1.00 0.00 C ATOM 1058 CG1 VAL A 63 3.402 20.271 -1.293 1.00 0.00 C ATOM 1059 CG2 VAL A 63 5.774 20.662 -2.173 1.00 0.00 C ATOM 0 H VAL A 63 4.076 21.585 -4.043 1.00 0.00 H new ATOM 0 HA VAL A 63 3.203 22.973 -1.605 1.00 0.00 H new ATOM 0 HB VAL A 63 4.889 21.624 -0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.781 19.388 -0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.596 20.714 -0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.023 19.984 -2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.089 19.777 -1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.496 20.377 -3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.595 21.379 -2.209 1.00 0.00 H new ATOM 1069 N VAL A 64 4.807 24.873 -1.652 1.00 0.00 N ATOM 1070 CA VAL A 64 5.679 26.058 -1.672 1.00 0.00 C ATOM 1071 C VAL A 64 6.646 25.969 -0.485 1.00 0.00 C ATOM 1072 O VAL A 64 6.236 26.105 0.670 1.00 0.00 O ATOM 1073 CB VAL A 64 4.827 27.383 -1.593 1.00 0.00 C ATOM 1074 CG1 VAL A 64 5.717 28.656 -1.599 1.00 0.00 C ATOM 1075 CG2 VAL A 64 3.768 27.430 -2.721 1.00 0.00 C ATOM 0 H VAL A 64 3.954 25.002 -1.107 1.00 0.00 H new ATOM 0 HA VAL A 64 6.239 26.084 -2.607 1.00 0.00 H new ATOM 0 HB VAL A 64 4.303 27.371 -0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.085 29.542 -1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.388 28.635 -0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.303 28.686 -2.517 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.195 28.354 -2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.266 27.393 -3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.096 26.577 -2.625 1.00 0.00 H new ATOM 1085 N LEU A 65 7.925 25.711 -0.780 1.00 0.00 N ATOM 1086 CA LEU A 65 8.965 25.569 0.243 1.00 0.00 C ATOM 1087 C LEU A 65 9.531 26.958 0.583 1.00 0.00 C ATOM 1088 O LEU A 65 10.056 27.645 -0.299 1.00 0.00 O ATOM 1089 CB LEU A 65 10.101 24.630 -0.257 1.00 0.00 C ATOM 1090 CG LEU A 65 9.665 23.215 -0.766 1.00 0.00 C ATOM 1091 CD1 LEU A 65 10.868 22.412 -1.316 1.00 0.00 C ATOM 1092 CD2 LEU A 65 8.915 22.427 0.326 1.00 0.00 C ATOM 0 H LEU A 65 8.267 25.595 -1.734 1.00 0.00 H new ATOM 0 HA LEU A 65 8.530 25.124 1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.630 25.135 -1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.815 24.495 0.556 1.00 0.00 H new ATOM 0 HG LEU A 65 8.971 23.369 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.527 21.436 -1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.317 22.954 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.609 22.280 -0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.628 21.450 -0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.565 22.296 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.022 22.977 0.623 1.00 0.00 H new ATOM 1104 N SER A 66 9.390 27.368 1.849 1.00 0.00 N ATOM 1105 CA SER A 66 9.972 28.613 2.378 1.00 0.00 C ATOM 1106 C SER A 66 10.225 28.470 3.880 1.00 0.00 C ATOM 1107 O SER A 66 9.348 28.018 4.619 1.00 0.00 O ATOM 1108 CB SER A 66 9.054 29.826 2.121 1.00 0.00 C ATOM 1109 OG SER A 66 9.629 31.017 2.643 1.00 0.00 O ATOM 0 H SER A 66 8.863 26.841 2.545 1.00 0.00 H new ATOM 0 HA SER A 66 10.914 28.787 1.857 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.884 29.938 1.050 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.081 29.655 2.582 1.00 0.00 H new ATOM 0 HG SER A 66 9.510 31.747 2.000 1.00 0.00 H new ATOM 1115 N GLU A 67 11.415 28.895 4.330 1.00 0.00 N ATOM 1116 CA GLU A 67 11.761 28.933 5.760 1.00 0.00 C ATOM 1117 C GLU A 67 10.949 30.014 6.511 1.00 0.00 C ATOM 1118 O GLU A 67 10.968 30.062 7.747 1.00 0.00 O ATOM 1119 CB GLU A 67 13.282 29.166 5.937 1.00 0.00 C ATOM 1120 CG GLU A 67 14.166 27.998 5.473 1.00 0.00 C ATOM 1121 CD GLU A 67 15.671 28.247 5.673 1.00 0.00 C ATOM 1122 OE1 GLU A 67 16.202 29.228 5.108 1.00 0.00 O ATOM 1123 OE2 GLU A 67 16.322 27.480 6.420 1.00 0.00 O ATOM 0 H GLU A 67 12.162 29.221 3.717 1.00 0.00 H new ATOM 0 HA GLU A 67 11.501 27.968 6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.566 30.061 5.384 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.486 29.363 6.989 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.880 27.098 6.017 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.975 27.806 4.417 1.00 0.00 H new ATOM 1130 N ASN A 68 10.264 30.899 5.754 1.00 0.00 N ATOM 1131 CA ASN A 68 9.328 31.880 6.318 1.00 0.00 C ATOM 1132 C ASN A 68 7.885 31.386 6.065 1.00 0.00 C ATOM 1133 O ASN A 68 7.465 31.277 4.903 1.00 0.00 O ATOM 1134 CB ASN A 68 9.511 33.278 5.661 1.00 0.00 C ATOM 1135 CG ASN A 68 10.971 33.713 5.539 1.00 0.00 C ATOM 1136 OD1 ASN A 68 11.544 34.274 6.468 1.00 0.00 O ATOM 1137 ND2 ASN A 68 11.576 33.459 4.385 1.00 0.00 N ATOM 0 H ASN A 68 10.348 30.949 4.739 1.00 0.00 H new ATOM 0 HA ASN A 68 9.524 31.978 7.386 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.061 33.265 4.668 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.968 34.019 6.247 1.00 0.00 H new ATOM 0 HD21 ASN A 68 12.549 33.732 4.248 1.00 0.00 H new ATOM 0 HD22 ASN A 68 11.068 32.991 3.635 1.00 0.00 H new ATOM 1144 N PRO A 69 7.089 31.103 7.135 1.00 0.00 N ATOM 1145 CA PRO A 69 5.647 30.807 6.990 1.00 0.00 C ATOM 1146 C PRO A 69 4.802 32.070 6.679 1.00 0.00 C ATOM 1147 O PRO A 69 3.624 31.959 6.314 1.00 0.00 O ATOM 1148 CB PRO A 69 5.275 30.175 8.350 1.00 0.00 C ATOM 1149 CG PRO A 69 6.262 30.755 9.321 1.00 0.00 C ATOM 1150 CD PRO A 69 7.541 30.966 8.543 1.00 0.00 C ATOM 0 HA PRO A 69 5.441 30.150 6.145 1.00 0.00 H new ATOM 0 HB2 PRO A 69 4.251 30.418 8.633 1.00 0.00 H new ATOM 0 HB3 PRO A 69 5.346 29.088 8.314 1.00 0.00 H new ATOM 0 HG2 PRO A 69 5.897 31.696 9.733 1.00 0.00 H new ATOM 0 HG3 PRO A 69 6.424 30.080 10.162 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.071 31.857 8.880 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.224 30.125 8.663 1.00 0.00 H new ATOM 1158 N MET A 70 5.426 33.265 6.793 1.00 0.00 N ATOM 1159 CA MET A 70 4.753 34.559 6.552 1.00 0.00 C ATOM 1160 C MET A 70 4.631 34.845 5.048 1.00 0.00 C ATOM 1161 O MET A 70 3.721 35.570 4.616 1.00 0.00 O ATOM 1162 CB MET A 70 5.488 35.723 7.273 1.00 0.00 C ATOM 1163 CG MET A 70 5.480 35.631 8.813 1.00 0.00 C ATOM 1164 SD MET A 70 6.480 34.272 9.463 1.00 0.00 S ATOM 1165 CE MET A 70 8.134 34.749 8.956 1.00 0.00 C ATOM 0 H MET A 70 6.408 33.358 7.054 1.00 0.00 H new ATOM 0 HA MET A 70 3.748 34.488 6.969 1.00 0.00 H new ATOM 0 HB2 MET A 70 6.522 35.751 6.929 1.00 0.00 H new ATOM 0 HB3 MET A 70 5.028 36.665 6.976 1.00 0.00 H new ATOM 0 HG2 MET A 70 5.846 36.571 9.227 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.452 35.511 9.156 1.00 0.00 H new ATOM 0 HE1 MET A 70 8.546 33.987 8.295 1.00 0.00 H new ATOM 0 HE2 MET A 70 8.092 35.702 8.429 1.00 0.00 H new ATOM 0 HE3 MET A 70 8.770 34.848 9.836 1.00 0.00 H new ATOM 1175 N GLN A 71 5.542 34.244 4.247 1.00 0.00 N ATOM 1176 CA GLN A 71 5.499 34.359 2.776 1.00 0.00 C ATOM 1177 C GLN A 71 4.279 33.609 2.207 1.00 0.00 C ATOM 1178 O GLN A 71 3.811 33.911 1.106 1.00 0.00 O ATOM 1179 CB GLN A 71 6.815 33.861 2.112 1.00 0.00 C ATOM 1180 CG GLN A 71 8.076 34.641 2.548 1.00 0.00 C ATOM 1181 CD GLN A 71 9.332 34.355 1.709 1.00 0.00 C ATOM 1182 OE1 GLN A 71 9.491 33.282 1.129 1.00 0.00 O ATOM 1183 NE2 GLN A 71 10.255 35.308 1.673 1.00 0.00 N ATOM 0 H GLN A 71 6.313 33.676 4.597 1.00 0.00 H new ATOM 0 HA GLN A 71 5.399 35.418 2.536 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.953 32.806 2.350 1.00 0.00 H new ATOM 0 HB3 GLN A 71 6.713 33.933 1.029 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.860 35.708 2.501 1.00 0.00 H new ATOM 0 HG3 GLN A 71 8.290 34.404 3.590 1.00 0.00 H new ATOM 0 HE21 GLN A 71 10.098 36.189 2.163 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.121 35.160 1.155 1.00 0.00 H new ATOM 1192 N PHE A 72 3.752 32.647 2.981 1.00 0.00 N ATOM 1193 CA PHE A 72 2.536 31.909 2.618 1.00 0.00 C ATOM 1194 C PHE A 72 1.283 32.779 2.834 1.00 0.00 C ATOM 1195 O PHE A 72 0.252 32.534 2.219 1.00 0.00 O ATOM 1196 CB PHE A 72 2.432 30.600 3.444 1.00 0.00 C ATOM 1197 CG PHE A 72 3.661 29.690 3.382 1.00 0.00 C ATOM 1198 CD1 PHE A 72 4.489 29.649 2.257 1.00 0.00 C ATOM 1199 CD2 PHE A 72 3.976 28.858 4.451 1.00 0.00 C ATOM 1200 CE1 PHE A 72 5.585 28.811 2.216 1.00 0.00 C ATOM 1201 CE2 PHE A 72 5.069 28.023 4.405 1.00 0.00 C ATOM 1202 CZ PHE A 72 5.875 27.999 3.289 1.00 0.00 C ATOM 0 H PHE A 72 4.157 32.361 3.873 1.00 0.00 H new ATOM 0 HA PHE A 72 2.596 31.652 1.560 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.245 30.861 4.486 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.566 30.038 3.096 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.269 30.281 1.409 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.352 28.867 5.332 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.216 28.792 1.340 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.295 27.385 5.246 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.733 27.344 3.256 1.00 0.00 H new ATOM 1212 N PHE A 73 1.377 33.793 3.721 1.00 0.00 N ATOM 1213 CA PHE A 73 0.246 34.702 4.012 1.00 0.00 C ATOM 1214 C PHE A 73 0.176 35.859 3.009 1.00 0.00 C ATOM 1215 O PHE A 73 -0.917 36.355 2.710 1.00 0.00 O ATOM 1216 CB PHE A 73 0.323 35.247 5.452 1.00 0.00 C ATOM 1217 CG PHE A 73 0.257 34.161 6.511 1.00 0.00 C ATOM 1218 CD1 PHE A 73 -0.770 33.218 6.508 1.00 0.00 C ATOM 1219 CD2 PHE A 73 1.219 34.077 7.503 1.00 0.00 C ATOM 1220 CE1 PHE A 73 -0.821 32.227 7.467 1.00 0.00 C ATOM 1221 CE2 PHE A 73 1.160 33.091 8.452 1.00 0.00 C ATOM 1222 CZ PHE A 73 0.143 32.164 8.438 1.00 0.00 C ATOM 0 H PHE A 73 2.224 34.003 4.248 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.667 34.115 3.913 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.251 35.806 5.572 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.495 35.950 5.611 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.534 33.264 5.746 1.00 0.00 H new ATOM 0 HD2 PHE A 73 2.024 34.796 7.529 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.621 31.501 7.452 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.919 33.041 9.219 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.105 31.390 9.190 1.00 0.00 H new ATOM 1232 N GLU A 74 1.336 36.311 2.508 1.00 0.00 N ATOM 1233 CA GLU A 74 1.370 37.351 1.457 1.00 0.00 C ATOM 1234 C GLU A 74 0.974 36.756 0.085 1.00 0.00 C ATOM 1235 O GLU A 74 0.395 37.451 -0.757 1.00 0.00 O ATOM 1236 CB GLU A 74 2.756 38.040 1.401 1.00 0.00 C ATOM 1237 CG GLU A 74 3.906 37.143 0.919 1.00 0.00 C ATOM 1238 CD GLU A 74 5.257 37.873 0.836 1.00 0.00 C ATOM 1239 OE1 GLU A 74 5.554 38.481 -0.222 1.00 0.00 O ATOM 1240 OE2 GLU A 74 6.033 37.832 1.814 1.00 0.00 O ATOM 0 H GLU A 74 2.254 35.981 2.806 1.00 0.00 H new ATOM 0 HA GLU A 74 0.637 38.117 1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.689 38.905 0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.999 38.415 2.395 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.002 36.293 1.595 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.657 36.742 -0.064 1.00 0.00 H new ATOM 1247 N THR A 75 1.290 35.459 -0.118 1.00 0.00 N ATOM 1248 CA THR A 75 0.926 34.723 -1.337 1.00 0.00 C ATOM 1249 C THR A 75 -0.554 34.280 -1.285 1.00 0.00 C ATOM 1250 O THR A 75 -1.358 34.653 -2.150 1.00 0.00 O ATOM 1251 CB THR A 75 1.861 33.481 -1.532 1.00 0.00 C ATOM 1252 OG1 THR A 75 3.219 33.925 -1.692 1.00 0.00 O ATOM 1253 CG2 THR A 75 1.465 32.610 -2.740 1.00 0.00 C ATOM 0 H THR A 75 1.804 34.898 0.561 1.00 0.00 H new ATOM 0 HA THR A 75 1.056 35.390 -2.189 1.00 0.00 H new ATOM 0 HB THR A 75 1.756 32.861 -0.641 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.640 34.014 -0.811 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.151 31.767 -2.821 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.449 32.240 -2.604 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.515 33.207 -3.651 1.00 0.00 H new ATOM 1261 N PHE A 76 -0.901 33.499 -0.246 1.00 0.00 N ATOM 1262 CA PHE A 76 -2.245 32.912 -0.079 1.00 0.00 C ATOM 1263 C PHE A 76 -3.056 33.724 0.957 1.00 0.00 C ATOM 1264 O PHE A 76 -4.044 34.385 0.612 1.00 0.00 O ATOM 1265 CB PHE A 76 -2.138 31.429 0.371 1.00 0.00 C ATOM 1266 CG PHE A 76 -1.285 30.531 -0.520 1.00 0.00 C ATOM 1267 CD1 PHE A 76 -1.732 30.142 -1.782 1.00 0.00 C ATOM 1268 CD2 PHE A 76 -0.043 30.056 -0.084 1.00 0.00 C ATOM 1269 CE1 PHE A 76 -0.967 29.307 -2.578 1.00 0.00 C ATOM 1270 CE2 PHE A 76 0.722 29.225 -0.883 1.00 0.00 C ATOM 1271 CZ PHE A 76 0.261 28.852 -2.130 1.00 0.00 C ATOM 0 H PHE A 76 -0.255 33.256 0.505 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.761 32.948 -1.039 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.729 31.403 1.381 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.143 31.010 0.423 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.686 30.496 -2.143 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.324 30.342 0.891 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.329 29.010 -3.551 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.679 28.868 -0.532 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.858 28.205 -2.756 1.00 0.00 H new ATOM 1281 N GLY A 77 -2.617 33.661 2.235 1.00 0.00 N ATOM 1282 CA GLY A 77 -3.274 34.371 3.339 1.00 0.00 C ATOM 1283 C GLY A 77 -4.572 33.723 3.763 1.00 0.00 C ATOM 1284 O GLY A 77 -4.593 32.922 4.704 1.00 0.00 O ATOM 0 H GLY A 77 -1.802 33.118 2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.597 34.411 4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.469 35.400 3.038 1.00 0.00 H new ATOM 1288 N ASP A 78 -5.655 34.077 3.051 1.00 0.00 N ATOM 1289 CA ASP A 78 -6.993 33.491 3.261 1.00 0.00 C ATOM 1290 C ASP A 78 -6.948 31.971 3.060 1.00 0.00 C ATOM 1291 O ASP A 78 -7.477 31.217 3.874 1.00 0.00 O ATOM 1292 CB ASP A 78 -8.030 34.109 2.283 1.00 0.00 C ATOM 1293 CG ASP A 78 -9.422 33.424 2.354 1.00 0.00 C ATOM 1294 OD1 ASP A 78 -10.235 33.792 3.226 1.00 0.00 O ATOM 1295 OD2 ASP A 78 -9.707 32.510 1.536 1.00 0.00 O ATOM 0 H ASP A 78 -5.629 34.779 2.312 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.297 33.713 4.284 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.143 35.170 2.506 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.648 34.036 1.265 1.00 0.00 H new ATOM 1300 N ARG A 79 -6.295 31.554 1.960 1.00 0.00 N ATOM 1301 CA ARG A 79 -6.232 30.145 1.547 1.00 0.00 C ATOM 1302 C ARG A 79 -5.519 29.276 2.594 1.00 0.00 C ATOM 1303 O ARG A 79 -5.849 28.115 2.732 1.00 0.00 O ATOM 1304 CB ARG A 79 -5.544 30.003 0.164 1.00 0.00 C ATOM 1305 CG ARG A 79 -6.225 30.779 -0.982 1.00 0.00 C ATOM 1306 CD ARG A 79 -7.684 30.350 -1.216 1.00 0.00 C ATOM 1307 NE ARG A 79 -8.293 31.064 -2.357 1.00 0.00 N ATOM 1308 CZ ARG A 79 -9.443 31.759 -2.329 1.00 0.00 C ATOM 1309 NH1 ARG A 79 -10.145 31.882 -1.205 1.00 0.00 N ATOM 1310 NH2 ARG A 79 -9.869 32.347 -3.434 1.00 0.00 N ATOM 0 H ARG A 79 -5.797 32.187 1.334 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.258 29.787 1.463 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.512 30.343 0.251 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.510 28.946 -0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.197 31.845 -0.758 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.657 30.632 -1.901 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.722 29.276 -1.398 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.267 30.541 -0.315 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.796 31.026 -3.247 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.812 31.445 -0.346 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.016 32.413 -1.203 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.326 32.270 -4.294 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.740 32.877 -3.426 1.00 0.00 H new ATOM 1324 N VAL A 80 -4.557 29.853 3.345 1.00 0.00 N ATOM 1325 CA VAL A 80 -3.862 29.111 4.415 1.00 0.00 C ATOM 1326 C VAL A 80 -4.860 28.821 5.560 1.00 0.00 C ATOM 1327 O VAL A 80 -5.630 29.713 5.941 1.00 0.00 O ATOM 1328 CB VAL A 80 -2.607 29.878 4.964 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -1.814 29.014 5.972 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -1.694 30.362 3.818 1.00 0.00 C ATOM 0 H VAL A 80 -4.248 30.818 3.232 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.494 28.177 3.991 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.973 30.758 5.493 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.952 29.575 6.333 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.456 28.755 6.814 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.474 28.102 5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.835 30.889 4.235 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.349 29.504 3.241 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.252 31.035 3.168 1.00 0.00 H new ATOM 1340 N PHE A 81 -4.838 27.573 6.092 1.00 0.00 N ATOM 1341 CA PHE A 81 -5.842 27.078 7.061 1.00 0.00 C ATOM 1342 C PHE A 81 -5.936 27.954 8.318 1.00 0.00 C ATOM 1343 O PHE A 81 -6.996 28.060 8.930 1.00 0.00 O ATOM 1344 CB PHE A 81 -5.587 25.585 7.425 1.00 0.00 C ATOM 1345 CG PHE A 81 -4.395 25.264 8.337 1.00 0.00 C ATOM 1346 CD1 PHE A 81 -3.126 25.049 7.816 1.00 0.00 C ATOM 1347 CD2 PHE A 81 -4.560 25.128 9.716 1.00 0.00 C ATOM 1348 CE1 PHE A 81 -2.066 24.713 8.642 1.00 0.00 C ATOM 1349 CE2 PHE A 81 -3.496 24.804 10.538 1.00 0.00 C ATOM 1350 CZ PHE A 81 -2.250 24.594 10.000 1.00 0.00 C ATOM 0 H PHE A 81 -4.123 26.884 5.860 1.00 0.00 H new ATOM 0 HA PHE A 81 -6.811 27.144 6.567 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.487 25.198 7.902 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -5.456 25.031 6.495 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -2.963 25.145 6.753 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.538 25.279 10.150 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.088 24.543 8.217 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.645 24.716 11.604 1.00 0.00 H new ATOM 0 HZ PHE A 81 -1.419 24.337 10.640 1.00 0.00 H new ATOM 1360 N LEU A 82 -4.821 28.602 8.663 1.00 0.00 N ATOM 1361 CA LEU A 82 -4.741 29.539 9.791 1.00 0.00 C ATOM 1362 C LEU A 82 -4.240 30.902 9.282 1.00 0.00 C ATOM 1363 O LEU A 82 -3.589 30.966 8.236 1.00 0.00 O ATOM 1364 CB LEU A 82 -3.829 28.959 10.922 1.00 0.00 C ATOM 1365 CG LEU A 82 -2.268 29.043 10.776 1.00 0.00 C ATOM 1366 CD1 LEU A 82 -1.572 28.481 12.036 1.00 0.00 C ATOM 1367 CD2 LEU A 82 -1.748 28.334 9.513 1.00 0.00 C ATOM 0 H LEU A 82 -3.939 28.491 8.164 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.730 29.681 10.226 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.098 29.464 11.850 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.089 27.908 11.045 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.020 30.099 10.671 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.491 28.548 11.915 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.876 29.060 12.908 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.857 27.438 12.175 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.663 28.425 9.465 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.022 27.280 9.549 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.190 28.794 8.629 1.00 0.00 H new ATOM 1379 N THR A 83 -4.570 31.991 10.000 1.00 0.00 N ATOM 1380 CA THR A 83 -4.080 33.346 9.648 1.00 0.00 C ATOM 1381 C THR A 83 -2.760 33.627 10.401 1.00 0.00 C ATOM 1382 O THR A 83 -2.308 32.790 11.192 1.00 0.00 O ATOM 1383 CB THR A 83 -5.159 34.458 9.932 1.00 0.00 C ATOM 1384 OG1 THR A 83 -4.730 35.726 9.406 1.00 0.00 O ATOM 1385 CG2 THR A 83 -5.466 34.619 11.426 1.00 0.00 C ATOM 0 H THR A 83 -5.170 31.965 10.824 1.00 0.00 H new ATOM 0 HA THR A 83 -3.889 33.377 8.575 1.00 0.00 H new ATOM 0 HB THR A 83 -6.071 34.131 9.433 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.413 36.404 9.590 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.216 35.399 11.561 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.846 33.678 11.823 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.555 34.896 11.957 1.00 0.00 H new ATOM 1393 N LYS A 84 -2.138 34.798 10.147 1.00 0.00 N ATOM 1394 CA LYS A 84 -0.838 35.159 10.752 1.00 0.00 C ATOM 1395 C LYS A 84 -0.941 35.275 12.286 1.00 0.00 C ATOM 1396 O LYS A 84 -0.003 34.917 12.995 1.00 0.00 O ATOM 1397 CB LYS A 84 -0.291 36.466 10.126 1.00 0.00 C ATOM 1398 CG LYS A 84 1.140 36.860 10.579 1.00 0.00 C ATOM 1399 CD LYS A 84 1.682 38.105 9.837 1.00 0.00 C ATOM 1400 CE LYS A 84 1.825 37.878 8.321 1.00 0.00 C ATOM 1401 NZ LYS A 84 2.306 39.095 7.620 1.00 0.00 N ATOM 0 H LYS A 84 -2.517 35.512 9.525 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.133 34.356 10.536 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.297 36.362 9.041 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.971 37.281 10.372 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.136 37.055 11.651 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.814 36.020 10.410 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.013 38.947 10.013 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.652 38.377 10.253 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.520 37.057 8.141 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.863 37.577 7.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.389 38.899 6.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.631 39.872 7.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.236 39.368 7.997 1.00 0.00 H new ATOM 1415 N ASP A 85 -2.107 35.751 12.776 1.00 0.00 N ATOM 1416 CA ASP A 85 -2.419 35.815 14.227 1.00 0.00 C ATOM 1417 C ASP A 85 -2.415 34.404 14.850 1.00 0.00 C ATOM 1418 O ASP A 85 -1.846 34.187 15.928 1.00 0.00 O ATOM 1419 CB ASP A 85 -3.801 36.474 14.463 1.00 0.00 C ATOM 1420 CG ASP A 85 -3.928 37.891 13.878 1.00 0.00 C ATOM 1421 OD1 ASP A 85 -3.218 38.810 14.347 1.00 0.00 O ATOM 1422 OD2 ASP A 85 -4.724 38.090 12.932 1.00 0.00 O ATOM 0 H ASP A 85 -2.858 36.101 12.182 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.648 36.419 14.704 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.573 35.841 14.025 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.993 36.516 15.535 1.00 0.00 H new ATOM 1427 N GLU A 86 -3.047 33.455 14.147 1.00 0.00 N ATOM 1428 CA GLU A 86 -3.115 32.044 14.574 1.00 0.00 C ATOM 1429 C GLU A 86 -1.720 31.383 14.555 1.00 0.00 C ATOM 1430 O GLU A 86 -1.412 30.538 15.405 1.00 0.00 O ATOM 1431 CB GLU A 86 -4.080 31.247 13.674 1.00 0.00 C ATOM 1432 CG GLU A 86 -5.531 31.752 13.662 1.00 0.00 C ATOM 1433 CD GLU A 86 -6.226 31.690 15.032 1.00 0.00 C ATOM 1434 OE1 GLU A 86 -6.355 30.584 15.598 1.00 0.00 O ATOM 1435 OE2 GLU A 86 -6.687 32.735 15.526 1.00 0.00 O ATOM 0 H GLU A 86 -3.527 33.640 13.266 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.489 32.031 15.598 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.698 31.265 12.653 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.077 30.206 13.998 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.543 32.782 13.306 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.105 31.161 12.948 1.00 0.00 H new ATOM 1442 N LEU A 87 -0.889 31.777 13.574 1.00 0.00 N ATOM 1443 CA LEU A 87 0.481 31.256 13.443 1.00 0.00 C ATOM 1444 C LEU A 87 1.361 31.744 14.601 1.00 0.00 C ATOM 1445 O LEU A 87 2.086 30.955 15.210 1.00 0.00 O ATOM 1446 CB LEU A 87 1.138 31.687 12.108 1.00 0.00 C ATOM 1447 CG LEU A 87 2.628 31.233 11.944 1.00 0.00 C ATOM 1448 CD1 LEU A 87 2.753 29.718 11.681 1.00 0.00 C ATOM 1449 CD2 LEU A 87 3.375 32.068 10.896 1.00 0.00 C ATOM 0 H LEU A 87 -1.145 32.457 12.858 1.00 0.00 H new ATOM 0 HA LEU A 87 0.405 30.169 13.464 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.554 31.281 11.282 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.091 32.773 12.028 1.00 0.00 H new ATOM 0 HG LEU A 87 3.117 31.422 12.900 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.805 29.453 11.575 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.323 29.167 12.517 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.220 29.462 10.765 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.404 31.717 10.817 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.881 31.965 9.930 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.371 33.116 11.196 1.00 0.00 H new ATOM 1461 N LYS A 88 1.304 33.060 14.882 1.00 0.00 N ATOM 1462 CA LYS A 88 2.211 33.688 15.857 1.00 0.00 C ATOM 1463 C LYS A 88 1.914 33.199 17.278 1.00 0.00 C ATOM 1464 O LYS A 88 2.835 33.012 18.047 1.00 0.00 O ATOM 1465 CB LYS A 88 2.217 35.247 15.731 1.00 0.00 C ATOM 1466 CG LYS A 88 0.849 35.972 15.835 1.00 0.00 C ATOM 1467 CD LYS A 88 0.344 36.231 17.272 1.00 0.00 C ATOM 1468 CE LYS A 88 1.270 37.161 18.046 1.00 0.00 C ATOM 1469 NZ LYS A 88 1.347 38.516 17.438 1.00 0.00 N ATOM 0 H LYS A 88 0.642 33.704 14.449 1.00 0.00 H new ATOM 0 HA LYS A 88 3.228 33.371 15.624 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.871 35.646 16.507 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.665 35.507 14.772 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.923 36.928 15.316 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.102 35.380 15.307 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.655 36.666 17.232 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.258 35.282 17.802 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.919 37.246 19.074 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.269 36.726 18.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.848 39.159 18.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.861 38.463 16.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.386 38.875 17.268 1.00 0.00 H new ATOM 1483 N GLU A 89 0.623 32.955 17.597 1.00 0.00 N ATOM 1484 CA GLU A 89 0.226 32.390 18.911 1.00 0.00 C ATOM 1485 C GLU A 89 0.638 30.904 19.020 1.00 0.00 C ATOM 1486 O GLU A 89 0.942 30.417 20.118 1.00 0.00 O ATOM 1487 CB GLU A 89 -1.298 32.553 19.175 1.00 0.00 C ATOM 1488 CG GLU A 89 -2.213 31.743 18.234 1.00 0.00 C ATOM 1489 CD GLU A 89 -3.702 31.834 18.597 1.00 0.00 C ATOM 1490 OE1 GLU A 89 -4.158 31.047 19.457 1.00 0.00 O ATOM 1491 OE2 GLU A 89 -4.420 32.694 18.044 1.00 0.00 O ATOM 0 H GLU A 89 -0.159 33.138 16.968 1.00 0.00 H new ATOM 0 HA GLU A 89 0.756 32.955 19.677 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.507 32.258 20.203 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.556 33.609 19.088 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.074 32.097 17.212 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.906 30.697 18.254 1.00 0.00 H new ATOM 1498 N TYR A 90 0.634 30.200 17.868 1.00 0.00 N ATOM 1499 CA TYR A 90 1.091 28.797 17.760 1.00 0.00 C ATOM 1500 C TYR A 90 2.610 28.689 18.025 1.00 0.00 C ATOM 1501 O TYR A 90 3.055 27.809 18.765 1.00 0.00 O ATOM 1502 CB TYR A 90 0.729 28.245 16.349 1.00 0.00 C ATOM 1503 CG TYR A 90 1.342 26.882 15.990 1.00 0.00 C ATOM 1504 CD1 TYR A 90 0.897 25.702 16.594 1.00 0.00 C ATOM 1505 CD2 TYR A 90 2.374 26.781 15.045 1.00 0.00 C ATOM 1506 CE1 TYR A 90 1.459 24.478 16.270 1.00 0.00 C ATOM 1507 CE2 TYR A 90 2.933 25.558 14.720 1.00 0.00 C ATOM 1508 CZ TYR A 90 2.474 24.411 15.334 1.00 0.00 C ATOM 1509 OH TYR A 90 3.034 23.189 15.013 1.00 0.00 O ATOM 0 H TYR A 90 0.312 30.590 16.982 1.00 0.00 H new ATOM 0 HA TYR A 90 0.586 28.197 18.517 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.356 28.165 16.277 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.045 28.973 15.602 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.103 25.746 17.325 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.739 27.675 14.562 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.104 23.577 16.748 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.726 25.501 13.989 1.00 0.00 H new ATOM 0 HH TYR A 90 3.733 23.317 14.338 1.00 0.00 H new ATOM 1519 N MET A 91 3.389 29.604 17.423 1.00 0.00 N ATOM 1520 CA MET A 91 4.863 29.612 17.539 1.00 0.00 C ATOM 1521 C MET A 91 5.293 30.175 18.910 1.00 0.00 C ATOM 1522 O MET A 91 6.291 29.729 19.489 1.00 0.00 O ATOM 1523 CB MET A 91 5.503 30.423 16.381 1.00 0.00 C ATOM 1524 CG MET A 91 5.235 29.858 14.973 1.00 0.00 C ATOM 1525 SD MET A 91 6.158 30.724 13.678 1.00 0.00 S ATOM 1526 CE MET A 91 5.599 32.417 13.883 1.00 0.00 C ATOM 0 H MET A 91 3.019 30.358 16.844 1.00 0.00 H new ATOM 0 HA MET A 91 5.219 28.585 17.465 1.00 0.00 H new ATOM 0 HB2 MET A 91 5.131 31.447 16.424 1.00 0.00 H new ATOM 0 HB3 MET A 91 6.580 30.469 16.540 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.499 28.801 14.955 1.00 0.00 H new ATOM 0 HG3 MET A 91 4.169 29.924 14.758 1.00 0.00 H new ATOM 0 HE1 MET A 91 5.592 32.918 12.915 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.592 32.420 14.300 1.00 0.00 H new ATOM 0 HE3 MET A 91 6.273 32.943 14.559 1.00 0.00 H new ATOM 1536 N LYS A 92 4.516 31.153 19.423 1.00 0.00 N ATOM 1537 CA LYS A 92 4.698 31.701 20.785 1.00 0.00 C ATOM 1538 C LYS A 92 4.427 30.621 21.836 1.00 0.00 C ATOM 1539 O LYS A 92 5.094 30.586 22.863 1.00 0.00 O ATOM 1540 CB LYS A 92 3.795 32.946 21.049 1.00 0.00 C ATOM 1541 CG LYS A 92 4.309 34.270 20.431 1.00 0.00 C ATOM 1542 CD LYS A 92 5.634 34.770 21.054 1.00 0.00 C ATOM 1543 CE LYS A 92 5.523 35.032 22.566 1.00 0.00 C ATOM 1544 NZ LYS A 92 6.780 35.582 23.133 1.00 0.00 N ATOM 0 H LYS A 92 3.748 31.583 18.908 1.00 0.00 H new ATOM 0 HA LYS A 92 5.735 32.029 20.862 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.798 32.743 20.658 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.693 33.081 22.126 1.00 0.00 H new ATOM 0 HG2 LYS A 92 4.451 34.130 19.359 1.00 0.00 H new ATOM 0 HG3 LYS A 92 3.546 35.039 20.554 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.415 34.032 20.875 1.00 0.00 H new ATOM 0 HD3 LYS A 92 5.942 35.688 20.553 1.00 0.00 H new ATOM 0 HE2 LYS A 92 4.706 35.729 22.753 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.272 34.102 23.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 6.659 35.743 24.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.555 34.906 22.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.007 36.483 22.665 1.00 0.00 H new ATOM 1558 N SER A 93 3.452 29.734 21.546 1.00 0.00 N ATOM 1559 CA SER A 93 3.116 28.594 22.419 1.00 0.00 C ATOM 1560 C SER A 93 4.355 27.715 22.660 1.00 0.00 C ATOM 1561 O SER A 93 4.678 27.367 23.797 1.00 0.00 O ATOM 1562 CB SER A 93 1.977 27.761 21.789 1.00 0.00 C ATOM 1563 OG SER A 93 1.605 26.660 22.600 1.00 0.00 O ATOM 0 H SER A 93 2.879 29.789 20.704 1.00 0.00 H new ATOM 0 HA SER A 93 2.778 28.979 23.381 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.109 28.400 21.627 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.293 27.399 20.811 1.00 0.00 H new ATOM 0 HG SER A 93 0.882 26.163 22.164 1.00 0.00 H new ATOM 1798 N LYS A 106 16.513 28.913 11.814 1.00 0.00 N ATOM 1799 CA LYS A 106 15.062 28.897 11.513 1.00 0.00 C ATOM 1800 C LYS A 106 14.619 27.461 11.137 1.00 0.00 C ATOM 1801 O LYS A 106 15.363 26.497 11.369 1.00 0.00 O ATOM 1802 CB LYS A 106 14.741 29.900 10.353 1.00 0.00 C ATOM 1803 CG LYS A 106 15.378 29.542 8.976 1.00 0.00 C ATOM 1804 CD LYS A 106 16.802 30.113 8.743 1.00 0.00 C ATOM 1805 CE LYS A 106 16.793 31.565 8.238 1.00 0.00 C ATOM 1806 NZ LYS A 106 16.137 31.670 6.906 1.00 0.00 N ATOM 0 HA LYS A 106 14.508 29.210 12.398 1.00 0.00 H new ATOM 0 HB2 LYS A 106 13.659 29.957 10.232 1.00 0.00 H new ATOM 0 HB3 LYS A 106 15.082 30.893 10.647 1.00 0.00 H new ATOM 0 HG2 LYS A 106 15.418 28.457 8.883 1.00 0.00 H new ATOM 0 HG3 LYS A 106 14.723 29.906 8.184 1.00 0.00 H new ATOM 0 HD2 LYS A 106 17.365 30.062 9.675 1.00 0.00 H new ATOM 0 HD3 LYS A 106 17.325 29.486 8.020 1.00 0.00 H new ATOM 0 HE2 LYS A 106 16.270 32.198 8.954 1.00 0.00 H new ATOM 0 HE3 LYS A 106 17.816 31.936 8.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 16.591 32.425 6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 16.232 30.766 6.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 15.129 31.892 7.032 1.00 0.00 H new ATOM 1820 N LYS A 107 13.415 27.315 10.554 1.00 0.00 N ATOM 1821 CA LYS A 107 12.912 26.015 10.084 1.00 0.00 C ATOM 1822 C LYS A 107 12.303 26.164 8.693 1.00 0.00 C ATOM 1823 O LYS A 107 11.708 27.195 8.392 1.00 0.00 O ATOM 1824 CB LYS A 107 11.855 25.448 11.077 1.00 0.00 C ATOM 1825 CG LYS A 107 11.449 23.950 10.881 1.00 0.00 C ATOM 1826 CD LYS A 107 12.397 22.939 11.603 1.00 0.00 C ATOM 1827 CE LYS A 107 13.821 22.862 11.018 1.00 0.00 C ATOM 1828 NZ LYS A 107 14.731 22.033 11.847 1.00 0.00 N ATOM 0 H LYS A 107 12.770 28.089 10.397 1.00 0.00 H new ATOM 0 HA LYS A 107 13.746 25.315 10.032 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.239 25.568 12.090 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.955 26.058 11.003 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.433 23.808 11.250 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.436 23.723 9.815 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.466 23.214 12.656 1.00 0.00 H new ATOM 0 HD3 LYS A 107 11.947 21.947 11.561 1.00 0.00 H new ATOM 0 HE2 LYS A 107 13.775 22.449 10.010 1.00 0.00 H new ATOM 0 HE3 LYS A 107 14.230 23.869 10.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 15.675 22.013 11.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.799 22.440 12.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 14.358 21.064 11.910 1.00 0.00 H new ATOM 1842 N LEU A 108 12.472 25.126 7.861 1.00 0.00 N ATOM 1843 CA LEU A 108 11.867 25.053 6.521 1.00 0.00 C ATOM 1844 C LEU A 108 10.384 24.676 6.682 1.00 0.00 C ATOM 1845 O LEU A 108 10.065 23.582 7.145 1.00 0.00 O ATOM 1846 CB LEU A 108 12.645 24.022 5.622 1.00 0.00 C ATOM 1847 CG LEU A 108 12.396 24.032 4.059 1.00 0.00 C ATOM 1848 CD1 LEU A 108 11.011 23.492 3.655 1.00 0.00 C ATOM 1849 CD2 LEU A 108 12.634 25.429 3.454 1.00 0.00 C ATOM 0 H LEU A 108 13.035 24.309 8.099 1.00 0.00 H new ATOM 0 HA LEU A 108 11.933 26.018 6.018 1.00 0.00 H new ATOM 0 HB2 LEU A 108 13.711 24.179 5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.410 23.022 5.987 1.00 0.00 H new ATOM 0 HG LEU A 108 13.131 23.344 3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 108 10.909 23.528 2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 108 10.909 22.461 3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 108 10.234 24.104 4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 108 12.453 25.396 2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 108 11.954 26.146 3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 108 13.664 25.735 3.639 1.00 0.00 H new ATOM 1861 N TRP A 109 9.493 25.607 6.337 1.00 0.00 N ATOM 1862 CA TRP A 109 8.045 25.356 6.264 1.00 0.00 C ATOM 1863 C TRP A 109 7.660 25.053 4.805 1.00 0.00 C ATOM 1864 O TRP A 109 8.339 25.482 3.870 1.00 0.00 O ATOM 1865 CB TRP A 109 7.247 26.581 6.789 1.00 0.00 C ATOM 1866 CG TRP A 109 7.446 26.892 8.256 1.00 0.00 C ATOM 1867 CD1 TRP A 109 8.589 27.338 8.855 1.00 0.00 C ATOM 1868 CD2 TRP A 109 6.461 26.808 9.300 1.00 0.00 C ATOM 1869 NE1 TRP A 109 8.382 27.525 10.195 1.00 0.00 N ATOM 1870 CE2 TRP A 109 7.086 27.208 10.495 1.00 0.00 C ATOM 1871 CE3 TRP A 109 5.113 26.433 9.336 1.00 0.00 C ATOM 1872 CZ2 TRP A 109 6.414 27.246 11.714 1.00 0.00 C ATOM 1873 CZ3 TRP A 109 4.446 26.467 10.549 1.00 0.00 C ATOM 1874 CH2 TRP A 109 5.097 26.876 11.724 1.00 0.00 C ATOM 0 H TRP A 109 9.753 26.564 6.098 1.00 0.00 H new ATOM 0 HA TRP A 109 7.798 24.501 6.893 1.00 0.00 H new ATOM 0 HB2 TRP A 109 7.530 27.457 6.206 1.00 0.00 H new ATOM 0 HB3 TRP A 109 6.186 26.408 6.610 1.00 0.00 H new ATOM 0 HD1 TRP A 109 9.523 27.518 8.344 1.00 0.00 H new ATOM 0 HE1 TRP A 109 9.082 27.849 10.863 1.00 0.00 H new ATOM 0 HE3 TRP A 109 4.603 26.123 8.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 6.915 27.556 12.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 3.407 26.174 10.592 1.00 0.00 H new ATOM 0 HH2 TRP A 109 4.547 26.899 12.653 1.00 0.00 H new ATOM 1885 N MET A 110 6.578 24.299 4.621 1.00 0.00 N ATOM 1886 CA MET A 110 6.048 23.958 3.291 1.00 0.00 C ATOM 1887 C MET A 110 4.536 24.195 3.264 1.00 0.00 C ATOM 1888 O MET A 110 3.811 23.731 4.144 1.00 0.00 O ATOM 1889 CB MET A 110 6.401 22.487 2.923 1.00 0.00 C ATOM 1890 CG MET A 110 6.219 21.471 4.057 1.00 0.00 C ATOM 1891 SD MET A 110 6.475 19.769 3.528 1.00 0.00 S ATOM 1892 CE MET A 110 5.007 19.490 2.542 1.00 0.00 C ATOM 0 H MET A 110 6.038 23.903 5.390 1.00 0.00 H new ATOM 0 HA MET A 110 6.510 24.601 2.542 1.00 0.00 H new ATOM 0 HB2 MET A 110 5.782 22.181 2.079 1.00 0.00 H new ATOM 0 HB3 MET A 110 7.437 22.452 2.587 1.00 0.00 H new ATOM 0 HG2 MET A 110 6.917 21.704 4.861 1.00 0.00 H new ATOM 0 HG3 MET A 110 5.214 21.570 4.468 1.00 0.00 H new ATOM 0 HE1 MET A 110 4.960 18.441 2.248 1.00 0.00 H new ATOM 0 HE2 MET A 110 4.123 19.743 3.127 1.00 0.00 H new ATOM 0 HE3 MET A 110 5.044 20.115 1.650 1.00 0.00 H new ATOM 1902 N ALA A 111 4.080 24.918 2.238 1.00 0.00 N ATOM 1903 CA ALA A 111 2.670 25.243 2.041 1.00 0.00 C ATOM 1904 C ALA A 111 2.068 24.266 1.040 1.00 0.00 C ATOM 1905 O ALA A 111 2.285 24.396 -0.169 1.00 0.00 O ATOM 1906 CB ALA A 111 2.539 26.689 1.541 1.00 0.00 C ATOM 0 H ALA A 111 4.689 25.298 1.513 1.00 0.00 H new ATOM 0 HA ALA A 111 2.131 25.157 2.984 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.486 26.929 1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.967 27.369 2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.071 26.797 0.595 1.00 0.00 H new ATOM 1912 N ILE A 112 1.322 23.292 1.553 1.00 0.00 N ATOM 1913 CA ILE A 112 0.669 22.271 0.733 1.00 0.00 C ATOM 1914 C ILE A 112 -0.595 22.873 0.122 1.00 0.00 C ATOM 1915 O ILE A 112 -1.468 23.327 0.862 1.00 0.00 O ATOM 1916 CB ILE A 112 0.278 21.014 1.594 1.00 0.00 C ATOM 1917 CG1 ILE A 112 1.503 20.483 2.397 1.00 0.00 C ATOM 1918 CG2 ILE A 112 -0.324 19.904 0.711 1.00 0.00 C ATOM 1919 CD1 ILE A 112 1.169 19.418 3.435 1.00 0.00 C ATOM 0 H ILE A 112 1.151 23.186 2.553 1.00 0.00 H new ATOM 0 HA ILE A 112 1.361 21.949 -0.045 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.484 21.324 2.309 1.00 0.00 H new ATOM 0 HG12 ILE A 112 2.230 20.073 1.696 1.00 0.00 H new ATOM 0 HG13 ILE A 112 1.983 21.323 2.899 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -0.585 19.047 1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.219 20.279 0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.406 19.600 -0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 112 2.081 19.108 3.944 1.00 0.00 H new ATOM 0 HD12 ILE A 112 0.468 19.826 4.163 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.719 18.557 2.941 1.00 0.00 H new ATOM 1931 N GLU A 113 -0.684 22.890 -1.211 1.00 0.00 N ATOM 1932 CA GLU A 113 -1.863 23.430 -1.909 1.00 0.00 C ATOM 1933 C GLU A 113 -2.969 22.347 -1.853 1.00 0.00 C ATOM 1934 O GLU A 113 -2.692 21.175 -2.067 1.00 0.00 O ATOM 1935 CB GLU A 113 -1.461 23.813 -3.372 1.00 0.00 C ATOM 1936 CG GLU A 113 -2.314 24.886 -4.089 1.00 0.00 C ATOM 1937 CD GLU A 113 -3.809 24.565 -4.197 1.00 0.00 C ATOM 1938 OE1 GLU A 113 -4.207 23.806 -5.108 1.00 0.00 O ATOM 1939 OE2 GLU A 113 -4.594 25.074 -3.373 1.00 0.00 O ATOM 0 H GLU A 113 0.044 22.537 -1.832 1.00 0.00 H new ATOM 0 HA GLU A 113 -2.243 24.338 -1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -0.428 24.159 -3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -1.484 22.906 -3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -2.199 25.832 -3.560 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.916 25.032 -5.093 1.00 0.00 H new ATOM 1946 N LEU A 114 -4.199 22.734 -1.498 1.00 0.00 N ATOM 1947 CA LEU A 114 -5.345 21.808 -1.401 1.00 0.00 C ATOM 1948 C LEU A 114 -6.473 22.278 -2.333 1.00 0.00 C ATOM 1949 O LEU A 114 -6.991 23.388 -2.182 1.00 0.00 O ATOM 1950 CB LEU A 114 -5.864 21.668 0.076 1.00 0.00 C ATOM 1951 CG LEU A 114 -5.163 20.599 0.970 1.00 0.00 C ATOM 1952 CD1 LEU A 114 -5.150 19.239 0.271 1.00 0.00 C ATOM 1953 CD2 LEU A 114 -3.748 21.009 1.404 1.00 0.00 C ATOM 0 H LEU A 114 -4.434 23.700 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 114 -5.008 20.820 -1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -5.764 22.637 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -6.929 21.437 0.041 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.751 20.522 1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.657 18.506 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.174 18.920 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -4.610 19.320 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.315 20.223 2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.126 21.160 0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.797 21.936 1.976 1.00 0.00 H new ATOM 1965 N GLU A 115 -6.837 21.429 -3.300 1.00 0.00 N ATOM 1966 CA GLU A 115 -7.964 21.677 -4.224 1.00 0.00 C ATOM 1967 C GLU A 115 -8.937 20.493 -4.171 1.00 0.00 C ATOM 1968 O GLU A 115 -8.671 19.510 -3.474 1.00 0.00 O ATOM 1969 CB GLU A 115 -7.444 21.864 -5.674 1.00 0.00 C ATOM 1970 CG GLU A 115 -6.894 20.572 -6.317 1.00 0.00 C ATOM 1971 CD GLU A 115 -6.500 20.707 -7.798 1.00 0.00 C ATOM 1972 OE1 GLU A 115 -6.159 21.823 -8.246 1.00 0.00 O ATOM 1973 OE2 GLU A 115 -6.503 19.690 -8.520 1.00 0.00 O ATOM 0 H GLU A 115 -6.359 20.544 -3.470 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.479 22.588 -3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.255 22.249 -6.293 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -6.658 22.619 -5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -6.022 20.244 -5.752 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -7.646 19.788 -6.225 1.00 0.00 H new ATOM 1980 N ASP A 116 -10.068 20.615 -4.903 1.00 0.00 N ATOM 1981 CA ASP A 116 -11.027 19.507 -5.140 1.00 0.00 C ATOM 1982 C ASP A 116 -11.499 18.886 -3.804 1.00 0.00 C ATOM 1983 O ASP A 116 -11.711 17.672 -3.693 1.00 0.00 O ATOM 1984 CB ASP A 116 -10.377 18.458 -6.101 1.00 0.00 C ATOM 1985 CG ASP A 116 -11.358 17.380 -6.620 1.00 0.00 C ATOM 1986 OD1 ASP A 116 -12.264 17.725 -7.407 1.00 0.00 O ATOM 1987 OD2 ASP A 116 -11.218 16.184 -6.261 1.00 0.00 O ATOM 0 H ASP A 116 -10.344 21.490 -5.349 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.924 19.893 -5.625 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -9.946 18.982 -6.954 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -9.555 17.965 -5.581 1.00 0.00 H new ATOM 1992 N VAL A 117 -11.653 19.752 -2.785 1.00 0.00 N ATOM 1993 CA VAL A 117 -12.032 19.326 -1.439 1.00 0.00 C ATOM 1994 C VAL A 117 -13.460 18.747 -1.465 1.00 0.00 C ATOM 1995 O VAL A 117 -14.430 19.469 -1.737 1.00 0.00 O ATOM 1996 CB VAL A 117 -11.926 20.481 -0.386 1.00 0.00 C ATOM 1997 CG1 VAL A 117 -12.244 19.945 1.025 1.00 0.00 C ATOM 1998 CG2 VAL A 117 -10.532 21.165 -0.422 1.00 0.00 C ATOM 0 H VAL A 117 -11.518 20.759 -2.878 1.00 0.00 H new ATOM 0 HA VAL A 117 -11.326 18.557 -1.126 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.662 21.242 -0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -12.167 20.757 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -13.256 19.539 1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -11.534 19.159 1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -10.498 21.960 0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -9.759 20.428 -0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -10.359 21.587 -1.412 1.00 0.00 H new ATOM 2008 N LYS A 118 -13.552 17.426 -1.254 1.00 0.00 N ATOM 2009 CA LYS A 118 -14.791 16.658 -1.386 1.00 0.00 C ATOM 2010 C LYS A 118 -15.272 16.146 -0.014 1.00 0.00 C ATOM 2011 O LYS A 118 -14.615 15.302 0.603 1.00 0.00 O ATOM 2012 CB LYS A 118 -14.549 15.482 -2.383 1.00 0.00 C ATOM 2013 CG LYS A 118 -15.768 15.104 -3.252 1.00 0.00 C ATOM 2014 CD LYS A 118 -16.270 16.273 -4.152 1.00 0.00 C ATOM 2015 CE LYS A 118 -15.154 16.975 -4.970 1.00 0.00 C ATOM 2016 NZ LYS A 118 -14.428 16.054 -5.887 1.00 0.00 N ATOM 0 H LYS A 118 -12.752 16.855 -0.982 1.00 0.00 H new ATOM 0 HA LYS A 118 -15.580 17.300 -1.777 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -13.721 15.747 -3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -14.238 14.604 -1.817 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -15.506 14.255 -3.884 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -16.581 14.779 -2.603 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -17.022 15.888 -4.841 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -16.764 17.014 -3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -15.595 17.784 -5.553 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -14.440 17.429 -4.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -13.870 16.609 -6.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -13.793 15.443 -5.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -15.113 15.465 -6.402 1.00 0.00 H new ATOM 2030 N LYS A 119 -16.415 16.670 0.452 1.00 0.00 N ATOM 2031 CA LYS A 119 -17.056 16.251 1.712 1.00 0.00 C ATOM 2032 C LYS A 119 -17.580 14.808 1.625 1.00 0.00 C ATOM 2033 O LYS A 119 -18.143 14.407 0.601 1.00 0.00 O ATOM 2034 CB LYS A 119 -18.225 17.227 2.075 1.00 0.00 C ATOM 2035 CG LYS A 119 -17.850 18.396 3.016 1.00 0.00 C ATOM 2036 CD LYS A 119 -17.592 17.941 4.476 1.00 0.00 C ATOM 2037 CE LYS A 119 -18.785 17.194 5.092 1.00 0.00 C ATOM 2038 NZ LYS A 119 -18.630 16.975 6.543 1.00 0.00 N ATOM 0 H LYS A 119 -16.927 17.404 -0.038 1.00 0.00 H new ATOM 0 HA LYS A 119 -16.301 16.287 2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -18.628 17.642 1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -19.024 16.651 2.541 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -16.958 18.891 2.633 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -18.653 19.133 3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -16.714 17.295 4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -17.362 18.814 5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -19.698 17.761 4.909 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -18.903 16.232 4.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -19.567 16.957 6.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -18.149 16.068 6.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -18.064 17.746 6.952 1.00 0.00 H new ATOM 2052 N TYR A 120 -17.395 14.045 2.716 1.00 0.00 N ATOM 2053 CA TYR A 120 -17.970 12.702 2.854 1.00 0.00 C ATOM 2054 C TYR A 120 -19.425 12.809 3.330 1.00 0.00 C ATOM 2055 O TYR A 120 -19.690 13.278 4.441 1.00 0.00 O ATOM 2056 CB TYR A 120 -17.140 11.821 3.831 1.00 0.00 C ATOM 2057 CG TYR A 120 -15.727 11.456 3.347 1.00 0.00 C ATOM 2058 CD1 TYR A 120 -15.433 11.328 1.985 1.00 0.00 C ATOM 2059 CD2 TYR A 120 -14.694 11.214 4.254 1.00 0.00 C ATOM 2060 CE1 TYR A 120 -14.169 10.980 1.557 1.00 0.00 C ATOM 2061 CE2 TYR A 120 -13.427 10.860 3.826 1.00 0.00 C ATOM 2062 CZ TYR A 120 -13.169 10.746 2.477 1.00 0.00 C ATOM 2063 OH TYR A 120 -11.911 10.375 2.046 1.00 0.00 O ATOM 0 H TYR A 120 -16.845 14.343 3.522 1.00 0.00 H new ATOM 0 HA TYR A 120 -17.944 12.218 1.878 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -17.056 12.344 4.784 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -17.691 10.900 4.020 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -16.210 11.505 1.256 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -14.888 11.305 5.313 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -13.962 10.891 0.501 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -12.644 10.674 4.546 1.00 0.00 H new ATOM 0 HH TYR A 120 -11.861 10.460 1.071 1.00 0.00 H new ATOM 2073 N ASP A 121 -20.356 12.404 2.456 1.00 0.00 N ATOM 2074 CA ASP A 121 -21.791 12.315 2.781 1.00 0.00 C ATOM 2075 C ASP A 121 -22.052 11.096 3.692 1.00 0.00 C ATOM 2076 O ASP A 121 -22.980 11.090 4.508 1.00 0.00 O ATOM 2077 CB ASP A 121 -22.615 12.206 1.471 1.00 0.00 C ATOM 2078 CG ASP A 121 -24.137 12.196 1.708 1.00 0.00 C ATOM 2079 OD1 ASP A 121 -24.741 13.286 1.817 1.00 0.00 O ATOM 2080 OD2 ASP A 121 -24.737 11.104 1.793 1.00 0.00 O ATOM 0 H ASP A 121 -20.137 12.127 1.499 1.00 0.00 H new ATOM 0 HA ASP A 121 -22.098 13.214 3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -22.361 13.042 0.820 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -22.330 11.295 0.945 1.00 0.00 H new ATOM 2085 N LYS A 122 -21.198 10.074 3.534 1.00 0.00 N ATOM 2086 CA LYS A 122 -21.308 8.782 4.226 1.00 0.00 C ATOM 2087 C LYS A 122 -20.235 8.681 5.345 1.00 0.00 C ATOM 2088 O LYS A 122 -19.133 9.229 5.193 1.00 0.00 O ATOM 2089 CB LYS A 122 -21.149 7.647 3.172 1.00 0.00 C ATOM 2090 CG LYS A 122 -19.820 7.690 2.369 1.00 0.00 C ATOM 2091 CD LYS A 122 -19.833 6.786 1.114 1.00 0.00 C ATOM 2092 CE LYS A 122 -20.898 7.224 0.090 1.00 0.00 C ATOM 2093 NZ LYS A 122 -20.928 6.346 -1.106 1.00 0.00 N ATOM 0 H LYS A 122 -20.394 10.124 2.908 1.00 0.00 H new ATOM 0 HA LYS A 122 -22.282 8.686 4.706 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -21.220 6.685 3.680 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -21.983 7.700 2.472 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -19.620 8.718 2.066 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -19.001 7.385 3.020 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -18.850 6.806 0.644 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -20.022 5.755 1.413 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -21.879 7.219 0.565 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -20.699 8.250 -0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -21.660 6.681 -1.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -20.001 6.369 -1.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -21.144 5.371 -0.816 1.00 0.00 H new ATOM 2107 N PRO A 123 -20.541 7.992 6.494 1.00 0.00 N ATOM 2108 CA PRO A 123 -19.575 7.815 7.603 1.00 0.00 C ATOM 2109 C PRO A 123 -18.533 6.722 7.275 1.00 0.00 C ATOM 2110 O PRO A 123 -18.818 5.516 7.355 1.00 0.00 O ATOM 2111 CB PRO A 123 -20.481 7.423 8.791 1.00 0.00 C ATOM 2112 CG PRO A 123 -21.635 6.698 8.160 1.00 0.00 C ATOM 2113 CD PRO A 123 -21.843 7.339 6.798 1.00 0.00 C ATOM 0 HA PRO A 123 -18.979 8.705 7.806 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -19.952 6.786 9.500 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -20.817 8.302 9.341 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -21.419 5.634 8.061 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -22.532 6.786 8.773 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -22.100 6.595 6.044 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -22.656 8.065 6.820 1.00 0.00 H new ATOM 2121 N ILE A 124 -17.344 7.157 6.843 1.00 0.00 N ATOM 2122 CA ILE A 124 -16.267 6.244 6.442 1.00 0.00 C ATOM 2123 C ILE A 124 -15.452 5.803 7.666 1.00 0.00 C ATOM 2124 O ILE A 124 -14.930 6.638 8.416 1.00 0.00 O ATOM 2125 CB ILE A 124 -15.340 6.883 5.344 1.00 0.00 C ATOM 2126 CG1 ILE A 124 -16.197 7.269 4.092 1.00 0.00 C ATOM 2127 CG2 ILE A 124 -14.173 5.931 4.964 1.00 0.00 C ATOM 2128 CD1 ILE A 124 -15.412 7.733 2.884 1.00 0.00 C ATOM 0 H ILE A 124 -17.102 8.145 6.762 1.00 0.00 H new ATOM 0 HA ILE A 124 -16.727 5.361 5.998 1.00 0.00 H new ATOM 0 HB ILE A 124 -14.888 7.788 5.750 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -16.797 6.406 3.804 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -16.891 8.059 4.378 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -13.552 6.403 4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -13.570 5.724 5.848 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -14.578 4.997 4.574 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -16.100 7.975 2.074 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -14.833 8.619 3.145 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -14.737 6.940 2.562 1.00 0.00 H new ATOM 2140 N LYS A 125 -15.373 4.480 7.854 1.00 0.00 N ATOM 2141 CA LYS A 125 -14.648 3.853 8.961 1.00 0.00 C ATOM 2142 C LYS A 125 -13.126 3.908 8.694 1.00 0.00 C ATOM 2143 O LYS A 125 -12.683 3.512 7.606 1.00 0.00 O ATOM 2144 CB LYS A 125 -15.121 2.381 9.103 1.00 0.00 C ATOM 2145 CG LYS A 125 -16.637 2.232 9.361 1.00 0.00 C ATOM 2146 CD LYS A 125 -17.127 0.772 9.245 1.00 0.00 C ATOM 2147 CE LYS A 125 -16.480 -0.174 10.274 1.00 0.00 C ATOM 2148 NZ LYS A 125 -16.969 -1.567 10.120 1.00 0.00 N ATOM 0 H LYS A 125 -15.818 3.807 7.231 1.00 0.00 H new ATOM 0 HA LYS A 125 -14.852 4.389 9.888 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -14.862 1.837 8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -14.575 1.912 9.922 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -16.870 2.610 10.357 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -17.184 2.851 8.650 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -18.209 0.749 9.371 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -16.915 0.404 8.241 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -15.396 -0.153 10.157 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -16.699 0.179 11.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -16.512 -2.176 10.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -18.000 -1.590 10.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -16.738 -1.913 9.167 1.00 0.00 H new ATOM 2162 N PRO A 126 -12.306 4.443 9.655 1.00 0.00 N ATOM 2163 CA PRO A 126 -10.836 4.388 9.550 1.00 0.00 C ATOM 2164 C PRO A 126 -10.316 2.938 9.657 1.00 0.00 C ATOM 2165 O PRO A 126 -10.710 2.186 10.564 1.00 0.00 O ATOM 2166 CB PRO A 126 -10.342 5.294 10.711 1.00 0.00 C ATOM 2167 CG PRO A 126 -11.477 5.315 11.691 1.00 0.00 C ATOM 2168 CD PRO A 126 -12.745 5.173 10.875 1.00 0.00 C ATOM 0 HA PRO A 126 -10.465 4.734 8.585 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -9.435 4.895 11.165 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -10.107 6.298 10.357 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -11.385 4.502 12.411 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -11.483 6.245 12.260 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -13.510 4.619 11.419 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -13.171 6.145 10.627 1.00 0.00 H new ATOM 2176 N LYS A 127 -9.454 2.553 8.696 1.00 0.00 N ATOM 2177 CA LYS A 127 -8.864 1.197 8.620 1.00 0.00 C ATOM 2178 C LYS A 127 -7.761 1.030 9.683 1.00 0.00 C ATOM 2179 O LYS A 127 -7.448 -0.094 10.096 1.00 0.00 O ATOM 2180 CB LYS A 127 -8.324 0.886 7.184 1.00 0.00 C ATOM 2181 CG LYS A 127 -9.421 0.607 6.116 1.00 0.00 C ATOM 2182 CD LYS A 127 -10.339 1.826 5.830 1.00 0.00 C ATOM 2183 CE LYS A 127 -11.553 1.478 4.950 1.00 0.00 C ATOM 2184 NZ LYS A 127 -12.476 2.638 4.794 1.00 0.00 N ATOM 0 H LYS A 127 -9.145 3.173 7.948 1.00 0.00 H new ATOM 0 HA LYS A 127 -9.652 0.473 8.830 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -7.718 1.728 6.850 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -7.664 0.021 7.240 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -8.941 0.299 5.187 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -10.036 -0.229 6.449 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -10.690 2.238 6.776 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -9.755 2.605 5.340 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -11.209 1.153 3.968 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -12.093 0.641 5.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -13.383 2.310 4.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -12.637 3.080 5.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -12.053 3.334 4.147 1.00 0.00 H new ATOM 2198 N ARG A 128 -7.187 2.167 10.120 1.00 0.00 N ATOM 2199 CA ARG A 128 -6.247 2.229 11.251 1.00 0.00 C ATOM 2200 C ARG A 128 -6.382 3.602 11.934 1.00 0.00 C ATOM 2201 O ARG A 128 -6.893 4.561 11.330 1.00 0.00 O ATOM 2202 CB ARG A 128 -4.780 1.949 10.799 1.00 0.00 C ATOM 2203 CG ARG A 128 -4.089 3.084 10.002 1.00 0.00 C ATOM 2204 CD ARG A 128 -2.698 2.667 9.475 1.00 0.00 C ATOM 2205 NE ARG A 128 -1.915 3.806 8.949 1.00 0.00 N ATOM 2206 CZ ARG A 128 -1.627 4.043 7.658 1.00 0.00 C ATOM 2207 NH1 ARG A 128 -2.182 3.332 6.682 1.00 0.00 N ATOM 2208 NH2 ARG A 128 -0.781 5.011 7.350 1.00 0.00 N ATOM 0 H ARG A 128 -7.366 3.076 9.693 1.00 0.00 H new ATOM 0 HA ARG A 128 -6.497 1.447 11.968 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -4.182 1.737 11.685 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -4.775 1.047 10.188 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -4.722 3.373 9.163 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -3.985 3.962 10.640 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -2.139 2.189 10.280 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -2.822 1.923 8.688 1.00 0.00 H new ATOM 0 HE ARG A 128 -1.560 4.476 9.631 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -2.842 2.588 6.905 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -1.948 3.531 5.709 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -0.354 5.569 8.089 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -0.555 5.199 6.373 1.00 0.00 H new ATOM 2222 N LEU A 129 -5.949 3.673 13.205 1.00 0.00 N ATOM 2223 CA LEU A 129 -5.995 4.909 14.016 1.00 0.00 C ATOM 2224 C LEU A 129 -5.112 6.008 13.395 1.00 0.00 C ATOM 2225 O LEU A 129 -4.038 5.718 12.847 1.00 0.00 O ATOM 2226 CB LEU A 129 -5.577 4.644 15.503 1.00 0.00 C ATOM 2227 CG LEU A 129 -4.069 4.308 15.801 1.00 0.00 C ATOM 2228 CD1 LEU A 129 -3.772 4.378 17.316 1.00 0.00 C ATOM 2229 CD2 LEU A 129 -3.648 2.932 15.232 1.00 0.00 C ATOM 0 H LEU A 129 -5.556 2.874 13.703 1.00 0.00 H new ATOM 0 HA LEU A 129 -7.029 5.255 14.019 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -5.844 5.525 16.086 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -6.183 3.819 15.877 1.00 0.00 H new ATOM 0 HG LEU A 129 -3.474 5.067 15.292 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -2.723 4.141 17.492 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -3.984 5.382 17.682 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -4.400 3.660 17.843 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -2.599 2.748 15.464 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -4.262 2.150 15.679 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -3.786 2.928 14.151 1.00 0.00 H new ATOM 2241 N VAL A 130 -5.586 7.269 13.464 1.00 0.00 N ATOM 2242 CA VAL A 130 -4.865 8.438 12.915 1.00 0.00 C ATOM 2243 C VAL A 130 -4.447 9.384 14.069 1.00 0.00 C ATOM 2244 O VAL A 130 -5.273 10.169 14.551 1.00 0.00 O ATOM 2245 CB VAL A 130 -5.728 9.229 11.848 1.00 0.00 C ATOM 2246 CG1 VAL A 130 -4.905 10.369 11.193 1.00 0.00 C ATOM 2247 CG2 VAL A 130 -6.301 8.276 10.770 1.00 0.00 C ATOM 0 H VAL A 130 -6.477 7.506 13.900 1.00 0.00 H new ATOM 0 HA VAL A 130 -3.979 8.067 12.401 1.00 0.00 H new ATOM 0 HB VAL A 130 -6.567 9.681 12.377 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -5.525 10.893 10.465 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -4.577 11.069 11.962 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -4.034 9.947 10.691 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -6.888 8.849 10.053 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -5.481 7.778 10.252 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -6.937 7.529 11.245 1.00 0.00 H new ATOM 2257 N PRO A 131 -3.164 9.283 14.573 1.00 0.00 N ATOM 2258 CA PRO A 131 -2.609 10.232 15.576 1.00 0.00 C ATOM 2259 C PRO A 131 -2.418 11.651 15.004 1.00 0.00 C ATOM 2260 O PRO A 131 -2.571 11.867 13.800 1.00 0.00 O ATOM 2261 CB PRO A 131 -1.244 9.596 15.987 1.00 0.00 C ATOM 2262 CG PRO A 131 -1.317 8.181 15.495 1.00 0.00 C ATOM 2263 CD PRO A 131 -2.173 8.229 14.252 1.00 0.00 C ATOM 0 HA PRO A 131 -3.285 10.367 16.421 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -0.407 10.129 15.535 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -1.100 9.632 17.067 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -0.324 7.791 15.272 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -1.755 7.526 16.248 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -1.588 8.481 13.368 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -2.653 7.270 14.054 1.00 0.00 H new ATOM 2271 N VAL A 132 -2.055 12.604 15.882 1.00 0.00 N ATOM 2272 CA VAL A 132 -1.877 14.025 15.520 1.00 0.00 C ATOM 2273 C VAL A 132 -0.716 14.246 14.519 1.00 0.00 C ATOM 2274 O VAL A 132 -0.667 15.281 13.843 1.00 0.00 O ATOM 2275 CB VAL A 132 -1.674 14.908 16.805 1.00 0.00 C ATOM 2276 CG1 VAL A 132 -2.927 14.858 17.716 1.00 0.00 C ATOM 2277 CG2 VAL A 132 -0.403 14.490 17.593 1.00 0.00 C ATOM 0 H VAL A 132 -1.876 12.411 16.867 1.00 0.00 H new ATOM 0 HA VAL A 132 -2.793 14.336 15.017 1.00 0.00 H new ATOM 0 HB VAL A 132 -1.532 15.937 16.474 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -2.761 15.477 18.598 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -3.791 15.233 17.167 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -3.112 13.829 18.025 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -0.297 15.123 18.474 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -0.493 13.449 17.903 1.00 0.00 H new ATOM 0 HG23 VAL A 132 0.474 14.604 16.956 1.00 0.00 H new ATOM 2287 N GLY A 133 0.204 13.263 14.441 1.00 0.00 N ATOM 2288 CA GLY A 133 1.285 13.267 13.448 1.00 0.00 C ATOM 2289 C GLY A 133 0.806 12.945 12.028 1.00 0.00 C ATOM 2290 O GLY A 133 1.511 13.220 11.050 1.00 0.00 O ATOM 0 H GLY A 133 0.215 12.453 15.061 1.00 0.00 H new ATOM 0 HA2 GLY A 133 1.766 14.245 13.449 1.00 0.00 H new ATOM 0 HA3 GLY A 133 2.042 12.540 13.742 1.00 0.00 H new ATOM 2294 N GLY A 134 -0.393 12.332 11.935 1.00 0.00 N ATOM 2295 CA GLY A 134 -1.031 11.992 10.659 1.00 0.00 C ATOM 2296 C GLY A 134 -0.518 10.673 10.075 1.00 0.00 C ATOM 2297 O GLY A 134 0.629 10.279 10.323 1.00 0.00 O ATOM 0 H GLY A 134 -0.943 12.061 12.750 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -2.109 11.926 10.803 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -0.854 12.795 9.943 1.00 0.00 H new ATOM 2301 N GLN A 135 -1.379 9.968 9.313 1.00 0.00 N ATOM 2302 CA GLN A 135 -1.047 8.667 8.685 1.00 0.00 C ATOM 2303 C GLN A 135 -0.916 8.815 7.169 1.00 0.00 C ATOM 2304 O GLN A 135 -1.773 9.414 6.528 1.00 0.00 O ATOM 2305 CB GLN A 135 -2.137 7.603 9.008 1.00 0.00 C ATOM 2306 CG GLN A 135 -2.273 7.252 10.491 1.00 0.00 C ATOM 2307 CD GLN A 135 -0.986 6.697 11.100 1.00 0.00 C ATOM 2308 OE1 GLN A 135 -0.736 5.495 11.077 1.00 0.00 O ATOM 2309 NE2 GLN A 135 -0.164 7.573 11.650 1.00 0.00 N ATOM 0 H GLN A 135 -2.328 10.284 9.114 1.00 0.00 H new ATOM 0 HA GLN A 135 -0.093 8.336 9.095 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -3.098 7.967 8.646 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -1.911 6.692 8.453 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -2.573 8.143 11.042 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -3.070 6.519 10.612 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -0.402 8.565 11.652 1.00 0.00 H new ATOM 0 HE22 GLN A 135 0.709 7.258 12.073 1.00 0.00 H new ATOM 2318 N TYR A 136 0.159 8.258 6.606 1.00 0.00 N ATOM 2319 CA TYR A 136 0.341 8.177 5.148 1.00 0.00 C ATOM 2320 C TYR A 136 -0.571 7.097 4.557 1.00 0.00 C ATOM 2321 O TYR A 136 -0.289 5.902 4.668 1.00 0.00 O ATOM 2322 CB TYR A 136 1.829 7.934 4.765 1.00 0.00 C ATOM 2323 CG TYR A 136 2.674 9.216 4.788 1.00 0.00 C ATOM 2324 CD1 TYR A 136 2.294 10.317 4.013 1.00 0.00 C ATOM 2325 CD2 TYR A 136 3.833 9.336 5.561 1.00 0.00 C ATOM 2326 CE1 TYR A 136 3.031 11.477 4.011 1.00 0.00 C ATOM 2327 CE2 TYR A 136 4.571 10.506 5.559 1.00 0.00 C ATOM 2328 CZ TYR A 136 4.163 11.569 4.781 1.00 0.00 C ATOM 2329 OH TYR A 136 4.898 12.722 4.758 1.00 0.00 O ATOM 0 H TYR A 136 0.926 7.851 7.141 1.00 0.00 H new ATOM 0 HA TYR A 136 0.058 9.139 4.720 1.00 0.00 H new ATOM 0 HB2 TYR A 136 2.261 7.209 5.454 1.00 0.00 H new ATOM 0 HB3 TYR A 136 1.874 7.494 3.769 1.00 0.00 H new ATOM 0 HD1 TYR A 136 1.404 10.254 3.404 1.00 0.00 H new ATOM 0 HD2 TYR A 136 4.157 8.503 6.168 1.00 0.00 H new ATOM 0 HE1 TYR A 136 2.720 12.315 3.404 1.00 0.00 H new ATOM 0 HE2 TYR A 136 5.462 10.587 6.164 1.00 0.00 H new ATOM 0 HH TYR A 136 5.528 12.694 4.008 1.00 0.00 H new ATOM 2339 N LEU A 137 -1.677 7.548 3.958 1.00 0.00 N ATOM 2340 CA LEU A 137 -2.632 6.684 3.261 1.00 0.00 C ATOM 2341 C LEU A 137 -1.947 6.193 1.961 1.00 0.00 C ATOM 2342 O LEU A 137 -1.563 7.012 1.127 1.00 0.00 O ATOM 2343 CB LEU A 137 -3.941 7.492 2.953 1.00 0.00 C ATOM 2344 CG LEU A 137 -5.304 6.712 2.943 1.00 0.00 C ATOM 2345 CD1 LEU A 137 -6.461 7.652 2.540 1.00 0.00 C ATOM 2346 CD2 LEU A 137 -5.276 5.446 2.051 1.00 0.00 C ATOM 0 H LEU A 137 -1.937 8.534 3.944 1.00 0.00 H new ATOM 0 HA LEU A 137 -2.915 5.826 3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -4.020 8.293 3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -3.820 7.965 1.978 1.00 0.00 H new ATOM 0 HG LEU A 137 -5.472 6.359 3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -7.398 7.095 2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -6.528 8.473 3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -6.275 8.052 1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -6.248 4.953 2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -5.052 5.730 1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -4.508 4.762 2.414 1.00 0.00 H new ATOM 2358 N ARG A 138 -1.756 4.872 1.818 1.00 0.00 N ATOM 2359 CA ARG A 138 -1.180 4.268 0.594 1.00 0.00 C ATOM 2360 C ARG A 138 -2.173 3.244 0.030 1.00 0.00 C ATOM 2361 O ARG A 138 -2.643 2.375 0.767 1.00 0.00 O ATOM 2362 CB ARG A 138 0.242 3.636 0.851 1.00 0.00 C ATOM 2363 CG ARG A 138 0.322 2.319 1.669 1.00 0.00 C ATOM 2364 CD ARG A 138 -0.011 2.483 3.165 1.00 0.00 C ATOM 2365 NE ARG A 138 0.971 3.321 3.883 1.00 0.00 N ATOM 2366 CZ ARG A 138 1.243 3.249 5.199 1.00 0.00 C ATOM 2367 NH1 ARG A 138 0.662 2.338 5.978 1.00 0.00 N ATOM 2368 NH2 ARG A 138 2.118 4.092 5.729 1.00 0.00 N ATOM 0 H ARG A 138 -1.993 4.191 2.540 1.00 0.00 H new ATOM 0 HA ARG A 138 -1.020 5.053 -0.145 1.00 0.00 H new ATOM 0 HB2 ARG A 138 0.706 3.455 -0.119 1.00 0.00 H new ATOM 0 HB3 ARG A 138 0.851 4.382 1.361 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -0.363 1.592 1.233 1.00 0.00 H new ATOM 0 HG3 ARG A 138 1.327 1.907 1.575 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -1.002 2.926 3.265 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -0.053 1.499 3.633 1.00 0.00 H new ATOM 0 HE ARG A 138 1.485 4.011 3.336 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -0.004 1.676 5.579 1.00 0.00 H new ATOM 0 HH12 ARG A 138 0.883 2.302 6.973 1.00 0.00 H new ATOM 0 HH21 ARG A 138 2.578 4.787 5.140 1.00 0.00 H new ATOM 0 HH22 ARG A 138 2.331 4.046 6.725 1.00 0.00 H new ATOM 2382 N GLU A 139 -2.524 3.359 -1.267 1.00 0.00 N ATOM 2383 CA GLU A 139 -3.556 2.500 -1.867 1.00 0.00 C ATOM 2384 C GLU A 139 -3.196 2.194 -3.343 1.00 0.00 C ATOM 2385 O GLU A 139 -3.644 2.914 -4.262 1.00 0.00 O ATOM 2386 CB GLU A 139 -4.955 3.179 -1.713 1.00 0.00 C ATOM 2387 CG GLU A 139 -6.150 2.325 -2.172 1.00 0.00 C ATOM 2388 CD GLU A 139 -6.337 1.031 -1.358 1.00 0.00 C ATOM 2389 OE1 GLU A 139 -6.989 1.071 -0.291 1.00 0.00 O ATOM 2390 OE2 GLU A 139 -5.835 -0.039 -1.776 1.00 0.00 O ATOM 2391 OXT GLU A 139 -2.418 1.250 -3.568 1.00 0.00 O ATOM 0 H GLU A 139 -2.110 4.033 -1.911 1.00 0.00 H new ATOM 0 HA GLU A 139 -3.601 1.543 -1.347 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -5.099 3.444 -0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -4.954 4.110 -2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -7.059 2.922 -2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -6.018 2.067 -3.223 1.00 0.00 H new