USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 14 LYS NZ :NH3+ 164:sc= 1.25 (180deg=1.13) USER MOD Single : A 18 GLN : amide:sc= -0.995 K(o=-0.99,f=-3.4!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 179:sc= 0.58 USER MOD Single : A 87 ASN : amide:sc= -0.0845 X(o=-0.084,f=-0.019) USER MOD Single : A 88 SER OG : rot -122:sc= 0.33 USER MOD Single : A 102 THR OG1 : rot 103:sc= 1.02 USER MOD Single : A 109 THR OG1 : rot 145:sc= 1.01 USER MOD Single : A 110 TYR OH : rot -113:sc= 0.866 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 160:sc= -0.0974 (180deg=-0.642) USER MOD Single : A 138 MET CE :methyl -110:sc= -2.19! (180deg=-4.67!) USER MOD Single : A 141 LYS NZ :NH3+ 131:sc= 1.23 (180deg=0.764) USER MOD Single : A 144 GLN : amide:sc= -1.42 K(o=-1.4,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 -0.873 4.085 14.118 1.00 73.10 N ATOM 57 CA VAL A 5 -1.265 2.825 13.528 1.00 24.14 C ATOM 58 C VAL A 5 -2.497 3.018 12.659 1.00 41.15 C ATOM 59 O VAL A 5 -3.597 3.235 13.164 1.00 23.13 O ATOM 60 CB VAL A 5 -1.551 1.780 14.624 1.00 15.22 C ATOM 61 CG1 VAL A 5 -1.991 0.453 14.018 1.00 62.31 C ATOM 62 CG2 VAL A 5 -0.334 1.588 15.519 1.00 22.34 C ATOM 0 HA VAL A 5 -0.445 2.462 12.908 1.00 24.14 H new ATOM 0 HB VAL A 5 -2.370 2.155 15.237 1.00 15.22 H new ATOM 0 HG11 VAL A 5 -2.186 -0.264 14.815 1.00 62.31 H new ATOM 0 HG12 VAL A 5 -2.900 0.603 13.435 1.00 62.31 H new ATOM 0 HG13 VAL A 5 -1.203 0.070 13.370 1.00 62.31 H new ATOM 0 HG21 VAL A 5 -0.559 0.846 16.285 1.00 22.34 H new ATOM 0 HG22 VAL A 5 0.509 1.245 14.919 1.00 22.34 H new ATOM 0 HG23 VAL A 5 -0.079 2.535 15.995 1.00 22.34 H new ATOM 72 N VAL A 6 -2.305 2.969 11.353 1.00 64.02 N ATOM 73 CA VAL A 6 -3.401 3.168 10.423 1.00 45.43 C ATOM 74 C VAL A 6 -3.683 1.894 9.642 1.00 12.53 C ATOM 75 O VAL A 6 -2.771 1.141 9.299 1.00 1.31 O ATOM 76 CB VAL A 6 -3.128 4.328 9.436 1.00 60.01 C ATOM 77 CG1 VAL A 6 -3.021 5.653 10.181 1.00 65.52 C ATOM 78 CG2 VAL A 6 -1.870 4.067 8.619 1.00 14.01 C ATOM 0 H VAL A 6 -1.402 2.793 10.913 1.00 64.02 H new ATOM 0 HA VAL A 6 -4.274 3.431 11.020 1.00 45.43 H new ATOM 0 HB VAL A 6 -3.970 4.388 8.746 1.00 60.01 H new ATOM 0 HG11 VAL A 6 -2.829 6.456 9.469 1.00 65.52 H new ATOM 0 HG12 VAL A 6 -3.955 5.851 10.708 1.00 65.52 H new ATOM 0 HG13 VAL A 6 -2.203 5.601 10.899 1.00 65.52 H new ATOM 0 HG21 VAL A 6 -1.702 4.898 7.934 1.00 14.01 H new ATOM 0 HG22 VAL A 6 -1.015 3.970 9.288 1.00 14.01 H new ATOM 0 HG23 VAL A 6 -1.991 3.146 8.049 1.00 14.01 H new ATOM 88 N ARG A 7 -4.952 1.645 9.394 1.00 51.21 N ATOM 89 CA ARG A 7 -5.370 0.522 8.581 1.00 75.33 C ATOM 90 C ARG A 7 -6.451 0.979 7.625 1.00 73.34 C ATOM 91 O ARG A 7 -7.567 1.282 8.044 1.00 43.30 O ATOM 92 CB ARG A 7 -5.908 -0.618 9.449 1.00 10.24 C ATOM 93 CG ARG A 7 -6.279 -1.856 8.649 1.00 3.31 C ATOM 94 CD ARG A 7 -7.087 -2.841 9.477 1.00 40.04 C ATOM 95 NE ARG A 7 -8.426 -2.332 9.776 1.00 2.03 N ATOM 96 CZ ARG A 7 -9.232 -2.842 10.708 1.00 14.12 C ATOM 97 NH1 ARG A 7 -8.848 -3.886 11.434 1.00 43.54 N ATOM 98 NH2 ARG A 7 -10.432 -2.311 10.902 1.00 1.12 N ATOM 0 H ARG A 7 -5.721 2.214 9.749 1.00 51.21 H new ATOM 0 HA ARG A 7 -4.506 0.152 8.028 1.00 75.33 H new ATOM 0 HB2 ARG A 7 -5.157 -0.885 10.193 1.00 10.24 H new ATOM 0 HB3 ARG A 7 -6.785 -0.269 9.993 1.00 10.24 H new ATOM 0 HG2 ARG A 7 -6.853 -1.562 7.770 1.00 3.31 H new ATOM 0 HG3 ARG A 7 -5.372 -2.342 8.289 1.00 3.31 H new ATOM 0 HD2 ARG A 7 -7.169 -3.786 8.939 1.00 40.04 H new ATOM 0 HD3 ARG A 7 -6.561 -3.049 10.409 1.00 40.04 H new ATOM 0 HE ARG A 7 -8.765 -1.535 9.237 1.00 2.03 H new ATOM 0 HH11 ARG A 7 -7.930 -4.304 11.281 1.00 43.54 H new ATOM 0 HH12 ARG A 7 -9.471 -4.270 12.145 1.00 43.54 H new ATOM 0 HH21 ARG A 7 -10.735 -1.516 10.339 1.00 1.12 H new ATOM 0 HH22 ARG A 7 -11.052 -2.698 11.614 1.00 1.12 H new ATOM 112 N ASP A 8 -6.124 1.048 6.351 1.00 63.31 N ATOM 113 CA ASP A 8 -7.090 1.468 5.363 1.00 2.24 C ATOM 114 C ASP A 8 -6.929 0.618 4.115 1.00 61.34 C ATOM 115 O ASP A 8 -5.980 -0.164 4.011 1.00 34.34 O ATOM 116 CB ASP A 8 -6.913 2.952 5.041 1.00 64.14 C ATOM 117 CG ASP A 8 -8.229 3.631 4.733 1.00 61.34 C ATOM 118 OD1 ASP A 8 -8.756 3.440 3.621 1.00 71.10 O ATOM 119 OD2 ASP A 8 -8.749 4.353 5.612 1.00 52.22 O ATOM 0 H ASP A 8 -5.202 0.820 5.979 1.00 63.31 H new ATOM 0 HA ASP A 8 -8.097 1.332 5.757 1.00 2.24 H new ATOM 0 HB2 ASP A 8 -6.438 3.451 5.885 1.00 64.14 H new ATOM 0 HB3 ASP A 8 -6.242 3.060 4.188 1.00 64.14 H new ATOM 124 N ALA A 9 -7.846 0.759 3.180 1.00 3.32 N ATOM 125 CA ALA A 9 -7.846 -0.075 1.993 1.00 44.24 C ATOM 126 C ALA A 9 -8.254 0.730 0.777 1.00 14.52 C ATOM 127 O ALA A 9 -9.352 1.291 0.729 1.00 65.34 O ATOM 128 CB ALA A 9 -8.779 -1.257 2.186 1.00 2.32 C ATOM 0 H ALA A 9 -8.602 1.443 3.218 1.00 3.32 H new ATOM 0 HA ALA A 9 -6.836 -0.450 1.830 1.00 44.24 H new ATOM 0 HB1 ALA A 9 -8.772 -1.877 1.289 1.00 2.32 H new ATOM 0 HB2 ALA A 9 -8.445 -1.849 3.039 1.00 2.32 H new ATOM 0 HB3 ALA A 9 -9.791 -0.896 2.369 1.00 2.32 H new ATOM 134 N VAL A 10 -7.371 0.789 -0.205 1.00 11.20 N ATOM 135 CA VAL A 10 -7.643 1.542 -1.411 1.00 35.23 C ATOM 136 C VAL A 10 -8.037 0.600 -2.541 1.00 1.10 C ATOM 137 O VAL A 10 -7.407 -0.439 -2.749 1.00 24.34 O ATOM 138 CB VAL A 10 -6.438 2.416 -1.827 1.00 13.40 C ATOM 139 CG1 VAL A 10 -6.276 3.588 -0.868 1.00 54.23 C ATOM 140 CG2 VAL A 10 -5.155 1.600 -1.869 1.00 24.33 C ATOM 0 H VAL A 10 -6.463 0.325 -0.189 1.00 11.20 H new ATOM 0 HA VAL A 10 -8.475 2.215 -1.202 1.00 35.23 H new ATOM 0 HB VAL A 10 -6.634 2.798 -2.829 1.00 13.40 H new ATOM 0 HG11 VAL A 10 -5.423 4.194 -1.175 1.00 54.23 H new ATOM 0 HG12 VAL A 10 -7.179 4.198 -0.883 1.00 54.23 H new ATOM 0 HG13 VAL A 10 -6.110 3.212 0.141 1.00 54.23 H new ATOM 0 HG21 VAL A 10 -4.325 2.242 -2.165 1.00 24.33 H new ATOM 0 HG22 VAL A 10 -4.957 1.182 -0.882 1.00 24.33 H new ATOM 0 HG23 VAL A 10 -5.262 0.790 -2.591 1.00 24.33 H new ATOM 150 N THR A 11 -9.101 0.948 -3.247 1.00 63.41 N ATOM 151 CA THR A 11 -9.594 0.139 -4.333 1.00 11.40 C ATOM 152 C THR A 11 -8.840 0.464 -5.619 1.00 34.52 C ATOM 153 O THR A 11 -9.082 1.492 -6.257 1.00 45.04 O ATOM 154 CB THR A 11 -11.104 0.365 -4.517 1.00 72.34 C ATOM 155 OG1 THR A 11 -11.514 1.550 -3.813 1.00 25.34 O ATOM 156 CG2 THR A 11 -11.899 -0.822 -4.005 1.00 32.32 C ATOM 0 H THR A 11 -9.640 1.797 -3.079 1.00 63.41 H new ATOM 0 HA THR A 11 -9.428 -0.912 -4.095 1.00 11.40 H new ATOM 0 HB THR A 11 -11.299 0.483 -5.583 1.00 72.34 H new ATOM 0 HG1 THR A 11 -12.476 1.688 -3.937 1.00 25.34 H new ATOM 0 HG21 THR A 11 -12.963 -0.636 -4.147 1.00 32.32 H new ATOM 0 HG22 THR A 11 -11.611 -1.718 -4.555 1.00 32.32 H new ATOM 0 HG23 THR A 11 -11.695 -0.966 -2.944 1.00 32.32 H new ATOM 164 N ILE A 12 -7.909 -0.406 -5.975 1.00 23.21 N ATOM 165 CA ILE A 12 -6.998 -0.153 -7.079 1.00 11.11 C ATOM 166 C ILE A 12 -7.339 -1.021 -8.289 1.00 53.21 C ATOM 167 O ILE A 12 -7.638 -2.206 -8.147 1.00 43.15 O ATOM 168 CB ILE A 12 -5.541 -0.421 -6.648 1.00 41.54 C ATOM 169 CG1 ILE A 12 -5.220 0.330 -5.356 1.00 40.34 C ATOM 170 CG2 ILE A 12 -4.582 0.001 -7.739 1.00 11.12 C ATOM 171 CD1 ILE A 12 -5.321 1.835 -5.487 1.00 72.23 C ATOM 0 H ILE A 12 -7.764 -1.302 -5.510 1.00 23.21 H new ATOM 0 HA ILE A 12 -7.106 0.894 -7.361 1.00 11.11 H new ATOM 0 HB ILE A 12 -5.427 -1.491 -6.472 1.00 41.54 H new ATOM 0 HG12 ILE A 12 -5.901 -0.004 -4.573 1.00 40.34 H new ATOM 0 HG13 ILE A 12 -4.212 0.069 -5.035 1.00 40.34 H new ATOM 0 HG21 ILE A 12 -3.558 -0.195 -7.419 1.00 11.12 H new ATOM 0 HG22 ILE A 12 -4.793 -0.564 -8.647 1.00 11.12 H new ATOM 0 HG23 ILE A 12 -4.703 1.066 -7.938 1.00 11.12 H new ATOM 0 HD11 ILE A 12 -5.080 2.300 -4.531 1.00 72.23 H new ATOM 0 HD12 ILE A 12 -4.621 2.182 -6.247 1.00 72.23 H new ATOM 0 HD13 ILE A 12 -6.336 2.108 -5.777 1.00 72.23 H new ATOM 183 N GLY A 13 -7.267 -0.429 -9.480 1.00 20.35 N ATOM 184 CA GLY A 13 -7.644 -1.130 -10.698 1.00 74.34 C ATOM 185 C GLY A 13 -6.518 -1.961 -11.294 1.00 25.03 C ATOM 186 O GLY A 13 -6.341 -1.993 -12.510 1.00 12.44 O ATOM 0 H GLY A 13 -6.952 0.530 -9.624 1.00 20.35 H new ATOM 0 HA2 GLY A 13 -8.492 -1.781 -10.485 1.00 74.34 H new ATOM 0 HA3 GLY A 13 -7.979 -0.403 -11.438 1.00 74.34 H new ATOM 190 N LYS A 14 -5.751 -2.622 -10.440 1.00 53.23 N ATOM 191 CA LYS A 14 -4.705 -3.540 -10.883 1.00 13.12 C ATOM 192 C LYS A 14 -5.103 -4.972 -10.522 1.00 61.23 C ATOM 193 O LYS A 14 -5.789 -5.186 -9.522 1.00 74.54 O ATOM 194 CB LYS A 14 -3.353 -3.188 -10.243 1.00 60.14 C ATOM 195 CG LYS A 14 -2.239 -2.807 -11.224 1.00 21.03 C ATOM 196 CD LYS A 14 -2.386 -1.408 -11.820 1.00 32.14 C ATOM 197 CE LYS A 14 -3.438 -1.351 -12.918 1.00 33.40 C ATOM 198 NZ LYS A 14 -3.405 -0.062 -13.660 1.00 1.54 N ATOM 0 H LYS A 14 -5.833 -2.540 -9.427 1.00 53.23 H new ATOM 0 HA LYS A 14 -4.596 -3.451 -11.964 1.00 13.12 H new ATOM 0 HB2 LYS A 14 -3.503 -2.359 -9.551 1.00 60.14 H new ATOM 0 HB3 LYS A 14 -3.017 -4.040 -9.652 1.00 60.14 H new ATOM 0 HG2 LYS A 14 -1.279 -2.873 -10.711 1.00 21.03 H new ATOM 0 HG3 LYS A 14 -2.218 -3.535 -12.035 1.00 21.03 H new ATOM 0 HD2 LYS A 14 -2.652 -0.706 -11.030 1.00 32.14 H new ATOM 0 HD3 LYS A 14 -1.426 -1.086 -12.224 1.00 32.14 H new ATOM 0 HE2 LYS A 14 -3.279 -2.174 -13.615 1.00 33.40 H new ATOM 0 HE3 LYS A 14 -4.426 -1.491 -12.480 1.00 33.40 H new ATOM 0 HZ1 LYS A 14 -3.932 -0.161 -14.551 1.00 1.54 H new ATOM 0 HZ2 LYS A 14 -3.841 0.683 -13.080 1.00 1.54 H new ATOM 0 HZ3 LYS A 14 -2.419 0.194 -13.868 1.00 1.54 H new ATOM 212 N PRO A 15 -4.684 -5.965 -11.333 1.00 4.40 N ATOM 213 CA PRO A 15 -5.097 -7.371 -11.162 1.00 63.10 C ATOM 214 C PRO A 15 -4.915 -7.905 -9.738 1.00 44.25 C ATOM 215 O PRO A 15 -5.882 -8.367 -9.136 1.00 55.21 O ATOM 216 CB PRO A 15 -4.181 -8.119 -12.129 1.00 72.45 C ATOM 217 CG PRO A 15 -3.879 -7.125 -13.193 1.00 63.12 C ATOM 218 CD PRO A 15 -3.794 -5.797 -12.498 1.00 4.22 C ATOM 0 HA PRO A 15 -6.163 -7.493 -11.355 1.00 63.10 H new ATOM 0 HB2 PRO A 15 -3.272 -8.459 -11.633 1.00 72.45 H new ATOM 0 HB3 PRO A 15 -4.671 -9.003 -12.538 1.00 72.45 H new ATOM 0 HG2 PRO A 15 -2.942 -7.364 -13.697 1.00 63.12 H new ATOM 0 HG3 PRO A 15 -4.658 -7.119 -13.955 1.00 63.12 H new ATOM 0 HD2 PRO A 15 -2.773 -5.567 -12.194 1.00 4.22 H new ATOM 0 HD3 PRO A 15 -4.125 -4.983 -13.143 1.00 4.22 H new ATOM 226 N ALA A 16 -3.676 -7.853 -9.224 1.00 34.45 N ATOM 227 CA ALA A 16 -3.369 -8.221 -7.829 1.00 73.02 C ATOM 228 C ALA A 16 -1.866 -8.229 -7.590 1.00 61.23 C ATOM 229 O ALA A 16 -1.347 -7.440 -6.810 1.00 73.33 O ATOM 230 CB ALA A 16 -3.952 -9.579 -7.451 1.00 55.52 C ATOM 0 H ALA A 16 -2.860 -7.556 -9.760 1.00 34.45 H new ATOM 0 HA ALA A 16 -3.834 -7.465 -7.196 1.00 73.02 H new ATOM 0 HB1 ALA A 16 -3.700 -9.807 -6.415 1.00 55.52 H new ATOM 0 HB2 ALA A 16 -5.036 -9.554 -7.564 1.00 55.52 H new ATOM 0 HB3 ALA A 16 -3.537 -10.347 -8.103 1.00 55.52 H new ATOM 236 N GLU A 17 -1.172 -9.120 -8.286 1.00 73.24 N ATOM 237 CA GLU A 17 0.262 -9.304 -8.094 1.00 72.13 C ATOM 238 C GLU A 17 1.025 -8.048 -8.503 1.00 31.23 C ATOM 239 O GLU A 17 2.023 -7.681 -7.882 1.00 42.31 O ATOM 240 CB GLU A 17 0.736 -10.518 -8.900 1.00 44.13 C ATOM 241 CG GLU A 17 2.188 -10.903 -8.659 1.00 21.10 C ATOM 242 CD GLU A 17 3.093 -10.569 -9.828 1.00 42.52 C ATOM 243 OE1 GLU A 17 3.023 -11.274 -10.858 1.00 15.52 O ATOM 244 OE2 GLU A 17 3.892 -9.618 -9.720 1.00 22.44 O ATOM 0 H GLU A 17 -1.581 -9.731 -8.993 1.00 73.24 H new ATOM 0 HA GLU A 17 0.460 -9.484 -7.037 1.00 72.13 H new ATOM 0 HB2 GLU A 17 0.102 -11.370 -8.657 1.00 44.13 H new ATOM 0 HB3 GLU A 17 0.599 -10.311 -9.961 1.00 44.13 H new ATOM 0 HG2 GLU A 17 2.551 -10.390 -7.768 1.00 21.10 H new ATOM 0 HG3 GLU A 17 2.245 -11.973 -8.457 1.00 21.10 H new ATOM 251 N GLN A 18 0.523 -7.371 -9.532 1.00 45.14 N ATOM 252 CA GLN A 18 1.127 -6.128 -10.012 1.00 51.23 C ATOM 253 C GLN A 18 1.067 -5.035 -8.944 1.00 60.34 C ATOM 254 O GLN A 18 1.766 -4.027 -9.034 1.00 50.33 O ATOM 255 CB GLN A 18 0.430 -5.637 -11.287 1.00 14.14 C ATOM 256 CG GLN A 18 0.805 -6.399 -12.554 1.00 50.11 C ATOM 257 CD GLN A 18 0.278 -7.823 -12.582 1.00 11.24 C ATOM 258 OE1 GLN A 18 -0.840 -8.071 -13.027 1.00 32.44 O ATOM 259 NE2 GLN A 18 1.084 -8.767 -12.128 1.00 25.23 N ATOM 0 H GLN A 18 -0.304 -7.663 -10.053 1.00 45.14 H new ATOM 0 HA GLN A 18 2.172 -6.341 -10.237 1.00 51.23 H new ATOM 0 HB2 GLN A 18 -0.648 -5.706 -11.144 1.00 14.14 H new ATOM 0 HB3 GLN A 18 0.666 -4.583 -11.430 1.00 14.14 H new ATOM 0 HG2 GLN A 18 0.420 -5.860 -13.420 1.00 50.11 H new ATOM 0 HG3 GLN A 18 1.891 -6.420 -12.648 1.00 50.11 H new ATOM 0 HE21 GLN A 18 2.005 -8.520 -11.766 1.00 25.23 H new ATOM 0 HE22 GLN A 18 0.785 -9.742 -12.139 1.00 25.23 H new ATOM 268 N LEU A 19 0.234 -5.241 -7.932 1.00 21.30 N ATOM 269 CA LEU A 19 0.089 -4.279 -6.854 1.00 44.14 C ATOM 270 C LEU A 19 1.280 -4.324 -5.907 1.00 70.14 C ATOM 271 O LEU A 19 1.569 -3.342 -5.232 1.00 50.21 O ATOM 272 CB LEU A 19 -1.208 -4.540 -6.090 1.00 44.44 C ATOM 273 CG LEU A 19 -2.480 -4.131 -6.825 1.00 1.51 C ATOM 274 CD1 LEU A 19 -3.710 -4.557 -6.045 1.00 32.13 C ATOM 275 CD2 LEU A 19 -2.483 -2.632 -7.045 1.00 35.33 C ATOM 0 H LEU A 19 -0.353 -6.070 -7.838 1.00 21.30 H new ATOM 0 HA LEU A 19 0.051 -3.282 -7.293 1.00 44.14 H new ATOM 0 HB2 LEU A 19 -1.267 -5.603 -5.856 1.00 44.44 H new ATOM 0 HB3 LEU A 19 -1.167 -4.006 -5.141 1.00 44.44 H new ATOM 0 HG LEU A 19 -2.505 -4.632 -7.793 1.00 1.51 H new ATOM 0 HD11 LEU A 19 -4.607 -4.256 -6.587 1.00 32.13 H new ATOM 0 HD12 LEU A 19 -3.706 -5.640 -5.923 1.00 32.13 H new ATOM 0 HD13 LEU A 19 -3.702 -4.082 -5.064 1.00 32.13 H new ATOM 0 HD21 LEU A 19 -3.393 -2.343 -7.570 1.00 35.33 H new ATOM 0 HD22 LEU A 19 -2.443 -2.123 -6.082 1.00 35.33 H new ATOM 0 HD23 LEU A 19 -1.615 -2.350 -7.641 1.00 35.33 H new ATOM 287 N TYR A 20 1.976 -5.456 -5.865 1.00 42.34 N ATOM 288 CA TYR A 20 3.170 -5.578 -5.038 1.00 30.10 C ATOM 289 C TYR A 20 4.316 -4.769 -5.638 1.00 15.34 C ATOM 290 O TYR A 20 5.199 -4.287 -4.925 1.00 42.14 O ATOM 291 CB TYR A 20 3.579 -7.046 -4.884 1.00 70.31 C ATOM 292 CG TYR A 20 4.861 -7.239 -4.100 1.00 42.22 C ATOM 293 CD1 TYR A 20 4.961 -6.812 -2.781 1.00 33.21 C ATOM 294 CD2 TYR A 20 5.971 -7.834 -4.682 1.00 44.34 C ATOM 295 CE1 TYR A 20 6.132 -6.976 -2.066 1.00 14.11 C ATOM 296 CE2 TYR A 20 7.145 -8.001 -3.973 1.00 42.31 C ATOM 297 CZ TYR A 20 7.221 -7.571 -2.665 1.00 61.31 C ATOM 298 OH TYR A 20 8.387 -7.737 -1.952 1.00 51.23 O ATOM 0 H TYR A 20 1.735 -6.296 -6.391 1.00 42.34 H new ATOM 0 HA TYR A 20 2.941 -5.182 -4.049 1.00 30.10 H new ATOM 0 HB2 TYR A 20 2.774 -7.589 -4.388 1.00 70.31 H new ATOM 0 HB3 TYR A 20 3.698 -7.487 -5.874 1.00 70.31 H new ATOM 0 HD1 TYR A 20 4.110 -6.345 -2.308 1.00 33.21 H new ATOM 0 HD2 TYR A 20 5.916 -8.172 -5.706 1.00 44.34 H new ATOM 0 HE1 TYR A 20 6.193 -6.639 -1.042 1.00 14.11 H new ATOM 0 HE2 TYR A 20 8.000 -8.466 -4.441 1.00 42.31 H new ATOM 0 HH TYR A 20 9.057 -8.173 -2.518 1.00 51.23 H new ATOM 308 N ALA A 21 4.275 -4.595 -6.954 1.00 53.30 N ATOM 309 CA ALA A 21 5.316 -3.870 -7.670 1.00 31.14 C ATOM 310 C ALA A 21 5.285 -2.377 -7.344 1.00 31.53 C ATOM 311 O ALA A 21 6.179 -1.627 -7.746 1.00 43.45 O ATOM 312 CB ALA A 21 5.175 -4.090 -9.167 1.00 12.33 C ATOM 0 H ALA A 21 3.526 -4.949 -7.549 1.00 53.30 H new ATOM 0 HA ALA A 21 6.280 -4.259 -7.343 1.00 31.14 H new ATOM 0 HB1 ALA A 21 5.959 -3.543 -9.691 1.00 12.33 H new ATOM 0 HB2 ALA A 21 5.265 -5.153 -9.389 1.00 12.33 H new ATOM 0 HB3 ALA A 21 4.200 -3.732 -9.497 1.00 12.33 H new ATOM 318 N VAL A 22 4.261 -1.953 -6.605 1.00 31.24 N ATOM 319 CA VAL A 22 4.136 -0.559 -6.184 1.00 53.02 C ATOM 320 C VAL A 22 5.301 -0.173 -5.261 1.00 12.41 C ATOM 321 O VAL A 22 5.636 1.001 -5.127 1.00 24.13 O ATOM 322 CB VAL A 22 2.787 -0.292 -5.459 1.00 20.43 C ATOM 323 CG1 VAL A 22 2.793 -0.865 -4.049 1.00 3.51 C ATOM 324 CG2 VAL A 22 2.482 1.198 -5.437 1.00 64.54 C ATOM 0 H VAL A 22 3.504 -2.557 -6.285 1.00 31.24 H new ATOM 0 HA VAL A 22 4.163 0.054 -7.085 1.00 53.02 H new ATOM 0 HB VAL A 22 1.999 -0.798 -6.016 1.00 20.43 H new ATOM 0 HG11 VAL A 22 1.836 -0.661 -3.569 1.00 3.51 H new ATOM 0 HG12 VAL A 22 2.954 -1.942 -4.095 1.00 3.51 H new ATOM 0 HG13 VAL A 22 3.594 -0.403 -3.472 1.00 3.51 H new ATOM 0 HG21 VAL A 22 1.534 1.368 -4.926 1.00 64.54 H new ATOM 0 HG22 VAL A 22 3.278 1.725 -4.910 1.00 64.54 H new ATOM 0 HG23 VAL A 22 2.415 1.571 -6.459 1.00 64.54 H new ATOM 334 N TRP A 23 5.914 -1.185 -4.642 1.00 64.51 N ATOM 335 CA TRP A 23 7.040 -0.984 -3.731 1.00 62.31 C ATOM 336 C TRP A 23 8.214 -0.315 -4.444 1.00 2.23 C ATOM 337 O TRP A 23 8.975 0.435 -3.838 1.00 23.32 O ATOM 338 CB TRP A 23 7.469 -2.335 -3.141 1.00 33.05 C ATOM 339 CG TRP A 23 8.676 -2.262 -2.251 1.00 4.33 C ATOM 340 CD1 TRP A 23 8.762 -1.656 -1.031 1.00 75.03 C ATOM 341 CD2 TRP A 23 9.967 -2.829 -2.508 1.00 65.23 C ATOM 342 NE1 TRP A 23 10.030 -1.800 -0.521 1.00 51.14 N ATOM 343 CE2 TRP A 23 10.786 -2.515 -1.408 1.00 1.05 C ATOM 344 CE3 TRP A 23 10.508 -3.565 -3.562 1.00 32.42 C ATOM 345 CZ2 TRP A 23 12.118 -2.912 -1.334 1.00 72.42 C ATOM 346 CZ3 TRP A 23 11.831 -3.961 -3.487 1.00 13.22 C ATOM 347 CH2 TRP A 23 12.622 -3.633 -2.380 1.00 23.45 C ATOM 0 H TRP A 23 5.644 -2.162 -4.758 1.00 64.51 H new ATOM 0 HA TRP A 23 6.723 -0.322 -2.925 1.00 62.31 H new ATOM 0 HB2 TRP A 23 6.637 -2.751 -2.573 1.00 33.05 H new ATOM 0 HB3 TRP A 23 7.675 -3.027 -3.958 1.00 33.05 H new ATOM 0 HD1 TRP A 23 7.952 -1.139 -0.538 1.00 75.03 H new ATOM 0 HE1 TRP A 23 10.354 -1.433 0.374 1.00 51.14 H new ATOM 0 HE3 TRP A 23 9.905 -3.821 -4.421 1.00 32.42 H new ATOM 0 HZ2 TRP A 23 12.731 -2.660 -0.481 1.00 72.42 H new ATOM 0 HZ3 TRP A 23 12.261 -4.533 -4.296 1.00 13.22 H new ATOM 0 HH2 TRP A 23 13.652 -3.956 -2.352 1.00 23.45 H new ATOM 358 N ARG A 24 8.350 -0.586 -5.735 1.00 51.32 N ATOM 359 CA ARG A 24 9.422 0.005 -6.520 1.00 11.20 C ATOM 360 C ARG A 24 8.930 1.266 -7.227 1.00 3.44 C ATOM 361 O ARG A 24 9.234 2.379 -6.802 1.00 35.43 O ATOM 362 CB ARG A 24 9.979 -1.012 -7.523 1.00 5.44 C ATOM 363 CG ARG A 24 10.573 -2.241 -6.851 1.00 15.05 C ATOM 364 CD ARG A 24 11.273 -3.161 -7.839 1.00 24.40 C ATOM 365 NE ARG A 24 10.340 -3.822 -8.754 1.00 62.25 N ATOM 366 CZ ARG A 24 10.348 -5.137 -9.001 1.00 32.52 C ATOM 367 NH1 ARG A 24 11.164 -5.943 -8.326 1.00 3.30 N ATOM 368 NH2 ARG A 24 9.527 -5.648 -9.910 1.00 11.54 N ATOM 0 H ARG A 24 7.734 -1.208 -6.258 1.00 51.32 H new ATOM 0 HA ARG A 24 10.232 0.289 -5.848 1.00 11.20 H new ATOM 0 HB2 ARG A 24 9.182 -1.323 -8.198 1.00 5.44 H new ATOM 0 HB3 ARG A 24 10.744 -0.532 -8.133 1.00 5.44 H new ATOM 0 HG2 ARG A 24 11.283 -1.926 -6.086 1.00 15.05 H new ATOM 0 HG3 ARG A 24 9.782 -2.792 -6.343 1.00 15.05 H new ATOM 0 HD2 ARG A 24 11.995 -2.585 -8.417 1.00 24.40 H new ATOM 0 HD3 ARG A 24 11.834 -3.917 -7.290 1.00 24.40 H new ATOM 0 HE ARG A 24 9.645 -3.247 -9.230 1.00 62.25 H new ATOM 0 HH11 ARG A 24 11.788 -5.559 -7.616 1.00 3.30 H new ATOM 0 HH12 ARG A 24 11.166 -6.945 -8.519 1.00 3.30 H new ATOM 0 HH21 ARG A 24 8.889 -5.038 -10.421 1.00 11.54 H new ATOM 0 HH22 ARG A 24 9.534 -6.651 -10.097 1.00 11.54 H new ATOM 382 N ASP A 25 8.170 1.084 -8.300 1.00 72.44 N ATOM 383 CA ASP A 25 7.557 2.200 -9.016 1.00 62.11 C ATOM 384 C ASP A 25 6.542 1.651 -10.010 1.00 34.54 C ATOM 385 O ASP A 25 6.529 2.026 -11.183 1.00 4.24 O ATOM 386 CB ASP A 25 8.625 3.034 -9.733 1.00 20.31 C ATOM 387 CG ASP A 25 8.132 4.422 -10.129 1.00 35.13 C ATOM 388 OD1 ASP A 25 7.771 5.217 -9.229 1.00 23.25 O ATOM 389 OD2 ASP A 25 8.139 4.746 -11.336 1.00 41.30 O ATOM 0 H ASP A 25 7.961 0.168 -8.697 1.00 72.44 H new ATOM 0 HA ASP A 25 7.050 2.854 -8.306 1.00 62.11 H new ATOM 0 HB2 ASP A 25 9.495 3.135 -9.084 1.00 20.31 H new ATOM 0 HB3 ASP A 25 8.954 2.503 -10.626 1.00 20.31 H new ATOM 394 N LEU A 26 5.690 0.753 -9.503 1.00 64.42 N ATOM 395 CA LEU A 26 4.657 0.081 -10.301 1.00 54.11 C ATOM 396 C LEU A 26 5.271 -0.872 -11.336 1.00 53.12 C ATOM 397 O LEU A 26 6.463 -0.798 -11.636 1.00 61.11 O ATOM 398 CB LEU A 26 3.769 1.124 -10.993 1.00 72.40 C ATOM 399 CG LEU A 26 3.168 2.176 -10.062 1.00 24.51 C ATOM 400 CD1 LEU A 26 2.598 3.329 -10.864 1.00 45.12 C ATOM 401 CD2 LEU A 26 2.089 1.556 -9.193 1.00 45.04 C ATOM 0 H LEU A 26 5.697 0.470 -8.523 1.00 64.42 H new ATOM 0 HA LEU A 26 4.047 -0.519 -9.625 1.00 54.11 H new ATOM 0 HB2 LEU A 26 4.357 1.631 -11.758 1.00 72.40 H new ATOM 0 HB3 LEU A 26 2.958 0.607 -11.505 1.00 72.40 H new ATOM 0 HG LEU A 26 3.959 2.559 -9.417 1.00 24.51 H new ATOM 0 HD11 LEU A 26 2.174 4.069 -10.186 1.00 45.12 H new ATOM 0 HD12 LEU A 26 3.391 3.789 -11.454 1.00 45.12 H new ATOM 0 HD13 LEU A 26 1.819 2.959 -11.530 1.00 45.12 H new ATOM 0 HD21 LEU A 26 1.670 2.317 -8.535 1.00 45.04 H new ATOM 0 HD22 LEU A 26 1.300 1.150 -9.826 1.00 45.04 H new ATOM 0 HD23 LEU A 26 2.521 0.755 -8.593 1.00 45.04 H new ATOM 413 N PRO A 27 4.473 -1.822 -11.854 1.00 74.44 N ATOM 414 CA PRO A 27 4.928 -2.753 -12.891 1.00 72.40 C ATOM 415 C PRO A 27 5.123 -2.054 -14.233 1.00 45.44 C ATOM 416 O PRO A 27 4.189 -1.467 -14.781 1.00 11.31 O ATOM 417 CB PRO A 27 3.796 -3.778 -12.975 1.00 25.33 C ATOM 418 CG PRO A 27 2.588 -3.047 -12.499 1.00 70.14 C ATOM 419 CD PRO A 27 3.072 -2.071 -11.466 1.00 53.32 C ATOM 0 HA PRO A 27 5.895 -3.196 -12.653 1.00 72.40 H new ATOM 0 HB2 PRO A 27 3.664 -4.139 -13.995 1.00 25.33 H new ATOM 0 HB3 PRO A 27 4.003 -4.649 -12.353 1.00 25.33 H new ATOM 0 HG2 PRO A 27 2.095 -2.530 -13.323 1.00 70.14 H new ATOM 0 HG3 PRO A 27 1.858 -3.736 -12.073 1.00 70.14 H new ATOM 0 HD2 PRO A 27 2.484 -1.153 -11.475 1.00 53.32 H new ATOM 0 HD3 PRO A 27 3.002 -2.484 -10.460 1.00 53.32 H new ATOM 998 N ALA A 64 17.050 -9.039 3.998 1.00 72.01 N ATOM 999 CA ALA A 64 15.611 -9.237 4.055 1.00 34.23 C ATOM 1000 C ALA A 64 15.273 -10.685 3.779 1.00 14.20 C ATOM 1001 O ALA A 64 16.071 -11.433 3.204 1.00 21.42 O ATOM 1002 CB ALA A 64 14.889 -8.320 3.081 1.00 33.13 C ATOM 0 HA ALA A 64 15.272 -8.983 5.059 1.00 34.23 H new ATOM 0 HB1 ALA A 64 13.815 -8.492 3.147 1.00 33.13 H new ATOM 0 HB2 ALA A 64 15.106 -7.281 3.330 1.00 33.13 H new ATOM 0 HB3 ALA A 64 15.228 -8.528 2.066 1.00 33.13 H new ATOM 1008 N GLU A 65 14.097 -11.072 4.222 1.00 23.12 N ATOM 1009 CA GLU A 65 13.634 -12.428 4.100 1.00 71.04 C ATOM 1010 C GLU A 65 12.122 -12.405 4.283 1.00 4.13 C ATOM 1011 O GLU A 65 11.615 -11.587 5.050 1.00 43.30 O ATOM 1012 CB GLU A 65 14.324 -13.279 5.162 1.00 73.13 C ATOM 1013 CG GLU A 65 14.750 -14.653 4.685 1.00 12.24 C ATOM 1014 CD GLU A 65 13.594 -15.509 4.201 1.00 62.12 C ATOM 1015 OE1 GLU A 65 13.234 -15.418 3.005 1.00 31.10 O ATOM 1016 OE2 GLU A 65 13.033 -16.272 5.013 1.00 41.44 O ATOM 0 H GLU A 65 13.434 -10.447 4.680 1.00 23.12 H new ATOM 0 HA GLU A 65 13.870 -12.860 3.127 1.00 71.04 H new ATOM 0 HB2 GLU A 65 15.203 -12.745 5.523 1.00 73.13 H new ATOM 0 HB3 GLU A 65 13.650 -13.395 6.011 1.00 73.13 H new ATOM 0 HG2 GLU A 65 15.472 -14.541 3.877 1.00 12.24 H new ATOM 0 HG3 GLU A 65 15.259 -15.170 5.498 1.00 12.24 H new ATOM 1023 N LEU A 66 11.398 -13.262 3.577 1.00 63.04 N ATOM 1024 CA LEU A 66 9.944 -13.131 3.514 1.00 70.31 C ATOM 1025 C LEU A 66 9.225 -14.302 4.176 1.00 72.53 C ATOM 1026 O LEU A 66 9.530 -15.465 3.914 1.00 21.53 O ATOM 1027 CB LEU A 66 9.471 -12.984 2.059 1.00 34.22 C ATOM 1028 CG LEU A 66 9.988 -11.745 1.309 1.00 15.33 C ATOM 1029 CD1 LEU A 66 10.111 -10.560 2.253 1.00 61.21 C ATOM 1030 CD2 LEU A 66 11.314 -12.028 0.620 1.00 51.04 C ATOM 0 H LEU A 66 11.783 -14.044 3.047 1.00 63.04 H new ATOM 0 HA LEU A 66 9.688 -12.229 4.070 1.00 70.31 H new ATOM 0 HB2 LEU A 66 9.775 -13.873 1.506 1.00 34.22 H new ATOM 0 HB3 LEU A 66 8.381 -12.961 2.052 1.00 34.22 H new ATOM 0 HG LEU A 66 9.261 -11.495 0.536 1.00 15.33 H new ATOM 0 HD11 LEU A 66 10.478 -9.693 1.703 1.00 61.21 H new ATOM 0 HD12 LEU A 66 9.134 -10.332 2.680 1.00 61.21 H new ATOM 0 HD13 LEU A 66 10.809 -10.804 3.054 1.00 61.21 H new ATOM 0 HD21 LEU A 66 11.652 -11.132 0.099 1.00 51.04 H new ATOM 0 HD22 LEU A 66 12.056 -12.317 1.364 1.00 51.04 H new ATOM 0 HD23 LEU A 66 11.185 -12.838 -0.098 1.00 51.04 H new ATOM 1042 N THR A 67 8.252 -13.980 5.025 1.00 23.42 N ATOM 1043 CA THR A 67 7.447 -14.994 5.689 1.00 50.21 C ATOM 1044 C THR A 67 6.181 -15.290 4.882 1.00 1.43 C ATOM 1045 O THR A 67 5.688 -16.421 4.875 1.00 64.34 O ATOM 1046 CB THR A 67 7.078 -14.573 7.137 1.00 53.10 C ATOM 1047 OG1 THR A 67 6.243 -15.567 7.751 1.00 3.03 O ATOM 1048 CG2 THR A 67 6.374 -13.220 7.170 1.00 54.33 C ATOM 0 H THR A 67 8.004 -13.021 5.268 1.00 23.42 H new ATOM 0 HA THR A 67 8.047 -15.902 5.749 1.00 50.21 H new ATOM 0 HB THR A 67 8.009 -14.485 7.696 1.00 53.10 H new ATOM 0 HG1 THR A 67 6.020 -15.288 8.664 1.00 3.03 H new ATOM 0 HG21 THR A 67 6.132 -12.961 8.201 1.00 54.33 H new ATOM 0 HG22 THR A 67 7.030 -12.458 6.748 1.00 54.33 H new ATOM 0 HG23 THR A 67 5.456 -13.273 6.584 1.00 54.33 H new ATOM 1056 N ALA A 68 5.672 -14.278 4.187 1.00 3.34 N ATOM 1057 CA ALA A 68 4.506 -14.453 3.334 1.00 53.32 C ATOM 1058 C ALA A 68 4.883 -14.195 1.885 1.00 34.33 C ATOM 1059 O ALA A 68 5.444 -13.148 1.556 1.00 72.54 O ATOM 1060 CB ALA A 68 3.368 -13.538 3.765 1.00 42.14 C ATOM 0 H ALA A 68 6.049 -13.330 4.199 1.00 3.34 H new ATOM 0 HA ALA A 68 4.158 -15.481 3.431 1.00 53.32 H new ATOM 0 HB1 ALA A 68 2.510 -13.691 3.110 1.00 42.14 H new ATOM 0 HB2 ALA A 68 3.085 -13.768 4.792 1.00 42.14 H new ATOM 0 HB3 ALA A 68 3.692 -12.499 3.702 1.00 42.14 H new ATOM 1066 N ASP A 69 4.573 -15.152 1.031 1.00 51.35 N ATOM 1067 CA ASP A 69 4.978 -15.100 -0.370 1.00 3.43 C ATOM 1068 C ASP A 69 3.788 -15.380 -1.282 1.00 11.41 C ATOM 1069 O ASP A 69 3.931 -16.022 -2.321 1.00 43.32 O ATOM 1070 CB ASP A 69 6.106 -16.113 -0.634 1.00 3.32 C ATOM 1071 CG ASP A 69 5.682 -17.560 -0.428 1.00 4.42 C ATOM 1072 OD1 ASP A 69 5.398 -17.946 0.728 1.00 12.21 O ATOM 1073 OD2 ASP A 69 5.659 -18.331 -1.417 1.00 73.51 O ATOM 0 H ASP A 69 4.038 -15.983 1.281 1.00 51.35 H new ATOM 0 HA ASP A 69 5.349 -14.098 -0.588 1.00 3.43 H new ATOM 0 HB2 ASP A 69 6.463 -15.989 -1.656 1.00 3.32 H new ATOM 0 HB3 ASP A 69 6.945 -15.891 0.026 1.00 3.32 H new ATOM 1078 N GLU A 70 2.627 -14.859 -0.902 1.00 15.31 N ATOM 1079 CA GLU A 70 1.380 -15.102 -1.627 1.00 53.22 C ATOM 1080 C GLU A 70 1.072 -13.937 -2.577 1.00 42.12 C ATOM 1081 O GLU A 70 0.373 -12.997 -2.199 1.00 22.41 O ATOM 1082 CB GLU A 70 0.225 -15.275 -0.637 1.00 24.34 C ATOM 1083 CG GLU A 70 0.555 -16.166 0.553 1.00 5.25 C ATOM 1084 CD GLU A 70 0.775 -17.613 0.170 1.00 32.31 C ATOM 1085 OE1 GLU A 70 1.906 -17.972 -0.205 1.00 22.05 O ATOM 1086 OE2 GLU A 70 -0.186 -18.402 0.265 1.00 34.52 O ATOM 0 H GLU A 70 2.521 -14.257 -0.085 1.00 15.31 H new ATOM 0 HA GLU A 70 1.495 -16.013 -2.214 1.00 53.22 H new ATOM 0 HB2 GLU A 70 -0.075 -14.293 -0.270 1.00 24.34 H new ATOM 0 HB3 GLU A 70 -0.632 -15.694 -1.164 1.00 24.34 H new ATOM 0 HG2 GLU A 70 1.450 -15.787 1.045 1.00 5.25 H new ATOM 0 HG3 GLU A 70 -0.257 -16.108 1.278 1.00 5.25 H new ATOM 1093 N PRO A 71 1.583 -13.982 -3.823 1.00 12.22 N ATOM 1094 CA PRO A 71 1.536 -12.835 -4.748 1.00 22.04 C ATOM 1095 C PRO A 71 0.113 -12.405 -5.098 1.00 33.11 C ATOM 1096 O PRO A 71 -0.138 -11.236 -5.390 1.00 41.35 O ATOM 1097 CB PRO A 71 2.266 -13.342 -5.994 1.00 42.25 C ATOM 1098 CG PRO A 71 2.181 -14.826 -5.913 1.00 71.22 C ATOM 1099 CD PRO A 71 2.200 -15.163 -4.451 1.00 22.13 C ATOM 0 HA PRO A 71 1.989 -11.949 -4.303 1.00 22.04 H new ATOM 0 HB2 PRO A 71 1.798 -12.969 -6.905 1.00 42.25 H new ATOM 0 HB3 PRO A 71 3.303 -13.006 -6.008 1.00 42.25 H new ATOM 0 HG2 PRO A 71 1.269 -15.191 -6.385 1.00 71.22 H new ATOM 0 HG3 PRO A 71 3.018 -15.294 -6.432 1.00 71.22 H new ATOM 0 HD2 PRO A 71 1.636 -16.072 -4.240 1.00 22.13 H new ATOM 0 HD3 PRO A 71 3.215 -15.327 -4.089 1.00 22.13 H new ATOM 1107 N GLY A 72 -0.812 -13.349 -5.067 1.00 3.24 N ATOM 1108 CA GLY A 72 -2.193 -13.039 -5.368 1.00 54.13 C ATOM 1109 C GLY A 72 -3.098 -13.226 -4.169 1.00 34.21 C ATOM 1110 O GLY A 72 -4.289 -13.503 -4.317 1.00 24.24 O ATOM 0 H GLY A 72 -0.632 -14.327 -4.838 1.00 3.24 H new ATOM 0 HA2 GLY A 72 -2.264 -12.009 -5.717 1.00 54.13 H new ATOM 0 HA3 GLY A 72 -2.537 -13.676 -6.183 1.00 54.13 H new ATOM 1114 N LYS A 73 -2.538 -13.076 -2.977 1.00 45.13 N ATOM 1115 CA LYS A 73 -3.299 -13.272 -1.758 1.00 74.15 C ATOM 1116 C LYS A 73 -2.885 -12.264 -0.688 1.00 44.23 C ATOM 1117 O LYS A 73 -3.697 -11.451 -0.244 1.00 5.32 O ATOM 1118 CB LYS A 73 -3.112 -14.705 -1.252 1.00 41.10 C ATOM 1119 CG LYS A 73 -4.060 -15.084 -0.132 1.00 40.02 C ATOM 1120 CD LYS A 73 -5.506 -14.898 -0.556 1.00 52.31 C ATOM 1121 CE LYS A 73 -6.466 -15.323 0.535 1.00 32.15 C ATOM 1122 NZ LYS A 73 -7.868 -14.974 0.192 1.00 20.21 N ATOM 0 H LYS A 73 -1.562 -12.820 -2.831 1.00 45.13 H new ATOM 0 HA LYS A 73 -4.354 -13.110 -1.977 1.00 74.15 H new ATOM 0 HB2 LYS A 73 -3.252 -15.396 -2.084 1.00 41.10 H new ATOM 0 HB3 LYS A 73 -2.086 -14.827 -0.905 1.00 41.10 H new ATOM 0 HG2 LYS A 73 -3.892 -16.122 0.155 1.00 40.02 H new ATOM 0 HG3 LYS A 73 -3.853 -14.473 0.746 1.00 40.02 H new ATOM 0 HD2 LYS A 73 -5.680 -13.852 -0.807 1.00 52.31 H new ATOM 0 HD3 LYS A 73 -5.699 -15.479 -1.458 1.00 52.31 H new ATOM 0 HE2 LYS A 73 -6.386 -16.398 0.693 1.00 32.15 H new ATOM 0 HE3 LYS A 73 -6.189 -14.841 1.473 1.00 32.15 H new ATOM 0 HZ1 LYS A 73 -8.499 -15.279 0.960 1.00 20.21 H new ATOM 0 HZ2 LYS A 73 -7.949 -13.945 0.065 1.00 20.21 H new ATOM 0 HZ3 LYS A 73 -8.139 -15.454 -0.690 1.00 20.21 H new ATOM 1136 N ARG A 74 -1.621 -12.310 -0.283 1.00 32.34 N ATOM 1137 CA ARG A 74 -1.112 -11.399 0.735 1.00 24.25 C ATOM 1138 C ARG A 74 0.412 -11.412 0.748 1.00 54.12 C ATOM 1139 O ARG A 74 1.042 -12.464 0.607 1.00 2.01 O ATOM 1140 CB ARG A 74 -1.635 -11.774 2.130 1.00 11.04 C ATOM 1141 CG ARG A 74 -1.057 -13.069 2.672 1.00 20.03 C ATOM 1142 CD ARG A 74 -1.413 -13.278 4.132 1.00 11.11 C ATOM 1143 NE ARG A 74 -0.725 -14.440 4.695 1.00 21.14 N ATOM 1144 CZ ARG A 74 -0.453 -14.598 5.991 1.00 21.35 C ATOM 1145 NH1 ARG A 74 -0.784 -13.657 6.866 1.00 4.13 N ATOM 1146 NH2 ARG A 74 0.170 -15.694 6.403 1.00 54.25 N ATOM 0 H ARG A 74 -0.930 -12.968 -0.644 1.00 32.34 H new ATOM 0 HA ARG A 74 -1.466 -10.399 0.486 1.00 24.25 H new ATOM 0 HB2 ARG A 74 -1.405 -10.966 2.824 1.00 11.04 H new ATOM 0 HB3 ARG A 74 -2.721 -11.860 2.090 1.00 11.04 H new ATOM 0 HG2 ARG A 74 -1.429 -13.908 2.084 1.00 20.03 H new ATOM 0 HG3 ARG A 74 0.027 -13.058 2.560 1.00 20.03 H new ATOM 0 HD2 ARG A 74 -1.149 -12.387 4.702 1.00 11.11 H new ATOM 0 HD3 ARG A 74 -2.491 -13.411 4.229 1.00 11.11 H new ATOM 0 HE ARG A 74 -0.434 -15.178 4.054 1.00 21.14 H new ATOM 0 HH11 ARG A 74 -1.249 -12.807 6.549 1.00 4.13 H new ATOM 0 HH12 ARG A 74 -0.573 -13.784 7.856 1.00 4.13 H new ATOM 0 HH21 ARG A 74 0.439 -16.411 5.730 1.00 54.25 H new ATOM 0 HH22 ARG A 74 0.380 -15.819 7.393 1.00 54.25 H new ATOM 1160 N ILE A 75 1.002 -10.244 0.917 1.00 61.12 N ATOM 1161 CA ILE A 75 2.445 -10.138 1.035 1.00 63.31 C ATOM 1162 C ILE A 75 2.809 -9.485 2.357 1.00 22.25 C ATOM 1163 O ILE A 75 2.314 -8.409 2.686 1.00 64.41 O ATOM 1164 CB ILE A 75 3.106 -9.355 -0.132 1.00 42.44 C ATOM 1165 CG1 ILE A 75 3.019 -10.134 -1.450 1.00 3.30 C ATOM 1166 CG2 ILE A 75 4.563 -9.062 0.190 1.00 22.31 C ATOM 1167 CD1 ILE A 75 1.670 -10.065 -2.127 1.00 21.14 C ATOM 0 H ILE A 75 0.505 -9.355 0.976 1.00 61.12 H new ATOM 0 HA ILE A 75 2.833 -11.155 0.990 1.00 63.31 H new ATOM 0 HB ILE A 75 2.562 -8.418 -0.251 1.00 42.44 H new ATOM 0 HG12 ILE A 75 3.776 -9.751 -2.135 1.00 3.30 H new ATOM 0 HG13 ILE A 75 3.262 -11.179 -1.257 1.00 3.30 H new ATOM 0 HG21 ILE A 75 5.015 -8.513 -0.636 1.00 22.31 H new ATOM 0 HG22 ILE A 75 4.621 -8.463 1.099 1.00 22.31 H new ATOM 0 HG23 ILE A 75 5.099 -10.000 0.338 1.00 22.31 H new ATOM 0 HD11 ILE A 75 1.697 -10.643 -3.051 1.00 21.14 H new ATOM 0 HD12 ILE A 75 0.909 -10.476 -1.464 1.00 21.14 H new ATOM 0 HD13 ILE A 75 1.430 -9.026 -2.355 1.00 21.14 H new ATOM 1179 N ALA A 76 3.647 -10.163 3.122 1.00 32.00 N ATOM 1180 CA ALA A 76 4.151 -9.636 4.376 1.00 2.42 C ATOM 1181 C ALA A 76 5.621 -9.980 4.494 1.00 50.53 C ATOM 1182 O ALA A 76 5.994 -11.158 4.522 1.00 51.02 O ATOM 1183 CB ALA A 76 3.376 -10.198 5.557 1.00 33.40 C ATOM 0 H ALA A 76 3.996 -11.093 2.891 1.00 32.00 H new ATOM 0 HA ALA A 76 4.023 -8.554 4.387 1.00 2.42 H new ATOM 0 HB1 ALA A 76 3.775 -9.786 6.484 1.00 33.40 H new ATOM 0 HB2 ALA A 76 2.324 -9.928 5.463 1.00 33.40 H new ATOM 0 HB3 ALA A 76 3.472 -11.284 5.572 1.00 33.40 H new ATOM 1189 N TRP A 77 6.461 -8.965 4.545 1.00 22.22 N ATOM 1190 CA TRP A 77 7.891 -9.195 4.542 1.00 54.32 C ATOM 1191 C TRP A 77 8.450 -9.191 5.947 1.00 34.24 C ATOM 1192 O TRP A 77 8.316 -8.203 6.665 1.00 33.24 O ATOM 1193 CB TRP A 77 8.611 -8.152 3.677 1.00 24.25 C ATOM 1194 CG TRP A 77 8.098 -6.745 3.809 1.00 5.30 C ATOM 1195 CD1 TRP A 77 8.463 -5.819 4.743 1.00 63.01 C ATOM 1196 CD2 TRP A 77 7.142 -6.102 2.959 1.00 44.25 C ATOM 1197 NE1 TRP A 77 7.785 -4.643 4.534 1.00 72.14 N ATOM 1198 CE2 TRP A 77 6.971 -4.790 3.442 1.00 64.31 C ATOM 1199 CE3 TRP A 77 6.412 -6.506 1.838 1.00 25.15 C ATOM 1200 CZ2 TRP A 77 6.102 -3.883 2.841 1.00 51.23 C ATOM 1201 CZ3 TRP A 77 5.550 -5.605 1.244 1.00 72.41 C ATOM 1202 CH2 TRP A 77 5.402 -4.306 1.746 1.00 42.24 C ATOM 0 H TRP A 77 6.182 -7.985 4.588 1.00 22.22 H new ATOM 0 HA TRP A 77 8.065 -10.181 4.111 1.00 54.32 H new ATOM 0 HB2 TRP A 77 9.671 -8.161 3.933 1.00 24.25 H new ATOM 0 HB3 TRP A 77 8.533 -8.454 2.632 1.00 24.25 H new ATOM 0 HD1 TRP A 77 9.181 -5.987 5.532 1.00 63.01 H new ATOM 0 HE1 TRP A 77 7.873 -3.799 5.099 1.00 72.14 H new ATOM 0 HE3 TRP A 77 6.520 -7.505 1.443 1.00 25.15 H new ATOM 0 HZ2 TRP A 77 5.985 -2.881 3.226 1.00 51.23 H new ATOM 0 HZ3 TRP A 77 4.980 -5.907 0.378 1.00 72.41 H new ATOM 0 HH2 TRP A 77 4.721 -3.625 1.258 1.00 42.24 H new ATOM 1213 N ARG A 78 9.059 -10.323 6.325 1.00 33.00 N ATOM 1214 CA ARG A 78 9.772 -10.459 7.598 1.00 10.34 C ATOM 1215 C ARG A 78 10.257 -11.877 7.854 1.00 51.31 C ATOM 1216 O ARG A 78 9.479 -12.827 7.796 1.00 2.25 O ATOM 1217 CB ARG A 78 8.930 -10.013 8.784 1.00 43.40 C ATOM 1218 CG ARG A 78 9.351 -8.655 9.284 1.00 72.04 C ATOM 1219 CD ARG A 78 8.615 -8.249 10.539 1.00 22.14 C ATOM 1220 NE ARG A 78 9.020 -6.911 10.940 1.00 44.42 N ATOM 1221 CZ ARG A 78 8.383 -5.809 10.568 1.00 72.43 C ATOM 1222 NH1 ARG A 78 7.258 -5.885 9.873 1.00 13.51 N ATOM 1223 NH2 ARG A 78 8.872 -4.623 10.879 1.00 51.23 N ATOM 0 H ARG A 78 9.070 -11.169 5.755 1.00 33.00 H new ATOM 0 HA ARG A 78 10.637 -9.803 7.503 1.00 10.34 H new ATOM 0 HB2 ARG A 78 7.879 -9.985 8.495 1.00 43.40 H new ATOM 0 HB3 ARG A 78 9.020 -10.742 9.589 1.00 43.40 H new ATOM 0 HG2 ARG A 78 10.423 -8.660 9.480 1.00 72.04 H new ATOM 0 HG3 ARG A 78 9.173 -7.913 8.506 1.00 72.04 H new ATOM 0 HD2 ARG A 78 7.539 -8.276 10.365 1.00 22.14 H new ATOM 0 HD3 ARG A 78 8.826 -8.958 11.340 1.00 22.14 H new ATOM 0 HE ARG A 78 9.839 -6.815 11.540 1.00 44.42 H new ATOM 0 HH11 ARG A 78 6.875 -6.796 9.620 1.00 13.51 H new ATOM 0 HH12 ARG A 78 6.774 -5.032 9.591 1.00 13.51 H new ATOM 0 HH21 ARG A 78 9.742 -4.552 11.407 1.00 51.23 H new ATOM 0 HH22 ARG A 78 8.380 -3.777 10.592 1.00 51.23 H new ATOM 1237 N SER A 79 11.542 -12.001 8.152 1.00 62.42 N ATOM 1238 CA SER A 79 12.099 -13.241 8.680 1.00 23.01 C ATOM 1239 C SER A 79 13.298 -12.935 9.571 1.00 72.24 C ATOM 1240 O SER A 79 13.554 -13.652 10.540 1.00 22.40 O ATOM 1241 CB SER A 79 12.516 -14.207 7.567 1.00 40.23 C ATOM 1242 OG SER A 79 11.425 -14.566 6.735 1.00 1.50 O ATOM 0 H SER A 79 12.225 -11.252 8.036 1.00 62.42 H new ATOM 0 HA SER A 79 11.317 -13.727 9.263 1.00 23.01 H new ATOM 0 HB2 SER A 79 13.297 -13.746 6.962 1.00 40.23 H new ATOM 0 HB3 SER A 79 12.945 -15.106 8.010 1.00 40.23 H new ATOM 0 HG SER A 79 11.736 -15.174 6.032 1.00 1.50 H new ATOM 1248 N LEU A 80 14.029 -11.864 9.228 1.00 74.31 N ATOM 1249 CA LEU A 80 15.202 -11.438 9.988 1.00 73.22 C ATOM 1250 C LEU A 80 14.959 -11.402 11.498 1.00 54.24 C ATOM 1251 O LEU A 80 13.882 -11.019 11.963 1.00 23.13 O ATOM 1252 CB LEU A 80 15.642 -10.062 9.525 1.00 25.31 C ATOM 1253 CG LEU A 80 15.859 -9.941 8.023 1.00 22.10 C ATOM 1254 CD1 LEU A 80 14.590 -9.524 7.310 1.00 61.44 C ATOM 1255 CD2 LEU A 80 16.961 -8.968 7.738 1.00 2.04 C ATOM 0 H LEU A 80 13.822 -11.276 8.421 1.00 74.31 H new ATOM 0 HA LEU A 80 15.980 -12.178 9.801 1.00 73.22 H new ATOM 0 HB2 LEU A 80 14.892 -9.333 9.831 1.00 25.31 H new ATOM 0 HB3 LEU A 80 16.569 -9.800 10.036 1.00 25.31 H new ATOM 0 HG LEU A 80 16.143 -10.923 7.645 1.00 22.10 H new ATOM 0 HD11 LEU A 80 14.782 -9.448 6.240 1.00 61.44 H new ATOM 0 HD12 LEU A 80 13.812 -10.267 7.487 1.00 61.44 H new ATOM 0 HD13 LEU A 80 14.261 -8.557 7.689 1.00 61.44 H new ATOM 0 HD21 LEU A 80 17.107 -8.889 6.661 1.00 2.04 H new ATOM 0 HD22 LEU A 80 16.696 -7.990 8.140 1.00 2.04 H new ATOM 0 HD23 LEU A 80 17.883 -9.315 8.205 1.00 2.04 H new ATOM 1267 N PRO A 81 15.992 -11.762 12.275 1.00 50.24 N ATOM 1268 CA PRO A 81 15.902 -11.884 13.733 1.00 5.34 C ATOM 1269 C PRO A 81 15.933 -10.540 14.465 1.00 31.22 C ATOM 1270 O PRO A 81 15.560 -10.457 15.634 1.00 4.34 O ATOM 1271 CB PRO A 81 17.141 -12.704 14.080 1.00 15.55 C ATOM 1272 CG PRO A 81 18.135 -12.342 13.034 1.00 32.54 C ATOM 1273 CD PRO A 81 17.344 -12.103 11.780 1.00 61.43 C ATOM 0 HA PRO A 81 14.957 -12.332 14.039 1.00 5.34 H new ATOM 0 HB2 PRO A 81 17.509 -12.463 15.077 1.00 15.55 H new ATOM 0 HB3 PRO A 81 16.925 -13.772 14.069 1.00 15.55 H new ATOM 0 HG2 PRO A 81 18.695 -11.451 13.319 1.00 32.54 H new ATOM 0 HG3 PRO A 81 18.861 -13.142 12.891 1.00 32.54 H new ATOM 0 HD2 PRO A 81 17.769 -11.293 11.187 1.00 61.43 H new ATOM 0 HD3 PRO A 81 17.326 -12.988 11.144 1.00 61.43 H new ATOM 1281 N GLY A 82 16.383 -9.499 13.787 1.00 54.32 N ATOM 1282 CA GLY A 82 16.445 -8.189 14.406 1.00 70.35 C ATOM 1283 C GLY A 82 15.433 -7.229 13.821 1.00 55.45 C ATOM 1284 O GLY A 82 15.123 -6.194 14.406 1.00 71.41 O ATOM 0 H GLY A 82 16.707 -9.534 12.820 1.00 54.32 H new ATOM 0 HA2 GLY A 82 16.272 -8.287 15.478 1.00 70.35 H new ATOM 0 HA3 GLY A 82 17.447 -7.778 14.281 1.00 70.35 H new ATOM 1288 N ALA A 83 14.885 -7.603 12.681 1.00 15.11 N ATOM 1289 CA ALA A 83 14.000 -6.731 11.920 1.00 31.11 C ATOM 1290 C ALA A 83 12.541 -6.913 12.323 1.00 65.23 C ATOM 1291 O ALA A 83 11.634 -6.496 11.608 1.00 44.41 O ATOM 1292 CB ALA A 83 14.164 -7.026 10.445 1.00 5.22 C ATOM 0 H ALA A 83 15.038 -8.517 12.254 1.00 15.11 H new ATOM 0 HA ALA A 83 14.273 -5.697 12.133 1.00 31.11 H new ATOM 0 HB1 ALA A 83 13.505 -6.377 9.869 1.00 5.22 H new ATOM 0 HB2 ALA A 83 15.198 -6.846 10.151 1.00 5.22 H new ATOM 0 HB3 ALA A 83 13.908 -8.068 10.252 1.00 5.22 H new ATOM 1298 N ARG A 84 12.313 -7.512 13.476 1.00 74.55 N ATOM 1299 CA ARG A 84 10.961 -7.857 13.885 1.00 55.33 C ATOM 1300 C ARG A 84 10.308 -6.759 14.724 1.00 72.13 C ATOM 1301 O ARG A 84 9.206 -6.944 15.243 1.00 23.24 O ATOM 1302 CB ARG A 84 10.960 -9.191 14.620 1.00 44.12 C ATOM 1303 CG ARG A 84 11.971 -9.276 15.742 1.00 2.35 C ATOM 1304 CD ARG A 84 12.590 -10.658 15.795 1.00 74.43 C ATOM 1305 NE ARG A 84 11.591 -11.712 15.987 1.00 24.45 N ATOM 1306 CZ ARG A 84 11.883 -13.012 16.022 1.00 2.31 C ATOM 1307 NH1 ARG A 84 13.147 -13.409 15.961 1.00 44.32 N ATOM 1308 NH2 ARG A 84 10.916 -13.914 16.133 1.00 25.33 N ATOM 0 H ARG A 84 13.040 -7.769 14.144 1.00 74.55 H new ATOM 0 HA ARG A 84 10.357 -7.953 12.983 1.00 55.33 H new ATOM 0 HB2 ARG A 84 9.965 -9.369 15.027 1.00 44.12 H new ATOM 0 HB3 ARG A 84 11.159 -9.989 13.904 1.00 44.12 H new ATOM 0 HG2 ARG A 84 12.750 -8.528 15.595 1.00 2.35 H new ATOM 0 HG3 ARG A 84 11.488 -9.051 16.693 1.00 2.35 H new ATOM 0 HD2 ARG A 84 13.137 -10.844 14.870 1.00 74.43 H new ATOM 0 HD3 ARG A 84 13.316 -10.697 16.607 1.00 74.43 H new ATOM 0 HE ARG A 84 10.616 -11.435 16.100 1.00 24.45 H new ATOM 0 HH11 ARG A 84 13.895 -12.720 15.887 1.00 44.32 H new ATOM 0 HH12 ARG A 84 13.371 -14.404 15.988 1.00 44.32 H new ATOM 0 HH21 ARG A 84 9.943 -13.614 16.192 1.00 25.33 H new ATOM 0 HH22 ARG A 84 11.146 -14.907 16.159 1.00 25.33 H new ATOM 1322 N ILE A 85 10.982 -5.617 14.847 1.00 75.33 N ATOM 1323 CA ILE A 85 10.351 -4.425 15.403 1.00 1.20 C ATOM 1324 C ILE A 85 9.283 -3.960 14.418 1.00 43.15 C ATOM 1325 O ILE A 85 9.593 -3.607 13.279 1.00 42.12 O ATOM 1326 CB ILE A 85 11.375 -3.296 15.687 1.00 10.22 C ATOM 1327 CG1 ILE A 85 10.649 -2.010 16.098 1.00 31.53 C ATOM 1328 CG2 ILE A 85 12.279 -3.052 14.482 1.00 70.04 C ATOM 1329 CD1 ILE A 85 11.577 -0.875 16.486 1.00 24.23 C ATOM 0 H ILE A 85 11.956 -5.493 14.571 1.00 75.33 H new ATOM 0 HA ILE A 85 9.903 -4.671 16.366 1.00 1.20 H new ATOM 0 HB ILE A 85 12.010 -3.614 16.514 1.00 10.22 H new ATOM 0 HG12 ILE A 85 10.016 -1.683 15.273 1.00 31.53 H new ATOM 0 HG13 ILE A 85 9.990 -2.230 16.938 1.00 31.53 H new ATOM 0 HG21 ILE A 85 12.986 -2.255 14.713 1.00 70.04 H new ATOM 0 HG22 ILE A 85 12.826 -3.965 14.247 1.00 70.04 H new ATOM 0 HG23 ILE A 85 11.672 -2.762 13.625 1.00 70.04 H new ATOM 0 HD11 ILE A 85 10.987 -0.001 16.764 1.00 24.23 H new ATOM 0 HD12 ILE A 85 12.192 -1.181 17.332 1.00 24.23 H new ATOM 0 HD13 ILE A 85 12.219 -0.625 15.642 1.00 24.23 H new ATOM 1341 N GLU A 86 8.028 -3.986 14.842 1.00 52.41 N ATOM 1342 CA GLU A 86 6.925 -3.977 13.893 1.00 1.05 C ATOM 1343 C GLU A 86 6.614 -2.604 13.281 1.00 51.41 C ATOM 1344 O GLU A 86 5.722 -1.879 13.726 1.00 24.43 O ATOM 1345 CB GLU A 86 5.662 -4.606 14.492 1.00 60.31 C ATOM 1346 CG GLU A 86 5.115 -3.905 15.723 1.00 55.30 C ATOM 1347 CD GLU A 86 3.784 -4.481 16.157 1.00 0.44 C ATOM 1348 OE1 GLU A 86 2.777 -4.282 15.437 1.00 64.43 O ATOM 1349 OE2 GLU A 86 3.738 -5.149 17.208 1.00 0.45 O ATOM 0 H GLU A 86 7.750 -4.013 15.823 1.00 52.41 H new ATOM 0 HA GLU A 86 7.271 -4.593 13.063 1.00 1.05 H new ATOM 0 HB2 GLU A 86 4.885 -4.623 13.727 1.00 60.31 H new ATOM 0 HB3 GLU A 86 5.878 -5.643 14.749 1.00 60.31 H new ATOM 0 HG2 GLU A 86 5.832 -3.993 16.539 1.00 55.30 H new ATOM 0 HG3 GLU A 86 4.999 -2.842 15.514 1.00 55.30 H new ATOM 1356 N ASN A 87 7.392 -2.241 12.275 1.00 22.21 N ATOM 1357 CA ASN A 87 6.895 -1.357 11.242 1.00 53.21 C ATOM 1358 C ASN A 87 6.189 -2.274 10.261 1.00 55.20 C ATOM 1359 O ASN A 87 6.768 -3.265 9.833 1.00 71.43 O ATOM 1360 CB ASN A 87 8.043 -0.600 10.559 1.00 52.04 C ATOM 1361 CG ASN A 87 7.575 0.243 9.384 1.00 21.31 C ATOM 1362 OD1 ASN A 87 7.537 -0.221 8.247 1.00 1.11 O ATOM 1363 ND2 ASN A 87 7.210 1.487 9.649 1.00 1.44 N ATOM 0 H ASN A 87 8.359 -2.542 12.154 1.00 22.21 H new ATOM 0 HA ASN A 87 6.231 -0.591 11.643 1.00 53.21 H new ATOM 0 HB2 ASN A 87 8.533 0.043 11.290 1.00 52.04 H new ATOM 0 HB3 ASN A 87 8.789 -1.315 10.213 1.00 52.04 H new ATOM 0 HD21 ASN A 87 6.884 2.094 8.897 1.00 1.44 H new ATOM 0 HD22 ASN A 87 7.255 1.839 10.605 1.00 1.44 H new ATOM 1370 N SER A 88 4.967 -1.979 9.894 1.00 14.21 N ATOM 1371 CA SER A 88 4.144 -3.015 9.298 1.00 74.21 C ATOM 1372 C SER A 88 4.202 -2.990 7.780 1.00 54.40 C ATOM 1373 O SER A 88 4.147 -1.933 7.156 1.00 24.33 O ATOM 1374 CB SER A 88 2.699 -2.896 9.782 1.00 45.30 C ATOM 1375 OG SER A 88 1.970 -4.080 9.500 1.00 2.55 O ATOM 0 H SER A 88 4.526 -1.064 9.990 1.00 14.21 H new ATOM 0 HA SER A 88 4.548 -3.975 9.621 1.00 74.21 H new ATOM 0 HB2 SER A 88 2.686 -2.703 10.855 1.00 45.30 H new ATOM 0 HB3 SER A 88 2.219 -2.045 9.299 1.00 45.30 H new ATOM 0 HG SER A 88 1.195 -3.862 8.942 1.00 2.55 H new ATOM 1381 N GLY A 89 4.339 -4.180 7.206 1.00 53.14 N ATOM 1382 CA GLY A 89 4.356 -4.333 5.772 1.00 52.01 C ATOM 1383 C GLY A 89 3.566 -5.548 5.346 1.00 5.03 C ATOM 1384 O GLY A 89 3.988 -6.305 4.475 1.00 35.54 O ATOM 0 H GLY A 89 4.440 -5.053 7.724 1.00 53.14 H new ATOM 0 HA2 GLY A 89 3.939 -3.442 5.303 1.00 52.01 H new ATOM 0 HA3 GLY A 89 5.385 -4.424 5.425 1.00 52.01 H new ATOM 1388 N GLU A 90 2.423 -5.741 5.987 1.00 72.53 N ATOM 1389 CA GLU A 90 1.536 -6.841 5.656 1.00 75.35 C ATOM 1390 C GLU A 90 0.369 -6.322 4.828 1.00 45.52 C ATOM 1391 O GLU A 90 -0.453 -5.541 5.313 1.00 73.15 O ATOM 1392 CB GLU A 90 1.034 -7.521 6.937 1.00 43.32 C ATOM 1393 CG GLU A 90 0.026 -8.633 6.692 1.00 5.25 C ATOM 1394 CD GLU A 90 -0.321 -9.397 7.953 1.00 73.14 C ATOM 1395 OE1 GLU A 90 -0.741 -8.770 8.946 1.00 23.45 O ATOM 1396 OE2 GLU A 90 -0.181 -10.636 7.957 1.00 52.40 O ATOM 0 H GLU A 90 2.088 -5.145 6.744 1.00 72.53 H new ATOM 0 HA GLU A 90 2.081 -7.581 5.070 1.00 75.35 H new ATOM 0 HB2 GLU A 90 1.888 -7.931 7.477 1.00 43.32 H new ATOM 0 HB3 GLU A 90 0.580 -6.768 7.582 1.00 43.32 H new ATOM 0 HG2 GLU A 90 -0.883 -8.206 6.269 1.00 5.25 H new ATOM 0 HG3 GLU A 90 0.428 -9.325 5.952 1.00 5.25 H new ATOM 1403 N VAL A 91 0.311 -6.748 3.577 1.00 11.14 N ATOM 1404 CA VAL A 91 -0.726 -6.293 2.670 1.00 51.11 C ATOM 1405 C VAL A 91 -1.630 -7.451 2.257 1.00 74.14 C ATOM 1406 O VAL A 91 -1.159 -8.538 1.915 1.00 22.12 O ATOM 1407 CB VAL A 91 -0.123 -5.617 1.413 1.00 62.35 C ATOM 1408 CG1 VAL A 91 0.862 -4.532 1.813 1.00 61.43 C ATOM 1409 CG2 VAL A 91 0.555 -6.625 0.503 1.00 35.33 C ATOM 0 H VAL A 91 0.971 -7.409 3.167 1.00 11.14 H new ATOM 0 HA VAL A 91 -1.322 -5.552 3.202 1.00 51.11 H new ATOM 0 HB VAL A 91 -0.946 -5.167 0.859 1.00 62.35 H new ATOM 0 HG11 VAL A 91 1.276 -4.068 0.918 1.00 61.43 H new ATOM 0 HG12 VAL A 91 0.349 -3.777 2.409 1.00 61.43 H new ATOM 0 HG13 VAL A 91 1.669 -4.971 2.400 1.00 61.43 H new ATOM 0 HG21 VAL A 91 0.965 -6.112 -0.367 1.00 35.33 H new ATOM 0 HG22 VAL A 91 1.361 -7.120 1.045 1.00 35.33 H new ATOM 0 HG23 VAL A 91 -0.173 -7.368 0.176 1.00 35.33 H new ATOM 1419 N LEU A 92 -2.927 -7.227 2.329 1.00 1.12 N ATOM 1420 CA LEU A 92 -3.902 -8.232 1.934 1.00 13.11 C ATOM 1421 C LEU A 92 -4.583 -7.835 0.632 1.00 24.14 C ATOM 1422 O LEU A 92 -5.055 -6.705 0.492 1.00 1.34 O ATOM 1423 CB LEU A 92 -4.948 -8.409 3.037 1.00 20.31 C ATOM 1424 CG LEU A 92 -4.635 -9.464 4.109 1.00 52.43 C ATOM 1425 CD1 LEU A 92 -3.238 -9.283 4.688 1.00 42.33 C ATOM 1426 CD2 LEU A 92 -5.671 -9.394 5.214 1.00 34.34 C ATOM 0 H LEU A 92 -3.335 -6.353 2.659 1.00 1.12 H new ATOM 0 HA LEU A 92 -3.381 -9.177 1.779 1.00 13.11 H new ATOM 0 HB2 LEU A 92 -5.088 -7.449 3.533 1.00 20.31 H new ATOM 0 HB3 LEU A 92 -5.898 -8.668 2.569 1.00 20.31 H new ATOM 0 HG LEU A 92 -4.670 -10.445 3.635 1.00 52.43 H new ATOM 0 HD11 LEU A 92 -3.055 -10.048 5.442 1.00 42.33 H new ATOM 0 HD12 LEU A 92 -2.499 -9.374 3.892 1.00 42.33 H new ATOM 0 HD13 LEU A 92 -3.159 -8.297 5.145 1.00 42.33 H new ATOM 0 HD21 LEU A 92 -5.445 -10.144 5.972 1.00 34.34 H new ATOM 0 HD22 LEU A 92 -5.653 -8.403 5.667 1.00 34.34 H new ATOM 0 HD23 LEU A 92 -6.660 -9.585 4.798 1.00 34.34 H new ATOM 1438 N PHE A 93 -4.631 -8.761 -0.315 1.00 51.33 N ATOM 1439 CA PHE A 93 -5.280 -8.512 -1.592 1.00 30.31 C ATOM 1440 C PHE A 93 -6.573 -9.303 -1.690 1.00 35.20 C ATOM 1441 O PHE A 93 -6.585 -10.522 -1.526 1.00 73.14 O ATOM 1442 CB PHE A 93 -4.356 -8.882 -2.752 1.00 73.14 C ATOM 1443 CG PHE A 93 -3.117 -8.038 -2.824 1.00 10.14 C ATOM 1444 CD1 PHE A 93 -3.205 -6.680 -3.079 1.00 23.45 C ATOM 1445 CD2 PHE A 93 -1.865 -8.601 -2.643 1.00 0.21 C ATOM 1446 CE1 PHE A 93 -2.067 -5.901 -3.152 1.00 61.30 C ATOM 1447 CE2 PHE A 93 -0.726 -7.825 -2.714 1.00 10.03 C ATOM 1448 CZ PHE A 93 -0.826 -6.474 -2.969 1.00 2.13 C ATOM 0 H PHE A 93 -4.227 -9.693 -0.222 1.00 51.33 H new ATOM 0 HA PHE A 93 -5.507 -7.448 -1.655 1.00 30.31 H new ATOM 0 HB2 PHE A 93 -4.068 -9.929 -2.657 1.00 73.14 H new ATOM 0 HB3 PHE A 93 -4.906 -8.787 -3.688 1.00 73.14 H new ATOM 0 HD1 PHE A 93 -4.174 -6.225 -3.222 1.00 23.45 H new ATOM 0 HD2 PHE A 93 -1.779 -9.659 -2.444 1.00 0.21 H new ATOM 0 HE1 PHE A 93 -2.149 -4.843 -3.352 1.00 61.30 H new ATOM 0 HE2 PHE A 93 0.244 -8.277 -2.570 1.00 10.03 H new ATOM 0 HZ PHE A 93 0.065 -5.866 -3.025 1.00 2.13 H new ATOM 1458 N ARG A 94 -7.664 -8.599 -1.930 1.00 52.13 N ATOM 1459 CA ARG A 94 -8.964 -9.232 -2.094 1.00 71.42 C ATOM 1460 C ARG A 94 -9.755 -8.532 -3.195 1.00 31.23 C ATOM 1461 O ARG A 94 -9.529 -7.351 -3.461 1.00 71.25 O ATOM 1462 CB ARG A 94 -9.761 -9.227 -0.776 1.00 64.52 C ATOM 1463 CG ARG A 94 -9.844 -7.868 -0.090 1.00 30.03 C ATOM 1464 CD ARG A 94 -8.707 -7.657 0.892 1.00 25.34 C ATOM 1465 NE ARG A 94 -8.830 -8.508 2.078 1.00 72.32 N ATOM 1466 CZ ARG A 94 -9.438 -8.129 3.204 1.00 51.02 C ATOM 1467 NH1 ARG A 94 -10.094 -6.971 3.254 1.00 21.13 N ATOM 1468 NH2 ARG A 94 -9.421 -8.923 4.267 1.00 74.03 N ATOM 0 H ARG A 94 -7.677 -7.583 -2.016 1.00 52.13 H new ATOM 0 HA ARG A 94 -8.799 -10.271 -2.380 1.00 71.42 H new ATOM 0 HB2 ARG A 94 -10.772 -9.580 -0.977 1.00 64.52 H new ATOM 0 HB3 ARG A 94 -9.305 -9.939 -0.088 1.00 64.52 H new ATOM 0 HG2 ARG A 94 -9.824 -7.080 -0.843 1.00 30.03 H new ATOM 0 HG3 ARG A 94 -10.796 -7.784 0.434 1.00 30.03 H new ATOM 0 HD2 ARG A 94 -7.759 -7.864 0.396 1.00 25.34 H new ATOM 0 HD3 ARG A 94 -8.685 -6.611 1.199 1.00 25.34 H new ATOM 0 HE ARG A 94 -8.428 -9.445 2.041 1.00 72.32 H new ATOM 0 HH11 ARG A 94 -10.133 -6.371 2.430 1.00 21.13 H new ATOM 0 HH12 ARG A 94 -10.558 -6.684 4.116 1.00 21.13 H new ATOM 0 HH21 ARG A 94 -8.943 -9.823 4.224 1.00 74.03 H new ATOM 0 HH22 ARG A 94 -9.886 -8.633 5.128 1.00 74.03 H new ATOM 1482 N PRO A 95 -10.664 -9.259 -3.872 1.00 12.42 N ATOM 1483 CA PRO A 95 -11.531 -8.685 -4.908 1.00 3.43 C ATOM 1484 C PRO A 95 -12.269 -7.452 -4.403 1.00 2.03 C ATOM 1485 O PRO A 95 -12.918 -7.492 -3.355 1.00 15.34 O ATOM 1486 CB PRO A 95 -12.516 -9.814 -5.218 1.00 41.13 C ATOM 1487 CG PRO A 95 -11.783 -11.059 -4.864 1.00 20.35 C ATOM 1488 CD PRO A 95 -10.913 -10.702 -3.690 1.00 15.10 C ATOM 0 HA PRO A 95 -10.969 -8.351 -5.780 1.00 3.43 H new ATOM 0 HB2 PRO A 95 -13.431 -9.713 -4.634 1.00 41.13 H new ATOM 0 HB3 PRO A 95 -12.806 -9.810 -6.269 1.00 41.13 H new ATOM 0 HG2 PRO A 95 -12.475 -11.861 -4.608 1.00 20.35 H new ATOM 0 HG3 PRO A 95 -11.183 -11.411 -5.703 1.00 20.35 H new ATOM 0 HD2 PRO A 95 -11.413 -10.907 -2.743 1.00 15.10 H new ATOM 0 HD3 PRO A 95 -9.984 -11.273 -3.690 1.00 15.10 H new ATOM 1496 N ALA A 96 -12.150 -6.360 -5.140 1.00 14.11 N ATOM 1497 CA ALA A 96 -12.739 -5.100 -4.725 1.00 61.33 C ATOM 1498 C ALA A 96 -14.135 -4.923 -5.300 1.00 72.40 C ATOM 1499 O ALA A 96 -14.399 -5.307 -6.442 1.00 63.42 O ATOM 1500 CB ALA A 96 -11.849 -3.947 -5.155 1.00 32.54 C ATOM 0 H ALA A 96 -11.651 -6.322 -6.029 1.00 14.11 H new ATOM 0 HA ALA A 96 -12.823 -5.109 -3.638 1.00 61.33 H new ATOM 0 HB1 ALA A 96 -12.297 -3.005 -4.840 1.00 32.54 H new ATOM 0 HB2 ALA A 96 -10.867 -4.054 -4.694 1.00 32.54 H new ATOM 0 HB3 ALA A 96 -11.743 -3.954 -6.240 1.00 32.54 H new ATOM 1506 N PRO A 97 -15.043 -4.323 -4.514 1.00 21.32 N ATOM 1507 CA PRO A 97 -16.409 -4.035 -4.956 1.00 12.44 C ATOM 1508 C PRO A 97 -16.462 -2.908 -5.984 1.00 41.22 C ATOM 1509 O PRO A 97 -15.485 -2.177 -6.178 1.00 61.04 O ATOM 1510 CB PRO A 97 -17.124 -3.618 -3.671 1.00 10.14 C ATOM 1511 CG PRO A 97 -16.046 -3.108 -2.782 1.00 51.44 C ATOM 1512 CD PRO A 97 -14.814 -3.904 -3.118 1.00 24.44 C ATOM 0 HA PRO A 97 -16.863 -4.894 -5.451 1.00 12.44 H new ATOM 0 HB2 PRO A 97 -17.872 -2.849 -3.866 1.00 10.14 H new ATOM 0 HB3 PRO A 97 -17.645 -4.461 -3.217 1.00 10.14 H new ATOM 0 HG2 PRO A 97 -15.878 -2.043 -2.945 1.00 51.44 H new ATOM 0 HG3 PRO A 97 -16.315 -3.231 -1.733 1.00 51.44 H new ATOM 0 HD2 PRO A 97 -13.910 -3.303 -3.023 1.00 24.44 H new ATOM 0 HD3 PRO A 97 -14.698 -4.762 -2.456 1.00 24.44 H new ATOM 1520 N GLY A 98 -17.605 -2.774 -6.647 1.00 23.44 N ATOM 1521 CA GLY A 98 -17.771 -1.742 -7.652 1.00 32.23 C ATOM 1522 C GLY A 98 -16.918 -1.991 -8.880 1.00 64.03 C ATOM 1523 O GLY A 98 -16.670 -1.073 -9.668 1.00 52.40 O ATOM 0 H GLY A 98 -18.424 -3.366 -6.505 1.00 23.44 H new ATOM 0 HA2 GLY A 98 -18.819 -1.689 -7.945 1.00 32.23 H new ATOM 0 HA3 GLY A 98 -17.511 -0.775 -7.222 1.00 32.23 H new ATOM 1527 N ALA A 99 -16.458 -3.239 -9.029 1.00 2.11 N ATOM 1528 CA ALA A 99 -15.601 -3.638 -10.145 1.00 41.51 C ATOM 1529 C ALA A 99 -14.352 -2.762 -10.223 1.00 31.32 C ATOM 1530 O ALA A 99 -13.767 -2.590 -11.294 1.00 54.11 O ATOM 1531 CB ALA A 99 -16.378 -3.585 -11.457 1.00 5.35 C ATOM 0 H ALA A 99 -16.670 -3.997 -8.380 1.00 2.11 H new ATOM 0 HA ALA A 99 -15.278 -4.665 -9.973 1.00 41.51 H new ATOM 0 HB1 ALA A 99 -15.727 -3.885 -12.278 1.00 5.35 H new ATOM 0 HB2 ALA A 99 -17.229 -4.263 -11.403 1.00 5.35 H new ATOM 0 HB3 ALA A 99 -16.734 -2.569 -11.628 1.00 5.35 H new ATOM 1537 N ARG A 100 -13.926 -2.235 -9.076 1.00 60.25 N ATOM 1538 CA ARG A 100 -12.800 -1.307 -9.034 1.00 53.11 C ATOM 1539 C ARG A 100 -11.464 -2.031 -9.123 1.00 32.41 C ATOM 1540 O ARG A 100 -10.424 -1.396 -9.270 1.00 30.34 O ATOM 1541 CB ARG A 100 -12.844 -0.450 -7.771 1.00 53.30 C ATOM 1542 CG ARG A 100 -13.980 0.559 -7.762 1.00 61.33 C ATOM 1543 CD ARG A 100 -13.820 1.563 -6.633 1.00 31.11 C ATOM 1544 NE ARG A 100 -14.833 2.613 -6.685 1.00 3.13 N ATOM 1545 CZ ARG A 100 -14.564 3.894 -6.938 1.00 32.41 C ATOM 1546 NH1 ARG A 100 -13.319 4.281 -7.194 1.00 51.23 N ATOM 1547 NH2 ARG A 100 -15.545 4.787 -6.941 1.00 52.54 N ATOM 0 H ARG A 100 -14.343 -2.435 -8.167 1.00 60.25 H new ATOM 0 HA ARG A 100 -12.891 -0.659 -9.906 1.00 53.11 H new ATOM 0 HB2 ARG A 100 -12.941 -1.102 -6.903 1.00 53.30 H new ATOM 0 HB3 ARG A 100 -11.897 0.080 -7.668 1.00 53.30 H new ATOM 0 HG2 ARG A 100 -14.010 1.084 -8.717 1.00 61.33 H new ATOM 0 HG3 ARG A 100 -14.931 0.037 -7.655 1.00 61.33 H new ATOM 0 HD2 ARG A 100 -13.884 1.045 -5.676 1.00 31.11 H new ATOM 0 HD3 ARG A 100 -12.829 2.013 -6.686 1.00 31.11 H new ATOM 0 HE ARG A 100 -15.804 2.351 -6.518 1.00 3.13 H new ATOM 0 HH11 ARG A 100 -12.563 3.597 -7.198 1.00 51.23 H new ATOM 0 HH12 ARG A 100 -13.119 5.263 -7.387 1.00 51.23 H new ATOM 0 HH21 ARG A 100 -16.503 4.493 -6.750 1.00 52.54 H new ATOM 0 HH22 ARG A 100 -15.341 5.768 -7.134 1.00 52.54 H new ATOM 1561 N GLY A 101 -11.491 -3.350 -9.022 1.00 33.41 N ATOM 1562 CA GLY A 101 -10.275 -4.116 -9.175 1.00 23.25 C ATOM 1563 C GLY A 101 -9.936 -4.910 -7.940 1.00 24.01 C ATOM 1564 O GLY A 101 -10.623 -5.878 -7.602 1.00 43.45 O ATOM 0 H GLY A 101 -12.329 -3.901 -8.838 1.00 33.41 H new ATOM 0 HA2 GLY A 101 -10.380 -4.794 -10.022 1.00 23.25 H new ATOM 0 HA3 GLY A 101 -9.451 -3.441 -9.407 1.00 23.25 H new ATOM 1568 N THR A 102 -8.889 -4.489 -7.259 1.00 75.11 N ATOM 1569 CA THR A 102 -8.426 -5.179 -6.073 1.00 10.12 C ATOM 1570 C THR A 102 -8.328 -4.230 -4.888 1.00 24.35 C ATOM 1571 O THR A 102 -7.821 -3.111 -5.008 1.00 5.40 O ATOM 1572 CB THR A 102 -7.055 -5.826 -6.321 1.00 31.31 C ATOM 1573 OG1 THR A 102 -7.109 -6.599 -7.522 1.00 65.33 O ATOM 1574 CG2 THR A 102 -6.650 -6.723 -5.159 1.00 13.12 C ATOM 0 H THR A 102 -8.340 -3.667 -7.509 1.00 75.11 H new ATOM 0 HA THR A 102 -9.155 -5.956 -5.842 1.00 10.12 H new ATOM 0 HB THR A 102 -6.312 -5.034 -6.415 1.00 31.31 H new ATOM 0 HG1 THR A 102 -6.664 -6.111 -8.246 1.00 65.33 H new ATOM 0 HG21 THR A 102 -5.676 -7.166 -5.364 1.00 13.12 H new ATOM 0 HG22 THR A 102 -6.594 -6.132 -4.245 1.00 13.12 H new ATOM 0 HG23 THR A 102 -7.390 -7.514 -5.035 1.00 13.12 H new ATOM 1582 N GLU A 103 -8.839 -4.676 -3.756 1.00 23.31 N ATOM 1583 CA GLU A 103 -8.733 -3.930 -2.522 1.00 75.34 C ATOM 1584 C GLU A 103 -7.425 -4.286 -1.828 1.00 12.40 C ATOM 1585 O GLU A 103 -7.282 -5.384 -1.287 1.00 43.25 O ATOM 1586 CB GLU A 103 -9.924 -4.248 -1.608 1.00 10.13 C ATOM 1587 CG GLU A 103 -9.848 -3.582 -0.242 1.00 33.01 C ATOM 1588 CD GLU A 103 -10.949 -4.030 0.700 1.00 55.55 C ATOM 1589 OE1 GLU A 103 -10.842 -5.140 1.268 1.00 1.32 O ATOM 1590 OE2 GLU A 103 -11.918 -3.265 0.895 1.00 11.22 O ATOM 0 H GLU A 103 -9.337 -5.562 -3.669 1.00 23.31 H new ATOM 0 HA GLU A 103 -8.744 -2.863 -2.743 1.00 75.34 H new ATOM 0 HB2 GLU A 103 -10.843 -3.935 -2.103 1.00 10.13 H new ATOM 0 HB3 GLU A 103 -9.987 -5.328 -1.472 1.00 10.13 H new ATOM 0 HG2 GLU A 103 -8.880 -3.801 0.209 1.00 33.01 H new ATOM 0 HG3 GLU A 103 -9.903 -2.501 -0.368 1.00 33.01 H new ATOM 1597 N VAL A 104 -6.457 -3.386 -1.885 1.00 50.35 N ATOM 1598 CA VAL A 104 -5.218 -3.602 -1.168 1.00 5.24 C ATOM 1599 C VAL A 104 -5.334 -3.033 0.242 1.00 51.12 C ATOM 1600 O VAL A 104 -5.312 -1.819 0.458 1.00 1.52 O ATOM 1601 CB VAL A 104 -3.974 -3.045 -1.916 1.00 74.35 C ATOM 1602 CG1 VAL A 104 -4.154 -1.601 -2.344 1.00 61.12 C ATOM 1603 CG2 VAL A 104 -2.723 -3.197 -1.066 1.00 25.30 C ATOM 0 H VAL A 104 -6.506 -2.514 -2.412 1.00 50.35 H new ATOM 0 HA VAL A 104 -5.057 -4.678 -1.105 1.00 5.24 H new ATOM 0 HB VAL A 104 -3.859 -3.637 -2.824 1.00 74.35 H new ATOM 0 HG11 VAL A 104 -3.257 -1.260 -2.862 1.00 61.12 H new ATOM 0 HG12 VAL A 104 -5.011 -1.524 -3.013 1.00 61.12 H new ATOM 0 HG13 VAL A 104 -4.323 -0.979 -1.465 1.00 61.12 H new ATOM 0 HG21 VAL A 104 -1.864 -2.801 -1.608 1.00 25.30 H new ATOM 0 HG22 VAL A 104 -2.848 -2.647 -0.133 1.00 25.30 H new ATOM 0 HG23 VAL A 104 -2.558 -4.252 -0.846 1.00 25.30 H new ATOM 1613 N VAL A 105 -5.518 -3.937 1.189 1.00 32.23 N ATOM 1614 CA VAL A 105 -5.709 -3.578 2.580 1.00 25.12 C ATOM 1615 C VAL A 105 -4.368 -3.493 3.278 1.00 51.15 C ATOM 1616 O VAL A 105 -3.673 -4.499 3.439 1.00 35.41 O ATOM 1617 CB VAL A 105 -6.605 -4.607 3.293 1.00 74.30 C ATOM 1618 CG1 VAL A 105 -6.941 -4.163 4.703 1.00 12.14 C ATOM 1619 CG2 VAL A 105 -7.874 -4.832 2.499 1.00 71.23 C ATOM 0 H VAL A 105 -5.539 -4.941 1.013 1.00 32.23 H new ATOM 0 HA VAL A 105 -6.201 -2.606 2.620 1.00 25.12 H new ATOM 0 HB VAL A 105 -6.053 -5.545 3.359 1.00 74.30 H new ATOM 0 HG11 VAL A 105 -7.575 -4.911 5.179 1.00 12.14 H new ATOM 0 HG12 VAL A 105 -6.022 -4.048 5.277 1.00 12.14 H new ATOM 0 HG13 VAL A 105 -7.469 -3.210 4.668 1.00 12.14 H new ATOM 0 HG21 VAL A 105 -8.500 -5.562 3.013 1.00 71.23 H new ATOM 0 HG22 VAL A 105 -8.416 -3.891 2.405 1.00 71.23 H new ATOM 0 HG23 VAL A 105 -7.621 -5.206 1.507 1.00 71.23 H new ATOM 1629 N VAL A 106 -4.006 -2.290 3.671 1.00 65.14 N ATOM 1630 CA VAL A 106 -2.702 -2.041 4.248 1.00 23.34 C ATOM 1631 C VAL A 106 -2.815 -1.580 5.695 1.00 40.30 C ATOM 1632 O VAL A 106 -3.395 -0.531 5.989 1.00 20.11 O ATOM 1633 CB VAL A 106 -1.928 -0.977 3.437 1.00 20.04 C ATOM 1634 CG1 VAL A 106 -0.531 -0.778 3.999 1.00 73.24 C ATOM 1635 CG2 VAL A 106 -1.861 -1.355 1.961 1.00 71.00 C ATOM 0 H VAL A 106 -4.601 -1.464 3.601 1.00 65.14 H new ATOM 0 HA VAL A 106 -2.156 -2.984 4.217 1.00 23.34 H new ATOM 0 HB VAL A 106 -2.470 -0.035 3.523 1.00 20.04 H new ATOM 0 HG11 VAL A 106 -0.006 -0.025 3.411 1.00 73.24 H new ATOM 0 HG12 VAL A 106 -0.599 -0.447 5.035 1.00 73.24 H new ATOM 0 HG13 VAL A 106 0.017 -1.719 3.954 1.00 73.24 H new ATOM 0 HG21 VAL A 106 -1.311 -0.589 1.414 1.00 71.00 H new ATOM 0 HG22 VAL A 106 -1.353 -2.313 1.854 1.00 71.00 H new ATOM 0 HG23 VAL A 106 -2.871 -1.433 1.559 1.00 71.00 H new ATOM 1645 N ARG A 107 -2.280 -2.382 6.599 1.00 75.21 N ATOM 1646 CA ARG A 107 -2.119 -1.966 7.979 1.00 74.01 C ATOM 1647 C ARG A 107 -0.692 -1.473 8.152 1.00 51.10 C ATOM 1648 O ARG A 107 0.252 -2.243 8.021 1.00 62.12 O ATOM 1649 CB ARG A 107 -2.435 -3.122 8.945 1.00 64.10 C ATOM 1650 CG ARG A 107 -2.456 -2.718 10.419 1.00 12.10 C ATOM 1651 CD ARG A 107 -1.090 -2.864 11.083 1.00 31.20 C ATOM 1652 NE ARG A 107 -0.700 -4.268 11.241 1.00 54.21 N ATOM 1653 CZ ARG A 107 0.149 -4.716 12.174 1.00 31.42 C ATOM 1654 NH1 ARG A 107 0.729 -3.867 13.020 1.00 72.33 N ATOM 1655 NH2 ARG A 107 0.418 -6.016 12.256 1.00 62.45 N ATOM 0 H ARG A 107 -1.950 -3.326 6.401 1.00 75.21 H new ATOM 0 HA ARG A 107 -2.819 -1.164 8.215 1.00 74.01 H new ATOM 0 HB2 ARG A 107 -3.404 -3.546 8.682 1.00 64.10 H new ATOM 0 HB3 ARG A 107 -1.694 -3.910 8.806 1.00 64.10 H new ATOM 0 HG2 ARG A 107 -2.790 -1.684 10.504 1.00 12.10 H new ATOM 0 HG3 ARG A 107 -3.183 -3.332 10.951 1.00 12.10 H new ATOM 0 HD2 ARG A 107 -0.340 -2.345 10.486 1.00 31.20 H new ATOM 0 HD3 ARG A 107 -1.109 -2.382 12.060 1.00 31.20 H new ATOM 0 HE ARG A 107 -1.102 -4.949 10.597 1.00 54.21 H new ATOM 0 HH11 ARG A 107 0.527 -2.869 12.959 1.00 72.33 H new ATOM 0 HH12 ARG A 107 1.375 -4.215 13.729 1.00 72.33 H new ATOM 0 HH21 ARG A 107 -0.022 -6.670 11.609 1.00 62.45 H new ATOM 0 HH22 ARG A 107 1.065 -6.359 12.966 1.00 62.45 H new ATOM 1669 N LEU A 108 -0.536 -0.190 8.413 1.00 51.00 N ATOM 1670 CA LEU A 108 0.783 0.415 8.459 1.00 62.25 C ATOM 1671 C LEU A 108 1.015 1.077 9.809 1.00 12.24 C ATOM 1672 O LEU A 108 0.212 1.901 10.252 1.00 74.31 O ATOM 1673 CB LEU A 108 0.917 1.455 7.340 1.00 21.31 C ATOM 1674 CG LEU A 108 2.239 1.439 6.557 1.00 15.14 C ATOM 1675 CD1 LEU A 108 3.433 1.570 7.487 1.00 40.32 C ATOM 1676 CD2 LEU A 108 2.345 0.172 5.723 1.00 51.30 C ATOM 0 H LEU A 108 -1.305 0.454 8.597 1.00 51.00 H new ATOM 0 HA LEU A 108 1.531 -0.365 8.318 1.00 62.25 H new ATOM 0 HB2 LEU A 108 0.099 1.308 6.635 1.00 21.31 H new ATOM 0 HB3 LEU A 108 0.788 2.446 7.775 1.00 21.31 H new ATOM 0 HG LEU A 108 2.244 2.299 5.888 1.00 15.14 H new ATOM 0 HD11 LEU A 108 4.353 1.555 6.902 1.00 40.32 H new ATOM 0 HD12 LEU A 108 3.366 2.510 8.035 1.00 40.32 H new ATOM 0 HD13 LEU A 108 3.438 0.739 8.192 1.00 40.32 H new ATOM 0 HD21 LEU A 108 3.287 0.175 5.174 1.00 51.30 H new ATOM 0 HD22 LEU A 108 2.310 -0.699 6.378 1.00 51.30 H new ATOM 0 HD23 LEU A 108 1.515 0.130 5.018 1.00 51.30 H new ATOM 1688 N THR A 109 2.094 0.704 10.471 1.00 54.02 N ATOM 1689 CA THR A 109 2.482 1.369 11.696 1.00 42.23 C ATOM 1690 C THR A 109 3.672 2.277 11.438 1.00 32.20 C ATOM 1691 O THR A 109 4.752 1.814 11.073 1.00 11.11 O ATOM 1692 CB THR A 109 2.826 0.349 12.794 1.00 52.15 C ATOM 1693 OG1 THR A 109 3.690 -0.670 12.266 1.00 24.35 O ATOM 1694 CG2 THR A 109 1.565 -0.287 13.338 1.00 20.15 C ATOM 0 H THR A 109 2.714 -0.053 10.181 1.00 54.02 H new ATOM 0 HA THR A 109 1.639 1.968 12.041 1.00 42.23 H new ATOM 0 HB THR A 109 3.336 0.871 13.603 1.00 52.15 H new ATOM 0 HG1 THR A 109 4.329 -0.946 12.955 1.00 24.35 H new ATOM 0 HG21 THR A 109 1.826 -1.006 14.114 1.00 20.15 H new ATOM 0 HG22 THR A 109 0.921 0.485 13.760 1.00 20.15 H new ATOM 0 HG23 THR A 109 1.038 -0.798 12.532 1.00 20.15 H new ATOM 1702 N TYR A 110 3.463 3.568 11.634 1.00 24.14 N ATOM 1703 CA TYR A 110 4.485 4.570 11.355 1.00 63.44 C ATOM 1704 C TYR A 110 4.016 5.931 11.837 1.00 53.23 C ATOM 1705 O TYR A 110 2.819 6.196 11.871 1.00 12.51 O ATOM 1706 CB TYR A 110 4.795 4.635 9.847 1.00 2.51 C ATOM 1707 CG TYR A 110 3.702 5.270 9.003 1.00 64.42 C ATOM 1708 CD1 TYR A 110 2.463 4.660 8.849 1.00 61.23 C ATOM 1709 CD2 TYR A 110 3.916 6.483 8.357 1.00 0.33 C ATOM 1710 CE1 TYR A 110 1.473 5.238 8.078 1.00 11.11 C ATOM 1711 CE2 TYR A 110 2.930 7.067 7.583 1.00 21.24 C ATOM 1712 CZ TYR A 110 1.709 6.441 7.448 1.00 54.44 C ATOM 1713 OH TYR A 110 0.718 7.018 6.680 1.00 70.04 O ATOM 0 H TYR A 110 2.587 3.952 11.989 1.00 24.14 H new ATOM 0 HA TYR A 110 5.395 4.287 11.884 1.00 63.44 H new ATOM 0 HB2 TYR A 110 5.719 5.196 9.703 1.00 2.51 H new ATOM 0 HB3 TYR A 110 4.976 3.624 9.483 1.00 2.51 H new ATOM 0 HD1 TYR A 110 2.271 3.718 9.341 1.00 61.23 H new ATOM 0 HD2 TYR A 110 4.870 6.978 8.462 1.00 0.33 H new ATOM 0 HE1 TYR A 110 0.517 4.748 7.969 1.00 11.11 H new ATOM 0 HE2 TYR A 110 3.115 8.008 7.087 1.00 21.24 H new ATOM 0 HH TYR A 110 0.994 7.022 5.740 1.00 70.04 H new ATOM 1782 N GLY A 115 7.871 17.550 7.574 1.00 23.23 N ATOM 1783 CA GLY A 115 8.981 18.302 7.031 1.00 33.30 C ATOM 1784 C GLY A 115 9.113 18.163 5.528 1.00 5.34 C ATOM 1785 O GLY A 115 8.455 18.884 4.773 1.00 44.33 O ATOM 0 HA2 GLY A 115 8.857 19.355 7.283 1.00 33.30 H new ATOM 0 HA3 GLY A 115 9.905 17.968 7.504 1.00 33.30 H new ATOM 1789 N SER A 116 9.945 17.224 5.097 1.00 3.44 N ATOM 1790 CA SER A 116 10.289 17.077 3.686 1.00 73.32 C ATOM 1791 C SER A 116 9.059 16.728 2.852 1.00 20.23 C ATOM 1792 O SER A 116 8.789 17.362 1.828 1.00 42.34 O ATOM 1793 CB SER A 116 11.366 16.000 3.522 1.00 1.20 C ATOM 1794 OG SER A 116 11.951 16.043 2.229 1.00 62.34 O ATOM 0 H SER A 116 10.399 16.546 5.710 1.00 3.44 H new ATOM 0 HA SER A 116 10.677 18.030 3.327 1.00 73.32 H new ATOM 0 HB2 SER A 116 12.139 16.139 4.277 1.00 1.20 H new ATOM 0 HB3 SER A 116 10.928 15.017 3.692 1.00 1.20 H new ATOM 0 HG SER A 116 12.635 15.345 2.156 1.00 62.34 H new ATOM 1800 N ALA A 117 8.304 15.732 3.305 1.00 43.35 N ATOM 1801 CA ALA A 117 7.104 15.301 2.599 1.00 34.42 C ATOM 1802 C ALA A 117 6.079 16.426 2.525 1.00 25.10 C ATOM 1803 O ALA A 117 5.323 16.525 1.563 1.00 24.14 O ATOM 1804 CB ALA A 117 6.505 14.076 3.270 1.00 5.11 C ATOM 0 H ALA A 117 8.503 15.209 4.158 1.00 43.35 H new ATOM 0 HA ALA A 117 7.387 15.036 1.580 1.00 34.42 H new ATOM 0 HB1 ALA A 117 5.610 13.767 2.731 1.00 5.11 H new ATOM 0 HB2 ALA A 117 7.232 13.264 3.261 1.00 5.11 H new ATOM 0 HB3 ALA A 117 6.243 14.317 4.300 1.00 5.11 H new ATOM 1810 N GLY A 118 6.081 17.289 3.537 1.00 74.45 N ATOM 1811 CA GLY A 118 5.154 18.404 3.569 1.00 62.31 C ATOM 1812 C GLY A 118 5.444 19.426 2.488 1.00 32.11 C ATOM 1813 O GLY A 118 4.565 20.191 2.093 1.00 2.54 O ATOM 0 H GLY A 118 6.711 17.235 4.337 1.00 74.45 H new ATOM 0 HA2 GLY A 118 4.137 18.031 3.450 1.00 62.31 H new ATOM 0 HA3 GLY A 118 5.204 18.887 4.545 1.00 62.31 H new ATOM 1817 N ALA A 119 6.675 19.434 2.004 1.00 13.34 N ATOM 1818 CA ALA A 119 7.075 20.364 0.961 1.00 53.11 C ATOM 1819 C ALA A 119 6.731 19.819 -0.420 1.00 62.12 C ATOM 1820 O ALA A 119 6.266 20.555 -1.289 1.00 13.14 O ATOM 1821 CB ALA A 119 8.562 20.662 1.063 1.00 43.20 C ATOM 0 H ALA A 119 7.415 18.806 2.317 1.00 13.34 H new ATOM 0 HA ALA A 119 6.522 21.293 1.102 1.00 53.11 H new ATOM 0 HB1 ALA A 119 8.848 21.360 0.276 1.00 43.20 H new ATOM 0 HB2 ALA A 119 8.779 21.104 2.036 1.00 43.20 H new ATOM 0 HB3 ALA A 119 9.127 19.737 0.951 1.00 43.20 H new ATOM 1827 N VAL A 120 6.939 18.522 -0.616 1.00 43.24 N ATOM 1828 CA VAL A 120 6.735 17.913 -1.922 1.00 64.41 C ATOM 1829 C VAL A 120 5.250 17.748 -2.250 1.00 74.10 C ATOM 1830 O VAL A 120 4.850 17.863 -3.411 1.00 0.34 O ATOM 1831 CB VAL A 120 7.458 16.554 -2.047 1.00 2.30 C ATOM 1832 CG1 VAL A 120 8.962 16.739 -1.917 1.00 13.11 C ATOM 1833 CG2 VAL A 120 6.953 15.558 -1.015 1.00 20.11 C ATOM 0 H VAL A 120 7.247 17.876 0.110 1.00 43.24 H new ATOM 0 HA VAL A 120 7.172 18.599 -2.648 1.00 64.41 H new ATOM 0 HB VAL A 120 7.238 16.149 -3.035 1.00 2.30 H new ATOM 0 HG11 VAL A 120 9.457 15.772 -2.007 1.00 13.11 H new ATOM 0 HG12 VAL A 120 9.316 17.403 -2.705 1.00 13.11 H new ATOM 0 HG13 VAL A 120 9.192 17.175 -0.945 1.00 13.11 H new ATOM 0 HG21 VAL A 120 7.483 14.613 -1.132 1.00 20.11 H new ATOM 0 HG22 VAL A 120 7.128 15.951 -0.014 1.00 20.11 H new ATOM 0 HG23 VAL A 120 5.885 15.395 -1.159 1.00 20.11 H new ATOM 1843 N ILE A 121 4.424 17.504 -1.234 1.00 74.31 N ATOM 1844 CA ILE A 121 2.989 17.342 -1.457 1.00 11.33 C ATOM 1845 C ILE A 121 2.347 18.668 -1.851 1.00 2.14 C ATOM 1846 O ILE A 121 1.313 18.696 -2.518 1.00 2.23 O ATOM 1847 CB ILE A 121 2.256 16.764 -0.227 1.00 42.34 C ATOM 1848 CG1 ILE A 121 2.419 17.684 0.986 1.00 22.34 C ATOM 1849 CG2 ILE A 121 2.771 15.366 0.080 1.00 54.30 C ATOM 1850 CD1 ILE A 121 1.662 17.218 2.211 1.00 4.52 C ATOM 0 H ILE A 121 4.718 17.415 -0.261 1.00 74.31 H new ATOM 0 HA ILE A 121 2.887 16.626 -2.273 1.00 11.33 H new ATOM 0 HB ILE A 121 1.192 16.699 -0.455 1.00 42.34 H new ATOM 0 HG12 ILE A 121 3.478 17.761 1.232 1.00 22.34 H new ATOM 0 HG13 ILE A 121 2.080 18.685 0.720 1.00 22.34 H new ATOM 0 HG21 ILE A 121 2.247 14.968 0.949 1.00 54.30 H new ATOM 0 HG22 ILE A 121 2.595 14.717 -0.778 1.00 54.30 H new ATOM 0 HG23 ILE A 121 3.840 15.410 0.289 1.00 54.30 H new ATOM 0 HD11 ILE A 121 1.826 17.920 3.029 1.00 4.52 H new ATOM 0 HD12 ILE A 121 0.597 17.168 1.984 1.00 4.52 H new ATOM 0 HD13 ILE A 121 2.017 16.230 2.504 1.00 4.52 H new ATOM 1862 N ALA A 122 2.990 19.763 -1.463 1.00 11.14 N ATOM 1863 CA ALA A 122 2.486 21.095 -1.765 1.00 30.21 C ATOM 1864 C ALA A 122 2.696 21.436 -3.238 1.00 2.14 C ATOM 1865 O ALA A 122 2.023 22.307 -3.781 1.00 11.12 O ATOM 1866 CB ALA A 122 3.160 22.133 -0.881 1.00 21.24 C ATOM 0 H ALA A 122 3.864 19.753 -0.937 1.00 11.14 H new ATOM 0 HA ALA A 122 1.415 21.105 -1.561 1.00 30.21 H new ATOM 0 HB1 ALA A 122 2.771 23.123 -1.121 1.00 21.24 H new ATOM 0 HB2 ALA A 122 2.957 21.907 0.166 1.00 21.24 H new ATOM 0 HB3 ALA A 122 4.236 22.114 -1.054 1.00 21.24 H new ATOM 1872 N ARG A 123 3.630 20.740 -3.876 1.00 60.31 N ATOM 1873 CA ARG A 123 3.924 20.974 -5.282 1.00 1.32 C ATOM 1874 C ARG A 123 2.993 20.154 -6.167 1.00 23.31 C ATOM 1875 O ARG A 123 2.486 20.640 -7.176 1.00 75.41 O ATOM 1876 CB ARG A 123 5.375 20.608 -5.589 1.00 50.14 C ATOM 1877 CG ARG A 123 5.830 21.035 -6.975 1.00 10.24 C ATOM 1878 CD ARG A 123 7.176 20.434 -7.324 1.00 22.14 C ATOM 1879 NE ARG A 123 7.768 21.060 -8.504 1.00 1.33 N ATOM 1880 CZ ARG A 123 8.415 20.392 -9.457 1.00 12.32 C ATOM 1881 NH1 ARG A 123 8.398 19.065 -9.472 1.00 30.42 N ATOM 1882 NH2 ARG A 123 9.045 21.057 -10.418 1.00 60.03 N ATOM 0 H ARG A 123 4.195 20.010 -3.441 1.00 60.31 H new ATOM 0 HA ARG A 123 3.770 22.033 -5.490 1.00 1.32 H new ATOM 0 HB2 ARG A 123 6.023 21.071 -4.844 1.00 50.14 H new ATOM 0 HB3 ARG A 123 5.497 19.529 -5.492 1.00 50.14 H new ATOM 0 HG2 ARG A 123 5.090 20.727 -7.714 1.00 10.24 H new ATOM 0 HG3 ARG A 123 5.892 22.122 -7.020 1.00 10.24 H new ATOM 0 HD2 ARG A 123 7.853 20.545 -6.477 1.00 22.14 H new ATOM 0 HD3 ARG A 123 7.060 19.365 -7.501 1.00 22.14 H new ATOM 0 HE ARG A 123 7.680 22.071 -8.604 1.00 1.33 H new ATOM 0 HH11 ARG A 123 7.888 18.553 -8.752 1.00 30.42 H new ATOM 0 HH12 ARG A 123 8.895 18.557 -10.204 1.00 30.42 H new ATOM 0 HH21 ARG A 123 9.033 22.077 -10.425 1.00 60.03 H new ATOM 0 HH22 ARG A 123 9.541 20.548 -11.149 1.00 60.03 H new ATOM 1896 N MET A 124 2.786 18.897 -5.792 1.00 73.42 N ATOM 1897 CA MET A 124 1.919 18.008 -6.556 1.00 72.55 C ATOM 1898 C MET A 124 0.448 18.385 -6.382 1.00 40.42 C ATOM 1899 O MET A 124 -0.371 18.124 -7.264 1.00 11.20 O ATOM 1900 CB MET A 124 2.151 16.549 -6.152 1.00 32.03 C ATOM 1901 CG MET A 124 1.889 16.266 -4.685 1.00 73.52 C ATOM 1902 SD MET A 124 2.169 14.538 -4.252 1.00 5.15 S ATOM 1903 CE MET A 124 3.918 14.369 -4.613 1.00 42.24 C ATOM 0 H MET A 124 3.206 18.471 -4.966 1.00 73.42 H new ATOM 0 HA MET A 124 2.172 18.121 -7.610 1.00 72.55 H new ATOM 0 HB2 MET A 124 1.507 15.909 -6.756 1.00 32.03 H new ATOM 0 HB3 MET A 124 3.180 16.277 -6.386 1.00 32.03 H new ATOM 0 HG2 MET A 124 2.534 16.899 -4.076 1.00 73.52 H new ATOM 0 HG3 MET A 124 0.860 16.535 -4.445 1.00 73.52 H new ATOM 0 HE1 MET A 124 4.317 13.505 -4.082 1.00 42.24 H new ATOM 0 HE2 MET A 124 4.057 14.232 -5.685 1.00 42.24 H new ATOM 0 HE3 MET A 124 4.444 15.267 -4.291 1.00 42.24 H new ATOM 2057 N ARG A 134 -7.427 10.329 4.570 1.00 44.23 N ATOM 2058 CA ARG A 134 -6.647 9.272 3.927 1.00 71.34 C ATOM 2059 C ARG A 134 -5.635 9.892 2.968 1.00 33.34 C ATOM 2060 O ARG A 134 -5.240 9.277 1.981 1.00 12.42 O ATOM 2061 CB ARG A 134 -7.560 8.297 3.167 1.00 1.31 C ATOM 2062 CG ARG A 134 -8.200 7.230 4.043 1.00 33.12 C ATOM 2063 CD ARG A 134 -9.191 7.820 5.029 1.00 31.31 C ATOM 2064 NE ARG A 134 -9.614 6.845 6.027 1.00 75.24 N ATOM 2065 CZ ARG A 134 -10.393 7.137 7.067 1.00 50.42 C ATOM 2066 NH1 ARG A 134 -10.927 8.346 7.185 1.00 21.13 N ATOM 2067 NH2 ARG A 134 -10.657 6.207 7.976 1.00 61.53 N ATOM 0 HA ARG A 134 -6.122 8.712 4.701 1.00 71.34 H new ATOM 0 HB2 ARG A 134 -8.348 8.865 2.672 1.00 1.31 H new ATOM 0 HB3 ARG A 134 -6.980 7.808 2.384 1.00 1.31 H new ATOM 0 HG2 ARG A 134 -8.708 6.500 3.412 1.00 33.12 H new ATOM 0 HG3 ARG A 134 -7.422 6.694 4.588 1.00 33.12 H new ATOM 0 HD2 ARG A 134 -8.739 8.677 5.528 1.00 31.31 H new ATOM 0 HD3 ARG A 134 -10.063 8.189 4.490 1.00 31.31 H new ATOM 0 HE ARG A 134 -9.294 5.882 5.923 1.00 75.24 H new ATOM 0 HH11 ARG A 134 -10.742 9.057 6.477 1.00 21.13 H new ATOM 0 HH12 ARG A 134 -11.523 8.565 7.983 1.00 21.13 H new ATOM 0 HH21 ARG A 134 -10.264 5.271 7.877 1.00 61.53 H new ATOM 0 HH22 ARG A 134 -11.253 6.428 8.773 1.00 61.53 H new ATOM 2081 N ASP A 135 -5.200 11.097 3.315 1.00 3.21 N ATOM 2082 CA ASP A 135 -4.348 11.935 2.471 1.00 24.34 C ATOM 2083 C ASP A 135 -3.143 11.169 1.915 1.00 42.52 C ATOM 2084 O ASP A 135 -2.896 11.177 0.708 1.00 33.01 O ATOM 2085 CB ASP A 135 -3.884 13.144 3.294 1.00 74.05 C ATOM 2086 CG ASP A 135 -3.008 14.101 2.515 1.00 71.21 C ATOM 2087 OD1 ASP A 135 -3.489 14.683 1.524 1.00 21.31 O ATOM 2088 OD2 ASP A 135 -1.837 14.291 2.904 1.00 4.43 O ATOM 0 H ASP A 135 -5.433 11.531 4.208 1.00 3.21 H new ATOM 0 HA ASP A 135 -4.930 12.262 1.609 1.00 24.34 H new ATOM 0 HB2 ASP A 135 -4.758 13.681 3.662 1.00 74.05 H new ATOM 0 HB3 ASP A 135 -3.336 12.791 4.168 1.00 74.05 H new ATOM 2093 N ASP A 136 -2.427 10.479 2.792 1.00 1.33 N ATOM 2094 CA ASP A 136 -1.211 9.768 2.396 1.00 34.23 C ATOM 2095 C ASP A 136 -1.525 8.588 1.474 1.00 43.32 C ATOM 2096 O ASP A 136 -0.815 8.342 0.496 1.00 14.03 O ATOM 2097 CB ASP A 136 -0.458 9.279 3.640 1.00 61.40 C ATOM 2098 CG ASP A 136 0.772 8.455 3.302 1.00 72.42 C ATOM 2099 OD1 ASP A 136 1.579 8.896 2.457 1.00 40.20 O ATOM 2100 OD2 ASP A 136 0.938 7.358 3.882 1.00 3.23 O ATOM 0 H ASP A 136 -2.663 10.394 3.781 1.00 1.33 H new ATOM 0 HA ASP A 136 -0.581 10.465 1.843 1.00 34.23 H new ATOM 0 HB2 ASP A 136 -0.159 10.139 4.239 1.00 61.40 H new ATOM 0 HB3 ASP A 136 -1.132 8.681 4.254 1.00 61.40 H new ATOM 2105 N LEU A 137 -2.604 7.878 1.770 1.00 11.31 N ATOM 2106 CA LEU A 137 -2.946 6.674 1.033 1.00 33.44 C ATOM 2107 C LEU A 137 -3.621 7.022 -0.297 1.00 3.35 C ATOM 2108 O LEU A 137 -3.627 6.217 -1.225 1.00 1.34 O ATOM 2109 CB LEU A 137 -3.843 5.775 1.894 1.00 24.34 C ATOM 2110 CG LEU A 137 -3.894 4.300 1.479 1.00 33.34 C ATOM 2111 CD1 LEU A 137 -2.489 3.731 1.341 1.00 4.15 C ATOM 2112 CD2 LEU A 137 -4.685 3.486 2.491 1.00 73.35 C ATOM 0 H LEU A 137 -3.257 8.117 2.516 1.00 11.31 H new ATOM 0 HA LEU A 137 -2.031 6.129 0.801 1.00 33.44 H new ATOM 0 HB2 LEU A 137 -3.500 5.832 2.927 1.00 24.34 H new ATOM 0 HB3 LEU A 137 -4.857 6.175 1.872 1.00 24.34 H new ATOM 0 HG LEU A 137 -4.393 4.239 0.512 1.00 33.34 H new ATOM 0 HD11 LEU A 137 -2.548 2.683 1.046 1.00 4.15 H new ATOM 0 HD12 LEU A 137 -1.942 4.291 0.583 1.00 4.15 H new ATOM 0 HD13 LEU A 137 -1.969 3.810 2.296 1.00 4.15 H new ATOM 0 HD21 LEU A 137 -4.710 2.442 2.179 1.00 73.35 H new ATOM 0 HD22 LEU A 137 -4.210 3.561 3.469 1.00 73.35 H new ATOM 0 HD23 LEU A 137 -5.703 3.871 2.551 1.00 73.35 H new ATOM 2124 N MET A 138 -4.171 8.231 -0.391 1.00 72.32 N ATOM 2125 CA MET A 138 -4.837 8.682 -1.616 1.00 1.30 C ATOM 2126 C MET A 138 -3.830 8.897 -2.741 1.00 34.32 C ATOM 2127 O MET A 138 -4.069 8.499 -3.883 1.00 2.10 O ATOM 2128 CB MET A 138 -5.626 9.975 -1.379 1.00 3.22 C ATOM 2129 CG MET A 138 -6.863 9.823 -0.499 1.00 20.02 C ATOM 2130 SD MET A 138 -8.132 8.743 -1.202 1.00 2.01 S ATOM 2131 CE MET A 138 -7.521 7.119 -0.753 1.00 11.32 C ATOM 0 H MET A 138 -4.170 8.917 0.364 1.00 72.32 H new ATOM 0 HA MET A 138 -5.534 7.897 -1.909 1.00 1.30 H new ATOM 0 HB2 MET A 138 -4.962 10.710 -0.923 1.00 3.22 H new ATOM 0 HB3 MET A 138 -5.932 10.378 -2.344 1.00 3.22 H new ATOM 0 HG2 MET A 138 -6.561 9.429 0.471 1.00 20.02 H new ATOM 0 HG3 MET A 138 -7.295 10.808 -0.322 1.00 20.02 H new ATOM 0 HE1 MET A 138 -7.179 6.599 -1.648 1.00 11.32 H new ATOM 0 HE2 MET A 138 -6.691 7.223 -0.054 1.00 11.32 H new ATOM 0 HE3 MET A 138 -8.321 6.546 -0.284 1.00 11.32 H new ATOM 2141 N ARG A 139 -2.706 9.531 -2.420 1.00 5.31 N ATOM 2142 CA ARG A 139 -1.653 9.761 -3.409 1.00 70.25 C ATOM 2143 C ARG A 139 -1.067 8.436 -3.875 1.00 20.15 C ATOM 2144 O ARG A 139 -0.836 8.230 -5.066 1.00 24.34 O ATOM 2145 CB ARG A 139 -0.555 10.655 -2.833 1.00 43.43 C ATOM 2146 CG ARG A 139 -0.977 12.107 -2.705 1.00 11.21 C ATOM 2147 CD ARG A 139 0.142 12.981 -2.161 1.00 12.21 C ATOM 2148 NE ARG A 139 0.415 12.724 -0.749 1.00 21.10 N ATOM 2149 CZ ARG A 139 -0.252 13.301 0.249 1.00 32.13 C ATOM 2150 NH1 ARG A 139 -1.258 14.124 -0.011 1.00 71.42 N ATOM 2151 NH2 ARG A 139 0.090 13.059 1.504 1.00 44.25 N ATOM 0 H ARG A 139 -2.500 9.893 -1.489 1.00 5.31 H new ATOM 0 HA ARG A 139 -2.093 10.270 -4.267 1.00 70.25 H new ATOM 0 HB2 ARG A 139 -0.266 10.279 -1.852 1.00 43.43 H new ATOM 0 HB3 ARG A 139 0.327 10.594 -3.470 1.00 43.43 H new ATOM 0 HG2 ARG A 139 -1.287 12.481 -3.680 1.00 11.21 H new ATOM 0 HG3 ARG A 139 -1.843 12.176 -2.047 1.00 11.21 H new ATOM 0 HD2 ARG A 139 1.049 12.808 -2.741 1.00 12.21 H new ATOM 0 HD3 ARG A 139 -0.124 14.030 -2.291 1.00 12.21 H new ATOM 0 HE ARG A 139 1.158 12.066 -0.514 1.00 21.10 H new ATOM 0 HH11 ARG A 139 -1.523 14.317 -0.977 1.00 71.42 H new ATOM 0 HH12 ARG A 139 -1.767 14.565 0.755 1.00 71.42 H new ATOM 0 HH21 ARG A 139 0.866 12.429 1.709 1.00 44.25 H new ATOM 0 HH22 ARG A 139 -0.422 13.502 2.267 1.00 44.25 H new ATOM 2165 N PHE A 140 -0.849 7.546 -2.918 1.00 12.35 N ATOM 2166 CA PHE A 140 -0.371 6.196 -3.193 1.00 61.53 C ATOM 2167 C PHE A 140 -1.359 5.462 -4.097 1.00 13.11 C ATOM 2168 O PHE A 140 -0.970 4.832 -5.074 1.00 71.42 O ATOM 2169 CB PHE A 140 -0.195 5.462 -1.857 1.00 15.24 C ATOM 2170 CG PHE A 140 0.269 4.041 -1.959 1.00 44.11 C ATOM 2171 CD1 PHE A 140 1.614 3.746 -2.116 1.00 51.24 C ATOM 2172 CD2 PHE A 140 -0.636 2.998 -1.873 1.00 34.13 C ATOM 2173 CE1 PHE A 140 2.044 2.437 -2.188 1.00 43.24 C ATOM 2174 CE2 PHE A 140 -0.212 1.687 -1.943 1.00 52.30 C ATOM 2175 CZ PHE A 140 1.129 1.406 -2.101 1.00 2.22 C ATOM 0 H PHE A 140 -0.998 7.738 -1.927 1.00 12.35 H new ATOM 0 HA PHE A 140 0.586 6.233 -3.713 1.00 61.53 H new ATOM 0 HB2 PHE A 140 0.520 6.017 -1.249 1.00 15.24 H new ATOM 0 HB3 PHE A 140 -1.146 5.478 -1.325 1.00 15.24 H new ATOM 0 HD1 PHE A 140 2.333 4.549 -2.183 1.00 51.24 H new ATOM 0 HD2 PHE A 140 -1.687 3.213 -1.750 1.00 34.13 H new ATOM 0 HE1 PHE A 140 3.094 2.219 -2.312 1.00 43.24 H new ATOM 0 HE2 PHE A 140 -0.929 0.882 -1.874 1.00 52.30 H new ATOM 0 HZ PHE A 140 1.463 0.381 -2.157 1.00 2.22 H new ATOM 2185 N LYS A 141 -2.639 5.575 -3.768 1.00 44.42 N ATOM 2186 CA LYS A 141 -3.712 4.983 -4.564 1.00 30.50 C ATOM 2187 C LYS A 141 -3.695 5.497 -6.004 1.00 52.24 C ATOM 2188 O LYS A 141 -3.710 4.712 -6.952 1.00 12.01 O ATOM 2189 CB LYS A 141 -5.065 5.307 -3.924 1.00 14.42 C ATOM 2190 CG LYS A 141 -6.258 5.100 -4.846 1.00 73.21 C ATOM 2191 CD LYS A 141 -7.512 5.725 -4.250 1.00 63.15 C ATOM 2192 CE LYS A 141 -8.614 5.904 -5.285 1.00 41.22 C ATOM 2193 NZ LYS A 141 -9.041 4.615 -5.884 1.00 11.51 N ATOM 0 H LYS A 141 -2.965 6.079 -2.943 1.00 44.42 H new ATOM 0 HA LYS A 141 -3.556 3.905 -4.588 1.00 30.50 H new ATOM 0 HB2 LYS A 141 -5.193 4.685 -3.038 1.00 14.42 H new ATOM 0 HB3 LYS A 141 -5.056 6.344 -3.588 1.00 14.42 H new ATOM 0 HG2 LYS A 141 -6.052 5.543 -5.820 1.00 73.21 H new ATOM 0 HG3 LYS A 141 -6.418 4.034 -5.008 1.00 73.21 H new ATOM 0 HD2 LYS A 141 -7.878 5.097 -3.438 1.00 63.15 H new ATOM 0 HD3 LYS A 141 -7.262 6.693 -3.817 1.00 63.15 H new ATOM 0 HE2 LYS A 141 -9.472 6.387 -4.818 1.00 41.22 H new ATOM 0 HE3 LYS A 141 -8.264 6.570 -6.074 1.00 41.22 H new ATOM 0 HZ1 LYS A 141 -10.079 4.548 -5.860 1.00 11.51 H new ATOM 0 HZ2 LYS A 141 -8.713 4.565 -6.870 1.00 11.51 H new ATOM 0 HZ3 LYS A 141 -8.631 3.828 -5.342 1.00 11.51 H new ATOM 2207 N ARG A 142 -3.665 6.822 -6.153 1.00 1.12 N ATOM 2208 CA ARG A 142 -3.770 7.458 -7.465 1.00 0.12 C ATOM 2209 C ARG A 142 -2.688 6.963 -8.424 1.00 50.31 C ATOM 2210 O ARG A 142 -2.961 6.723 -9.603 1.00 44.14 O ATOM 2211 CB ARG A 142 -3.709 8.985 -7.328 1.00 71.30 C ATOM 2212 CG ARG A 142 -3.794 9.724 -8.658 1.00 54.43 C ATOM 2213 CD ARG A 142 -3.919 11.229 -8.472 1.00 52.50 C ATOM 2214 NE ARG A 142 -5.213 11.607 -7.903 1.00 14.11 N ATOM 2215 CZ ARG A 142 -5.749 12.819 -8.020 1.00 43.32 C ATOM 2216 NH1 ARG A 142 -5.108 13.770 -8.686 1.00 0.22 N ATOM 2217 NH2 ARG A 142 -6.935 13.073 -7.477 1.00 25.43 N ATOM 0 H ARG A 142 -3.568 7.477 -5.377 1.00 1.12 H new ATOM 0 HA ARG A 142 -4.735 7.180 -7.888 1.00 0.12 H new ATOM 0 HB2 ARG A 142 -4.525 9.316 -6.686 1.00 71.30 H new ATOM 0 HB3 ARG A 142 -2.780 9.259 -6.829 1.00 71.30 H new ATOM 0 HG2 ARG A 142 -2.906 9.505 -9.251 1.00 54.43 H new ATOM 0 HG3 ARG A 142 -4.652 9.357 -9.222 1.00 54.43 H new ATOM 0 HD2 ARG A 142 -3.120 11.581 -7.820 1.00 52.50 H new ATOM 0 HD3 ARG A 142 -3.787 11.725 -9.434 1.00 52.50 H new ATOM 0 HE ARG A 142 -5.735 10.899 -7.386 1.00 14.11 H new ATOM 0 HH11 ARG A 142 -4.202 13.573 -9.110 1.00 0.22 H new ATOM 0 HH12 ARG A 142 -5.521 14.698 -8.774 1.00 0.22 H new ATOM 0 HH21 ARG A 142 -7.432 12.340 -6.972 1.00 25.43 H new ATOM 0 HH22 ARG A 142 -7.348 14.001 -7.565 1.00 25.43 H new ATOM 2231 N GLU A 143 -1.469 6.800 -7.925 1.00 1.02 N ATOM 2232 CA GLU A 143 -0.385 6.313 -8.761 1.00 44.25 C ATOM 2233 C GLU A 143 -0.469 4.796 -8.928 1.00 20.11 C ATOM 2234 O GLU A 143 -0.195 4.269 -10.008 1.00 51.31 O ATOM 2235 CB GLU A 143 0.983 6.725 -8.196 1.00 4.01 C ATOM 2236 CG GLU A 143 1.272 6.246 -6.785 1.00 74.13 C ATOM 2237 CD GLU A 143 2.692 6.564 -6.365 1.00 21.25 C ATOM 2238 OE1 GLU A 143 2.953 7.712 -5.940 1.00 22.45 O ATOM 2239 OE2 GLU A 143 3.564 5.678 -6.483 1.00 44.13 O ATOM 0 H GLU A 143 -1.210 6.996 -6.958 1.00 1.02 H new ATOM 0 HA GLU A 143 -0.490 6.772 -9.744 1.00 44.25 H new ATOM 0 HB2 GLU A 143 1.761 6.344 -8.858 1.00 4.01 H new ATOM 0 HB3 GLU A 143 1.053 7.813 -8.214 1.00 4.01 H new ATOM 0 HG2 GLU A 143 0.574 6.715 -6.091 1.00 74.13 H new ATOM 0 HG3 GLU A 143 1.107 5.170 -6.725 1.00 74.13 H new ATOM 2246 N GLN A 144 -0.889 4.111 -7.870 1.00 52.31 N ATOM 2247 CA GLN A 144 -0.950 2.654 -7.859 1.00 33.02 C ATOM 2248 C GLN A 144 -1.944 2.129 -8.895 1.00 30.33 C ATOM 2249 O GLN A 144 -1.657 1.168 -9.613 1.00 74.31 O ATOM 2250 CB GLN A 144 -1.331 2.158 -6.462 1.00 10.34 C ATOM 2251 CG GLN A 144 -1.216 0.656 -6.284 1.00 3.40 C ATOM 2252 CD GLN A 144 -1.525 0.218 -4.866 1.00 41.24 C ATOM 2253 OE1 GLN A 144 -2.322 0.841 -4.169 1.00 50.24 O ATOM 2254 NE2 GLN A 144 -0.893 -0.859 -4.429 1.00 32.33 N ATOM 0 H GLN A 144 -1.195 4.547 -7.000 1.00 52.31 H new ATOM 0 HA GLN A 144 0.037 2.272 -8.121 1.00 33.02 H new ATOM 0 HB2 GLN A 144 -0.693 2.650 -5.727 1.00 10.34 H new ATOM 0 HB3 GLN A 144 -2.356 2.461 -6.248 1.00 10.34 H new ATOM 0 HG2 GLN A 144 -1.899 0.158 -6.972 1.00 3.40 H new ATOM 0 HG3 GLN A 144 -0.208 0.337 -6.548 1.00 3.40 H new ATOM 0 HE21 GLN A 144 -0.238 -1.349 -5.039 1.00 32.33 H new ATOM 0 HE22 GLN A 144 -1.060 -1.200 -3.482 1.00 32.33 H new ATOM 2263 N GLU A 145 -3.112 2.759 -8.979 1.00 2.23 N ATOM 2264 CA GLU A 145 -4.132 2.319 -9.923 1.00 42.24 C ATOM 2265 C GLU A 145 -3.799 2.769 -11.333 1.00 40.51 C ATOM 2266 O GLU A 145 -4.236 2.150 -12.306 1.00 3.51 O ATOM 2267 CB GLU A 145 -5.524 2.812 -9.518 1.00 73.03 C ATOM 2268 CG GLU A 145 -5.653 4.319 -9.418 1.00 55.13 C ATOM 2269 CD GLU A 145 -7.042 4.733 -8.992 1.00 74.22 C ATOM 2270 OE1 GLU A 145 -7.457 4.362 -7.879 1.00 11.22 O ATOM 2271 OE2 GLU A 145 -7.732 5.424 -9.771 1.00 63.13 O ATOM 0 H GLU A 145 -3.373 3.566 -8.412 1.00 2.23 H new ATOM 0 HA GLU A 145 -4.144 1.229 -9.902 1.00 42.24 H new ATOM 0 HB2 GLU A 145 -6.251 2.445 -10.243 1.00 73.03 H new ATOM 0 HB3 GLU A 145 -5.785 2.373 -8.555 1.00 73.03 H new ATOM 0 HG2 GLU A 145 -4.924 4.700 -8.703 1.00 55.13 H new ATOM 0 HG3 GLU A 145 -5.419 4.769 -10.383 1.00 55.13 H new ATOM 2278 N LEU A 146 -3.012 3.827 -11.440 1.00 14.04 N ATOM 2279 CA LEU A 146 -2.585 4.324 -12.734 1.00 73.22 C ATOM 2280 C LEU A 146 -1.677 3.307 -13.411 1.00 70.43 C ATOM 2281 O LEU A 146 -2.013 2.769 -14.468 1.00 21.11 O ATOM 2282 CB LEU A 146 -1.862 5.665 -12.576 1.00 14.30 C ATOM 2283 CG LEU A 146 -1.347 6.285 -13.876 1.00 72.31 C ATOM 2284 CD1 LEU A 146 -2.496 6.561 -14.829 1.00 13.22 C ATOM 2285 CD2 LEU A 146 -0.572 7.564 -13.588 1.00 42.21 C ATOM 0 H LEU A 146 -2.657 4.357 -10.645 1.00 14.04 H new ATOM 0 HA LEU A 146 -3.464 4.478 -13.359 1.00 73.22 H new ATOM 0 HB2 LEU A 146 -2.541 6.372 -12.099 1.00 14.30 H new ATOM 0 HB3 LEU A 146 -1.019 5.527 -11.899 1.00 14.30 H new ATOM 0 HG LEU A 146 -0.672 5.573 -14.351 1.00 72.31 H new ATOM 0 HD11 LEU A 146 -2.109 7.002 -15.748 1.00 13.22 H new ATOM 0 HD12 LEU A 146 -3.008 5.627 -15.062 1.00 13.22 H new ATOM 0 HD13 LEU A 146 -3.198 7.252 -14.362 1.00 13.22 H new ATOM 0 HD21 LEU A 146 -0.213 7.991 -14.525 1.00 42.21 H new ATOM 0 HD22 LEU A 146 -1.225 8.280 -13.089 1.00 42.21 H new ATOM 0 HD23 LEU A 146 0.278 7.337 -12.944 1.00 42.21 H new ATOM 2297 N GLY A 147 -0.549 3.017 -12.773 1.00 52.31 N ATOM 2298 CA GLY A 147 0.416 2.101 -13.349 1.00 71.22 C ATOM 2299 C GLY A 147 0.947 2.610 -14.675 1.00 33.44 C ATOM 2300 O GLY A 147 1.140 1.830 -15.610 1.00 11.53 O ATOM 0 H GLY A 147 -0.286 3.401 -11.865 1.00 52.31 H new ATOM 0 HA2 GLY A 147 1.244 1.960 -12.655 1.00 71.22 H new ATOM 0 HA3 GLY A 147 -0.048 1.125 -13.493 1.00 71.22 H new