USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 482 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 80 CYS SG : rot 180:sc= 0.0799 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0.0802 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.331 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.0433 K(o=-0.043,f=-1.4) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc=-0.00426 X(o=-0.0043,f=-0.095) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= -0.874 (180deg=-0.874) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= -0.0435 USER MOD Single : A 100 GLN : amide:sc=-0.00441 K(o=-0.0044,f=-0.76) USER MOD Single : A 106 GLN : amide:sc= -0.3 K(o=-0.3,f=-1.9!) USER MOD Single : A 107 ASN : amide:sc=-0.00177 X(o=-0.0018,f=0) USER MOD Single : A 108 SER OG : rot -84:sc= 0.61 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0296 USER MOD Single : A 115 SER OG : rot -130:sc= -1.13 USER MOD Single : A 117 MET CE :methyl -152:sc= -8.66! (180deg=-10.8!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 9 -12.004 -12.614 6.314 1.00 0.00 N ATOM 70 CA PRO A 9 -10.816 -11.859 5.953 1.00 0.00 C ATOM 71 C PRO A 9 -9.700 -12.070 6.979 1.00 0.00 C ATOM 72 O PRO A 9 -9.766 -12.992 7.792 1.00 0.00 O ATOM 73 CB PRO A 9 -11.279 -10.414 5.870 1.00 0.00 C ATOM 74 CG PRO A 9 -12.591 -10.350 6.635 1.00 0.00 C ATOM 75 CD PRO A 9 -13.070 -11.775 6.857 1.00 0.00 C ATOM 0 HA PRO A 9 -10.385 -12.181 5.005 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.540 -9.742 6.306 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.417 -10.107 4.833 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.452 -9.841 7.589 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.333 -9.781 6.074 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.233 -11.978 7.916 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.016 -11.958 6.348 1.00 0.00 H new ATOM 80 N LYS A 10 -8.702 -11.202 6.908 1.00 0.00 N ATOM 81 CA LYS A 10 -7.574 -11.282 7.820 1.00 0.00 C ATOM 82 C LYS A 10 -7.289 -9.895 8.394 1.00 0.00 C ATOM 83 O LYS A 10 -7.404 -8.891 7.692 1.00 0.00 O ATOM 84 CB LYS A 10 -6.370 -11.921 7.126 1.00 0.00 C ATOM 85 CG LYS A 10 -5.111 -11.798 7.989 1.00 0.00 C ATOM 86 CD LYS A 10 -4.889 -13.064 8.819 1.00 0.00 C ATOM 87 CE LYS A 10 -3.396 -13.372 8.961 1.00 0.00 C ATOM 88 NZ LYS A 10 -3.190 -14.543 9.840 1.00 0.00 N ATOM 0 H LYS A 10 -8.651 -10.439 6.233 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.809 -11.933 8.662 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.577 -12.972 6.926 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.203 -11.440 6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.245 -11.620 7.352 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.202 -10.937 8.651 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.334 -12.939 9.806 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.394 -13.906 8.347 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.964 -13.566 7.979 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.877 -12.506 9.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.172 -14.738 9.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.585 -14.344 10.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.668 -15.372 9.432 1.00 0.00 H new ATOM 98 N THR A 11 -6.921 -9.879 9.667 1.00 0.00 N ATOM 99 CA THR A 11 -6.618 -8.629 10.344 1.00 0.00 C ATOM 100 C THR A 11 -5.248 -8.708 11.023 1.00 0.00 C ATOM 101 O THR A 11 -4.897 -9.735 11.601 1.00 0.00 O ATOM 102 CB THR A 11 -7.761 -8.329 11.317 1.00 0.00 C ATOM 103 OG1 THR A 11 -8.912 -8.234 10.480 1.00 0.00 O ATOM 104 CG2 THR A 11 -7.644 -6.940 11.948 1.00 0.00 C ATOM 0 H THR A 11 -6.826 -10.712 10.248 1.00 0.00 H new ATOM 0 HA THR A 11 -6.548 -7.803 9.636 1.00 0.00 H new ATOM 0 HB THR A 11 -7.777 -9.084 12.103 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.701 -8.043 11.029 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.479 -6.778 12.629 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.707 -6.869 12.500 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.663 -6.182 11.165 1.00 0.00 H new ATOM 112 N VAL A 12 -4.514 -7.610 10.930 1.00 0.00 N ATOM 113 CA VAL A 12 -3.191 -7.543 11.527 1.00 0.00 C ATOM 114 C VAL A 12 -2.957 -6.136 12.081 1.00 0.00 C ATOM 115 O VAL A 12 -3.045 -5.153 11.346 1.00 0.00 O ATOM 116 CB VAL A 12 -2.134 -7.965 10.506 1.00 0.00 C ATOM 117 CG1 VAL A 12 -1.815 -9.457 10.631 1.00 0.00 C ATOM 118 CG2 VAL A 12 -2.574 -7.618 9.082 1.00 0.00 C ATOM 0 H VAL A 12 -4.810 -6.760 10.451 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.114 -8.239 12.362 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.223 -7.407 10.720 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.061 -9.731 9.893 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.437 -9.666 11.632 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.720 -10.038 10.457 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.803 -7.929 8.377 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.506 -8.135 8.853 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.727 -6.542 9.000 1.00 0.00 H new ATOM 128 N THR A 13 -2.665 -6.084 13.373 1.00 0.00 N ATOM 129 CA THR A 13 -2.418 -4.814 14.034 1.00 0.00 C ATOM 130 C THR A 13 -0.917 -4.540 14.119 1.00 0.00 C ATOM 131 O THR A 13 -0.108 -5.464 14.048 1.00 0.00 O ATOM 132 CB THR A 13 -3.108 -4.849 15.399 1.00 0.00 C ATOM 133 OG1 THR A 13 -4.455 -5.205 15.098 1.00 0.00 O ATOM 134 CG2 THR A 13 -3.223 -3.463 16.034 1.00 0.00 C ATOM 0 H THR A 13 -2.594 -6.901 13.979 1.00 0.00 H new ATOM 0 HA THR A 13 -2.836 -3.984 13.464 1.00 0.00 H new ATOM 0 HB THR A 13 -2.555 -5.509 16.067 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.974 -5.252 15.928 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.720 -3.546 17.001 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.227 -3.043 16.173 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.804 -2.811 15.382 1.00 0.00 H new ATOM 142 N LEU A 14 -0.587 -3.265 14.271 1.00 0.00 N ATOM 143 CA LEU A 14 0.805 -2.859 14.367 1.00 0.00 C ATOM 144 C LEU A 14 0.922 -1.689 15.347 1.00 0.00 C ATOM 145 O LEU A 14 -0.075 -1.054 15.685 1.00 0.00 O ATOM 146 CB LEU A 14 1.372 -2.556 12.979 1.00 0.00 C ATOM 147 CG LEU A 14 1.202 -3.658 11.932 1.00 0.00 C ATOM 148 CD1 LEU A 14 -0.140 -3.527 11.209 1.00 0.00 C ATOM 149 CD2 LEU A 14 2.380 -3.672 10.955 1.00 0.00 C ATOM 0 H LEU A 14 -1.260 -2.500 14.330 1.00 0.00 H new ATOM 0 HA LEU A 14 1.413 -3.672 14.764 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.897 -1.649 12.604 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.435 -2.340 13.082 1.00 0.00 H new ATOM 0 HG LEU A 14 1.198 -4.619 12.446 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.235 -4.323 10.470 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.952 -3.605 11.932 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.191 -2.560 10.709 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.235 -4.465 10.221 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.441 -2.711 10.444 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.305 -3.850 11.503 1.00 0.00 H new ATOM 160 N LYS A 15 2.151 -1.440 15.777 1.00 0.00 N ATOM 161 CA LYS A 15 2.412 -0.359 16.712 1.00 0.00 C ATOM 162 C LYS A 15 3.455 0.587 16.112 1.00 0.00 C ATOM 163 O LYS A 15 4.508 0.144 15.655 1.00 0.00 O ATOM 164 CB LYS A 15 2.803 -0.917 18.082 1.00 0.00 C ATOM 165 CG LYS A 15 1.716 -1.847 18.624 1.00 0.00 C ATOM 166 CD LYS A 15 1.343 -1.473 20.062 1.00 0.00 C ATOM 167 CE LYS A 15 0.979 -2.719 20.874 1.00 0.00 C ATOM 168 NZ LYS A 15 0.704 -2.355 22.283 1.00 0.00 N ATOM 0 H LYS A 15 2.977 -1.969 15.495 1.00 0.00 H new ATOM 0 HA LYS A 15 1.508 0.227 16.879 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.745 -1.460 18.003 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.966 -0.096 18.780 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.832 -1.789 17.988 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.065 -2.879 18.591 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.178 -0.956 20.536 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.502 -0.780 20.055 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.104 -3.201 20.439 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.795 -3.440 20.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.459 -3.211 22.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.549 -1.915 22.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.089 -1.684 22.320 1.00 0.00 H new ATOM 178 N ARG A 16 3.127 1.869 16.134 1.00 0.00 N ATOM 179 CA ARG A 16 4.021 2.880 15.598 1.00 0.00 C ATOM 180 C ARG A 16 5.454 2.624 16.071 1.00 0.00 C ATOM 181 O ARG A 16 5.755 2.759 17.256 1.00 0.00 O ATOM 182 CB ARG A 16 3.592 4.284 16.033 1.00 0.00 C ATOM 183 CG ARG A 16 4.550 5.344 15.487 1.00 0.00 C ATOM 184 CD ARG A 16 3.779 6.501 14.847 1.00 0.00 C ATOM 185 NE ARG A 16 4.715 7.577 14.456 1.00 0.00 N ATOM 186 CZ ARG A 16 4.334 8.757 13.948 1.00 0.00 C ATOM 187 NH1 ARG A 16 3.032 9.019 13.767 1.00 0.00 N ATOM 188 NH2 ARG A 16 5.254 9.676 13.621 1.00 0.00 N ATOM 0 H ARG A 16 2.253 2.232 16.515 1.00 0.00 H new ATOM 0 HA ARG A 16 3.975 2.820 14.511 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.581 4.485 15.679 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.565 4.339 17.121 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.178 5.722 16.294 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.215 4.894 14.750 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.234 6.146 13.972 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.039 6.888 15.548 1.00 0.00 H new ATOM 0 HE ARG A 16 5.714 7.410 14.581 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.332 8.320 14.016 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.741 9.917 13.380 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.245 9.477 13.759 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.963 10.574 13.234 1.00 0.00 H new ATOM 264 N GLY A 22 7.572 -2.779 10.458 1.00 0.00 N ATOM 265 CA GLY A 22 7.988 -4.165 10.342 1.00 0.00 C ATOM 266 C GLY A 22 7.714 -4.705 8.936 1.00 0.00 C ATOM 267 O GLY A 22 7.796 -5.909 8.702 1.00 0.00 O ATOM 0 HA2 GLY A 22 9.051 -4.249 10.567 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.458 -4.770 11.077 1.00 0.00 H new ATOM 271 N PHE A 23 7.393 -3.786 8.037 1.00 0.00 N ATOM 272 CA PHE A 23 7.107 -4.155 6.661 1.00 0.00 C ATOM 273 C PHE A 23 7.051 -2.917 5.762 1.00 0.00 C ATOM 274 O PHE A 23 7.059 -1.789 6.253 1.00 0.00 O ATOM 275 CB PHE A 23 5.737 -4.836 6.656 1.00 0.00 C ATOM 276 CG PHE A 23 4.562 -3.870 6.498 1.00 0.00 C ATOM 277 CD1 PHE A 23 4.341 -2.909 7.434 1.00 0.00 C ATOM 278 CD2 PHE A 23 3.738 -3.971 5.420 1.00 0.00 C ATOM 279 CE1 PHE A 23 3.249 -2.013 7.288 1.00 0.00 C ATOM 280 CE2 PHE A 23 2.647 -3.074 5.274 1.00 0.00 C ATOM 281 CZ PHE A 23 2.425 -2.113 6.210 1.00 0.00 C ATOM 0 H PHE A 23 7.325 -2.788 8.234 1.00 0.00 H new ATOM 0 HA PHE A 23 7.889 -4.812 6.282 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.707 -5.563 5.845 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.615 -5.391 7.586 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.996 -2.827 8.289 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.914 -4.733 4.675 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.072 -1.252 8.033 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.993 -3.155 4.419 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.596 -1.430 6.098 1.00 0.00 H new ATOM 290 N THR A 24 6.994 -3.171 4.463 1.00 0.00 N ATOM 291 CA THR A 24 6.938 -2.091 3.492 1.00 0.00 C ATOM 292 C THR A 24 6.061 -2.490 2.303 1.00 0.00 C ATOM 293 O THR A 24 5.790 -3.671 2.095 1.00 0.00 O ATOM 294 CB THR A 24 8.370 -1.733 3.097 1.00 0.00 C ATOM 295 OG1 THR A 24 8.216 -0.831 2.005 1.00 0.00 O ATOM 296 CG2 THR A 24 9.127 -2.920 2.496 1.00 0.00 C ATOM 0 H THR A 24 6.985 -4.108 4.060 1.00 0.00 H new ATOM 0 HA THR A 24 6.473 -1.202 3.917 1.00 0.00 H new ATOM 0 HB THR A 24 8.906 -1.367 3.973 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.099 -0.547 1.688 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.139 -2.611 2.233 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.173 -3.729 3.225 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.609 -3.266 1.602 1.00 0.00 H new ATOM 304 N LEU A 25 5.642 -1.481 1.553 1.00 0.00 N ATOM 305 CA LEU A 25 4.802 -1.712 0.390 1.00 0.00 C ATOM 306 C LEU A 25 5.607 -1.431 -0.880 1.00 0.00 C ATOM 307 O LEU A 25 6.777 -1.057 -0.807 1.00 0.00 O ATOM 308 CB LEU A 25 3.510 -0.898 0.492 1.00 0.00 C ATOM 309 CG LEU A 25 2.647 -1.162 1.727 1.00 0.00 C ATOM 310 CD1 LEU A 25 2.519 -2.663 1.996 1.00 0.00 C ATOM 311 CD2 LEU A 25 3.183 -0.405 2.944 1.00 0.00 C ATOM 0 H LEU A 25 5.869 -0.502 1.728 1.00 0.00 H new ATOM 0 HA LEU A 25 4.491 -2.756 0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.769 0.161 0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.909 -1.095 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 25 1.644 -0.784 1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.901 -2.823 2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.057 -3.149 1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.508 -3.088 2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.551 -0.611 3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.202 -0.730 3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.179 0.665 2.738 1.00 0.00 H new ATOM 322 N ARG A 26 4.950 -1.620 -2.014 1.00 0.00 N ATOM 323 CA ARG A 26 5.590 -1.391 -3.298 1.00 0.00 C ATOM 324 C ARG A 26 4.555 -0.959 -4.338 1.00 0.00 C ATOM 325 O ARG A 26 3.361 -0.909 -4.047 1.00 0.00 O ATOM 326 CB ARG A 26 6.303 -2.652 -3.791 1.00 0.00 C ATOM 327 CG ARG A 26 7.707 -2.324 -4.302 1.00 0.00 C ATOM 328 CD ARG A 26 8.658 -2.030 -3.142 1.00 0.00 C ATOM 329 NE ARG A 26 9.967 -1.576 -3.662 1.00 0.00 N ATOM 330 CZ ARG A 26 10.931 -1.034 -2.905 1.00 0.00 C ATOM 331 NH1 ARG A 26 10.738 -0.875 -1.588 1.00 0.00 N ATOM 332 NH2 ARG A 26 12.087 -0.652 -3.464 1.00 0.00 N ATOM 0 H ARG A 26 3.980 -1.930 -2.071 1.00 0.00 H new ATOM 0 HA ARG A 26 6.327 -0.599 -3.164 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.368 -3.378 -2.980 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.721 -3.115 -4.588 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.089 -3.160 -4.887 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.663 -1.462 -4.968 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.229 -1.265 -2.495 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.790 -2.925 -2.534 1.00 0.00 H new ATOM 0 HE ARG A 26 10.147 -1.682 -4.660 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.858 -1.166 -1.163 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.471 -0.463 -1.011 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.234 -0.774 -4.466 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.820 -0.240 -2.888 1.00 0.00 H new ATOM 862 N ILE A 63 -1.770 -3.228 -2.984 1.00 0.00 N ATOM 863 CA ILE A 63 -0.793 -2.962 -1.943 1.00 0.00 C ATOM 864 C ILE A 63 -0.152 -4.279 -1.500 1.00 0.00 C ATOM 865 O ILE A 63 -0.490 -4.815 -0.446 1.00 0.00 O ATOM 866 CB ILE A 63 -1.433 -2.174 -0.797 1.00 0.00 C ATOM 867 CG1 ILE A 63 -1.951 -0.820 -1.285 1.00 0.00 C ATOM 868 CG2 ILE A 63 -0.460 -2.026 0.375 1.00 0.00 C ATOM 869 CD1 ILE A 63 -3.479 -0.766 -1.228 1.00 0.00 C ATOM 0 HA ILE A 63 0.009 -2.331 -2.326 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.293 -2.736 -0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.532 -0.023 -0.671 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.615 -0.645 -2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.938 -1.463 1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.180 -3.013 0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.433 -1.497 0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.822 0.207 -1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.895 -1.549 -1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.810 -0.918 -0.201 1.00 0.00 H new ATOM 880 N PHE A 64 0.763 -4.763 -2.330 1.00 0.00 N ATOM 881 CA PHE A 64 1.454 -6.007 -2.038 1.00 0.00 C ATOM 882 C PHE A 64 2.652 -5.766 -1.116 1.00 0.00 C ATOM 883 O PHE A 64 3.522 -4.953 -1.425 1.00 0.00 O ATOM 884 CB PHE A 64 1.954 -6.564 -3.371 1.00 0.00 C ATOM 885 CG PHE A 64 0.840 -7.047 -4.302 1.00 0.00 C ATOM 886 CD1 PHE A 64 0.153 -8.184 -4.007 1.00 0.00 C ATOM 887 CD2 PHE A 64 0.538 -6.340 -5.423 1.00 0.00 C ATOM 888 CE1 PHE A 64 -0.881 -8.631 -4.871 1.00 0.00 C ATOM 889 CE2 PHE A 64 -0.498 -6.787 -6.287 1.00 0.00 C ATOM 890 CZ PHE A 64 -1.185 -7.923 -5.993 1.00 0.00 C ATOM 0 H PHE A 64 1.041 -4.316 -3.204 1.00 0.00 H new ATOM 0 HA PHE A 64 0.778 -6.699 -1.536 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.531 -5.793 -3.881 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.634 -7.393 -3.174 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.394 -8.746 -3.117 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.085 -5.439 -5.657 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.427 -9.533 -4.638 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.740 -6.225 -7.177 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.972 -8.263 -6.650 1.00 0.00 H new ATOM 899 N VAL A 65 2.657 -6.487 -0.004 1.00 0.00 N ATOM 900 CA VAL A 65 3.734 -6.361 0.962 1.00 0.00 C ATOM 901 C VAL A 65 5.074 -6.588 0.261 1.00 0.00 C ATOM 902 O VAL A 65 5.283 -7.628 -0.362 1.00 0.00 O ATOM 903 CB VAL A 65 3.501 -7.320 2.131 1.00 0.00 C ATOM 904 CG1 VAL A 65 4.759 -7.449 2.993 1.00 0.00 C ATOM 905 CG2 VAL A 65 2.302 -6.878 2.973 1.00 0.00 C ATOM 0 H VAL A 65 1.933 -7.160 0.249 1.00 0.00 H new ATOM 0 HA VAL A 65 3.755 -5.355 1.381 1.00 0.00 H new ATOM 0 HB VAL A 65 3.275 -8.303 1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.567 -8.136 3.817 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.579 -7.832 2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.029 -6.471 3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.159 -7.577 3.797 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.485 -5.880 3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.407 -6.862 2.351 1.00 0.00 H new ATOM 915 N LYS A 66 5.946 -5.598 0.384 1.00 0.00 N ATOM 916 CA LYS A 66 7.261 -5.677 -0.231 1.00 0.00 C ATOM 917 C LYS A 66 8.158 -6.587 0.609 1.00 0.00 C ATOM 918 O LYS A 66 8.721 -7.553 0.098 1.00 0.00 O ATOM 919 CB LYS A 66 7.835 -4.276 -0.448 1.00 0.00 C ATOM 920 CG LYS A 66 9.365 -4.310 -0.478 1.00 0.00 C ATOM 921 CD LYS A 66 9.872 -5.108 -1.681 1.00 0.00 C ATOM 922 CE LYS A 66 11.226 -4.580 -2.157 1.00 0.00 C ATOM 923 NZ LYS A 66 11.380 -4.790 -3.614 1.00 0.00 N ATOM 0 H LYS A 66 5.768 -4.737 0.900 1.00 0.00 H new ATOM 0 HA LYS A 66 7.192 -6.125 -1.222 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.458 -3.866 -1.385 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.498 -3.613 0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.754 -3.293 -0.522 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.741 -4.756 0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.962 -6.160 -1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.148 -5.047 -2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.311 -3.518 -1.925 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.029 -5.088 -1.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.304 -4.426 -3.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.320 -5.806 -3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.624 -4.285 -4.119 1.00 0.00 H new ATOM 933 N GLN A 67 8.264 -6.246 1.885 1.00 0.00 N ATOM 934 CA GLN A 67 9.084 -7.021 2.802 1.00 0.00 C ATOM 935 C GLN A 67 8.506 -6.955 4.215 1.00 0.00 C ATOM 936 O GLN A 67 7.480 -6.316 4.442 1.00 0.00 O ATOM 937 CB GLN A 67 10.535 -6.538 2.780 1.00 0.00 C ATOM 938 CG GLN A 67 10.807 -5.565 3.929 1.00 0.00 C ATOM 939 CD GLN A 67 12.086 -4.764 3.679 1.00 0.00 C ATOM 940 OE1 GLN A 67 12.757 -4.915 2.671 1.00 0.00 O ATOM 941 NE2 GLN A 67 12.385 -3.906 4.649 1.00 0.00 N ATOM 0 H GLN A 67 7.796 -5.443 2.306 1.00 0.00 H new ATOM 0 HA GLN A 67 9.076 -8.061 2.476 1.00 0.00 H new ATOM 0 HB2 GLN A 67 11.208 -7.392 2.856 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.745 -6.050 1.828 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.963 -4.884 4.041 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.897 -6.117 4.864 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.780 -3.829 5.467 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.220 -3.324 4.576 1.00 0.00 H new ATOM 948 N VAL A 68 9.188 -7.626 5.131 1.00 0.00 N ATOM 949 CA VAL A 68 8.754 -7.654 6.518 1.00 0.00 C ATOM 950 C VAL A 68 9.982 -7.695 7.431 1.00 0.00 C ATOM 951 O VAL A 68 10.690 -8.699 7.481 1.00 0.00 O ATOM 952 CB VAL A 68 7.801 -8.828 6.746 1.00 0.00 C ATOM 953 CG1 VAL A 68 7.670 -9.147 8.236 1.00 0.00 C ATOM 954 CG2 VAL A 68 6.431 -8.551 6.123 1.00 0.00 C ATOM 0 H VAL A 68 10.039 -8.155 4.940 1.00 0.00 H new ATOM 0 HA VAL A 68 8.197 -6.749 6.761 1.00 0.00 H new ATOM 0 HB VAL A 68 8.224 -9.703 6.252 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.987 -9.986 8.370 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.648 -9.408 8.640 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.282 -8.275 8.762 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.772 -9.401 6.299 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.000 -7.658 6.575 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.544 -8.396 5.050 1.00 0.00 H new ATOM 964 N LYS A 69 10.196 -6.591 8.131 1.00 0.00 N ATOM 965 CA LYS A 69 11.325 -6.487 9.039 1.00 0.00 C ATOM 966 C LYS A 69 11.409 -7.757 9.889 1.00 0.00 C ATOM 967 O LYS A 69 10.499 -8.585 9.864 1.00 0.00 O ATOM 968 CB LYS A 69 11.235 -5.201 9.863 1.00 0.00 C ATOM 969 CG LYS A 69 12.629 -4.649 10.171 1.00 0.00 C ATOM 970 CD LYS A 69 12.561 -3.164 10.536 1.00 0.00 C ATOM 971 CE LYS A 69 13.847 -2.711 11.231 1.00 0.00 C ATOM 972 NZ LYS A 69 13.588 -2.404 12.654 1.00 0.00 N ATOM 0 H LYS A 69 9.606 -5.760 8.088 1.00 0.00 H new ATOM 0 HA LYS A 69 12.258 -6.414 8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.657 -4.455 9.318 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.704 -5.398 10.794 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.073 -5.210 10.994 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.278 -4.785 9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.402 -2.571 9.635 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.708 -2.985 11.190 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.603 -3.492 11.154 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.247 -1.829 10.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.472 -2.098 13.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.882 -1.643 12.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.228 -3.254 13.133 1.00 0.00 H new ATOM 982 N GLU A 70 12.507 -7.869 10.621 1.00 0.00 N ATOM 983 CA GLU A 70 12.721 -9.024 11.476 1.00 0.00 C ATOM 984 C GLU A 70 12.739 -8.600 12.946 1.00 0.00 C ATOM 985 O GLU A 70 13.798 -8.306 13.497 1.00 0.00 O ATOM 986 CB GLU A 70 14.013 -9.755 11.100 1.00 0.00 C ATOM 987 CG GLU A 70 13.945 -11.231 11.498 1.00 0.00 C ATOM 988 CD GLU A 70 14.787 -11.501 12.746 1.00 0.00 C ATOM 989 OE1 GLU A 70 16.019 -11.313 12.649 1.00 0.00 O ATOM 990 OE2 GLU A 70 14.181 -11.891 13.767 1.00 0.00 O ATOM 0 H GLU A 70 13.258 -7.179 10.640 1.00 0.00 H new ATOM 0 HA GLU A 70 11.894 -9.718 11.328 1.00 0.00 H new ATOM 0 HB2 GLU A 70 14.183 -9.672 10.027 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.861 -9.280 11.594 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.909 -11.513 11.686 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.300 -11.850 10.674 1.00 0.00 H new ATOM 995 N GLY A 71 11.555 -8.583 13.538 1.00 0.00 N ATOM 996 CA GLY A 71 11.421 -8.201 14.933 1.00 0.00 C ATOM 997 C GLY A 71 10.614 -6.907 15.072 1.00 0.00 C ATOM 998 O GLY A 71 10.822 -6.138 16.009 1.00 0.00 O ATOM 0 H GLY A 71 10.679 -8.828 13.077 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.931 -9.001 15.487 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.409 -8.067 15.374 1.00 0.00 H new ATOM 1002 N GLY A 72 9.707 -6.710 14.125 1.00 0.00 N ATOM 1003 CA GLY A 72 8.868 -5.523 14.130 1.00 0.00 C ATOM 1004 C GLY A 72 7.420 -5.878 14.477 1.00 0.00 C ATOM 1005 O GLY A 72 7.140 -6.987 14.931 1.00 0.00 O ATOM 0 H GLY A 72 9.535 -7.351 13.351 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.253 -4.804 14.853 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.904 -5.043 13.152 1.00 0.00 H new ATOM 1009 N PRO A 73 6.515 -4.890 14.245 1.00 0.00 N ATOM 1010 CA PRO A 73 5.104 -5.088 14.528 1.00 0.00 C ATOM 1011 C PRO A 73 4.451 -5.981 13.471 1.00 0.00 C ATOM 1012 O PRO A 73 3.738 -6.924 13.806 1.00 0.00 O ATOM 1013 CB PRO A 73 4.512 -3.687 14.569 1.00 0.00 C ATOM 1014 CG PRO A 73 5.510 -2.792 13.852 1.00 0.00 C ATOM 1015 CD PRO A 73 6.810 -3.565 13.707 1.00 0.00 C ATOM 0 HA PRO A 73 4.933 -5.608 15.471 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.539 -3.659 14.078 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.360 -3.357 15.597 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.128 -2.501 12.873 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.673 -1.874 14.416 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.123 -3.622 12.664 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.619 -3.085 14.257 1.00 0.00 H new ATOM 1020 N ALA A 74 4.721 -5.651 12.216 1.00 0.00 N ATOM 1021 CA ALA A 74 4.169 -6.413 11.108 1.00 0.00 C ATOM 1022 C ALA A 74 4.595 -7.876 11.239 1.00 0.00 C ATOM 1023 O ALA A 74 3.780 -8.782 11.067 1.00 0.00 O ATOM 1024 CB ALA A 74 4.620 -5.790 9.786 1.00 0.00 C ATOM 0 H ALA A 74 5.314 -4.867 11.942 1.00 0.00 H new ATOM 0 HA ALA A 74 3.080 -6.384 11.127 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.206 -6.361 8.955 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.267 -4.760 9.730 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.708 -5.804 9.730 1.00 0.00 H new ATOM 1030 N PHE A 75 5.872 -8.064 11.541 1.00 0.00 N ATOM 1031 CA PHE A 75 6.416 -9.402 11.697 1.00 0.00 C ATOM 1032 C PHE A 75 5.654 -10.183 12.769 1.00 0.00 C ATOM 1033 O PHE A 75 5.320 -11.350 12.573 1.00 0.00 O ATOM 1034 CB PHE A 75 7.873 -9.243 12.136 1.00 0.00 C ATOM 1035 CG PHE A 75 8.466 -10.495 12.787 1.00 0.00 C ATOM 1036 CD1 PHE A 75 8.598 -11.639 12.063 1.00 0.00 C ATOM 1037 CD2 PHE A 75 8.861 -10.464 14.087 1.00 0.00 C ATOM 1038 CE1 PHE A 75 9.149 -12.800 12.667 1.00 0.00 C ATOM 1039 CE2 PHE A 75 9.410 -11.626 14.691 1.00 0.00 C ATOM 1040 CZ PHE A 75 9.544 -12.769 13.967 1.00 0.00 C ATOM 0 H PHE A 75 6.546 -7.311 11.682 1.00 0.00 H new ATOM 0 HA PHE A 75 6.331 -9.950 10.759 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.476 -8.976 11.268 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.942 -8.413 12.839 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.284 -11.664 11.030 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.757 -9.555 14.661 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.254 -13.709 12.093 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.721 -11.602 15.725 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.964 -13.652 14.425 1.00 0.00 H new ATOM 1049 N GLU A 76 5.401 -9.507 13.880 1.00 0.00 N ATOM 1050 CA GLU A 76 4.685 -10.122 14.984 1.00 0.00 C ATOM 1051 C GLU A 76 3.208 -10.304 14.623 1.00 0.00 C ATOM 1052 O GLU A 76 2.653 -11.388 14.795 1.00 0.00 O ATOM 1053 CB GLU A 76 4.838 -9.301 16.264 1.00 0.00 C ATOM 1054 CG GLU A 76 6.314 -9.058 16.588 1.00 0.00 C ATOM 1055 CD GLU A 76 6.742 -9.852 17.823 1.00 0.00 C ATOM 1056 OE1 GLU A 76 6.586 -11.092 17.784 1.00 0.00 O ATOM 1057 OE2 GLU A 76 7.216 -9.201 18.779 1.00 0.00 O ATOM 0 H GLU A 76 5.679 -8.539 14.039 1.00 0.00 H new ATOM 0 HA GLU A 76 5.119 -11.105 15.169 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.325 -8.346 16.151 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.361 -9.823 17.094 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.929 -9.345 15.735 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.482 -7.995 16.759 1.00 0.00 H new ATOM 1062 N ALA A 77 2.615 -9.228 14.130 1.00 0.00 N ATOM 1063 CA ALA A 77 1.216 -9.254 13.742 1.00 0.00 C ATOM 1064 C ALA A 77 0.926 -10.550 12.983 1.00 0.00 C ATOM 1065 O ALA A 77 -0.201 -11.043 12.996 1.00 0.00 O ATOM 1066 CB ALA A 77 0.890 -8.009 12.916 1.00 0.00 C ATOM 0 H ALA A 77 3.079 -8.331 13.990 1.00 0.00 H new ATOM 0 HA ALA A 77 0.574 -9.237 14.623 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.160 -8.030 12.625 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.084 -7.117 13.511 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.513 -7.992 12.022 1.00 0.00 H new ATOM 1072 N GLY A 78 1.963 -11.065 12.337 1.00 0.00 N ATOM 1073 CA GLY A 78 1.833 -12.293 11.573 1.00 0.00 C ATOM 1074 C GLY A 78 1.904 -12.015 10.070 1.00 0.00 C ATOM 1075 O GLY A 78 1.601 -12.887 9.257 1.00 0.00 O ATOM 0 H GLY A 78 2.896 -10.653 12.328 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.625 -12.987 11.856 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.886 -12.776 11.813 1.00 0.00 H new ATOM 1079 N LEU A 79 2.305 -10.794 9.745 1.00 0.00 N ATOM 1080 CA LEU A 79 2.419 -10.390 8.355 1.00 0.00 C ATOM 1081 C LEU A 79 3.506 -11.224 7.671 1.00 0.00 C ATOM 1082 O LEU A 79 4.075 -12.127 8.283 1.00 0.00 O ATOM 1083 CB LEU A 79 2.648 -8.880 8.253 1.00 0.00 C ATOM 1084 CG LEU A 79 1.820 -8.146 7.196 1.00 0.00 C ATOM 1085 CD1 LEU A 79 0.359 -8.026 7.630 1.00 0.00 C ATOM 1086 CD2 LEU A 79 2.434 -6.784 6.867 1.00 0.00 C ATOM 0 H LEU A 79 2.555 -10.072 10.421 1.00 0.00 H new ATOM 0 HA LEU A 79 1.487 -10.585 7.825 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.437 -8.434 9.225 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.704 -8.706 8.044 1.00 0.00 H new ATOM 0 HG LEU A 79 1.836 -8.736 6.280 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.207 -7.500 6.861 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.061 -9.022 7.773 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.302 -7.470 8.566 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.826 -6.283 6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.469 -6.173 7.769 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.445 -6.924 6.484 1.00 0.00 H new ATOM 1097 N CYS A 80 3.760 -10.892 6.415 1.00 0.00 N ATOM 1098 CA CYS A 80 4.768 -11.599 5.644 1.00 0.00 C ATOM 1099 C CYS A 80 4.851 -10.955 4.258 1.00 0.00 C ATOM 1100 O CYS A 80 4.402 -9.827 4.065 1.00 0.00 O ATOM 1101 CB CYS A 80 4.470 -13.097 5.561 1.00 0.00 C ATOM 1102 SG CYS A 80 6.022 -14.054 5.713 1.00 0.00 S ATOM 0 H CYS A 80 3.285 -10.143 5.911 1.00 0.00 H new ATOM 0 HA CYS A 80 5.735 -11.516 6.141 1.00 0.00 H new ATOM 0 HB2 CYS A 80 3.778 -13.383 6.353 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.983 -13.327 4.614 1.00 0.00 H new ATOM 0 HG CYS A 80 5.757 -15.325 5.643 1.00 0.00 H new ATOM 1107 N THR A 81 5.426 -11.703 3.328 1.00 0.00 N ATOM 1108 CA THR A 81 5.573 -11.219 1.965 1.00 0.00 C ATOM 1109 C THR A 81 4.540 -11.879 1.050 1.00 0.00 C ATOM 1110 O THR A 81 4.355 -13.095 1.092 1.00 0.00 O ATOM 1111 CB THR A 81 7.018 -11.469 1.528 1.00 0.00 C ATOM 1112 OG1 THR A 81 7.349 -12.721 2.123 1.00 0.00 O ATOM 1113 CG2 THR A 81 8.002 -10.484 2.162 1.00 0.00 C ATOM 0 H THR A 81 5.795 -12.640 3.491 1.00 0.00 H new ATOM 0 HA THR A 81 5.379 -10.148 1.903 1.00 0.00 H new ATOM 0 HB THR A 81 7.085 -11.400 0.442 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.270 -12.961 1.889 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.012 -10.707 1.818 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.736 -9.467 1.873 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.960 -10.575 3.247 1.00 0.00 H new ATOM 1121 N GLY A 82 3.893 -11.049 0.246 1.00 0.00 N ATOM 1122 CA GLY A 82 2.882 -11.537 -0.677 1.00 0.00 C ATOM 1123 C GLY A 82 1.485 -11.083 -0.249 1.00 0.00 C ATOM 1124 O GLY A 82 0.592 -10.945 -1.084 1.00 0.00 O ATOM 0 H GLY A 82 4.049 -10.041 0.214 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.095 -11.172 -1.682 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.918 -12.626 -0.719 1.00 0.00 H new ATOM 1128 N ASP A 83 1.340 -10.866 1.049 1.00 0.00 N ATOM 1129 CA ASP A 83 0.066 -10.433 1.598 1.00 0.00 C ATOM 1130 C ASP A 83 -0.212 -8.996 1.153 1.00 0.00 C ATOM 1131 O ASP A 83 0.540 -8.081 1.486 1.00 0.00 O ATOM 1132 CB ASP A 83 0.088 -10.456 3.128 1.00 0.00 C ATOM 1133 CG ASP A 83 0.957 -11.555 3.745 1.00 0.00 C ATOM 1134 OD1 ASP A 83 2.197 -11.407 3.670 1.00 0.00 O ATOM 1135 OD2 ASP A 83 0.363 -12.518 4.275 1.00 0.00 O ATOM 0 H ASP A 83 2.084 -10.982 1.737 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.705 -11.114 1.238 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.442 -9.489 3.486 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.933 -10.575 3.490 1.00 0.00 H new ATOM 1139 N ARG A 84 -1.295 -8.841 0.406 1.00 0.00 N ATOM 1140 CA ARG A 84 -1.683 -7.531 -0.089 1.00 0.00 C ATOM 1141 C ARG A 84 -2.682 -6.876 0.868 1.00 0.00 C ATOM 1142 O ARG A 84 -3.460 -7.565 1.525 1.00 0.00 O ATOM 1143 CB ARG A 84 -2.311 -7.631 -1.480 1.00 0.00 C ATOM 1144 CG ARG A 84 -3.425 -8.681 -1.506 1.00 0.00 C ATOM 1145 CD ARG A 84 -4.367 -8.453 -2.689 1.00 0.00 C ATOM 1146 NE ARG A 84 -5.772 -8.462 -2.228 1.00 0.00 N ATOM 1147 CZ ARG A 84 -6.814 -8.097 -2.986 1.00 0.00 C ATOM 1148 NH1 ARG A 84 -6.615 -7.690 -4.248 1.00 0.00 N ATOM 1149 NH2 ARG A 84 -8.056 -8.138 -2.483 1.00 0.00 N ATOM 0 H ARG A 84 -1.917 -9.602 0.131 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.782 -6.921 -0.153 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.714 -6.661 -1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.545 -7.890 -2.211 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.988 -9.678 -1.571 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.989 -8.641 -0.574 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.139 -7.500 -3.167 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.217 -9.230 -3.439 1.00 0.00 H new ATOM 0 HE ARG A 84 -5.959 -8.765 -1.272 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.670 -7.658 -4.631 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.409 -7.412 -4.825 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.207 -8.447 -1.523 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.850 -7.860 -3.060 1.00 0.00 H new ATOM 1160 N ILE A 85 -2.628 -5.553 0.914 1.00 0.00 N ATOM 1161 CA ILE A 85 -3.517 -4.798 1.780 1.00 0.00 C ATOM 1162 C ILE A 85 -4.824 -4.510 1.034 1.00 0.00 C ATOM 1163 O ILE A 85 -4.815 -4.292 -0.176 1.00 0.00 O ATOM 1164 CB ILE A 85 -2.817 -3.541 2.303 1.00 0.00 C ATOM 1165 CG1 ILE A 85 -1.373 -3.845 2.703 1.00 0.00 C ATOM 1166 CG2 ILE A 85 -3.609 -2.911 3.450 1.00 0.00 C ATOM 1167 CD1 ILE A 85 -1.314 -4.994 3.713 1.00 0.00 C ATOM 0 H ILE A 85 -1.982 -4.985 0.366 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.775 -5.381 2.664 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.780 -2.809 1.496 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.793 -4.105 1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.916 -2.954 3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.091 -2.020 3.804 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.603 -2.637 3.098 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.698 -3.627 4.267 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.276 -5.190 3.981 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.874 -4.721 4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.750 -5.890 3.271 1.00 0.00 H new ATOM 1178 N ILE A 86 -5.912 -4.516 1.789 1.00 0.00 N ATOM 1179 CA ILE A 86 -7.221 -4.258 1.216 1.00 0.00 C ATOM 1180 C ILE A 86 -7.859 -3.064 1.929 1.00 0.00 C ATOM 1181 O ILE A 86 -8.456 -2.200 1.289 1.00 0.00 O ATOM 1182 CB ILE A 86 -8.079 -5.524 1.249 1.00 0.00 C ATOM 1183 CG1 ILE A 86 -8.108 -6.132 2.653 1.00 0.00 C ATOM 1184 CG2 ILE A 86 -7.611 -6.532 0.197 1.00 0.00 C ATOM 1185 CD1 ILE A 86 -8.831 -7.480 2.653 1.00 0.00 C ATOM 0 H ILE A 86 -5.914 -4.696 2.793 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.130 -3.990 0.163 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.103 -5.248 0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.089 -6.262 3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.607 -5.448 3.339 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.238 -7.423 0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.687 -6.085 -0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.575 -6.808 0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -8.837 -7.890 3.663 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -9.857 -7.343 2.311 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.315 -8.170 1.985 1.00 0.00 H new ATOM 1196 N LYS A 87 -7.711 -3.054 3.245 1.00 0.00 N ATOM 1197 CA LYS A 87 -8.266 -1.981 4.052 1.00 0.00 C ATOM 1198 C LYS A 87 -7.173 -1.415 4.962 1.00 0.00 C ATOM 1199 O LYS A 87 -6.139 -2.049 5.163 1.00 0.00 O ATOM 1200 CB LYS A 87 -9.505 -2.464 4.809 1.00 0.00 C ATOM 1201 CG LYS A 87 -10.573 -2.975 3.841 1.00 0.00 C ATOM 1202 CD LYS A 87 -10.975 -4.413 4.176 1.00 0.00 C ATOM 1203 CE LYS A 87 -11.355 -5.186 2.913 1.00 0.00 C ATOM 1204 NZ LYS A 87 -12.364 -6.223 3.222 1.00 0.00 N ATOM 0 H LYS A 87 -7.215 -3.772 3.773 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.608 -1.165 3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.226 -3.259 5.501 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.911 -1.648 5.407 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.449 -2.329 3.887 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.195 -2.928 2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.150 -4.917 4.680 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.816 -4.407 4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.749 -4.499 2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.468 -5.651 2.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.610 -6.738 2.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.975 -6.889 3.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.217 -5.773 3.611 1.00 0.00 H new ATOM 1214 N VAL A 88 -7.438 -0.227 5.485 1.00 0.00 N ATOM 1215 CA VAL A 88 -6.490 0.431 6.367 1.00 0.00 C ATOM 1216 C VAL A 88 -7.254 1.171 7.469 1.00 0.00 C ATOM 1217 O VAL A 88 -8.127 1.987 7.182 1.00 0.00 O ATOM 1218 CB VAL A 88 -5.571 1.348 5.558 1.00 0.00 C ATOM 1219 CG1 VAL A 88 -4.631 2.130 6.476 1.00 0.00 C ATOM 1220 CG2 VAL A 88 -4.785 0.554 4.514 1.00 0.00 C ATOM 0 H VAL A 88 -8.296 0.297 5.315 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.848 -0.303 6.853 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.196 2.067 5.029 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.989 2.774 5.876 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.218 2.741 7.162 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.016 1.433 7.045 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.140 1.230 3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.175 -0.199 5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.479 0.065 3.831 1.00 0.00 H new ATOM 1230 N ASN A 89 -6.895 0.857 8.705 1.00 0.00 N ATOM 1231 CA ASN A 89 -7.535 1.481 9.850 1.00 0.00 C ATOM 1232 C ASN A 89 -9.054 1.429 9.673 1.00 0.00 C ATOM 1233 O ASN A 89 -9.776 2.252 10.233 1.00 0.00 O ATOM 1234 CB ASN A 89 -7.124 2.949 9.980 1.00 0.00 C ATOM 1235 CG ASN A 89 -5.782 3.081 10.704 1.00 0.00 C ATOM 1236 OD1 ASN A 89 -5.594 2.600 11.809 1.00 0.00 O ATOM 1237 ND2 ASN A 89 -4.864 3.758 10.022 1.00 0.00 N ATOM 0 H ASN A 89 -6.170 0.179 8.938 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.226 0.940 10.744 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -7.053 3.399 8.990 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.891 3.498 10.526 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.936 3.901 10.420 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.088 4.134 9.101 1.00 0.00 H new ATOM 1243 N GLY A 90 -9.492 0.454 8.889 1.00 0.00 N ATOM 1244 CA GLY A 90 -10.912 0.284 8.629 1.00 0.00 C ATOM 1245 C GLY A 90 -11.472 1.472 7.844 1.00 0.00 C ATOM 1246 O GLY A 90 -12.632 1.844 8.016 1.00 0.00 O ATOM 0 H GLY A 90 -8.889 -0.226 8.426 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.075 -0.636 8.068 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.448 0.182 9.572 1.00 0.00 H new ATOM 1250 N GLU A 91 -10.621 2.035 6.999 1.00 0.00 N ATOM 1251 CA GLU A 91 -11.015 3.173 6.186 1.00 0.00 C ATOM 1252 C GLU A 91 -11.398 2.713 4.778 1.00 0.00 C ATOM 1253 O GLU A 91 -12.203 3.358 4.109 1.00 0.00 O ATOM 1254 CB GLU A 91 -9.903 4.224 6.137 1.00 0.00 C ATOM 1255 CG GLU A 91 -10.436 5.606 6.521 1.00 0.00 C ATOM 1256 CD GLU A 91 -11.606 6.010 5.620 1.00 0.00 C ATOM 1257 OE1 GLU A 91 -11.446 5.876 4.388 1.00 0.00 O ATOM 1258 OE2 GLU A 91 -12.632 6.446 6.186 1.00 0.00 O ATOM 0 H GLU A 91 -9.660 1.724 6.860 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.888 3.637 6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.099 3.939 6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.476 4.261 5.135 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.759 5.599 7.562 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.638 6.344 6.440 1.00 0.00 H new ATOM 1263 N SER A 92 -10.803 1.601 4.371 1.00 0.00 N ATOM 1264 CA SER A 92 -11.071 1.047 3.056 1.00 0.00 C ATOM 1265 C SER A 92 -10.392 1.900 1.980 1.00 0.00 C ATOM 1266 O SER A 92 -10.402 3.126 2.059 1.00 0.00 O ATOM 1267 CB SER A 92 -12.575 0.959 2.792 1.00 0.00 C ATOM 1268 OG SER A 92 -13.277 0.382 3.890 1.00 0.00 O ATOM 0 H SER A 92 -10.136 1.069 4.930 1.00 0.00 H new ATOM 0 HA SER A 92 -10.663 0.037 3.021 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.967 1.957 2.595 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.752 0.364 1.896 1.00 0.00 H new ATOM 0 HG SER A 92 -14.234 0.345 3.683 1.00 0.00 H new ATOM 1273 N VAL A 93 -9.819 1.214 1.003 1.00 0.00 N ATOM 1274 CA VAL A 93 -9.138 1.893 -0.087 1.00 0.00 C ATOM 1275 C VAL A 93 -10.131 2.150 -1.221 1.00 0.00 C ATOM 1276 O VAL A 93 -9.799 1.975 -2.393 1.00 0.00 O ATOM 1277 CB VAL A 93 -7.921 1.079 -0.530 1.00 0.00 C ATOM 1278 CG1 VAL A 93 -7.065 0.673 0.671 1.00 0.00 C ATOM 1279 CG2 VAL A 93 -8.346 -0.148 -1.339 1.00 0.00 C ATOM 0 H VAL A 93 -9.812 0.196 0.943 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.762 2.862 0.241 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.313 1.712 -1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.207 0.095 0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.717 1.567 1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.660 0.067 1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.462 -0.709 -1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.987 -0.783 -0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -8.893 0.172 -2.226 1.00 0.00 H new ATOM 1289 N ILE A 94 -11.328 2.563 -0.836 1.00 0.00 N ATOM 1290 CA ILE A 94 -12.373 2.845 -1.807 1.00 0.00 C ATOM 1291 C ILE A 94 -12.046 4.154 -2.532 1.00 0.00 C ATOM 1292 O ILE A 94 -12.270 5.237 -1.995 1.00 0.00 O ATOM 1293 CB ILE A 94 -13.746 2.842 -1.134 1.00 0.00 C ATOM 1294 CG1 ILE A 94 -14.126 1.434 -0.671 1.00 0.00 C ATOM 1295 CG2 ILE A 94 -14.809 3.449 -2.052 1.00 0.00 C ATOM 1296 CD1 ILE A 94 -14.617 0.583 -1.845 1.00 0.00 C ATOM 0 H ILE A 94 -11.599 2.710 0.136 1.00 0.00 H new ATOM 0 HA ILE A 94 -12.414 2.061 -2.563 1.00 0.00 H new ATOM 0 HB ILE A 94 -13.692 3.471 -0.245 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -13.264 0.955 -0.206 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -14.905 1.495 0.089 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -15.776 3.434 -1.549 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -14.539 4.478 -2.290 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -14.870 2.868 -2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -14.880 -0.413 -1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -15.494 1.052 -2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -13.827 0.503 -2.592 1.00 0.00 H new ATOM 1307 N GLY A 95 -11.524 4.009 -3.740 1.00 0.00 N ATOM 1308 CA GLY A 95 -11.167 5.165 -4.544 1.00 0.00 C ATOM 1309 C GLY A 95 -9.716 5.580 -4.291 1.00 0.00 C ATOM 1310 O GLY A 95 -9.057 6.121 -5.178 1.00 0.00 O ATOM 0 H GLY A 95 -11.339 3.108 -4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.304 4.934 -5.600 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.833 5.995 -4.310 1.00 0.00 H new ATOM 1314 N LYS A 96 -9.261 5.312 -3.075 1.00 0.00 N ATOM 1315 CA LYS A 96 -7.899 5.651 -2.695 1.00 0.00 C ATOM 1316 C LYS A 96 -6.945 5.251 -3.820 1.00 0.00 C ATOM 1317 O LYS A 96 -7.293 4.437 -4.674 1.00 0.00 O ATOM 1318 CB LYS A 96 -7.552 5.029 -1.341 1.00 0.00 C ATOM 1319 CG LYS A 96 -8.472 5.558 -0.240 1.00 0.00 C ATOM 1320 CD LYS A 96 -7.735 5.644 1.098 1.00 0.00 C ATOM 1321 CE LYS A 96 -8.259 6.810 1.939 1.00 0.00 C ATOM 1322 NZ LYS A 96 -9.399 6.374 2.775 1.00 0.00 N ATOM 0 H LYS A 96 -9.810 4.865 -2.341 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.797 6.728 -2.561 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.640 3.944 -1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.515 5.251 -1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.846 6.544 -0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.339 4.904 -0.140 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.860 4.710 1.647 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.667 5.770 0.921 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.461 7.196 2.574 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.570 7.626 1.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.743 7.177 3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.165 6.027 2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.091 5.611 3.411 1.00 0.00 H new ATOM 1332 N THR A 97 -5.758 5.840 -3.784 1.00 0.00 N ATOM 1333 CA THR A 97 -4.750 5.555 -4.791 1.00 0.00 C ATOM 1334 C THR A 97 -3.407 5.246 -4.127 1.00 0.00 C ATOM 1335 O THR A 97 -2.418 5.938 -4.368 1.00 0.00 O ATOM 1336 CB THR A 97 -4.694 6.743 -5.754 1.00 0.00 C ATOM 1337 OG1 THR A 97 -3.873 6.283 -6.825 1.00 0.00 O ATOM 1338 CG2 THR A 97 -3.921 7.930 -5.175 1.00 0.00 C ATOM 0 H THR A 97 -5.472 6.513 -3.073 1.00 0.00 H new ATOM 0 HA THR A 97 -5.005 4.665 -5.366 1.00 0.00 H new ATOM 0 HB THR A 97 -5.708 7.057 -6.003 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.784 6.991 -7.497 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.911 8.746 -5.898 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.403 8.265 -4.257 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.897 7.626 -4.957 1.00 0.00 H new ATOM 1346 N TYR A 98 -3.414 4.207 -3.306 1.00 0.00 N ATOM 1347 CA TYR A 98 -2.208 3.798 -2.606 1.00 0.00 C ATOM 1348 C TYR A 98 -1.640 4.948 -1.774 1.00 0.00 C ATOM 1349 O TYR A 98 -1.826 4.991 -0.559 1.00 0.00 O ATOM 1350 CB TYR A 98 -1.197 3.423 -3.692 1.00 0.00 C ATOM 1351 CG TYR A 98 0.225 3.203 -3.169 1.00 0.00 C ATOM 1352 CD1 TYR A 98 0.432 2.462 -2.024 1.00 0.00 C ATOM 1353 CD2 TYR A 98 1.299 3.747 -3.844 1.00 0.00 C ATOM 1354 CE1 TYR A 98 1.770 2.257 -1.532 1.00 0.00 C ATOM 1355 CE2 TYR A 98 2.638 3.541 -3.352 1.00 0.00 C ATOM 1356 CZ TYR A 98 2.807 2.805 -2.221 1.00 0.00 C ATOM 1357 OH TYR A 98 4.070 2.611 -1.756 1.00 0.00 O ATOM 0 H TYR A 98 -4.236 3.636 -3.109 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.420 2.971 -1.928 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.535 2.514 -4.190 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -1.179 4.211 -4.445 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.409 2.036 -1.497 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.136 4.327 -4.740 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.946 1.681 -0.636 1.00 0.00 H new ATOM 0 HE2 TYR A 98 3.488 3.961 -3.870 1.00 0.00 H new ATOM 0 HH TYR A 98 4.709 3.059 -2.349 1.00 0.00 H new ATOM 1366 N SER A 99 -0.959 5.854 -2.461 1.00 0.00 N ATOM 1367 CA SER A 99 -0.364 7.003 -1.798 1.00 0.00 C ATOM 1368 C SER A 99 -1.286 7.502 -0.685 1.00 0.00 C ATOM 1369 O SER A 99 -0.816 8.012 0.331 1.00 0.00 O ATOM 1370 CB SER A 99 -0.082 8.127 -2.796 1.00 0.00 C ATOM 1371 OG SER A 99 -0.462 7.773 -4.123 1.00 0.00 O ATOM 0 H SER A 99 -0.806 5.816 -3.469 1.00 0.00 H new ATOM 0 HA SER A 99 0.585 6.692 -1.362 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.621 9.025 -2.492 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.980 8.371 -2.776 1.00 0.00 H new ATOM 0 HG SER A 99 -0.267 8.518 -4.729 1.00 0.00 H new ATOM 1376 N GLN A 100 -2.581 7.336 -0.913 1.00 0.00 N ATOM 1377 CA GLN A 100 -3.573 7.764 0.059 1.00 0.00 C ATOM 1378 C GLN A 100 -3.441 6.947 1.346 1.00 0.00 C ATOM 1379 O GLN A 100 -3.147 7.495 2.407 1.00 0.00 O ATOM 1380 CB GLN A 100 -4.985 7.657 -0.516 1.00 0.00 C ATOM 1381 CG GLN A 100 -5.401 8.962 -1.198 1.00 0.00 C ATOM 1382 CD GLN A 100 -6.684 9.520 -0.580 1.00 0.00 C ATOM 1383 OE1 GLN A 100 -7.776 9.015 -0.793 1.00 0.00 O ATOM 1384 NE2 GLN A 100 -6.494 10.584 0.193 1.00 0.00 N ATOM 0 H GLN A 100 -2.966 6.911 -1.757 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.392 8.812 0.297 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.028 6.838 -1.234 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.689 7.419 0.281 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.600 9.696 -1.106 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.553 8.787 -2.263 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.553 10.955 0.328 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.289 11.030 0.651 1.00 0.00 H new ATOM 1391 N VAL A 101 -3.666 5.647 1.209 1.00 0.00 N ATOM 1392 CA VAL A 101 -3.575 4.750 2.348 1.00 0.00 C ATOM 1393 C VAL A 101 -2.220 4.933 3.032 1.00 0.00 C ATOM 1394 O VAL A 101 -2.126 4.875 4.258 1.00 0.00 O ATOM 1395 CB VAL A 101 -3.826 3.307 1.898 1.00 0.00 C ATOM 1396 CG1 VAL A 101 -5.305 3.083 1.579 1.00 0.00 C ATOM 1397 CG2 VAL A 101 -2.946 2.946 0.700 1.00 0.00 C ATOM 0 H VAL A 101 -3.911 5.195 0.328 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.344 4.988 3.083 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.557 2.647 2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.457 2.051 1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.903 3.281 2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.611 3.757 0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.144 1.917 0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -3.170 3.615 -0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.896 3.049 0.976 1.00 0.00 H new ATOM 1407 N ILE A 102 -1.203 5.154 2.212 1.00 0.00 N ATOM 1408 CA ILE A 102 0.143 5.348 2.724 1.00 0.00 C ATOM 1409 C ILE A 102 0.110 6.373 3.859 1.00 0.00 C ATOM 1410 O ILE A 102 0.646 6.127 4.938 1.00 0.00 O ATOM 1411 CB ILE A 102 1.098 5.718 1.588 1.00 0.00 C ATOM 1412 CG1 ILE A 102 1.438 4.494 0.735 1.00 0.00 C ATOM 1413 CG2 ILE A 102 2.354 6.404 2.130 1.00 0.00 C ATOM 1414 CD1 ILE A 102 2.045 3.380 1.591 1.00 0.00 C ATOM 0 H ILE A 102 -1.284 5.203 1.196 1.00 0.00 H new ATOM 0 HA ILE A 102 0.529 4.420 3.145 1.00 0.00 H new ATOM 0 HB ILE A 102 0.594 6.433 0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.537 4.129 0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.139 4.777 -0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.016 6.657 1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.072 7.314 2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.870 5.731 2.815 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.277 2.522 0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 102 2.959 3.741 2.063 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.332 3.083 2.360 1.00 0.00 H new ATOM 1425 N ALA A 103 -0.527 7.500 3.576 1.00 0.00 N ATOM 1426 CA ALA A 103 -0.638 8.564 4.560 1.00 0.00 C ATOM 1427 C ALA A 103 -1.262 8.007 5.840 1.00 0.00 C ATOM 1428 O ALA A 103 -0.761 8.249 6.937 1.00 0.00 O ATOM 1429 CB ALA A 103 -1.446 9.722 3.972 1.00 0.00 C ATOM 0 H ALA A 103 -0.971 7.700 2.680 1.00 0.00 H new ATOM 0 HA ALA A 103 0.347 8.953 4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.529 10.520 4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.943 10.102 3.083 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.442 9.371 3.704 1.00 0.00 H new ATOM 1435 N LEU A 104 -2.347 7.268 5.657 1.00 0.00 N ATOM 1436 CA LEU A 104 -3.046 6.673 6.784 1.00 0.00 C ATOM 1437 C LEU A 104 -2.046 5.905 7.650 1.00 0.00 C ATOM 1438 O LEU A 104 -2.102 5.973 8.878 1.00 0.00 O ATOM 1439 CB LEU A 104 -4.219 5.822 6.298 1.00 0.00 C ATOM 1440 CG LEU A 104 -5.355 6.577 5.604 1.00 0.00 C ATOM 1441 CD1 LEU A 104 -6.412 5.609 5.070 1.00 0.00 C ATOM 1442 CD2 LEU A 104 -5.959 7.631 6.533 1.00 0.00 C ATOM 0 H LEU A 104 -2.759 7.068 4.746 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.484 7.448 7.413 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.835 5.070 5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.634 5.288 7.153 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.940 7.104 4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.207 6.172 4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.954 4.930 4.351 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.829 5.034 5.897 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.764 8.153 6.016 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.355 7.146 7.425 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.189 8.346 6.821 1.00 0.00 H new ATOM 1453 N ILE A 105 -1.154 5.193 6.979 1.00 0.00 N ATOM 1454 CA ILE A 105 -0.142 4.412 7.673 1.00 0.00 C ATOM 1455 C ILE A 105 0.813 5.358 8.402 1.00 0.00 C ATOM 1456 O ILE A 105 1.122 5.151 9.574 1.00 0.00 O ATOM 1457 CB ILE A 105 0.556 3.458 6.702 1.00 0.00 C ATOM 1458 CG1 ILE A 105 -0.352 2.280 6.340 1.00 0.00 C ATOM 1459 CG2 ILE A 105 1.902 2.994 7.264 1.00 0.00 C ATOM 1460 CD1 ILE A 105 -0.065 1.783 4.923 1.00 0.00 C ATOM 0 H ILE A 105 -1.110 5.140 5.961 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.601 3.777 8.431 1.00 0.00 H new ATOM 0 HB ILE A 105 0.761 4.000 5.779 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.202 1.468 7.052 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.396 2.583 6.418 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.378 2.317 6.555 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.545 3.859 7.428 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.742 2.476 8.210 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -0.723 0.946 4.691 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.240 2.590 4.212 1.00 0.00 H new ATOM 0 HD13 ILE A 105 0.973 1.458 4.855 1.00 0.00 H new ATOM 1471 N GLN A 106 1.256 6.376 7.679 1.00 0.00 N ATOM 1472 CA GLN A 106 2.169 7.355 8.242 1.00 0.00 C ATOM 1473 C GLN A 106 1.533 8.039 9.452 1.00 0.00 C ATOM 1474 O GLN A 106 2.203 8.287 10.454 1.00 0.00 O ATOM 1475 CB GLN A 106 2.591 8.381 7.189 1.00 0.00 C ATOM 1476 CG GLN A 106 3.546 7.759 6.168 1.00 0.00 C ATOM 1477 CD GLN A 106 4.803 8.615 5.999 1.00 0.00 C ATOM 1478 OE1 GLN A 106 5.192 9.371 6.875 1.00 0.00 O ATOM 1479 NE2 GLN A 106 5.413 8.455 4.829 1.00 0.00 N ATOM 0 H GLN A 106 0.999 6.544 6.706 1.00 0.00 H new ATOM 0 HA GLN A 106 3.068 6.836 8.575 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.709 8.767 6.679 1.00 0.00 H new ATOM 0 HB3 GLN A 106 3.074 9.228 7.675 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.826 6.756 6.490 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.040 7.656 5.208 1.00 0.00 H new ATOM 0 HE21 GLN A 106 5.033 7.805 4.141 1.00 0.00 H new ATOM 0 HE22 GLN A 106 6.261 8.982 4.620 1.00 0.00 H new ATOM 1486 N ASN A 107 0.246 8.328 9.322 1.00 0.00 N ATOM 1487 CA ASN A 107 -0.487 8.980 10.392 1.00 0.00 C ATOM 1488 C ASN A 107 -1.290 7.932 11.167 1.00 0.00 C ATOM 1489 O ASN A 107 -2.281 8.261 11.818 1.00 0.00 O ATOM 1490 CB ASN A 107 -1.471 10.012 9.835 1.00 0.00 C ATOM 1491 CG ASN A 107 -0.776 11.352 9.586 1.00 0.00 C ATOM 1492 OD1 ASN A 107 -0.414 12.074 10.501 1.00 0.00 O ATOM 1493 ND2 ASN A 107 -0.610 11.644 8.299 1.00 0.00 N ATOM 0 H ASN A 107 -0.308 8.122 8.490 1.00 0.00 H new ATOM 0 HA ASN A 107 0.234 9.480 11.039 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -1.902 9.643 8.904 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.295 10.150 10.536 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -0.156 12.517 8.028 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -0.936 10.995 7.583 1.00 0.00 H new ATOM 1499 N SER A 108 -0.832 6.693 11.070 1.00 0.00 N ATOM 1500 CA SER A 108 -1.495 5.595 11.752 1.00 0.00 C ATOM 1501 C SER A 108 -1.697 5.943 13.229 1.00 0.00 C ATOM 1502 O SER A 108 -2.565 5.378 13.891 1.00 0.00 O ATOM 1503 CB SER A 108 -0.694 4.299 11.618 1.00 0.00 C ATOM 1504 OG SER A 108 0.653 4.455 12.056 1.00 0.00 O ATOM 0 H SER A 108 -0.010 6.425 10.529 1.00 0.00 H new ATOM 0 HA SER A 108 -2.467 5.439 11.285 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.176 3.514 12.200 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.701 3.974 10.577 1.00 0.00 H new ATOM 0 HG SER A 108 1.194 4.821 11.326 1.00 0.00 H new ATOM 1509 N ASP A 109 -0.879 6.872 13.703 1.00 0.00 N ATOM 1510 CA ASP A 109 -0.956 7.302 15.088 1.00 0.00 C ATOM 1511 C ASP A 109 -0.225 6.290 15.973 1.00 0.00 C ATOM 1512 O ASP A 109 0.710 5.629 15.524 1.00 0.00 O ATOM 1513 CB ASP A 109 -2.409 7.379 15.560 1.00 0.00 C ATOM 1514 CG ASP A 109 -2.691 8.456 16.609 1.00 0.00 C ATOM 1515 OD1 ASP A 109 -1.761 9.249 16.874 1.00 0.00 O ATOM 1516 OD2 ASP A 109 -3.831 8.463 17.122 1.00 0.00 O ATOM 0 H ASP A 109 -0.159 7.339 13.151 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.500 8.289 15.161 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.047 7.559 14.695 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.694 6.410 15.970 1.00 0.00 H new ATOM 1520 N THR A 110 -0.677 6.201 17.214 1.00 0.00 N ATOM 1521 CA THR A 110 -0.077 5.282 18.166 1.00 0.00 C ATOM 1522 C THR A 110 0.200 3.933 17.501 1.00 0.00 C ATOM 1523 O THR A 110 1.349 3.501 17.422 1.00 0.00 O ATOM 1524 CB THR A 110 -1.008 5.183 19.378 1.00 0.00 C ATOM 1525 OG1 THR A 110 -0.980 6.491 19.944 1.00 0.00 O ATOM 1526 CG2 THR A 110 -0.438 4.288 20.480 1.00 0.00 C ATOM 0 H THR A 110 -1.453 6.751 17.583 1.00 0.00 H new ATOM 0 HA THR A 110 0.892 5.644 18.511 1.00 0.00 H new ATOM 0 HB THR A 110 -1.978 4.798 19.062 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.558 6.518 20.735 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.136 4.251 21.316 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.286 3.282 20.089 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.515 4.692 20.820 1.00 0.00 H new ATOM 1534 N THR A 111 -0.873 3.303 17.041 1.00 0.00 N ATOM 1535 CA THR A 111 -0.757 2.012 16.385 1.00 0.00 C ATOM 1536 C THR A 111 -1.209 2.113 14.928 1.00 0.00 C ATOM 1537 O THR A 111 -1.763 3.130 14.513 1.00 0.00 O ATOM 1538 CB THR A 111 -1.561 0.996 17.200 1.00 0.00 C ATOM 1539 OG1 THR A 111 -2.584 1.774 17.814 1.00 0.00 O ATOM 1540 CG2 THR A 111 -0.765 0.431 18.379 1.00 0.00 C ATOM 0 H THR A 111 -1.825 3.663 17.110 1.00 0.00 H new ATOM 0 HA THR A 111 0.280 1.677 16.349 1.00 0.00 H new ATOM 0 HB THR A 111 -1.878 0.180 16.551 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.153 1.193 18.361 1.00 0.00 H new ATOM 0 HG21 THR A 111 -1.381 -0.284 18.924 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.130 -0.069 18.008 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.476 1.243 19.046 1.00 0.00 H new ATOM 1548 N LEU A 112 -0.954 1.043 14.187 1.00 0.00 N ATOM 1549 CA LEU A 112 -1.327 0.999 12.784 1.00 0.00 C ATOM 1550 C LEU A 112 -1.983 -0.349 12.477 1.00 0.00 C ATOM 1551 O LEU A 112 -1.329 -1.389 12.529 1.00 0.00 O ATOM 1552 CB LEU A 112 -0.117 1.307 11.899 1.00 0.00 C ATOM 1553 CG LEU A 112 -0.398 1.432 10.399 1.00 0.00 C ATOM 1554 CD1 LEU A 112 0.063 0.181 9.649 1.00 0.00 C ATOM 1555 CD2 LEU A 112 -1.873 1.744 10.142 1.00 0.00 C ATOM 0 H LEU A 112 -0.494 0.201 14.533 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.063 1.771 12.561 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.332 2.238 12.243 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.625 0.522 12.046 1.00 0.00 H new ATOM 0 HG LEU A 112 0.180 2.271 10.012 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.148 0.296 8.586 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.135 0.044 9.793 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.469 -0.690 10.033 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.046 1.828 9.069 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.490 0.942 10.547 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.136 2.685 10.626 1.00 0.00 H new ATOM 1566 N GLU A 113 -3.270 -0.287 12.166 1.00 0.00 N ATOM 1567 CA GLU A 113 -4.023 -1.489 11.851 1.00 0.00 C ATOM 1568 C GLU A 113 -4.042 -1.724 10.340 1.00 0.00 C ATOM 1569 O GLU A 113 -4.281 -0.796 9.567 1.00 0.00 O ATOM 1570 CB GLU A 113 -5.444 -1.407 12.412 1.00 0.00 C ATOM 1571 CG GLU A 113 -6.164 -2.752 12.281 1.00 0.00 C ATOM 1572 CD GLU A 113 -7.679 -2.558 12.208 1.00 0.00 C ATOM 1573 OE1 GLU A 113 -8.239 -2.072 13.216 1.00 0.00 O ATOM 1574 OE2 GLU A 113 -8.244 -2.900 11.146 1.00 0.00 O ATOM 0 H GLU A 113 -3.810 0.577 12.126 1.00 0.00 H new ATOM 0 HA GLU A 113 -3.529 -2.338 12.323 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.408 -1.110 13.460 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.004 -0.637 11.881 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -5.817 -3.269 11.386 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.916 -3.386 13.132 1.00 0.00 H new ATOM 1579 N LEU A 114 -3.787 -2.968 9.963 1.00 0.00 N ATOM 1580 CA LEU A 114 -3.772 -3.336 8.557 1.00 0.00 C ATOM 1581 C LEU A 114 -4.833 -4.408 8.303 1.00 0.00 C ATOM 1582 O LEU A 114 -5.277 -5.080 9.233 1.00 0.00 O ATOM 1583 CB LEU A 114 -2.363 -3.751 8.128 1.00 0.00 C ATOM 1584 CG LEU A 114 -1.333 -2.625 8.027 1.00 0.00 C ATOM 1585 CD1 LEU A 114 0.091 -3.177 8.101 1.00 0.00 C ATOM 1586 CD2 LEU A 114 -1.558 -1.786 6.768 1.00 0.00 C ATOM 0 H LEU A 114 -3.589 -3.734 10.607 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.031 -2.479 7.936 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.993 -4.492 8.836 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.430 -4.243 7.158 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.467 -1.963 8.882 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.804 -2.356 8.027 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.232 -3.695 9.050 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.254 -3.874 7.279 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.812 -0.993 6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.468 -2.421 5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.555 -1.345 6.798 1.00 0.00 H new ATOM 1597 N SER A 115 -5.212 -4.533 7.040 1.00 0.00 N ATOM 1598 CA SER A 115 -6.213 -5.512 6.653 1.00 0.00 C ATOM 1599 C SER A 115 -5.757 -6.259 5.397 1.00 0.00 C ATOM 1600 O SER A 115 -5.485 -5.643 4.369 1.00 0.00 O ATOM 1601 CB SER A 115 -7.569 -4.846 6.410 1.00 0.00 C ATOM 1602 OG SER A 115 -7.631 -3.540 6.978 1.00 0.00 O ATOM 0 H SER A 115 -4.844 -3.973 6.271 1.00 0.00 H new ATOM 0 HA SER A 115 -6.329 -6.224 7.470 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.756 -4.784 5.338 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.359 -5.465 6.836 1.00 0.00 H new ATOM 0 HG SER A 115 -8.446 -3.455 7.515 1.00 0.00 H new ATOM 1607 N VAL A 116 -5.687 -7.576 5.524 1.00 0.00 N ATOM 1608 CA VAL A 116 -5.269 -8.413 4.412 1.00 0.00 C ATOM 1609 C VAL A 116 -6.288 -9.538 4.215 1.00 0.00 C ATOM 1610 O VAL A 116 -7.388 -9.486 4.763 1.00 0.00 O ATOM 1611 CB VAL A 116 -3.850 -8.928 4.651 1.00 0.00 C ATOM 1612 CG1 VAL A 116 -2.843 -7.775 4.677 1.00 0.00 C ATOM 1613 CG2 VAL A 116 -3.773 -9.750 5.940 1.00 0.00 C ATOM 0 H VAL A 116 -5.913 -8.084 6.379 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.240 -7.835 3.488 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.589 -9.583 3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.842 -8.170 4.849 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.867 -7.249 3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.102 -7.083 5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.752 -10.104 6.085 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.065 -9.128 6.786 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.446 -10.604 5.868 1.00 0.00 H new ATOM 1623 N MET A 117 -5.885 -10.526 3.429 1.00 0.00 N ATOM 1624 CA MET A 117 -6.750 -11.659 3.151 1.00 0.00 C ATOM 1625 C MET A 117 -5.960 -12.811 2.525 1.00 0.00 C ATOM 1626 O MET A 117 -6.306 -13.291 1.448 1.00 0.00 O ATOM 1627 CB MET A 117 -7.868 -11.231 2.199 1.00 0.00 C ATOM 1628 CG MET A 117 -7.365 -10.187 1.199 1.00 0.00 C ATOM 1629 SD MET A 117 -6.313 -10.963 -0.016 1.00 0.00 S ATOM 1630 CE MET A 117 -4.714 -10.644 0.708 1.00 0.00 C ATOM 0 H MET A 117 -4.972 -10.565 2.977 1.00 0.00 H new ATOM 0 HA MET A 117 -7.177 -12.004 4.093 1.00 0.00 H new ATOM 0 HB2 MET A 117 -8.247 -12.101 1.663 1.00 0.00 H new ATOM 0 HB3 MET A 117 -8.701 -10.821 2.771 1.00 0.00 H new ATOM 0 HG2 MET A 117 -8.210 -9.706 0.706 1.00 0.00 H new ATOM 0 HG3 MET A 117 -6.815 -9.405 1.723 1.00 0.00 H new ATOM 0 HE1 MET A 117 -3.962 -10.592 -0.079 1.00 0.00 H new ATOM 0 HE2 MET A 117 -4.741 -9.697 1.247 1.00 0.00 H new ATOM 0 HE3 MET A 117 -4.461 -11.448 1.399 1.00 0.00 H new ATOM 1638 N PRO A 118 -4.886 -13.231 3.246 1.00 0.00 N ATOM 1639 CA PRO A 118 -4.044 -14.315 2.773 1.00 0.00 C ATOM 1640 C PRO A 118 -4.737 -15.667 2.955 1.00 0.00 C ATOM 1641 O PRO A 118 -5.770 -15.755 3.618 1.00 0.00 O ATOM 1642 CB PRO A 118 -2.759 -14.195 3.575 1.00 0.00 C ATOM 1643 CG PRO A 118 -3.101 -13.343 4.786 1.00 0.00 C ATOM 1644 CD PRO A 118 -4.447 -12.684 4.526 1.00 0.00 C ATOM 0 HA PRO A 118 -3.838 -14.251 1.704 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -2.395 -15.177 3.878 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -1.970 -13.732 2.982 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -3.144 -13.957 5.685 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -2.332 -12.589 4.952 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -5.159 -12.912 5.319 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.355 -11.599 4.482 1.00 0.00 H new ATOM 1649 N LYS A 119 -4.141 -16.688 2.356 1.00 0.00 N ATOM 1650 CA LYS A 119 -4.690 -18.032 2.444 1.00 0.00 C ATOM 1651 C LYS A 119 -3.544 -19.036 2.576 1.00 0.00 C ATOM 1652 O LYS A 119 -3.443 -19.739 3.581 1.00 0.00 O ATOM 1653 CB LYS A 119 -5.618 -18.309 1.260 1.00 0.00 C ATOM 1654 CG LYS A 119 -5.664 -19.805 0.939 1.00 0.00 C ATOM 1655 CD LYS A 119 -6.349 -20.585 2.061 1.00 0.00 C ATOM 1656 CE LYS A 119 -6.944 -21.893 1.536 1.00 0.00 C ATOM 1657 NZ LYS A 119 -8.048 -22.350 2.410 1.00 0.00 N ATOM 0 H LYS A 119 -3.284 -16.612 1.808 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.309 -18.135 3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.622 -17.951 1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.274 -17.756 0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.198 -19.963 0.002 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.651 -20.181 0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.629 -20.800 2.851 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.136 -19.975 2.504 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.312 -21.750 0.520 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -6.169 -22.658 1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -8.440 -23.239 2.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -7.687 -22.507 3.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -8.794 -21.626 2.434 1.00 0.00 H new