USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=16 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 89 ASN : amide:sc= -5.78! C(o=-9.3!,f=-16!) USER MOD Set 1.2: A 108 SER OG : rot -70:sc= -3.54! USER MOD Single : A 10 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.593) 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= -0.15 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.408 K(o=-0.41,f=-2.8!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 49:sc= 0.0804 USER MOD Single : A 81 THR OG1 : rot 21:sc= 0.0821 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 169:sc= 0.862 (180deg=0.123!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= -1.61 USER MOD Single : A 99 SER OG : rot 180:sc= -2.74! USER MOD Single : A 100 GLN : amide:sc= -4.28! C(o=-4.3!,f=-3.9!) USER MOD Single : A 106 GLN : amide:sc= -0.222 K(o=-0.22,f=-0.92) USER MOD Single : A 107 ASN : amide:sc= 0.0127 X(o=0.013,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 67:sc= 0.0998 USER MOD Single : A 115 SER OG : rot -56:sc= -0.605! USER MOD Single : A 117 MET CE :methyl -129:sc= -2.89! (180deg=-4.24!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 9 -12.820 -11.459 7.006 1.00 0.00 N ATOM 70 CA PRO A 9 -11.535 -10.963 6.539 1.00 0.00 C ATOM 71 C PRO A 9 -10.459 -11.131 7.614 1.00 0.00 C ATOM 72 O PRO A 9 -10.756 -11.543 8.736 1.00 0.00 O ATOM 73 CB PRO A 9 -11.784 -9.509 6.171 1.00 0.00 C ATOM 74 CG PRO A 9 -13.072 -9.116 6.876 1.00 0.00 C ATOM 75 CD PRO A 9 -13.751 -10.389 7.353 1.00 0.00 C ATOM 0 HA PRO A 9 -11.157 -11.518 5.681 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.955 -8.878 6.491 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.877 -9.390 5.092 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.860 -8.458 7.719 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.725 -8.566 6.199 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.938 -10.360 8.426 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.716 -10.530 6.865 1.00 0.00 H new ATOM 80 N LYS A 10 -9.233 -10.806 7.235 1.00 0.00 N ATOM 81 CA LYS A 10 -8.111 -10.916 8.152 1.00 0.00 C ATOM 82 C LYS A 10 -7.738 -9.523 8.664 1.00 0.00 C ATOM 83 O LYS A 10 -7.749 -8.554 7.905 1.00 0.00 O ATOM 84 CB LYS A 10 -6.949 -11.659 7.491 1.00 0.00 C ATOM 85 CG LYS A 10 -5.634 -11.383 8.223 1.00 0.00 C ATOM 86 CD LYS A 10 -4.843 -12.676 8.435 1.00 0.00 C ATOM 87 CE LYS A 10 -3.563 -12.678 7.596 1.00 0.00 C ATOM 88 NZ LYS A 10 -3.088 -14.064 7.381 1.00 0.00 N ATOM 0 H LYS A 10 -8.991 -10.466 6.304 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.387 -11.513 9.021 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.151 -12.730 7.490 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.861 -11.351 6.449 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.035 -10.676 7.649 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.841 -10.917 9.186 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.591 -12.784 9.490 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.460 -13.533 8.165 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.750 -12.198 6.635 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.790 -12.096 8.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.140 -14.174 7.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.744 -14.730 7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.046 -14.262 6.361 1.00 0.00 H new ATOM 98 N THR A 11 -7.418 -9.466 9.949 1.00 0.00 N ATOM 99 CA THR A 11 -7.043 -8.208 10.571 1.00 0.00 C ATOM 100 C THR A 11 -5.682 -8.337 11.258 1.00 0.00 C ATOM 101 O THR A 11 -5.389 -9.359 11.877 1.00 0.00 O ATOM 102 CB THR A 11 -8.167 -7.797 11.524 1.00 0.00 C ATOM 103 OG1 THR A 11 -9.310 -7.676 10.681 1.00 0.00 O ATOM 104 CG2 THR A 11 -7.971 -6.390 12.091 1.00 0.00 C ATOM 0 H THR A 11 -7.411 -10.271 10.576 1.00 0.00 H new ATOM 0 HA THR A 11 -6.924 -7.420 9.827 1.00 0.00 H new ATOM 0 HB THR A 11 -8.226 -8.513 12.344 1.00 0.00 H new ATOM 0 HG1 THR A 11 -10.086 -7.414 11.218 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.797 -6.149 12.761 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.032 -6.348 12.643 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.944 -5.669 11.274 1.00 0.00 H new ATOM 112 N VAL A 12 -4.885 -7.287 11.123 1.00 0.00 N ATOM 113 CA VAL A 12 -3.561 -7.271 11.723 1.00 0.00 C ATOM 114 C VAL A 12 -3.267 -5.869 12.260 1.00 0.00 C ATOM 115 O VAL A 12 -3.636 -4.873 11.642 1.00 0.00 O ATOM 116 CB VAL A 12 -2.521 -7.753 10.710 1.00 0.00 C ATOM 117 CG1 VAL A 12 -2.312 -9.266 10.816 1.00 0.00 C ATOM 118 CG2 VAL A 12 -2.917 -7.353 9.287 1.00 0.00 C ATOM 0 H VAL A 12 -5.130 -6.442 10.607 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.516 -7.959 12.567 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.574 -7.267 10.944 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.568 -9.583 10.085 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.965 -9.516 11.819 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.254 -9.778 10.620 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.161 -7.707 8.586 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.880 -7.799 9.038 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.992 -6.268 9.222 1.00 0.00 H new ATOM 128 N THR A 13 -2.604 -5.837 13.408 1.00 0.00 N ATOM 129 CA THR A 13 -2.256 -4.573 14.036 1.00 0.00 C ATOM 130 C THR A 13 -0.738 -4.375 14.028 1.00 0.00 C ATOM 131 O THR A 13 0.016 -5.338 13.917 1.00 0.00 O ATOM 132 CB THR A 13 -2.864 -4.560 15.440 1.00 0.00 C ATOM 133 OG1 THR A 13 -4.173 -5.090 15.257 1.00 0.00 O ATOM 134 CG2 THR A 13 -3.105 -3.142 15.960 1.00 0.00 C ATOM 0 H THR A 13 -2.299 -6.666 13.919 1.00 0.00 H new ATOM 0 HA THR A 13 -2.665 -3.729 13.482 1.00 0.00 H new ATOM 0 HB THR A 13 -2.204 -5.091 16.126 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.638 -5.119 16.119 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.537 -3.190 16.960 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.158 -2.603 15.999 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.791 -2.621 15.292 1.00 0.00 H new ATOM 142 N LEU A 14 -0.338 -3.117 14.147 1.00 0.00 N ATOM 143 CA LEU A 14 1.074 -2.779 14.156 1.00 0.00 C ATOM 144 C LEU A 14 1.314 -1.631 15.138 1.00 0.00 C ATOM 145 O LEU A 14 0.534 -0.681 15.190 1.00 0.00 O ATOM 146 CB LEU A 14 1.563 -2.487 12.736 1.00 0.00 C ATOM 147 CG LEU A 14 1.474 -3.645 11.742 1.00 0.00 C ATOM 148 CD1 LEU A 14 0.124 -3.647 11.022 1.00 0.00 C ATOM 149 CD2 LEU A 14 2.647 -3.620 10.762 1.00 0.00 C ATOM 0 H LEU A 14 -0.968 -2.320 14.238 1.00 0.00 H new ATOM 0 HA LEU A 14 1.666 -3.625 14.505 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.987 -1.650 12.340 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.602 -2.161 12.791 1.00 0.00 H new ATOM 0 HG LEU A 14 1.543 -4.579 12.300 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.087 -4.481 10.321 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.678 -3.752 11.753 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.000 -2.710 10.479 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.558 -4.455 10.067 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.637 -2.682 10.206 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.583 -3.705 11.313 1.00 0.00 H new ATOM 160 N LYS A 15 2.395 -1.758 15.892 1.00 0.00 N ATOM 161 CA LYS A 15 2.748 -0.742 16.871 1.00 0.00 C ATOM 162 C LYS A 15 4.147 -0.207 16.563 1.00 0.00 C ATOM 163 O LYS A 15 5.132 -0.936 16.668 1.00 0.00 O ATOM 164 CB LYS A 15 2.599 -1.290 18.291 1.00 0.00 C ATOM 165 CG LYS A 15 1.297 -2.082 18.439 1.00 0.00 C ATOM 166 CD LYS A 15 0.624 -1.784 19.781 1.00 0.00 C ATOM 167 CE LYS A 15 -0.102 -3.020 20.316 1.00 0.00 C ATOM 168 NZ LYS A 15 0.248 -3.253 21.735 1.00 0.00 N ATOM 0 H LYS A 15 3.039 -2.548 15.846 1.00 0.00 H new ATOM 0 HA LYS A 15 2.062 0.102 16.807 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.448 -1.931 18.528 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.612 -0.467 19.006 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.619 -1.830 17.624 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.505 -3.149 18.361 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.372 -1.457 20.503 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.085 -0.964 19.663 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.179 -2.887 20.218 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.167 -3.893 19.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.253 -4.095 22.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.274 -3.401 21.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.030 -2.426 22.301 1.00 0.00 H new ATOM 178 N ARG A 16 4.192 1.064 16.188 1.00 0.00 N ATOM 179 CA ARG A 16 5.455 1.705 15.864 1.00 0.00 C ATOM 180 C ARG A 16 6.533 1.288 16.864 1.00 0.00 C ATOM 181 O ARG A 16 6.448 1.611 18.047 1.00 0.00 O ATOM 182 CB ARG A 16 5.317 3.229 15.878 1.00 0.00 C ATOM 183 CG ARG A 16 6.598 3.900 15.376 1.00 0.00 C ATOM 184 CD ARG A 16 6.290 4.911 14.269 1.00 0.00 C ATOM 185 NE ARG A 16 7.414 5.862 14.125 1.00 0.00 N ATOM 186 CZ ARG A 16 7.398 6.926 13.312 1.00 0.00 C ATOM 187 NH1 ARG A 16 6.316 7.181 12.562 1.00 0.00 N ATOM 188 NH2 ARG A 16 8.464 7.735 13.247 1.00 0.00 N ATOM 0 H ARG A 16 3.374 1.667 16.102 1.00 0.00 H new ATOM 0 HA ARG A 16 5.742 1.386 14.862 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.476 3.527 15.252 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.097 3.569 16.890 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.098 4.403 16.204 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.286 3.143 15.001 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.120 4.390 13.327 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.373 5.452 14.504 1.00 0.00 H new ATOM 0 HE ARG A 16 8.254 5.697 14.680 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.505 6.564 12.611 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.304 7.992 11.943 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.287 7.540 13.817 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.452 8.545 12.628 1.00 0.00 H new ATOM 264 N GLY A 22 7.727 -1.893 10.355 1.00 0.00 N ATOM 265 CA GLY A 22 8.477 -3.026 9.843 1.00 0.00 C ATOM 266 C GLY A 22 8.171 -3.263 8.362 1.00 0.00 C ATOM 267 O GLY A 22 8.933 -2.843 7.492 1.00 0.00 O ATOM 0 HA2 GLY A 22 9.545 -2.849 9.973 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.230 -3.919 10.417 1.00 0.00 H new ATOM 271 N PHE A 23 7.054 -3.935 8.121 1.00 0.00 N ATOM 272 CA PHE A 23 6.639 -4.230 6.761 1.00 0.00 C ATOM 273 C PHE A 23 6.696 -2.978 5.884 1.00 0.00 C ATOM 274 O PHE A 23 6.904 -1.875 6.385 1.00 0.00 O ATOM 275 CB PHE A 23 5.192 -4.723 6.832 1.00 0.00 C ATOM 276 CG PHE A 23 4.154 -3.600 6.874 1.00 0.00 C ATOM 277 CD1 PHE A 23 4.064 -2.799 7.969 1.00 0.00 C ATOM 278 CD2 PHE A 23 3.321 -3.403 5.817 1.00 0.00 C ATOM 279 CE1 PHE A 23 3.100 -1.755 8.007 1.00 0.00 C ATOM 280 CE2 PHE A 23 2.358 -2.361 5.856 1.00 0.00 C ATOM 281 CZ PHE A 23 2.268 -1.559 6.950 1.00 0.00 C ATOM 0 H PHE A 23 6.425 -4.283 8.844 1.00 0.00 H new ATOM 0 HA PHE A 23 7.303 -4.976 6.324 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.992 -5.357 5.968 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.074 -5.346 7.718 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.724 -2.956 8.809 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.392 -4.040 4.948 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.029 -1.117 8.876 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.697 -2.205 5.016 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.535 -0.766 6.979 1.00 0.00 H new ATOM 290 N THR A 24 6.508 -3.192 4.590 1.00 0.00 N ATOM 291 CA THR A 24 6.535 -2.094 3.638 1.00 0.00 C ATOM 292 C THR A 24 5.788 -2.477 2.359 1.00 0.00 C ATOM 293 O THR A 24 5.652 -3.659 2.046 1.00 0.00 O ATOM 294 CB THR A 24 7.998 -1.713 3.397 1.00 0.00 C ATOM 295 OG1 THR A 24 7.951 -0.855 2.261 1.00 0.00 O ATOM 296 CG2 THR A 24 8.843 -2.901 2.931 1.00 0.00 C ATOM 0 H THR A 24 6.336 -4.109 4.178 1.00 0.00 H new ATOM 0 HA THR A 24 6.016 -1.219 4.029 1.00 0.00 H new ATOM 0 HB THR A 24 8.422 -1.303 4.314 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.858 -0.560 2.036 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.872 -2.577 2.775 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.821 -3.683 3.690 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.439 -3.290 1.996 1.00 0.00 H new ATOM 304 N LEU A 25 5.323 -1.455 1.655 1.00 0.00 N ATOM 305 CA LEU A 25 4.593 -1.672 0.417 1.00 0.00 C ATOM 306 C LEU A 25 5.451 -1.210 -0.763 1.00 0.00 C ATOM 307 O LEU A 25 6.404 -0.452 -0.583 1.00 0.00 O ATOM 308 CB LEU A 25 3.222 -0.996 0.480 1.00 0.00 C ATOM 309 CG LEU A 25 2.460 -1.144 1.799 1.00 0.00 C ATOM 310 CD1 LEU A 25 2.388 -2.610 2.229 1.00 0.00 C ATOM 311 CD2 LEU A 25 3.073 -0.258 2.887 1.00 0.00 C ATOM 0 H LEU A 25 5.437 -0.476 1.918 1.00 0.00 H new ATOM 0 HA LEU A 25 4.395 -2.734 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.354 0.067 0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.603 -1.400 -0.321 1.00 0.00 H new ATOM 0 HG LEU A 25 1.436 -0.803 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.841 -2.687 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.874 -3.189 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.397 -3.000 2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.514 -0.381 3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.112 -0.546 3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.031 0.785 2.574 1.00 0.00 H new ATOM 322 N ARG A 26 5.085 -1.689 -1.942 1.00 0.00 N ATOM 323 CA ARG A 26 5.810 -1.336 -3.151 1.00 0.00 C ATOM 324 C ARG A 26 4.835 -1.129 -4.312 1.00 0.00 C ATOM 325 O ARG A 26 3.847 -1.852 -4.435 1.00 0.00 O ATOM 326 CB ARG A 26 6.816 -2.425 -3.527 1.00 0.00 C ATOM 327 CG ARG A 26 7.712 -1.969 -4.680 1.00 0.00 C ATOM 328 CD ARG A 26 8.961 -1.256 -4.154 1.00 0.00 C ATOM 329 NE ARG A 26 9.222 -0.037 -4.952 1.00 0.00 N ATOM 330 CZ ARG A 26 9.678 -0.047 -6.212 1.00 0.00 C ATOM 331 NH1 ARG A 26 9.929 -1.213 -6.823 1.00 0.00 N ATOM 332 NH2 ARG A 26 9.886 1.108 -6.858 1.00 0.00 N ATOM 0 H ARG A 26 4.296 -2.319 -2.086 1.00 0.00 H new ATOM 0 HA ARG A 26 6.351 -0.410 -2.956 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.430 -2.673 -2.661 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.285 -3.333 -3.812 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.006 -2.830 -5.280 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.155 -1.299 -5.335 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.824 -0.992 -3.105 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.820 -1.925 -4.205 1.00 0.00 H new ATOM 0 HE ARG A 26 9.044 0.867 -4.515 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.773 -2.092 -6.329 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.276 -1.222 -7.782 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.697 1.995 -6.391 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.233 1.101 -7.817 1.00 0.00 H new ATOM 862 N ILE A 63 -3.130 -3.135 -3.261 1.00 0.00 N ATOM 863 CA ILE A 63 -1.826 -2.987 -2.638 1.00 0.00 C ATOM 864 C ILE A 63 -1.276 -4.371 -2.285 1.00 0.00 C ATOM 865 O ILE A 63 -2.038 -5.319 -2.105 1.00 0.00 O ATOM 866 CB ILE A 63 -1.908 -2.035 -1.443 1.00 0.00 C ATOM 867 CG1 ILE A 63 -1.858 -0.576 -1.901 1.00 0.00 C ATOM 868 CG2 ILE A 63 -0.819 -2.351 -0.415 1.00 0.00 C ATOM 869 CD1 ILE A 63 -3.140 0.164 -1.510 1.00 0.00 C ATOM 0 HA ILE A 63 -1.121 -2.530 -3.332 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.869 -2.185 -0.951 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.996 -0.080 -1.454 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.725 -0.534 -2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.899 -1.660 0.424 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.942 -3.373 -0.057 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.161 -2.245 -0.879 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.080 1.199 -1.847 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.997 -0.321 -1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.257 0.141 -0.427 1.00 0.00 H new ATOM 880 N PHE A 64 0.045 -4.441 -2.197 1.00 0.00 N ATOM 881 CA PHE A 64 0.707 -5.693 -1.870 1.00 0.00 C ATOM 882 C PHE A 64 1.938 -5.449 -0.995 1.00 0.00 C ATOM 883 O PHE A 64 2.661 -4.474 -1.193 1.00 0.00 O ATOM 884 CB PHE A 64 1.151 -6.324 -3.190 1.00 0.00 C ATOM 885 CG PHE A 64 0.234 -7.445 -3.683 1.00 0.00 C ATOM 886 CD1 PHE A 64 -1.026 -7.157 -4.107 1.00 0.00 C ATOM 887 CD2 PHE A 64 0.680 -8.730 -3.698 1.00 0.00 C ATOM 888 CE1 PHE A 64 -1.877 -8.198 -4.564 1.00 0.00 C ATOM 889 CE2 PHE A 64 -0.171 -9.771 -4.155 1.00 0.00 C ATOM 890 CZ PHE A 64 -1.432 -9.483 -4.580 1.00 0.00 C ATOM 0 H PHE A 64 0.674 -3.652 -2.346 1.00 0.00 H new ATOM 0 HA PHE A 64 0.025 -6.341 -1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.201 -5.548 -3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.160 -6.720 -3.071 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.379 -6.136 -4.096 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.681 -8.958 -3.363 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.878 -7.969 -4.899 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.182 -10.792 -4.165 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.078 -10.274 -4.930 1.00 0.00 H new ATOM 899 N VAL A 65 2.140 -6.352 -0.047 1.00 0.00 N ATOM 900 CA VAL A 65 3.271 -6.248 0.858 1.00 0.00 C ATOM 901 C VAL A 65 4.566 -6.494 0.080 1.00 0.00 C ATOM 902 O VAL A 65 4.560 -7.187 -0.937 1.00 0.00 O ATOM 903 CB VAL A 65 3.090 -7.207 2.036 1.00 0.00 C ATOM 904 CG1 VAL A 65 4.262 -7.102 3.014 1.00 0.00 C ATOM 905 CG2 VAL A 65 1.758 -6.956 2.747 1.00 0.00 C ATOM 0 H VAL A 65 1.538 -7.160 0.114 1.00 0.00 H new ATOM 0 HA VAL A 65 3.331 -5.245 1.280 1.00 0.00 H new ATOM 0 HB VAL A 65 3.073 -8.223 1.642 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.108 -7.794 3.842 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.189 -7.353 2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.325 -6.084 3.399 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.654 -7.651 3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.733 -5.933 3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.937 -7.105 2.045 1.00 0.00 H new ATOM 915 N LYS A 66 5.643 -5.915 0.589 1.00 0.00 N ATOM 916 CA LYS A 66 6.942 -6.064 -0.047 1.00 0.00 C ATOM 917 C LYS A 66 7.841 -6.930 0.838 1.00 0.00 C ATOM 918 O LYS A 66 8.136 -8.075 0.497 1.00 0.00 O ATOM 919 CB LYS A 66 7.539 -4.692 -0.372 1.00 0.00 C ATOM 920 CG LYS A 66 8.750 -4.828 -1.298 1.00 0.00 C ATOM 921 CD LYS A 66 9.638 -3.584 -1.224 1.00 0.00 C ATOM 922 CE LYS A 66 10.932 -3.878 -0.464 1.00 0.00 C ATOM 923 NZ LYS A 66 12.002 -2.945 -0.881 1.00 0.00 N ATOM 0 H LYS A 66 5.644 -5.343 1.433 1.00 0.00 H new ATOM 0 HA LYS A 66 6.842 -6.579 -1.003 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.783 -4.065 -0.845 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.836 -4.193 0.550 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.328 -5.709 -1.020 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.413 -4.979 -2.324 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.874 -3.241 -2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.098 -2.776 -0.730 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.759 -3.787 0.608 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.245 -4.906 -0.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.873 -3.159 -0.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.178 -3.052 -1.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.708 -1.968 -0.681 1.00 0.00 H new ATOM 933 N GLN A 67 8.251 -6.352 1.957 1.00 0.00 N ATOM 934 CA GLN A 67 9.110 -7.057 2.893 1.00 0.00 C ATOM 935 C GLN A 67 8.531 -6.982 4.307 1.00 0.00 C ATOM 936 O GLN A 67 7.593 -6.225 4.558 1.00 0.00 O ATOM 937 CB GLN A 67 10.535 -6.501 2.855 1.00 0.00 C ATOM 938 CG GLN A 67 11.453 -7.403 2.026 1.00 0.00 C ATOM 939 CD GLN A 67 12.739 -7.726 2.792 1.00 0.00 C ATOM 940 OE1 GLN A 67 12.842 -7.537 3.991 1.00 0.00 O ATOM 941 NE2 GLN A 67 13.711 -8.221 2.030 1.00 0.00 N ATOM 0 H GLN A 67 8.004 -5.403 2.237 1.00 0.00 H new ATOM 0 HA GLN A 67 9.155 -8.105 2.595 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.526 -5.497 2.431 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.923 -6.415 3.870 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.932 -8.327 1.776 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.699 -6.911 1.085 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.558 -8.354 1.030 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.609 -8.467 2.445 1.00 0.00 H new ATOM 948 N VAL A 68 9.111 -7.778 5.194 1.00 0.00 N ATOM 949 CA VAL A 68 8.663 -7.809 6.575 1.00 0.00 C ATOM 950 C VAL A 68 9.882 -7.820 7.502 1.00 0.00 C ATOM 951 O VAL A 68 10.733 -8.702 7.402 1.00 0.00 O ATOM 952 CB VAL A 68 7.734 -9.006 6.796 1.00 0.00 C ATOM 953 CG1 VAL A 68 7.469 -9.225 8.287 1.00 0.00 C ATOM 954 CG2 VAL A 68 6.424 -8.830 6.027 1.00 0.00 C ATOM 0 H VAL A 68 9.887 -8.406 4.983 1.00 0.00 H new ATOM 0 HA VAL A 68 8.084 -6.916 6.809 1.00 0.00 H new ATOM 0 HB VAL A 68 8.233 -9.895 6.410 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.807 -10.081 8.417 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.412 -9.415 8.800 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.000 -8.336 8.708 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.782 -9.693 6.200 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.919 -7.927 6.370 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.636 -8.744 4.961 1.00 0.00 H new ATOM 964 N LYS A 69 9.924 -6.830 8.380 1.00 0.00 N ATOM 965 CA LYS A 69 11.024 -6.715 9.324 1.00 0.00 C ATOM 966 C LYS A 69 10.952 -7.867 10.329 1.00 0.00 C ATOM 967 O LYS A 69 10.018 -7.941 11.128 1.00 0.00 O ATOM 968 CB LYS A 69 11.028 -5.330 9.975 1.00 0.00 C ATOM 969 CG LYS A 69 11.623 -5.389 11.383 1.00 0.00 C ATOM 970 CD LYS A 69 13.101 -5.778 11.339 1.00 0.00 C ATOM 971 CE LYS A 69 13.776 -5.527 12.689 1.00 0.00 C ATOM 972 NZ LYS A 69 14.854 -4.523 12.550 1.00 0.00 N ATOM 0 H LYS A 69 9.216 -6.100 8.459 1.00 0.00 H new ATOM 0 HA LYS A 69 11.980 -6.802 8.807 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.604 -4.637 9.361 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.010 -4.943 10.022 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.513 -4.419 11.869 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.071 -6.111 11.985 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.196 -6.830 11.071 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.608 -5.205 10.563 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.038 -5.179 13.412 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.187 -6.459 13.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.302 -4.364 13.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.566 -4.869 11.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.453 -3.629 12.202 1.00 0.00 H new ATOM 982 N GLU A 70 11.949 -8.736 10.257 1.00 0.00 N ATOM 983 CA GLU A 70 12.009 -9.881 11.149 1.00 0.00 C ATOM 984 C GLU A 70 12.239 -9.418 12.589 1.00 0.00 C ATOM 985 O GLU A 70 13.377 -9.196 13.000 1.00 0.00 O ATOM 986 CB GLU A 70 13.097 -10.863 10.709 1.00 0.00 C ATOM 987 CG GLU A 70 12.770 -12.285 11.170 1.00 0.00 C ATOM 988 CD GLU A 70 13.265 -13.317 10.154 1.00 0.00 C ATOM 989 OE1 GLU A 70 13.113 -13.043 8.945 1.00 0.00 O ATOM 990 OE2 GLU A 70 13.785 -14.359 10.611 1.00 0.00 O ATOM 0 H GLU A 70 12.722 -8.670 9.595 1.00 0.00 H new ATOM 0 HA GLU A 70 11.054 -10.404 11.103 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.194 -10.842 9.624 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.058 -10.555 11.121 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.232 -12.473 12.139 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.693 -12.389 11.305 1.00 0.00 H new ATOM 995 N GLY A 71 11.140 -9.288 13.318 1.00 0.00 N ATOM 996 CA GLY A 71 11.208 -8.856 14.704 1.00 0.00 C ATOM 997 C GLY A 71 10.599 -7.462 14.875 1.00 0.00 C ATOM 998 O GLY A 71 10.955 -6.734 15.799 1.00 0.00 O ATOM 0 H GLY A 71 10.198 -9.474 12.975 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.678 -9.568 15.337 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.246 -8.846 15.035 1.00 0.00 H new ATOM 1002 N GLY A 72 9.691 -7.134 13.967 1.00 0.00 N ATOM 1003 CA GLY A 72 9.028 -5.841 14.006 1.00 0.00 C ATOM 1004 C GLY A 72 7.567 -5.986 14.434 1.00 0.00 C ATOM 1005 O GLY A 72 7.199 -6.969 15.074 1.00 0.00 O ATOM 0 H GLY A 72 9.399 -7.741 13.201 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.550 -5.182 14.700 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.078 -5.373 13.023 1.00 0.00 H new ATOM 1009 N PRO A 73 6.752 -4.966 14.052 1.00 0.00 N ATOM 1010 CA PRO A 73 5.340 -4.970 14.391 1.00 0.00 C ATOM 1011 C PRO A 73 4.569 -5.960 13.512 1.00 0.00 C ATOM 1012 O PRO A 73 3.962 -6.902 14.019 1.00 0.00 O ATOM 1013 CB PRO A 73 4.885 -3.532 14.203 1.00 0.00 C ATOM 1014 CG PRO A 73 5.937 -2.873 13.325 1.00 0.00 C ATOM 1015 CD PRO A 73 7.153 -3.787 13.292 1.00 0.00 C ATOM 0 HA PRO A 73 5.154 -5.302 15.412 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.903 -3.492 13.732 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.800 -3.021 15.162 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.550 -2.715 12.318 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.206 -1.893 13.720 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.424 -4.049 12.269 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.023 -3.305 13.739 1.00 0.00 H new ATOM 1020 N ALA A 74 4.618 -5.711 12.212 1.00 0.00 N ATOM 1021 CA ALA A 74 3.932 -6.569 11.260 1.00 0.00 C ATOM 1022 C ALA A 74 4.295 -8.028 11.541 1.00 0.00 C ATOM 1023 O ALA A 74 3.415 -8.858 11.765 1.00 0.00 O ATOM 1024 CB ALA A 74 4.295 -6.141 9.836 1.00 0.00 C ATOM 0 H ALA A 74 5.122 -4.928 11.795 1.00 0.00 H new ATOM 0 HA ALA A 74 2.851 -6.473 11.365 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.781 -6.784 9.121 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.990 -5.106 9.678 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.372 -6.228 9.693 1.00 0.00 H new ATOM 1030 N PHE A 75 5.592 -8.297 11.521 1.00 0.00 N ATOM 1031 CA PHE A 75 6.081 -9.641 11.771 1.00 0.00 C ATOM 1032 C PHE A 75 5.284 -10.317 12.889 1.00 0.00 C ATOM 1033 O PHE A 75 4.899 -11.479 12.768 1.00 0.00 O ATOM 1034 CB PHE A 75 7.542 -9.514 12.207 1.00 0.00 C ATOM 1035 CG PHE A 75 8.052 -10.696 13.033 1.00 0.00 C ATOM 1036 CD1 PHE A 75 8.067 -11.945 12.494 1.00 0.00 C ATOM 1037 CD2 PHE A 75 8.491 -10.498 14.305 1.00 0.00 C ATOM 1038 CE1 PHE A 75 8.538 -13.043 13.260 1.00 0.00 C ATOM 1039 CE2 PHE A 75 8.964 -11.598 15.072 1.00 0.00 C ATOM 1040 CZ PHE A 75 8.977 -12.846 14.532 1.00 0.00 C ATOM 0 H PHE A 75 6.319 -7.606 11.335 1.00 0.00 H new ATOM 0 HA PHE A 75 5.977 -10.246 10.871 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.167 -9.408 11.320 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.658 -8.600 12.790 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.720 -12.101 11.483 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.480 -9.506 14.732 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.548 -14.035 12.833 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.313 -11.442 16.082 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.336 -13.682 15.114 1.00 0.00 H new ATOM 1049 N GLU A 76 5.061 -9.558 13.953 1.00 0.00 N ATOM 1050 CA GLU A 76 4.317 -10.068 15.092 1.00 0.00 C ATOM 1051 C GLU A 76 2.856 -10.309 14.707 1.00 0.00 C ATOM 1052 O GLU A 76 2.351 -11.423 14.843 1.00 0.00 O ATOM 1053 CB GLU A 76 4.419 -9.114 16.284 1.00 0.00 C ATOM 1054 CG GLU A 76 5.879 -8.889 16.683 1.00 0.00 C ATOM 1055 CD GLU A 76 6.200 -9.585 18.008 1.00 0.00 C ATOM 1056 OE1 GLU A 76 5.981 -10.814 18.069 1.00 0.00 O ATOM 1057 OE2 GLU A 76 6.658 -8.872 18.926 1.00 0.00 O ATOM 0 H GLU A 76 5.382 -8.595 14.050 1.00 0.00 H new ATOM 0 HA GLU A 76 4.755 -11.020 15.391 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.956 -8.160 16.031 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.866 -9.523 17.130 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.536 -9.269 15.900 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.074 -7.820 16.773 1.00 0.00 H new ATOM 1062 N ALA A 77 2.218 -9.248 14.235 1.00 0.00 N ATOM 1063 CA ALA A 77 0.826 -9.331 13.829 1.00 0.00 C ATOM 1064 C ALA A 77 0.584 -10.664 13.119 1.00 0.00 C ATOM 1065 O ALA A 77 -0.506 -11.225 13.198 1.00 0.00 O ATOM 1066 CB ALA A 77 0.479 -8.128 12.949 1.00 0.00 C ATOM 0 H ALA A 77 2.640 -8.326 14.125 1.00 0.00 H new ATOM 0 HA ALA A 77 0.170 -9.299 14.699 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.566 -8.190 12.644 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.639 -7.208 13.511 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.116 -8.128 12.064 1.00 0.00 H new ATOM 1072 N GLY A 78 1.621 -11.132 12.438 1.00 0.00 N ATOM 1073 CA GLY A 78 1.536 -12.388 11.714 1.00 0.00 C ATOM 1074 C GLY A 78 1.544 -12.150 10.202 1.00 0.00 C ATOM 1075 O GLY A 78 1.366 -13.086 9.422 1.00 0.00 O ATOM 0 H GLY A 78 2.524 -10.663 12.373 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.374 -13.028 11.990 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.625 -12.915 11.998 1.00 0.00 H new ATOM 1079 N LEU A 79 1.751 -10.895 9.833 1.00 0.00 N ATOM 1080 CA LEU A 79 1.785 -10.522 8.429 1.00 0.00 C ATOM 1081 C LEU A 79 2.770 -11.429 7.689 1.00 0.00 C ATOM 1082 O LEU A 79 3.379 -12.313 8.292 1.00 0.00 O ATOM 1083 CB LEU A 79 2.091 -9.031 8.277 1.00 0.00 C ATOM 1084 CG LEU A 79 1.293 -8.289 7.203 1.00 0.00 C ATOM 1085 CD1 LEU A 79 -0.121 -7.971 7.691 1.00 0.00 C ATOM 1086 CD2 LEU A 79 2.036 -7.035 6.737 1.00 0.00 C ATOM 0 H LEU A 79 1.897 -10.122 10.483 1.00 0.00 H new ATOM 0 HA LEU A 79 0.807 -10.671 7.972 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.912 -8.544 9.236 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.152 -8.919 8.055 1.00 0.00 H new ATOM 0 HG LEU A 79 1.193 -8.944 6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.666 -7.444 6.908 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.640 -8.899 7.933 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.066 -7.344 8.581 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.447 -6.526 5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.188 -6.366 7.584 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.003 -7.318 6.321 1.00 0.00 H new ATOM 1097 N CYS A 80 2.894 -11.182 6.394 1.00 0.00 N ATOM 1098 CA CYS A 80 3.794 -11.966 5.565 1.00 0.00 C ATOM 1099 C CYS A 80 4.073 -11.180 4.282 1.00 0.00 C ATOM 1100 O CYS A 80 3.705 -10.012 4.174 1.00 0.00 O ATOM 1101 CB CYS A 80 3.226 -13.357 5.272 1.00 0.00 C ATOM 1102 SG CYS A 80 4.124 -14.618 6.246 1.00 0.00 S ATOM 0 H CYS A 80 2.386 -10.450 5.898 1.00 0.00 H new ATOM 0 HA CYS A 80 4.730 -12.133 6.097 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.164 -13.384 5.517 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.313 -13.578 4.208 1.00 0.00 H new ATOM 0 HG CYS A 80 4.192 -14.240 7.488 1.00 0.00 H new ATOM 1107 N THR A 81 4.719 -11.854 3.343 1.00 0.00 N ATOM 1108 CA THR A 81 5.052 -11.234 2.071 1.00 0.00 C ATOM 1109 C THR A 81 4.096 -11.716 0.978 1.00 0.00 C ATOM 1110 O THR A 81 3.793 -12.904 0.891 1.00 0.00 O ATOM 1111 CB THR A 81 6.521 -11.533 1.768 1.00 0.00 C ATOM 1112 OG1 THR A 81 6.568 -12.952 1.647 1.00 0.00 O ATOM 1113 CG2 THR A 81 7.437 -11.228 2.955 1.00 0.00 C ATOM 0 H THR A 81 5.021 -12.824 3.437 1.00 0.00 H new ATOM 0 HA THR A 81 4.929 -10.152 2.114 1.00 0.00 H new ATOM 0 HB THR A 81 6.840 -10.949 0.905 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.670 -13.294 1.454 1.00 0.00 H new ATOM 0 HG21 THR A 81 8.468 -11.458 2.687 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.356 -10.173 3.215 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.140 -11.836 3.809 1.00 0.00 H new ATOM 1121 N GLY A 82 3.648 -10.766 0.169 1.00 0.00 N ATOM 1122 CA GLY A 82 2.732 -11.078 -0.916 1.00 0.00 C ATOM 1123 C GLY A 82 1.277 -10.940 -0.463 1.00 0.00 C ATOM 1124 O GLY A 82 0.357 -11.254 -1.216 1.00 0.00 O ATOM 0 H GLY A 82 3.902 -9.781 0.243 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.919 -10.411 -1.758 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.912 -12.094 -1.268 1.00 0.00 H new ATOM 1128 N ASP A 83 1.116 -10.471 0.765 1.00 0.00 N ATOM 1129 CA ASP A 83 -0.212 -10.287 1.327 1.00 0.00 C ATOM 1130 C ASP A 83 -0.899 -9.113 0.628 1.00 0.00 C ATOM 1131 O ASP A 83 -0.273 -8.087 0.368 1.00 0.00 O ATOM 1132 CB ASP A 83 -0.137 -9.968 2.822 1.00 0.00 C ATOM 1133 CG ASP A 83 0.708 -10.938 3.650 1.00 0.00 C ATOM 1134 OD1 ASP A 83 0.919 -12.068 3.157 1.00 0.00 O ATOM 1135 OD2 ASP A 83 1.123 -10.529 4.754 1.00 0.00 O ATOM 0 H ASP A 83 1.882 -10.213 1.387 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.771 -11.212 1.182 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.267 -8.963 2.944 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.149 -9.955 3.226 1.00 0.00 H new ATOM 1139 N ARG A 84 -2.179 -9.304 0.341 1.00 0.00 N ATOM 1140 CA ARG A 84 -2.958 -8.273 -0.323 1.00 0.00 C ATOM 1141 C ARG A 84 -3.686 -7.408 0.710 1.00 0.00 C ATOM 1142 O ARG A 84 -4.363 -7.929 1.594 1.00 0.00 O ATOM 1143 CB ARG A 84 -3.986 -8.889 -1.276 1.00 0.00 C ATOM 1144 CG ARG A 84 -5.084 -7.883 -1.623 1.00 0.00 C ATOM 1145 CD ARG A 84 -5.943 -8.386 -2.785 1.00 0.00 C ATOM 1146 NE ARG A 84 -7.322 -7.867 -2.657 1.00 0.00 N ATOM 1147 CZ ARG A 84 -8.282 -8.048 -3.575 1.00 0.00 C ATOM 1148 NH1 ARG A 84 -8.016 -8.736 -4.694 1.00 0.00 N ATOM 1149 NH2 ARG A 84 -9.506 -7.542 -3.375 1.00 0.00 N ATOM 0 H ARG A 84 -2.695 -10.157 0.556 1.00 0.00 H new ATOM 0 HA ARG A 84 -2.268 -7.655 -0.898 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.489 -9.219 -2.188 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -4.429 -9.772 -0.817 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -5.713 -7.710 -0.750 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.635 -6.926 -1.886 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -5.511 -8.065 -3.733 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.955 -9.476 -2.794 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.557 -7.338 -1.817 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.084 -9.121 -4.846 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.746 -8.874 -5.393 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.708 -7.018 -2.523 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.236 -7.680 -4.074 1.00 0.00 H new ATOM 1160 N ILE A 85 -3.520 -6.102 0.560 1.00 0.00 N ATOM 1161 CA ILE A 85 -4.153 -5.160 1.468 1.00 0.00 C ATOM 1162 C ILE A 85 -5.597 -4.922 1.025 1.00 0.00 C ATOM 1163 O ILE A 85 -5.856 -4.670 -0.151 1.00 0.00 O ATOM 1164 CB ILE A 85 -3.323 -3.879 1.575 1.00 0.00 C ATOM 1165 CG1 ILE A 85 -1.885 -4.192 1.991 1.00 0.00 C ATOM 1166 CG2 ILE A 85 -3.986 -2.873 2.518 1.00 0.00 C ATOM 1167 CD1 ILE A 85 -1.846 -4.909 3.342 1.00 0.00 C ATOM 0 H ILE A 85 -2.957 -5.674 -0.175 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.193 -5.572 2.476 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.280 -3.416 0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.411 -4.814 1.232 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.311 -3.267 2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.376 -1.972 2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.976 -2.617 2.140 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.080 -3.312 3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.811 -5.119 3.613 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.299 -4.274 4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.400 -5.845 3.273 1.00 0.00 H new ATOM 1178 N ILE A 86 -6.501 -5.009 1.990 1.00 0.00 N ATOM 1179 CA ILE A 86 -7.912 -4.805 1.714 1.00 0.00 C ATOM 1180 C ILE A 86 -8.403 -3.566 2.467 1.00 0.00 C ATOM 1181 O ILE A 86 -9.178 -2.777 1.931 1.00 0.00 O ATOM 1182 CB ILE A 86 -8.710 -6.072 2.031 1.00 0.00 C ATOM 1183 CG1 ILE A 86 -8.648 -6.399 3.524 1.00 0.00 C ATOM 1184 CG2 ILE A 86 -8.239 -7.245 1.169 1.00 0.00 C ATOM 1185 CD1 ILE A 86 -9.381 -7.706 3.830 1.00 0.00 C ATOM 0 H ILE A 86 -6.283 -5.218 2.964 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.067 -4.615 0.652 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.756 -5.888 1.784 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.608 -6.479 3.839 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -9.093 -5.586 4.097 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.822 -8.133 1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.375 -7.000 0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.184 -7.438 1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.322 -7.915 4.898 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.427 -7.614 3.536 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.918 -8.522 3.274 1.00 0.00 H new ATOM 1196 N LYS A 87 -7.929 -3.436 3.696 1.00 0.00 N ATOM 1197 CA LYS A 87 -8.308 -2.307 4.528 1.00 0.00 C ATOM 1198 C LYS A 87 -7.062 -1.740 5.212 1.00 0.00 C ATOM 1199 O LYS A 87 -6.018 -2.389 5.242 1.00 0.00 O ATOM 1200 CB LYS A 87 -9.416 -2.709 5.506 1.00 0.00 C ATOM 1201 CG LYS A 87 -10.683 -3.129 4.757 1.00 0.00 C ATOM 1202 CD LYS A 87 -11.158 -4.509 5.214 1.00 0.00 C ATOM 1203 CE LYS A 87 -11.800 -5.277 4.057 1.00 0.00 C ATOM 1204 NZ LYS A 87 -12.633 -6.386 4.572 1.00 0.00 N ATOM 0 H LYS A 87 -7.286 -4.094 4.136 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.728 -1.509 3.916 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.071 -3.531 6.134 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.641 -1.874 6.169 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.470 -2.395 4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.488 -3.144 3.685 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.315 -5.076 5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.877 -4.400 6.026 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.412 -4.602 3.459 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.025 -5.671 3.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.062 -6.897 3.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.040 -7.039 5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.384 -6.002 5.181 1.00 0.00 H new ATOM 1214 N VAL A 88 -7.213 -0.535 5.742 1.00 0.00 N ATOM 1215 CA VAL A 88 -6.113 0.127 6.421 1.00 0.00 C ATOM 1216 C VAL A 88 -6.671 1.055 7.502 1.00 0.00 C ATOM 1217 O VAL A 88 -7.121 2.161 7.205 1.00 0.00 O ATOM 1218 CB VAL A 88 -5.232 0.854 5.405 1.00 0.00 C ATOM 1219 CG1 VAL A 88 -4.491 2.023 6.059 1.00 0.00 C ATOM 1220 CG2 VAL A 88 -4.251 -0.111 4.738 1.00 0.00 C ATOM 0 H VAL A 88 -8.081 -0.000 5.715 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.476 -0.604 6.918 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.882 1.260 4.629 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.871 2.523 5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.214 2.731 6.464 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.859 1.648 6.864 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.637 0.433 4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.610 -0.560 5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.806 -0.894 4.221 1.00 0.00 H new ATOM 1230 N ASN A 89 -6.625 0.572 8.735 1.00 0.00 N ATOM 1231 CA ASN A 89 -7.120 1.343 9.861 1.00 0.00 C ATOM 1232 C ASN A 89 -8.646 1.423 9.788 1.00 0.00 C ATOM 1233 O ASN A 89 -9.234 2.456 10.107 1.00 0.00 O ATOM 1234 CB ASN A 89 -6.571 2.772 9.834 1.00 0.00 C ATOM 1235 CG ASN A 89 -5.106 2.788 9.395 1.00 0.00 C ATOM 1236 OD1 ASN A 89 -4.438 1.769 9.334 1.00 0.00 O ATOM 1237 ND2 ASN A 89 -4.644 3.998 9.096 1.00 0.00 N ATOM 0 H ASN A 89 -6.252 -0.345 8.978 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.796 0.848 10.776 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -7.165 3.381 9.153 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -6.663 3.219 10.824 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.677 4.114 8.794 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.257 4.810 9.168 1.00 0.00 H new ATOM 1243 N GLY A 90 -9.244 0.318 9.367 1.00 0.00 N ATOM 1244 CA GLY A 90 -10.691 0.249 9.248 1.00 0.00 C ATOM 1245 C GLY A 90 -11.188 1.121 8.093 1.00 0.00 C ATOM 1246 O GLY A 90 -12.379 1.418 8.003 1.00 0.00 O ATOM 0 H GLY A 90 -8.753 -0.537 9.104 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.997 -0.784 9.086 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.152 0.576 10.180 1.00 0.00 H new ATOM 1250 N GLU A 91 -10.251 1.505 7.239 1.00 0.00 N ATOM 1251 CA GLU A 91 -10.580 2.337 6.093 1.00 0.00 C ATOM 1252 C GLU A 91 -10.549 1.506 4.809 1.00 0.00 C ATOM 1253 O GLU A 91 -9.694 0.638 4.648 1.00 0.00 O ATOM 1254 CB GLU A 91 -9.633 3.534 5.996 1.00 0.00 C ATOM 1255 CG GLU A 91 -10.390 4.850 6.184 1.00 0.00 C ATOM 1256 CD GLU A 91 -11.477 5.015 5.119 1.00 0.00 C ATOM 1257 OE1 GLU A 91 -11.099 5.098 3.930 1.00 0.00 O ATOM 1258 OE2 GLU A 91 -12.662 5.051 5.517 1.00 0.00 O ATOM 0 H GLU A 91 -9.265 1.256 7.317 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.590 2.725 6.227 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.854 3.448 6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.137 3.532 5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.841 4.876 7.176 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.693 5.686 6.129 1.00 0.00 H new ATOM 1263 N SER A 92 -11.491 1.804 3.925 1.00 0.00 N ATOM 1264 CA SER A 92 -11.582 1.096 2.660 1.00 0.00 C ATOM 1265 C SER A 92 -10.577 1.677 1.662 1.00 0.00 C ATOM 1266 O SER A 92 -10.660 2.850 1.304 1.00 0.00 O ATOM 1267 CB SER A 92 -13.000 1.170 2.089 1.00 0.00 C ATOM 1268 OG SER A 92 -13.975 0.702 3.017 1.00 0.00 O ATOM 0 H SER A 92 -12.198 2.527 4.061 1.00 0.00 H new ATOM 0 HA SER A 92 -11.344 0.047 2.837 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.227 2.200 1.814 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.054 0.577 1.176 1.00 0.00 H new ATOM 0 HG SER A 92 -14.867 0.767 2.615 1.00 0.00 H new ATOM 1273 N VAL A 93 -9.650 0.827 1.245 1.00 0.00 N ATOM 1274 CA VAL A 93 -8.631 1.241 0.296 1.00 0.00 C ATOM 1275 C VAL A 93 -9.285 1.531 -1.057 1.00 0.00 C ATOM 1276 O VAL A 93 -8.824 2.393 -1.801 1.00 0.00 O ATOM 1277 CB VAL A 93 -7.532 0.178 0.212 1.00 0.00 C ATOM 1278 CG1 VAL A 93 -7.037 -0.209 1.607 1.00 0.00 C ATOM 1279 CG2 VAL A 93 -8.016 -1.051 -0.559 1.00 0.00 C ATOM 0 H VAL A 93 -9.583 -0.145 1.547 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.152 2.162 0.629 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.692 0.606 -0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.257 -0.965 1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.634 0.672 2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.867 -0.609 2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.216 -1.790 -0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.880 -1.481 -0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -8.297 -0.758 -1.571 1.00 0.00 H new ATOM 1289 N ILE A 94 -10.350 0.793 -1.332 1.00 0.00 N ATOM 1290 CA ILE A 94 -11.074 0.960 -2.582 1.00 0.00 C ATOM 1291 C ILE A 94 -11.395 2.442 -2.786 1.00 0.00 C ATOM 1292 O ILE A 94 -12.290 2.981 -2.136 1.00 0.00 O ATOM 1293 CB ILE A 94 -12.306 0.053 -2.614 1.00 0.00 C ATOM 1294 CG1 ILE A 94 -11.904 -1.420 -2.509 1.00 0.00 C ATOM 1295 CG2 ILE A 94 -13.157 0.328 -3.855 1.00 0.00 C ATOM 1296 CD1 ILE A 94 -12.197 -1.970 -1.111 1.00 0.00 C ATOM 0 H ILE A 94 -10.729 0.078 -0.711 1.00 0.00 H new ATOM 0 HA ILE A 94 -10.457 0.648 -3.424 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.922 0.282 -1.744 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.446 -2.003 -3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.842 -1.528 -2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -14.026 -0.330 -3.853 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -13.488 1.367 -3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.564 0.144 -4.751 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -11.902 -3.018 -1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.635 -1.401 -0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -13.263 -1.883 -0.902 1.00 0.00 H new ATOM 1307 N GLY A 95 -10.649 3.059 -3.691 1.00 0.00 N ATOM 1308 CA GLY A 95 -10.845 4.467 -3.988 1.00 0.00 C ATOM 1309 C GLY A 95 -9.627 5.290 -3.566 1.00 0.00 C ATOM 1310 O GLY A 95 -9.739 6.489 -3.317 1.00 0.00 O ATOM 0 H GLY A 95 -9.908 2.609 -4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.023 4.596 -5.056 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.732 4.832 -3.470 1.00 0.00 H new ATOM 1314 N LYS A 96 -8.489 4.613 -3.499 1.00 0.00 N ATOM 1315 CA LYS A 96 -7.250 5.266 -3.111 1.00 0.00 C ATOM 1316 C LYS A 96 -6.193 5.028 -4.190 1.00 0.00 C ATOM 1317 O LYS A 96 -6.398 4.224 -5.098 1.00 0.00 O ATOM 1318 CB LYS A 96 -6.818 4.812 -1.715 1.00 0.00 C ATOM 1319 CG LYS A 96 -7.589 5.565 -0.629 1.00 0.00 C ATOM 1320 CD LYS A 96 -7.264 5.011 0.759 1.00 0.00 C ATOM 1321 CE LYS A 96 -8.286 5.488 1.794 1.00 0.00 C ATOM 1322 NZ LYS A 96 -9.663 5.265 1.300 1.00 0.00 N ATOM 0 H LYS A 96 -8.399 3.618 -3.707 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.395 6.344 -3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.987 3.740 -1.609 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.748 4.980 -1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.338 6.625 -0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.660 5.483 -0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.256 3.922 0.727 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.265 5.329 1.056 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.139 4.954 2.733 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.135 6.547 2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.339 5.417 2.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.867 5.931 0.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.752 4.290 0.949 1.00 0.00 H new ATOM 1332 N THR A 97 -5.085 5.741 -4.055 1.00 0.00 N ATOM 1333 CA THR A 97 -3.995 5.616 -5.009 1.00 0.00 C ATOM 1334 C THR A 97 -2.661 5.455 -4.275 1.00 0.00 C ATOM 1335 O THR A 97 -1.691 6.144 -4.586 1.00 0.00 O ATOM 1336 CB THR A 97 -4.036 6.833 -5.936 1.00 0.00 C ATOM 1337 OG1 THR A 97 -3.250 6.442 -7.058 1.00 0.00 O ATOM 1338 CG2 THR A 97 -3.285 8.034 -5.357 1.00 0.00 C ATOM 0 H THR A 97 -4.918 6.407 -3.301 1.00 0.00 H new ATOM 0 HA THR A 97 -4.104 4.720 -5.620 1.00 0.00 H new ATOM 0 HB THR A 97 -5.073 7.109 -6.127 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.225 7.173 -7.710 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.344 8.870 -6.053 1.00 0.00 H new ATOM 0 HG22 THR A 97 -3.735 8.321 -4.406 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.240 7.768 -5.198 1.00 0.00 H new ATOM 1346 N TYR A 98 -2.657 4.541 -3.316 1.00 0.00 N ATOM 1347 CA TYR A 98 -1.459 4.280 -2.537 1.00 0.00 C ATOM 1348 C TYR A 98 -1.091 5.490 -1.676 1.00 0.00 C ATOM 1349 O TYR A 98 -1.093 5.406 -0.449 1.00 0.00 O ATOM 1350 CB TYR A 98 -0.342 4.033 -3.551 1.00 0.00 C ATOM 1351 CG TYR A 98 0.863 3.282 -2.979 1.00 0.00 C ATOM 1352 CD1 TYR A 98 0.672 2.157 -2.204 1.00 0.00 C ATOM 1353 CD2 TYR A 98 2.143 3.732 -3.238 1.00 0.00 C ATOM 1354 CE1 TYR A 98 1.805 1.451 -1.665 1.00 0.00 C ATOM 1355 CE2 TYR A 98 3.276 3.026 -2.699 1.00 0.00 C ATOM 1356 CZ TYR A 98 3.052 1.921 -1.941 1.00 0.00 C ATOM 1357 OH TYR A 98 4.124 1.254 -1.432 1.00 0.00 O ATOM 0 H TYR A 98 -3.464 3.972 -3.061 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.613 3.432 -1.870 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.746 3.466 -4.390 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -0.006 4.991 -3.946 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.329 1.805 -2.001 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.294 4.613 -3.844 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.669 0.569 -1.056 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.282 3.367 -2.893 1.00 0.00 H new ATOM 0 HH TYR A 98 4.950 1.701 -1.711 1.00 0.00 H new ATOM 1366 N SER A 99 -0.785 6.587 -2.352 1.00 0.00 N ATOM 1367 CA SER A 99 -0.415 7.813 -1.666 1.00 0.00 C ATOM 1368 C SER A 99 -1.424 8.114 -0.556 1.00 0.00 C ATOM 1369 O SER A 99 -1.094 8.780 0.424 1.00 0.00 O ATOM 1370 CB SER A 99 -0.332 8.988 -2.641 1.00 0.00 C ATOM 1371 OG SER A 99 -1.187 8.808 -3.767 1.00 0.00 O ATOM 0 H SER A 99 -0.786 6.652 -3.370 1.00 0.00 H new ATOM 0 HA SER A 99 0.572 7.674 -1.225 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.603 9.908 -2.124 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.697 9.105 -2.982 1.00 0.00 H new ATOM 0 HG SER A 99 -1.107 9.580 -4.365 1.00 0.00 H new ATOM 1376 N GLN A 100 -2.634 7.611 -0.748 1.00 0.00 N ATOM 1377 CA GLN A 100 -3.694 7.817 0.226 1.00 0.00 C ATOM 1378 C GLN A 100 -3.512 6.876 1.418 1.00 0.00 C ATOM 1379 O GLN A 100 -3.227 7.322 2.529 1.00 0.00 O ATOM 1380 CB GLN A 100 -5.071 7.631 -0.415 1.00 0.00 C ATOM 1381 CG GLN A 100 -5.497 8.888 -1.175 1.00 0.00 C ATOM 1382 CD GLN A 100 -6.746 8.623 -2.018 1.00 0.00 C ATOM 1383 OE1 GLN A 100 -7.865 8.616 -1.530 1.00 0.00 O ATOM 1384 NE2 GLN A 100 -6.494 8.406 -3.305 1.00 0.00 N ATOM 0 H GLN A 100 -2.905 7.061 -1.563 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.633 8.844 0.587 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.047 6.781 -1.096 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.807 7.401 0.356 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -5.695 9.694 -0.469 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -4.683 9.221 -1.819 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.533 8.426 -3.647 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.261 8.219 -3.951 1.00 0.00 H new ATOM 1391 N VAL A 101 -3.682 5.590 1.147 1.00 0.00 N ATOM 1392 CA VAL A 101 -3.540 4.583 2.183 1.00 0.00 C ATOM 1393 C VAL A 101 -2.212 4.791 2.913 1.00 0.00 C ATOM 1394 O VAL A 101 -2.129 4.599 4.127 1.00 0.00 O ATOM 1395 CB VAL A 101 -3.676 3.184 1.577 1.00 0.00 C ATOM 1396 CG1 VAL A 101 -5.111 2.919 1.122 1.00 0.00 C ATOM 1397 CG2 VAL A 101 -2.691 2.992 0.420 1.00 0.00 C ATOM 0 H VAL A 101 -3.917 5.223 0.225 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.336 4.681 2.921 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.432 2.458 2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.179 1.918 0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.784 2.996 1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.396 3.654 0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.807 1.990 0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.892 3.731 -0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.672 3.118 0.785 1.00 0.00 H new ATOM 1407 N ILE A 102 -1.206 5.182 2.145 1.00 0.00 N ATOM 1408 CA ILE A 102 0.114 5.419 2.704 1.00 0.00 C ATOM 1409 C ILE A 102 0.009 6.449 3.831 1.00 0.00 C ATOM 1410 O ILE A 102 0.537 6.237 4.922 1.00 0.00 O ATOM 1411 CB ILE A 102 1.100 5.813 1.602 1.00 0.00 C ATOM 1412 CG1 ILE A 102 1.522 4.592 0.782 1.00 0.00 C ATOM 1413 CG2 ILE A 102 2.303 6.558 2.183 1.00 0.00 C ATOM 1414 CD1 ILE A 102 2.287 3.589 1.649 1.00 0.00 C ATOM 0 H ILE A 102 -1.278 5.341 1.140 1.00 0.00 H new ATOM 0 HA ILE A 102 0.511 4.504 3.143 1.00 0.00 H new ATOM 0 HB ILE A 102 0.596 6.499 0.921 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.640 4.113 0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.147 4.908 -0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.988 6.826 1.379 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.962 7.463 2.686 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.817 5.916 2.899 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.576 2.730 1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.180 4.065 2.053 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.650 3.257 2.469 1.00 0.00 H new ATOM 1425 N ALA A 103 -0.678 7.540 3.530 1.00 0.00 N ATOM 1426 CA ALA A 103 -0.860 8.603 4.504 1.00 0.00 C ATOM 1427 C ALA A 103 -1.622 8.056 5.712 1.00 0.00 C ATOM 1428 O ALA A 103 -1.332 8.418 6.851 1.00 0.00 O ATOM 1429 CB ALA A 103 -1.578 9.782 3.846 1.00 0.00 C ATOM 0 H ALA A 103 -1.116 7.712 2.625 1.00 0.00 H new ATOM 0 HA ALA A 103 0.104 8.967 4.859 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.714 10.579 4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.981 10.152 3.013 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.551 9.456 3.479 1.00 0.00 H new ATOM 1435 N LEU A 104 -2.585 7.193 5.423 1.00 0.00 N ATOM 1436 CA LEU A 104 -3.392 6.592 6.472 1.00 0.00 C ATOM 1437 C LEU A 104 -2.480 5.851 7.449 1.00 0.00 C ATOM 1438 O LEU A 104 -2.794 5.740 8.634 1.00 0.00 O ATOM 1439 CB LEU A 104 -4.490 5.714 5.866 1.00 0.00 C ATOM 1440 CG LEU A 104 -5.610 6.452 5.130 1.00 0.00 C ATOM 1441 CD1 LEU A 104 -6.585 5.466 4.486 1.00 0.00 C ATOM 1442 CD2 LEU A 104 -6.321 7.438 6.060 1.00 0.00 C ATOM 0 H LEU A 104 -2.825 6.895 4.477 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.911 7.362 7.043 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.026 5.014 5.171 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.936 5.122 6.665 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.163 7.035 4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.371 6.017 3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.051 4.840 3.771 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.029 4.837 5.258 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.112 7.949 5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.754 6.897 6.902 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.604 8.171 6.430 1.00 0.00 H new ATOM 1453 N ILE A 105 -1.369 5.361 6.919 1.00 0.00 N ATOM 1454 CA ILE A 105 -0.410 4.633 7.730 1.00 0.00 C ATOM 1455 C ILE A 105 0.495 5.628 8.458 1.00 0.00 C ATOM 1456 O ILE A 105 0.732 5.496 9.658 1.00 0.00 O ATOM 1457 CB ILE A 105 0.353 3.617 6.876 1.00 0.00 C ATOM 1458 CG1 ILE A 105 -0.558 2.465 6.450 1.00 0.00 C ATOM 1459 CG2 ILE A 105 1.605 3.121 7.602 1.00 0.00 C ATOM 1460 CD1 ILE A 105 -0.117 1.886 5.104 1.00 0.00 C ATOM 0 H ILE A 105 -1.112 5.454 5.936 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.923 4.050 8.495 1.00 0.00 H new ATOM 0 HB ILE A 105 0.686 4.117 5.966 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.541 1.683 7.209 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.587 2.818 6.379 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.129 2.400 6.974 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.262 3.965 7.812 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.317 2.644 8.539 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -0.781 1.068 4.824 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.159 2.664 4.342 1.00 0.00 H new ATOM 0 HD13 ILE A 105 0.904 1.512 5.186 1.00 0.00 H new ATOM 1471 N GLN A 106 0.979 6.603 7.700 1.00 0.00 N ATOM 1472 CA GLN A 106 1.854 7.620 8.259 1.00 0.00 C ATOM 1473 C GLN A 106 1.095 8.469 9.281 1.00 0.00 C ATOM 1474 O GLN A 106 1.697 9.026 10.200 1.00 0.00 O ATOM 1475 CB GLN A 106 2.451 8.494 7.154 1.00 0.00 C ATOM 1476 CG GLN A 106 3.273 7.657 6.175 1.00 0.00 C ATOM 1477 CD GLN A 106 4.600 8.343 5.844 1.00 0.00 C ATOM 1478 OE1 GLN A 106 5.220 8.987 6.675 1.00 0.00 O ATOM 1479 NE2 GLN A 106 4.998 8.172 4.587 1.00 0.00 N ATOM 0 H GLN A 106 0.782 6.710 6.705 1.00 0.00 H new ATOM 0 HA GLN A 106 2.679 7.123 8.770 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.651 9.005 6.618 1.00 0.00 H new ATOM 0 HB3 GLN A 106 3.081 9.265 7.597 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.465 6.674 6.605 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.703 7.499 5.259 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.431 7.621 3.943 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.871 8.592 4.267 1.00 0.00 H new ATOM 1486 N ASN A 107 -0.214 8.540 9.089 1.00 0.00 N ATOM 1487 CA ASN A 107 -1.060 9.312 9.983 1.00 0.00 C ATOM 1488 C ASN A 107 -1.886 8.358 10.848 1.00 0.00 C ATOM 1489 O ASN A 107 -2.952 8.724 11.339 1.00 0.00 O ATOM 1490 CB ASN A 107 -2.029 10.198 9.197 1.00 0.00 C ATOM 1491 CG ASN A 107 -1.333 11.465 8.699 1.00 0.00 C ATOM 1492 OD1 ASN A 107 -0.980 12.352 9.460 1.00 0.00 O ATOM 1493 ND2 ASN A 107 -1.156 11.503 7.381 1.00 0.00 N ATOM 0 H ASN A 107 -0.709 8.076 8.328 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.415 9.940 10.598 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -2.430 9.642 8.349 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.875 10.468 9.829 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -0.701 12.308 6.951 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -1.475 10.727 6.801 1.00 0.00 H new ATOM 1499 N SER A 108 -1.363 7.151 11.005 1.00 0.00 N ATOM 1500 CA SER A 108 -2.038 6.140 11.801 1.00 0.00 C ATOM 1501 C SER A 108 -1.639 6.279 13.271 1.00 0.00 C ATOM 1502 O SER A 108 -2.175 5.583 14.131 1.00 0.00 O ATOM 1503 CB SER A 108 -1.716 4.734 11.294 1.00 0.00 C ATOM 1504 OG SER A 108 -2.880 3.915 11.213 1.00 0.00 O ATOM 0 H SER A 108 -0.479 6.850 10.594 1.00 0.00 H new ATOM 0 HA SER A 108 -3.113 6.293 11.707 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.251 4.801 10.310 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.990 4.267 11.959 1.00 0.00 H new ATOM 0 HG SER A 108 -3.193 3.701 12.117 1.00 0.00 H new ATOM 1509 N ASP A 109 -0.702 7.183 13.515 1.00 0.00 N ATOM 1510 CA ASP A 109 -0.224 7.421 14.866 1.00 0.00 C ATOM 1511 C ASP A 109 0.823 6.365 15.227 1.00 0.00 C ATOM 1512 O ASP A 109 1.430 5.762 14.345 1.00 0.00 O ATOM 1513 CB ASP A 109 -1.367 7.321 15.879 1.00 0.00 C ATOM 1514 CG ASP A 109 -1.230 8.235 17.099 1.00 0.00 C ATOM 1515 OD1 ASP A 109 -0.467 9.218 16.989 1.00 0.00 O ATOM 1516 OD2 ASP A 109 -1.893 7.928 18.113 1.00 0.00 O ATOM 0 H ASP A 109 -0.261 7.760 12.799 1.00 0.00 H new ATOM 0 HA ASP A 109 0.203 8.423 14.901 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.303 7.554 15.372 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -1.439 6.289 16.223 1.00 0.00 H new ATOM 1520 N THR A 110 1.000 6.174 16.525 1.00 0.00 N ATOM 1521 CA THR A 110 1.961 5.202 17.015 1.00 0.00 C ATOM 1522 C THR A 110 1.601 3.799 16.519 1.00 0.00 C ATOM 1523 O THR A 110 2.479 3.026 16.142 1.00 0.00 O ATOM 1524 CB THR A 110 2.013 5.312 18.540 1.00 0.00 C ATOM 1525 OG1 THR A 110 2.396 6.663 18.777 1.00 0.00 O ATOM 1526 CG2 THR A 110 3.151 4.491 19.148 1.00 0.00 C ATOM 0 H THR A 110 0.493 6.677 17.254 1.00 0.00 H new ATOM 0 HA THR A 110 2.959 5.405 16.627 1.00 0.00 H new ATOM 0 HB THR A 110 1.063 4.982 18.960 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.452 6.823 19.742 1.00 0.00 H new ATOM 0 HG21 THR A 110 3.143 4.604 20.232 1.00 0.00 H new ATOM 0 HG22 THR A 110 3.018 3.440 18.892 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.104 4.843 18.754 1.00 0.00 H new ATOM 1534 N THR A 111 0.308 3.515 16.537 1.00 0.00 N ATOM 1535 CA THR A 111 -0.180 2.219 16.093 1.00 0.00 C ATOM 1536 C THR A 111 -0.747 2.320 14.677 1.00 0.00 C ATOM 1537 O THR A 111 -1.171 3.391 14.248 1.00 0.00 O ATOM 1538 CB THR A 111 -1.197 1.721 17.122 1.00 0.00 C ATOM 1539 OG1 THR A 111 -1.672 2.911 17.745 1.00 0.00 O ATOM 1540 CG2 THR A 111 -0.544 0.938 18.262 1.00 0.00 C ATOM 0 H THR A 111 -0.418 4.159 16.852 1.00 0.00 H new ATOM 0 HA THR A 111 0.628 1.490 16.034 1.00 0.00 H new ATOM 0 HB THR A 111 -1.934 1.090 16.626 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.180 3.440 17.095 1.00 0.00 H new ATOM 0 HG21 THR A 111 -1.311 0.608 18.963 1.00 0.00 H new ATOM 0 HG22 THR A 111 -0.026 0.069 17.856 1.00 0.00 H new ATOM 0 HG23 THR A 111 0.170 1.578 18.780 1.00 0.00 H new ATOM 1548 N LEU A 112 -0.737 1.187 13.989 1.00 0.00 N ATOM 1549 CA LEU A 112 -1.243 1.133 12.627 1.00 0.00 C ATOM 1550 C LEU A 112 -1.857 -0.244 12.371 1.00 0.00 C ATOM 1551 O LEU A 112 -1.168 -1.260 12.453 1.00 0.00 O ATOM 1552 CB LEU A 112 -0.148 1.513 11.631 1.00 0.00 C ATOM 1553 CG LEU A 112 -0.461 1.252 10.157 1.00 0.00 C ATOM 1554 CD1 LEU A 112 -0.185 -0.206 9.788 1.00 0.00 C ATOM 1555 CD2 LEU A 112 -1.894 1.667 9.819 1.00 0.00 C ATOM 0 H LEU A 112 -0.387 0.299 14.349 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.036 1.868 12.486 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.074 2.573 11.752 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.758 0.966 11.892 1.00 0.00 H new ATOM 0 HG LEU A 112 0.204 1.869 9.552 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.416 -0.365 8.735 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.866 -0.434 9.968 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.808 -0.860 10.398 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.091 1.471 8.765 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.592 1.096 10.431 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.022 2.731 10.020 1.00 0.00 H new ATOM 1566 N GLU A 113 -3.146 -0.235 12.066 1.00 0.00 N ATOM 1567 CA GLU A 113 -3.861 -1.471 11.795 1.00 0.00 C ATOM 1568 C GLU A 113 -4.034 -1.667 10.289 1.00 0.00 C ATOM 1569 O GLU A 113 -4.238 -0.703 9.553 1.00 0.00 O ATOM 1570 CB GLU A 113 -5.214 -1.491 12.509 1.00 0.00 C ATOM 1571 CG GLU A 113 -5.971 -2.786 12.213 1.00 0.00 C ATOM 1572 CD GLU A 113 -7.280 -2.497 11.475 1.00 0.00 C ATOM 1573 OE1 GLU A 113 -8.118 -1.780 12.062 1.00 0.00 O ATOM 1574 OE2 GLU A 113 -7.414 -3.001 10.338 1.00 0.00 O ATOM 0 H GLU A 113 -3.715 0.609 12.000 1.00 0.00 H new ATOM 0 HA GLU A 113 -3.270 -2.300 12.183 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.063 -1.391 13.584 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.810 -0.636 12.190 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -5.348 -3.447 11.611 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -6.182 -3.310 13.145 1.00 0.00 H new ATOM 1579 N LEU A 114 -3.944 -2.922 9.872 1.00 0.00 N ATOM 1580 CA LEU A 114 -4.087 -3.257 8.466 1.00 0.00 C ATOM 1581 C LEU A 114 -5.121 -4.375 8.315 1.00 0.00 C ATOM 1582 O LEU A 114 -5.825 -4.707 9.268 1.00 0.00 O ATOM 1583 CB LEU A 114 -2.726 -3.591 7.852 1.00 0.00 C ATOM 1584 CG LEU A 114 -1.668 -2.488 7.927 1.00 0.00 C ATOM 1585 CD1 LEU A 114 -0.258 -3.074 7.850 1.00 0.00 C ATOM 1586 CD2 LEU A 114 -1.907 -1.425 6.852 1.00 0.00 C ATOM 0 H LEU A 114 -3.774 -3.720 10.485 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.460 -2.399 7.907 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.333 -4.478 8.349 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.876 -3.852 6.805 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.758 -1.994 8.894 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.474 -2.269 7.906 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.104 -3.762 8.681 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.138 -3.610 6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.141 -0.653 6.927 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.860 -1.888 5.866 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.890 -0.977 6.996 1.00 0.00 H new ATOM 1597 N SER A 115 -5.179 -4.926 7.112 1.00 0.00 N ATOM 1598 CA SER A 115 -6.114 -6.000 6.823 1.00 0.00 C ATOM 1599 C SER A 115 -5.793 -6.622 5.462 1.00 0.00 C ATOM 1600 O SER A 115 -5.582 -5.908 4.484 1.00 0.00 O ATOM 1601 CB SER A 115 -7.557 -5.494 6.849 1.00 0.00 C ATOM 1602 OG SER A 115 -7.727 -4.405 7.753 1.00 0.00 O ATOM 0 H SER A 115 -4.593 -4.648 6.325 1.00 0.00 H new ATOM 0 HA SER A 115 -6.010 -6.762 7.596 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.849 -5.181 5.847 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.222 -6.309 7.135 1.00 0.00 H new ATOM 0 HG SER A 115 -7.435 -4.675 8.649 1.00 0.00 H new ATOM 1607 N VAL A 116 -5.767 -7.947 5.446 1.00 0.00 N ATOM 1608 CA VAL A 116 -5.476 -8.673 4.221 1.00 0.00 C ATOM 1609 C VAL A 116 -6.464 -9.832 4.073 1.00 0.00 C ATOM 1610 O VAL A 116 -7.497 -9.860 4.741 1.00 0.00 O ATOM 1611 CB VAL A 116 -4.015 -9.129 4.218 1.00 0.00 C ATOM 1612 CG1 VAL A 116 -3.074 -7.954 4.486 1.00 0.00 C ATOM 1613 CG2 VAL A 116 -3.790 -10.253 5.230 1.00 0.00 C ATOM 0 H VAL A 116 -5.942 -8.536 6.260 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.603 -8.025 3.354 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.788 -9.521 3.226 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -2.042 -8.305 4.479 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -3.206 -7.198 3.712 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.302 -7.520 5.459 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.744 -10.559 5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.043 -9.899 6.229 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.422 -11.104 4.975 1.00 0.00 H new ATOM 1623 N MET A 117 -6.112 -10.759 3.195 1.00 0.00 N ATOM 1624 CA MET A 117 -6.956 -11.917 2.952 1.00 0.00 C ATOM 1625 C MET A 117 -6.111 -13.165 2.692 1.00 0.00 C ATOM 1626 O MET A 117 -5.458 -13.274 1.655 1.00 0.00 O ATOM 1627 CB MET A 117 -7.854 -11.650 1.743 1.00 0.00 C ATOM 1628 CG MET A 117 -8.978 -10.674 2.100 1.00 0.00 C ATOM 1629 SD MET A 117 -10.564 -11.410 1.746 1.00 0.00 S ATOM 1630 CE MET A 117 -11.022 -11.958 3.382 1.00 0.00 C ATOM 0 H MET A 117 -5.255 -10.732 2.643 1.00 0.00 H new ATOM 0 HA MET A 117 -7.566 -12.091 3.838 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.259 -11.242 0.926 1.00 0.00 H new ATOM 0 HB3 MET A 117 -8.281 -12.588 1.388 1.00 0.00 H new ATOM 0 HG2 MET A 117 -8.919 -10.409 3.156 1.00 0.00 H new ATOM 0 HG3 MET A 117 -8.862 -9.750 1.533 1.00 0.00 H new ATOM 0 HE1 MET A 117 -11.314 -13.008 3.346 1.00 0.00 H new ATOM 0 HE2 MET A 117 -10.173 -11.840 4.056 1.00 0.00 H new ATOM 0 HE3 MET A 117 -11.859 -11.361 3.745 1.00 0.00 H new ATOM 1638 N PRO A 118 -6.151 -14.101 3.679 1.00 0.00 N ATOM 1639 CA PRO A 118 -5.397 -15.339 3.567 1.00 0.00 C ATOM 1640 C PRO A 118 -6.062 -16.301 2.580 1.00 0.00 C ATOM 1641 O PRO A 118 -7.280 -16.274 2.409 1.00 0.00 O ATOM 1642 CB PRO A 118 -5.334 -15.890 4.983 1.00 0.00 C ATOM 1643 CG PRO A 118 -6.443 -15.190 5.751 1.00 0.00 C ATOM 1644 CD PRO A 118 -6.912 -14.008 4.921 1.00 0.00 C ATOM 0 HA PRO A 118 -4.394 -15.186 3.168 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -5.477 -16.971 4.989 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -4.362 -15.695 5.435 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -7.269 -15.876 5.938 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -6.081 -14.854 6.723 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -7.984 -14.057 4.733 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -6.721 -13.065 5.432 1.00 0.00 H new ATOM 1649 N LYS A 119 -5.234 -17.126 1.958 1.00 0.00 N ATOM 1650 CA LYS A 119 -5.727 -18.093 0.993 1.00 0.00 C ATOM 1651 C LYS A 119 -5.679 -19.492 1.609 1.00 0.00 C ATOM 1652 O LYS A 119 -4.920 -19.736 2.547 1.00 0.00 O ATOM 1653 CB LYS A 119 -4.957 -17.976 -0.324 1.00 0.00 C ATOM 1654 CG LYS A 119 -5.898 -17.625 -1.479 1.00 0.00 C ATOM 1655 CD LYS A 119 -5.131 -17.524 -2.800 1.00 0.00 C ATOM 1656 CE LYS A 119 -4.904 -16.063 -3.192 1.00 0.00 C ATOM 1657 NZ LYS A 119 -4.125 -15.978 -4.447 1.00 0.00 N ATOM 0 H LYS A 119 -4.225 -17.145 2.103 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.769 -17.887 0.747 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.186 -17.211 -0.232 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.449 -18.916 -0.537 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.676 -18.384 -1.563 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -6.398 -16.679 -1.271 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.171 -18.033 -2.707 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.687 -18.033 -3.587 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.863 -15.561 -3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.375 -15.544 -2.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.980 -14.979 -4.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.202 -16.439 -4.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.644 -16.456 -5.211 1.00 0.00 H new