USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 567 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 LYS NZ :NH3+ -143:sc= -0.0502 (180deg=-1.96) USER MOD Single : A 15 THR OG1 : rot -98:sc= -0.634 USER MOD Single : A 19 THR OG1 : rot 73:sc= -2.6! USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 162:sc= -0.0448 (180deg=-0.456) USER MOD Single : A 23 GLN : amide:sc= -3.27! K(o=-3.3!,f=-2) USER MOD Single : A 28 GLN : amide:sc= -17.6! C(o=-18!,f=-14!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -161:sc= -0.0652 (180deg=-0.539) USER MOD Single : A 33 MET CE :methyl -129:sc= -0.0731 (180deg=-0.788) USER MOD Single : A 36 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.18) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -36:sc= -0.604 USER MOD Single : A 90 THR OG1 : rot 111:sc= 0.727 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -89:sc= -1.36 USER MOD Single : A 94 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.64) USER MOD Single : A 96 LYS NZ :NH3+ -151:sc= -0.152 (180deg=-0.862) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -37:sc= 0.109! USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.161 USER MOD Single : A 102 SER OG : rot 180:sc= -0.438 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 107 N PHE A 7 -10.917 -20.170 -4.509 1.00 0.00 N ATOM 108 CA PHE A 7 -10.218 -18.912 -4.286 1.00 0.00 C ATOM 109 C PHE A 7 -10.888 -17.794 -5.072 1.00 0.00 C ATOM 110 O PHE A 7 -11.116 -16.705 -4.546 1.00 0.00 O ATOM 111 CB PHE A 7 -8.748 -19.026 -4.685 1.00 0.00 C ATOM 112 CG PHE A 7 -8.083 -17.679 -4.507 1.00 0.00 C ATOM 113 CD1 PHE A 7 -7.980 -17.116 -3.229 1.00 0.00 C ATOM 114 CD2 PHE A 7 -7.565 -16.995 -5.616 1.00 0.00 C ATOM 115 CE1 PHE A 7 -7.359 -15.872 -3.059 1.00 0.00 C ATOM 116 CE2 PHE A 7 -6.946 -15.752 -5.445 1.00 0.00 C ATOM 117 CZ PHE A 7 -6.843 -15.191 -4.167 1.00 0.00 C ATOM 0 HA PHE A 7 -10.266 -18.679 -3.222 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -8.249 -19.776 -4.072 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.664 -19.353 -5.721 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -8.380 -17.641 -2.374 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.644 -17.428 -6.602 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.279 -15.439 -2.073 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -6.548 -15.225 -6.299 1.00 0.00 H new ATOM 0 HZ PHE A 7 -6.365 -14.232 -4.036 1.00 0.00 H new ATOM 127 N ALA A 8 -11.210 -18.072 -6.328 1.00 0.00 N ATOM 128 CA ALA A 8 -11.864 -17.079 -7.162 1.00 0.00 C ATOM 129 C ALA A 8 -13.171 -16.658 -6.503 1.00 0.00 C ATOM 130 O ALA A 8 -13.557 -15.496 -6.544 1.00 0.00 O ATOM 131 CB ALA A 8 -12.152 -17.656 -8.550 1.00 0.00 C ATOM 0 H ALA A 8 -11.031 -18.966 -6.785 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.208 -16.216 -7.272 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.642 -16.900 -9.164 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.216 -17.955 -9.021 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.804 -18.525 -8.455 1.00 0.00 H new ATOM 137 N ARG A 9 -13.849 -17.617 -5.894 1.00 0.00 N ATOM 138 CA ARG A 9 -15.112 -17.335 -5.223 1.00 0.00 C ATOM 139 C ARG A 9 -14.901 -16.522 -3.947 1.00 0.00 C ATOM 140 O ARG A 9 -15.701 -15.653 -3.631 1.00 0.00 O ATOM 141 CB ARG A 9 -15.817 -18.636 -4.851 1.00 0.00 C ATOM 142 CG ARG A 9 -16.276 -19.372 -6.114 1.00 0.00 C ATOM 143 CD ARG A 9 -16.881 -20.721 -5.721 1.00 0.00 C ATOM 144 NE ARG A 9 -18.061 -20.520 -4.889 1.00 0.00 N ATOM 145 CZ ARG A 9 -18.641 -21.537 -4.261 1.00 0.00 C ATOM 146 NH1 ARG A 9 -18.155 -22.742 -4.383 1.00 0.00 N ATOM 147 NH2 ARG A 9 -19.695 -21.332 -3.519 1.00 0.00 N1+ ATOM 0 H ARG A 9 -13.551 -18.591 -5.849 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.721 -16.758 -5.918 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.143 -19.271 -4.276 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.675 -18.423 -4.214 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -17.012 -18.773 -6.651 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.433 -19.521 -6.789 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -17.149 -21.282 -6.616 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.144 -21.315 -5.181 1.00 0.00 H new ATOM 0 HE ARG A 9 -18.448 -19.582 -4.787 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -17.330 -22.903 -4.961 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -18.600 -23.523 -3.901 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -20.074 -20.390 -3.421 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -20.139 -22.114 -3.037 1.00 0.00 H new ATOM 161 N LEU A 10 -13.851 -16.832 -3.196 1.00 0.00 N ATOM 162 CA LEU A 10 -13.599 -16.133 -1.940 1.00 0.00 C ATOM 163 C LEU A 10 -13.169 -14.693 -2.177 1.00 0.00 C ATOM 164 O LEU A 10 -13.630 -13.779 -1.495 1.00 0.00 O ATOM 165 CB LEU A 10 -12.511 -16.887 -1.166 1.00 0.00 C ATOM 166 CG LEU A 10 -13.125 -17.909 -0.186 1.00 0.00 C ATOM 167 CD1 LEU A 10 -13.992 -18.939 -0.927 1.00 0.00 C ATOM 168 CD2 LEU A 10 -11.995 -18.645 0.533 1.00 0.00 C ATOM 0 H LEU A 10 -13.168 -17.553 -3.430 1.00 0.00 H new ATOM 0 HA LEU A 10 -14.523 -16.106 -1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.854 -17.402 -1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -11.895 -16.176 -0.615 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.754 -17.372 0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -14.411 -19.645 -0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -14.802 -18.427 -1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.380 -19.477 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.418 -19.370 1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.375 -19.163 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.386 -17.928 1.083 1.00 0.00 H new ATOM 180 N VAL A 11 -12.289 -14.497 -3.141 1.00 0.00 N ATOM 181 CA VAL A 11 -11.823 -13.151 -3.434 1.00 0.00 C ATOM 182 C VAL A 11 -12.974 -12.370 -4.031 1.00 0.00 C ATOM 183 O VAL A 11 -13.214 -11.217 -3.671 1.00 0.00 O ATOM 184 CB VAL A 11 -10.632 -13.178 -4.397 1.00 0.00 C ATOM 185 CG1 VAL A 11 -11.091 -13.670 -5.757 1.00 0.00 C ATOM 186 CG2 VAL A 11 -10.041 -11.771 -4.538 1.00 0.00 C ATOM 0 H VAL A 11 -11.889 -15.232 -3.724 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.484 -12.673 -2.515 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.870 -13.849 -4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.243 -13.689 -6.442 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.502 -14.675 -5.661 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.857 -13.000 -6.147 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.195 -11.799 -5.224 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.802 -11.094 -4.927 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.706 -11.418 -3.563 1.00 0.00 H new ATOM 196 N LYS A 12 -13.709 -13.026 -4.919 1.00 0.00 N ATOM 197 CA LYS A 12 -14.865 -12.394 -5.523 1.00 0.00 C ATOM 198 C LYS A 12 -15.890 -12.083 -4.450 1.00 0.00 C ATOM 199 O LYS A 12 -16.537 -11.045 -4.494 1.00 0.00 O ATOM 200 CB LYS A 12 -15.490 -13.290 -6.598 1.00 0.00 C ATOM 201 CG LYS A 12 -14.611 -13.252 -7.851 1.00 0.00 C ATOM 202 CD LYS A 12 -15.068 -14.309 -8.863 1.00 0.00 C ATOM 203 CE LYS A 12 -16.406 -13.905 -9.496 1.00 0.00 C ATOM 204 NZ LYS A 12 -16.739 -14.855 -10.595 1.00 0.00 N1+ ATOM 0 H LYS A 12 -13.527 -13.980 -5.231 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.541 -11.470 -6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -15.579 -14.313 -6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -16.498 -12.948 -6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.658 -12.262 -8.305 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.571 -13.428 -7.578 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.313 -14.428 -9.640 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -15.170 -15.275 -8.368 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -17.194 -13.912 -8.743 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -16.345 -12.888 -9.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -17.193 -14.338 -11.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.868 -15.307 -10.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.389 -15.584 -10.238 1.00 0.00 H new ATOM 218 N GLU A 13 -16.048 -12.991 -3.492 1.00 0.00 N ATOM 219 CA GLU A 13 -17.024 -12.781 -2.426 1.00 0.00 C ATOM 220 C GLU A 13 -16.637 -11.617 -1.513 1.00 0.00 C ATOM 221 O GLU A 13 -17.469 -10.763 -1.206 1.00 0.00 O ATOM 222 CB GLU A 13 -17.159 -14.073 -1.631 1.00 0.00 C ATOM 223 CG GLU A 13 -18.012 -15.080 -2.430 1.00 0.00 C ATOM 224 CD GLU A 13 -19.493 -14.921 -2.091 1.00 0.00 C ATOM 225 OE1 GLU A 13 -19.889 -15.372 -1.030 1.00 0.00 O ATOM 226 OE2 GLU A 13 -20.208 -14.351 -2.900 1.00 0.00 O1- ATOM 0 H GLU A 13 -15.524 -13.864 -3.430 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.982 -12.515 -2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.174 -14.494 -1.430 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.623 -13.872 -0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -17.860 -14.926 -3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.689 -16.097 -2.205 1.00 0.00 H new ATOM 233 N VAL A 14 -15.370 -11.559 -1.108 1.00 0.00 N ATOM 234 CA VAL A 14 -14.914 -10.456 -0.264 1.00 0.00 C ATOM 235 C VAL A 14 -15.068 -9.159 -1.023 1.00 0.00 C ATOM 236 O VAL A 14 -15.552 -8.151 -0.501 1.00 0.00 O ATOM 237 CB VAL A 14 -13.443 -10.654 0.128 1.00 0.00 C ATOM 238 CG1 VAL A 14 -12.882 -9.366 0.747 1.00 0.00 C ATOM 239 CG2 VAL A 14 -13.356 -11.763 1.166 1.00 0.00 C ATOM 0 H VAL A 14 -14.654 -12.246 -1.344 1.00 0.00 H new ATOM 0 HA VAL A 14 -15.514 -10.428 0.645 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.869 -10.910 -0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.838 -9.519 1.021 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.952 -8.554 0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.457 -9.110 1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.315 -11.913 1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.938 -11.485 2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.753 -12.687 0.745 1.00 0.00 H new ATOM 249 N THR A 15 -14.645 -9.197 -2.263 1.00 0.00 N ATOM 250 CA THR A 15 -14.727 -8.032 -3.094 1.00 0.00 C ATOM 251 C THR A 15 -16.170 -7.672 -3.378 1.00 0.00 C ATOM 252 O THR A 15 -16.482 -6.509 -3.524 1.00 0.00 O ATOM 253 CB THR A 15 -14.009 -8.273 -4.403 1.00 0.00 C ATOM 254 OG1 THR A 15 -14.530 -9.440 -5.003 1.00 0.00 O ATOM 255 CG2 THR A 15 -12.504 -8.429 -4.172 1.00 0.00 C ATOM 0 H THR A 15 -14.243 -10.020 -2.713 1.00 0.00 H new ATOM 0 HA THR A 15 -14.254 -7.207 -2.562 1.00 0.00 H new ATOM 0 HB THR A 15 -14.164 -7.418 -5.061 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.944 -10.200 -4.804 1.00 0.00 H new ATOM 0 HG21 THR A 15 -12.005 -8.602 -5.126 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.110 -7.521 -3.716 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.323 -9.276 -3.510 1.00 0.00 H new ATOM 263 N ASP A 16 -17.050 -8.662 -3.458 1.00 0.00 N ATOM 264 CA ASP A 16 -18.451 -8.373 -3.724 1.00 0.00 C ATOM 265 C ASP A 16 -19.015 -7.517 -2.601 1.00 0.00 C ATOM 266 O ASP A 16 -19.825 -6.617 -2.827 1.00 0.00 O ATOM 267 CB ASP A 16 -19.267 -9.661 -3.851 1.00 0.00 C ATOM 268 CG ASP A 16 -18.940 -10.365 -5.163 1.00 0.00 C ATOM 269 OD1 ASP A 16 -18.313 -9.744 -6.006 1.00 0.00 O ATOM 270 OD2 ASP A 16 -19.321 -11.514 -5.307 1.00 0.00 O1- ATOM 0 H ASP A 16 -16.825 -9.650 -3.345 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.517 -7.835 -4.669 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -19.050 -10.322 -3.012 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -20.332 -9.431 -3.809 1.00 0.00 H new ATOM 275 N GLU A 17 -18.567 -7.806 -1.387 1.00 0.00 N ATOM 276 CA GLU A 17 -19.012 -7.069 -0.220 1.00 0.00 C ATOM 277 C GLU A 17 -18.572 -5.627 -0.353 1.00 0.00 C ATOM 278 O GLU A 17 -19.326 -4.703 -0.051 1.00 0.00 O ATOM 279 CB GLU A 17 -18.402 -7.692 1.030 1.00 0.00 C ATOM 280 CG GLU A 17 -18.957 -9.105 1.198 1.00 0.00 C ATOM 281 CD GLU A 17 -20.407 -9.047 1.664 1.00 0.00 C ATOM 282 OE1 GLU A 17 -20.847 -7.972 2.037 1.00 0.00 O ATOM 283 OE2 GLU A 17 -21.057 -10.081 1.644 1.00 0.00 O1- ATOM 0 H GLU A 17 -17.895 -8.547 -1.188 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.098 -7.108 -0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.316 -7.721 0.945 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -18.637 -7.088 1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -18.892 -9.644 0.253 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.356 -9.656 1.921 1.00 0.00 H new ATOM 290 N PHE A 18 -17.355 -5.438 -0.841 1.00 0.00 N ATOM 291 CA PHE A 18 -16.852 -4.095 -1.046 1.00 0.00 C ATOM 292 C PHE A 18 -17.569 -3.495 -2.249 1.00 0.00 C ATOM 293 O PHE A 18 -17.929 -2.319 -2.265 1.00 0.00 O ATOM 294 CB PHE A 18 -15.348 -4.114 -1.319 1.00 0.00 C ATOM 295 CG PHE A 18 -14.584 -4.937 -0.314 1.00 0.00 C ATOM 296 CD1 PHE A 18 -15.134 -5.337 0.923 1.00 0.00 C ATOM 297 CD2 PHE A 18 -13.281 -5.308 -0.646 1.00 0.00 C ATOM 298 CE1 PHE A 18 -14.364 -6.095 1.802 1.00 0.00 C ATOM 299 CE2 PHE A 18 -12.524 -6.061 0.237 1.00 0.00 C ATOM 300 CZ PHE A 18 -13.064 -6.452 1.457 1.00 0.00 C ATOM 0 H PHE A 18 -16.710 -6.185 -1.097 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.032 -3.503 -0.149 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.169 -4.511 -2.318 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -14.968 -3.092 -1.309 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.144 -5.058 1.186 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -12.861 -5.007 -1.594 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -14.776 -6.406 2.751 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -11.515 -6.344 -0.022 1.00 0.00 H new ATOM 0 HZ PHE A 18 -12.470 -7.038 2.143 1.00 0.00 H new ATOM 310 N THR A 19 -17.771 -4.344 -3.253 1.00 0.00 N ATOM 311 CA THR A 19 -18.444 -3.958 -4.479 1.00 0.00 C ATOM 312 C THR A 19 -19.940 -4.027 -4.274 1.00 0.00 C ATOM 313 O THR A 19 -20.711 -3.917 -5.228 1.00 0.00 O ATOM 314 CB THR A 19 -18.045 -4.873 -5.650 1.00 0.00 C ATOM 315 OG1 THR A 19 -16.696 -5.280 -5.499 1.00 0.00 O ATOM 316 CG2 THR A 19 -18.209 -4.113 -6.970 1.00 0.00 C ATOM 0 H THR A 19 -17.471 -5.319 -3.235 1.00 0.00 H new ATOM 0 HA THR A 19 -18.144 -2.939 -4.726 1.00 0.00 H new ATOM 0 HB THR A 19 -18.687 -5.754 -5.657 1.00 0.00 H new ATOM 0 HG1 THR A 19 -16.631 -5.936 -4.773 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.927 -4.760 -7.800 1.00 0.00 H new ATOM 0 HG22 THR A 19 -19.248 -3.806 -7.086 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.569 -3.231 -6.964 1.00 0.00 H new ATOM 324 N THR A 20 -20.348 -4.197 -3.017 1.00 0.00 N ATOM 325 CA THR A 20 -21.769 -4.256 -2.690 1.00 0.00 C ATOM 326 C THR A 20 -22.490 -3.129 -3.425 1.00 0.00 C ATOM 327 O THR A 20 -23.711 -3.141 -3.590 1.00 0.00 O ATOM 328 CB THR A 20 -21.979 -4.127 -1.179 1.00 0.00 C ATOM 329 OG1 THR A 20 -23.371 -4.073 -0.900 1.00 0.00 O ATOM 330 CG2 THR A 20 -21.304 -2.852 -0.670 1.00 0.00 C ATOM 0 H THR A 20 -19.722 -4.295 -2.218 1.00 0.00 H new ATOM 0 HA THR A 20 -22.175 -5.218 -3.004 1.00 0.00 H new ATOM 0 HB THR A 20 -21.539 -4.989 -0.678 1.00 0.00 H new ATOM 0 HG1 THR A 20 -23.508 -3.992 0.067 1.00 0.00 H new ATOM 0 HG21 THR A 20 -21.456 -2.764 0.406 1.00 0.00 H new ATOM 0 HG22 THR A 20 -20.236 -2.896 -0.883 1.00 0.00 H new ATOM 0 HG23 THR A 20 -21.738 -1.986 -1.170 1.00 0.00 H new ATOM 338 N LYS A 21 -21.684 -2.190 -3.916 1.00 0.00 N ATOM 339 CA LYS A 21 -22.161 -1.074 -4.699 1.00 0.00 C ATOM 340 C LYS A 21 -22.623 -1.585 -6.059 1.00 0.00 C ATOM 341 O LYS A 21 -22.684 -0.830 -7.027 1.00 0.00 O ATOM 342 CB LYS A 21 -21.020 -0.087 -4.907 1.00 0.00 C ATOM 343 CG LYS A 21 -20.660 0.560 -3.577 1.00 0.00 C ATOM 344 CD LYS A 21 -19.483 1.509 -3.787 1.00 0.00 C ATOM 345 CE LYS A 21 -19.162 2.223 -2.474 1.00 0.00 C ATOM 346 NZ LYS A 21 -18.746 1.220 -1.452 1.00 0.00 N1+ ATOM 0 H LYS A 21 -20.674 -2.191 -3.775 1.00 0.00 H new ATOM 0 HA LYS A 21 -22.987 -0.585 -4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.152 -0.600 -5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.312 0.677 -5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -21.516 1.105 -3.180 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -20.401 -0.205 -2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -18.612 0.953 -4.133 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -19.724 2.238 -4.560 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.366 2.952 -2.629 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -20.035 2.774 -2.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.245 1.701 -0.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -19.588 0.740 -1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.115 0.519 -1.890 1.00 0.00 H new ATOM 360 N ASP A 22 -22.937 -2.879 -6.128 1.00 0.00 N ATOM 361 CA ASP A 22 -23.386 -3.482 -7.372 1.00 0.00 C ATOM 362 C ASP A 22 -24.776 -2.975 -7.708 1.00 0.00 C ATOM 363 O ASP A 22 -25.636 -3.723 -8.171 1.00 0.00 O ATOM 364 CB ASP A 22 -23.411 -5.004 -7.247 1.00 0.00 C ATOM 365 CG ASP A 22 -21.989 -5.550 -7.197 1.00 0.00 C ATOM 366 OD1 ASP A 22 -21.078 -4.805 -7.517 1.00 0.00 O ATOM 367 OD2 ASP A 22 -21.831 -6.706 -6.839 1.00 0.00 O1- ATOM 0 H ASP A 22 -22.887 -3.523 -5.338 1.00 0.00 H new ATOM 0 HA ASP A 22 -22.693 -3.207 -8.168 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -23.952 -5.294 -6.346 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -23.945 -5.437 -8.092 1.00 0.00 H new ATOM 372 N GLN A 23 -24.981 -1.693 -7.457 1.00 0.00 N ATOM 373 CA GLN A 23 -26.256 -1.063 -7.713 1.00 0.00 C ATOM 374 C GLN A 23 -26.728 -1.375 -9.123 1.00 0.00 C ATOM 375 O GLN A 23 -27.922 -1.341 -9.407 1.00 0.00 O ATOM 376 CB GLN A 23 -26.124 0.457 -7.506 1.00 0.00 C ATOM 377 CG GLN A 23 -24.911 1.026 -8.305 1.00 0.00 C ATOM 378 CD GLN A 23 -23.965 1.819 -7.391 1.00 0.00 C ATOM 379 OE1 GLN A 23 -24.405 2.720 -6.676 1.00 0.00 O ATOM 380 NE2 GLN A 23 -22.683 1.533 -7.374 1.00 0.00 N ATOM 0 H GLN A 23 -24.272 -1.068 -7.073 1.00 0.00 H new ATOM 0 HA GLN A 23 -26.998 -1.454 -7.017 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -27.040 0.952 -7.827 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -25.999 0.674 -6.445 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -24.366 0.207 -8.774 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -25.271 1.671 -9.107 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -22.319 0.787 -7.966 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -22.052 2.057 -6.768 1.00 0.00 H new ATOM 389 N ASP A 24 -25.781 -1.694 -9.995 1.00 0.00 N ATOM 390 CA ASP A 24 -26.101 -2.030 -11.372 1.00 0.00 C ATOM 391 C ASP A 24 -24.846 -2.499 -12.102 1.00 0.00 C ATOM 392 O ASP A 24 -24.899 -2.840 -13.284 1.00 0.00 O ATOM 393 CB ASP A 24 -26.690 -0.795 -12.081 1.00 0.00 C ATOM 394 CG ASP A 24 -28.214 -0.723 -11.927 1.00 0.00 C ATOM 395 OD1 ASP A 24 -28.810 -1.717 -11.546 1.00 0.00 O ATOM 396 OD2 ASP A 24 -28.762 0.334 -12.195 1.00 0.00 O1- ATOM 0 H ASP A 24 -24.786 -1.727 -9.772 1.00 0.00 H new ATOM 0 HA ASP A 24 -26.835 -2.836 -11.382 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -26.240 0.109 -11.670 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -26.433 -0.826 -13.140 1.00 0.00 H new ATOM 401 N LEU A 25 -23.726 -2.506 -11.395 1.00 0.00 N ATOM 402 CA LEU A 25 -22.455 -2.917 -12.002 1.00 0.00 C ATOM 403 C LEU A 25 -22.540 -4.316 -12.589 1.00 0.00 C ATOM 404 O LEU A 25 -23.485 -5.065 -12.344 1.00 0.00 O ATOM 405 CB LEU A 25 -21.312 -2.862 -10.983 1.00 0.00 C ATOM 406 CG LEU A 25 -20.684 -1.462 -10.934 1.00 0.00 C ATOM 407 CD1 LEU A 25 -21.745 -0.434 -10.538 1.00 0.00 C ATOM 408 CD2 LEU A 25 -19.558 -1.446 -9.896 1.00 0.00 C ATOM 0 H LEU A 25 -23.664 -2.237 -10.413 1.00 0.00 H new ATOM 0 HA LEU A 25 -22.250 -2.213 -12.808 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -21.687 -3.131 -9.996 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -20.551 -3.597 -11.245 1.00 0.00 H new ATOM 0 HG LEU A 25 -20.285 -1.213 -11.917 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -21.295 0.558 -10.504 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -22.551 -0.442 -11.271 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -22.145 -0.684 -9.556 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -19.111 -0.453 -9.860 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -19.963 -1.698 -8.916 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.798 -2.176 -10.173 1.00 0.00 H new ATOM 420 N ARG A 26 -21.521 -4.638 -13.377 1.00 0.00 N ATOM 421 CA ARG A 26 -21.430 -5.936 -14.038 1.00 0.00 C ATOM 422 C ARG A 26 -19.999 -6.460 -13.987 1.00 0.00 C ATOM 423 O ARG A 26 -19.044 -5.710 -14.191 1.00 0.00 O ATOM 424 CB ARG A 26 -21.867 -5.807 -15.488 1.00 0.00 C ATOM 425 CG ARG A 26 -22.019 -7.203 -16.088 1.00 0.00 C ATOM 426 CD ARG A 26 -22.539 -7.081 -17.515 1.00 0.00 C ATOM 427 NE ARG A 26 -23.873 -6.492 -17.519 1.00 0.00 N ATOM 428 CZ ARG A 26 -24.485 -6.180 -18.656 1.00 0.00 C ATOM 429 NH1 ARG A 26 -23.892 -6.403 -19.797 1.00 0.00 N ATOM 430 NH2 ARG A 26 -25.678 -5.652 -18.632 1.00 0.00 N1+ ATOM 0 H ARG A 26 -20.740 -4.013 -13.575 1.00 0.00 H new ATOM 0 HA ARG A 26 -22.084 -6.636 -13.519 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -22.811 -5.266 -15.550 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -21.133 -5.232 -16.053 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -21.060 -7.721 -16.081 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -22.707 -7.797 -15.487 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -21.860 -6.465 -18.105 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -22.567 -8.064 -17.984 1.00 0.00 H new ATOM 0 HE ARG A 26 -24.345 -6.316 -16.632 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -22.960 -6.816 -19.815 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -24.361 -6.164 -20.671 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -26.141 -5.479 -17.740 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -26.147 -5.413 -19.505 1.00 0.00 H new ATOM 444 N TRP A 27 -19.851 -7.752 -13.695 1.00 0.00 N ATOM 445 CA TRP A 27 -18.519 -8.367 -13.600 1.00 0.00 C ATOM 446 C TRP A 27 -18.150 -9.168 -14.842 1.00 0.00 C ATOM 447 O TRP A 27 -18.733 -10.212 -15.140 1.00 0.00 O ATOM 448 CB TRP A 27 -18.452 -9.293 -12.387 1.00 0.00 C ATOM 449 CG TRP A 27 -18.339 -8.485 -11.150 1.00 0.00 C ATOM 450 CD1 TRP A 27 -19.168 -7.486 -10.795 1.00 0.00 C ATOM 451 CD2 TRP A 27 -17.346 -8.593 -10.107 1.00 0.00 C ATOM 452 NE1 TRP A 27 -18.766 -6.993 -9.566 1.00 0.00 N ATOM 453 CE2 TRP A 27 -17.641 -7.647 -9.105 1.00 0.00 C ATOM 454 CE3 TRP A 27 -16.235 -9.427 -9.937 1.00 0.00 C ATOM 455 CZ2 TRP A 27 -16.856 -7.534 -7.962 1.00 0.00 C ATOM 456 CZ3 TRP A 27 -15.437 -9.314 -8.795 1.00 0.00 C ATOM 457 CH2 TRP A 27 -15.750 -8.372 -7.807 1.00 0.00 C ATOM 0 H TRP A 27 -20.626 -8.391 -13.521 1.00 0.00 H new ATOM 0 HA TRP A 27 -17.807 -7.547 -13.501 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -19.344 -9.918 -12.345 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -17.597 -9.963 -12.475 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -20.007 -7.129 -11.373 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -19.240 -6.242 -9.065 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -15.993 -10.161 -10.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -17.100 -6.806 -7.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -14.576 -9.955 -8.674 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -15.134 -8.294 -6.923 1.00 0.00 H new ATOM 468 N GLN A 28 -17.154 -8.658 -15.536 1.00 0.00 N ATOM 469 CA GLN A 28 -16.625 -9.267 -16.733 1.00 0.00 C ATOM 470 C GLN A 28 -15.591 -10.314 -16.344 1.00 0.00 C ATOM 471 O GLN A 28 -15.092 -10.307 -15.220 1.00 0.00 O ATOM 472 CB GLN A 28 -15.963 -8.170 -17.564 1.00 0.00 C ATOM 473 CG GLN A 28 -17.009 -7.117 -17.944 1.00 0.00 C ATOM 474 CD GLN A 28 -17.783 -6.650 -16.731 1.00 0.00 C ATOM 475 OE1 GLN A 28 -17.200 -6.267 -15.721 1.00 0.00 O ATOM 476 NE2 GLN A 28 -19.077 -6.682 -16.766 1.00 0.00 N ATOM 0 H GLN A 28 -16.682 -7.792 -15.277 1.00 0.00 H new ATOM 0 HA GLN A 28 -17.417 -9.747 -17.307 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.155 -7.707 -16.998 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.519 -8.598 -18.463 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -16.517 -6.266 -18.414 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -17.697 -7.534 -18.679 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -19.557 -7.001 -17.608 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -19.617 -6.388 -15.952 1.00 0.00 H new ATOM 485 N SER A 29 -15.259 -11.208 -17.260 1.00 0.00 N ATOM 486 CA SER A 29 -14.271 -12.230 -16.955 1.00 0.00 C ATOM 487 C SER A 29 -12.933 -11.572 -16.626 1.00 0.00 C ATOM 488 O SER A 29 -12.100 -12.155 -15.932 1.00 0.00 O ATOM 489 CB SER A 29 -14.104 -13.176 -18.144 1.00 0.00 C ATOM 490 OG SER A 29 -13.593 -12.450 -19.254 1.00 0.00 O ATOM 0 H SER A 29 -15.649 -11.249 -18.202 1.00 0.00 H new ATOM 0 HA SER A 29 -14.612 -12.804 -16.094 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.427 -13.989 -17.884 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.062 -13.629 -18.401 1.00 0.00 H new ATOM 0 HG SER A 29 -13.483 -13.054 -20.018 1.00 0.00 H new ATOM 496 N MET A 30 -12.740 -10.350 -17.117 1.00 0.00 N ATOM 497 CA MET A 30 -11.500 -9.624 -16.852 1.00 0.00 C ATOM 498 C MET A 30 -11.444 -9.260 -15.374 1.00 0.00 C ATOM 499 O MET A 30 -10.396 -9.319 -14.742 1.00 0.00 O ATOM 500 CB MET A 30 -11.412 -8.349 -17.703 1.00 0.00 C ATOM 501 CG MET A 30 -11.450 -8.729 -19.181 1.00 0.00 C ATOM 502 SD MET A 30 -11.198 -7.253 -20.202 1.00 0.00 S ATOM 503 CE MET A 30 -12.807 -6.471 -19.908 1.00 0.00 C ATOM 0 H MET A 30 -13.416 -9.847 -17.693 1.00 0.00 H new ATOM 0 HA MET A 30 -10.657 -10.263 -17.114 1.00 0.00 H new ATOM 0 HB2 MET A 30 -12.240 -7.681 -17.465 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.492 -7.809 -17.477 1.00 0.00 H new ATOM 0 HG2 MET A 30 -10.677 -9.467 -19.396 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.408 -9.190 -19.423 1.00 0.00 H new ATOM 0 HE1 MET A 30 -13.001 -5.734 -20.688 1.00 0.00 H new ATOM 0 HE2 MET A 30 -13.589 -7.230 -19.923 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.799 -5.977 -18.936 1.00 0.00 H new ATOM 513 N ALA A 31 -12.593 -8.911 -14.822 1.00 0.00 N ATOM 514 CA ALA A 31 -12.669 -8.552 -13.412 1.00 0.00 C ATOM 515 C ALA A 31 -12.012 -9.647 -12.581 1.00 0.00 C ATOM 516 O ALA A 31 -11.269 -9.376 -11.644 1.00 0.00 O ATOM 517 CB ALA A 31 -14.132 -8.411 -13.006 1.00 0.00 C ATOM 0 H ALA A 31 -13.481 -8.868 -15.322 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.153 -7.607 -13.243 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.193 -8.142 -11.951 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.603 -7.633 -13.606 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.648 -9.357 -13.170 1.00 0.00 H new ATOM 523 N ILE A 32 -12.281 -10.881 -12.962 1.00 0.00 N ATOM 524 CA ILE A 32 -11.720 -12.038 -12.291 1.00 0.00 C ATOM 525 C ILE A 32 -10.222 -12.123 -12.561 1.00 0.00 C ATOM 526 O ILE A 32 -9.433 -12.458 -11.682 1.00 0.00 O ATOM 527 CB ILE A 32 -12.412 -13.283 -12.814 1.00 0.00 C ATOM 528 CG1 ILE A 32 -13.919 -13.123 -12.581 1.00 0.00 C ATOM 529 CG2 ILE A 32 -11.896 -14.516 -12.068 1.00 0.00 C ATOM 530 CD1 ILE A 32 -14.686 -14.322 -13.144 1.00 0.00 C ATOM 0 H ILE A 32 -12.894 -11.110 -13.745 1.00 0.00 H new ATOM 0 HA ILE A 32 -11.873 -11.952 -11.215 1.00 0.00 H new ATOM 0 HB ILE A 32 -12.207 -13.412 -13.877 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.118 -13.027 -11.514 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -14.270 -12.206 -13.055 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.396 -15.407 -12.448 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.821 -14.611 -12.221 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.103 -14.410 -11.003 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.753 -14.187 -12.967 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -14.503 -14.401 -14.216 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.349 -15.234 -12.651 1.00 0.00 H new ATOM 542 N MET A 33 -9.834 -11.809 -13.790 1.00 0.00 N ATOM 543 CA MET A 33 -8.428 -11.842 -14.153 1.00 0.00 C ATOM 544 C MET A 33 -7.681 -10.840 -13.287 1.00 0.00 C ATOM 545 O MET A 33 -6.562 -11.087 -12.851 1.00 0.00 O ATOM 546 CB MET A 33 -8.248 -11.482 -15.632 1.00 0.00 C ATOM 547 CG MET A 33 -8.826 -12.591 -16.516 1.00 0.00 C ATOM 548 SD MET A 33 -7.869 -14.117 -16.305 1.00 0.00 S ATOM 549 CE MET A 33 -6.357 -13.588 -17.153 1.00 0.00 C ATOM 0 H MET A 33 -10.465 -11.532 -14.542 1.00 0.00 H new ATOM 0 HA MET A 33 -8.034 -12.846 -13.994 1.00 0.00 H new ATOM 0 HB2 MET A 33 -8.746 -10.537 -15.848 1.00 0.00 H new ATOM 0 HB3 MET A 33 -7.190 -11.343 -15.855 1.00 0.00 H new ATOM 0 HG2 MET A 33 -9.870 -12.768 -16.256 1.00 0.00 H new ATOM 0 HG3 MET A 33 -8.806 -12.281 -17.561 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.075 -14.335 -17.895 1.00 0.00 H new ATOM 0 HE2 MET A 33 -6.533 -12.633 -17.649 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.552 -13.477 -16.426 1.00 0.00 H new ATOM 559 N ALA A 34 -8.326 -9.709 -13.036 1.00 0.00 N ATOM 560 CA ALA A 34 -7.740 -8.663 -12.218 1.00 0.00 C ATOM 561 C ALA A 34 -7.433 -9.205 -10.832 1.00 0.00 C ATOM 562 O ALA A 34 -6.400 -8.887 -10.248 1.00 0.00 O ATOM 563 CB ALA A 34 -8.715 -7.473 -12.131 1.00 0.00 C ATOM 0 H ALA A 34 -9.258 -9.495 -13.390 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.808 -8.322 -12.670 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.276 -6.687 -11.517 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.908 -7.087 -13.132 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.652 -7.803 -11.683 1.00 0.00 H new ATOM 569 N LEU A 35 -8.328 -10.029 -10.312 1.00 0.00 N ATOM 570 CA LEU A 35 -8.125 -10.609 -9.006 1.00 0.00 C ATOM 571 C LEU A 35 -6.889 -11.501 -9.031 1.00 0.00 C ATOM 572 O LEU A 35 -6.112 -11.529 -8.076 1.00 0.00 O ATOM 573 CB LEU A 35 -9.376 -11.401 -8.625 1.00 0.00 C ATOM 574 CG LEU A 35 -10.470 -10.483 -7.999 1.00 0.00 C ATOM 575 CD1 LEU A 35 -10.476 -9.053 -8.593 1.00 0.00 C ATOM 576 CD2 LEU A 35 -11.871 -11.122 -8.185 1.00 0.00 C ATOM 0 H LEU A 35 -9.194 -10.306 -10.774 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.961 -9.831 -8.260 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.778 -11.895 -9.510 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.109 -12.185 -7.916 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.229 -10.393 -6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.259 -8.464 -8.116 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.509 -8.582 -8.416 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.664 -9.105 -9.665 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.628 -10.473 -7.744 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.075 -11.248 -9.248 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.896 -12.094 -7.693 1.00 0.00 H new ATOM 588 N GLN A 36 -6.707 -12.217 -10.135 1.00 0.00 N ATOM 589 CA GLN A 36 -5.557 -13.089 -10.272 1.00 0.00 C ATOM 590 C GLN A 36 -4.289 -12.251 -10.344 1.00 0.00 C ATOM 591 O GLN A 36 -3.276 -12.574 -9.721 1.00 0.00 O ATOM 592 CB GLN A 36 -5.711 -13.910 -11.544 1.00 0.00 C ATOM 593 CG GLN A 36 -6.944 -14.791 -11.410 1.00 0.00 C ATOM 594 CD GLN A 36 -6.703 -15.870 -10.363 1.00 0.00 C ATOM 595 OE1 GLN A 36 -5.787 -16.680 -10.500 1.00 0.00 O ATOM 596 NE2 GLN A 36 -7.474 -15.925 -9.317 1.00 0.00 N ATOM 0 H GLN A 36 -7.336 -12.209 -10.938 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.490 -13.756 -9.413 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.808 -13.253 -12.408 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.825 -14.523 -11.708 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.805 -14.185 -11.128 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.179 -15.251 -12.370 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.232 -15.252 -9.207 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.320 -16.641 -8.607 1.00 0.00 H new ATOM 605 N GLU A 37 -4.367 -11.156 -11.095 1.00 0.00 N ATOM 606 CA GLU A 37 -3.244 -10.256 -11.233 1.00 0.00 C ATOM 607 C GLU A 37 -2.907 -9.640 -9.887 1.00 0.00 C ATOM 608 O GLU A 37 -1.746 -9.422 -9.563 1.00 0.00 O ATOM 609 CB GLU A 37 -3.592 -9.135 -12.208 1.00 0.00 C ATOM 610 CG GLU A 37 -3.725 -9.702 -13.621 1.00 0.00 C ATOM 611 CD GLU A 37 -4.038 -8.582 -14.608 1.00 0.00 C ATOM 612 OE1 GLU A 37 -4.261 -7.471 -14.159 1.00 0.00 O ATOM 613 OE2 GLU A 37 -4.049 -8.853 -15.797 1.00 0.00 O1- ATOM 0 H GLU A 37 -5.199 -10.877 -11.614 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.390 -10.821 -11.607 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.525 -8.657 -11.909 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.818 -8.367 -12.185 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.801 -10.203 -13.909 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.516 -10.452 -13.647 1.00 0.00 H new ATOM 620 N ALA A 38 -3.948 -9.324 -9.126 1.00 0.00 N ATOM 621 CA ALA A 38 -3.772 -8.685 -7.826 1.00 0.00 C ATOM 622 C ALA A 38 -2.995 -9.544 -6.838 1.00 0.00 C ATOM 623 O ALA A 38 -2.063 -9.064 -6.194 1.00 0.00 O ATOM 624 CB ALA A 38 -5.141 -8.373 -7.234 1.00 0.00 C ATOM 0 H ALA A 38 -4.919 -9.499 -9.384 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.193 -7.777 -7.993 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.017 -7.895 -6.262 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.682 -7.702 -7.902 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.705 -9.298 -7.114 1.00 0.00 H new ATOM 630 N SER A 39 -3.389 -10.800 -6.696 1.00 0.00 N ATOM 631 CA SER A 39 -2.712 -11.673 -5.748 1.00 0.00 C ATOM 632 C SER A 39 -1.272 -11.945 -6.161 1.00 0.00 C ATOM 633 O SER A 39 -0.348 -11.837 -5.350 1.00 0.00 O ATOM 634 CB SER A 39 -3.471 -12.994 -5.618 1.00 0.00 C ATOM 635 OG SER A 39 -2.789 -13.836 -4.698 1.00 0.00 O ATOM 0 H SER A 39 -4.156 -11.231 -7.212 1.00 0.00 H new ATOM 0 HA SER A 39 -2.694 -11.164 -4.785 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.489 -12.810 -5.275 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.545 -13.482 -6.590 1.00 0.00 H new ATOM 0 HG SER A 39 -3.273 -14.684 -4.610 1.00 0.00 H new ATOM 641 N GLU A 40 -1.086 -12.312 -7.422 1.00 0.00 N ATOM 642 CA GLU A 40 0.247 -12.615 -7.924 1.00 0.00 C ATOM 643 C GLU A 40 1.115 -11.361 -7.970 1.00 0.00 C ATOM 644 O GLU A 40 2.333 -11.444 -7.836 1.00 0.00 O ATOM 645 CB GLU A 40 0.143 -13.238 -9.322 1.00 0.00 C ATOM 646 CG GLU A 40 -0.270 -12.178 -10.339 1.00 0.00 C ATOM 647 CD GLU A 40 -0.614 -12.845 -11.668 1.00 0.00 C ATOM 648 OE1 GLU A 40 -0.704 -14.062 -11.691 1.00 0.00 O ATOM 649 OE2 GLU A 40 -0.773 -12.132 -12.645 1.00 0.00 O1- ATOM 0 H GLU A 40 -1.833 -12.406 -8.110 1.00 0.00 H new ATOM 0 HA GLU A 40 0.719 -13.325 -7.245 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.101 -13.673 -9.607 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.585 -14.049 -9.314 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.130 -11.620 -9.968 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.539 -11.461 -10.480 1.00 0.00 H new ATOM 656 N ALA A 41 0.476 -10.207 -8.165 1.00 0.00 N ATOM 657 CA ALA A 41 1.196 -8.937 -8.240 1.00 0.00 C ATOM 658 C ALA A 41 1.740 -8.526 -6.884 1.00 0.00 C ATOM 659 O ALA A 41 2.866 -8.037 -6.766 1.00 0.00 O ATOM 660 CB ALA A 41 0.275 -7.834 -8.767 1.00 0.00 C ATOM 0 H ALA A 41 -0.535 -10.126 -8.273 1.00 0.00 H new ATOM 0 HA ALA A 41 2.034 -9.077 -8.923 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.825 -6.894 -8.817 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.080 -8.101 -9.763 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.577 -7.720 -8.097 1.00 0.00 H new ATOM 1214 N ALA A 75 -5.789 -7.840 5.029 1.00 0.00 N ATOM 1215 CA ALA A 75 -6.263 -6.499 5.312 1.00 0.00 C ATOM 1216 C ALA A 75 -5.656 -5.474 4.364 1.00 0.00 C ATOM 1217 O ALA A 75 -6.258 -4.431 4.107 1.00 0.00 O ATOM 1218 CB ALA A 75 -5.961 -6.106 6.753 1.00 0.00 C ATOM 0 HA ALA A 75 -7.343 -6.507 5.163 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.327 -5.096 6.939 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.455 -6.802 7.431 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.885 -6.139 6.921 1.00 0.00 H new ATOM 1224 N VAL A 76 -4.463 -5.754 3.842 1.00 0.00 N ATOM 1225 CA VAL A 76 -3.826 -4.821 2.929 1.00 0.00 C ATOM 1226 C VAL A 76 -4.415 -5.032 1.548 1.00 0.00 C ATOM 1227 O VAL A 76 -4.601 -4.083 0.786 1.00 0.00 O ATOM 1228 CB VAL A 76 -2.285 -4.991 2.950 1.00 0.00 C ATOM 1229 CG1 VAL A 76 -1.800 -5.974 1.874 1.00 0.00 C ATOM 1230 CG2 VAL A 76 -1.619 -3.629 2.730 1.00 0.00 C ATOM 0 H VAL A 76 -3.931 -6.603 4.033 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.018 -3.794 3.239 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.009 -5.398 3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.715 -6.063 1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.252 -6.951 2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.088 -5.607 0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.536 -3.747 2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.927 -3.225 1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.920 -2.944 3.523 1.00 0.00 H new ATOM 1240 N LEU A 77 -4.768 -6.281 1.252 1.00 0.00 N ATOM 1241 CA LEU A 77 -5.406 -6.568 -0.022 1.00 0.00 C ATOM 1242 C LEU A 77 -6.773 -5.940 -0.009 1.00 0.00 C ATOM 1243 O LEU A 77 -7.242 -5.402 -1.005 1.00 0.00 O ATOM 1244 CB LEU A 77 -5.539 -8.064 -0.286 1.00 0.00 C ATOM 1245 CG LEU A 77 -4.173 -8.680 -0.627 1.00 0.00 C ATOM 1246 CD1 LEU A 77 -4.345 -10.192 -0.762 1.00 0.00 C ATOM 1247 CD2 LEU A 77 -3.638 -8.106 -1.960 1.00 0.00 C ATOM 0 H LEU A 77 -4.627 -7.087 1.860 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.784 -6.159 -0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.957 -8.557 0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.235 -8.233 -1.108 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.461 -8.444 0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.385 -10.647 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.714 -10.602 0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.059 -10.407 -1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.670 -8.553 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.340 -8.335 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.527 -7.025 -1.872 1.00 0.00 H new ATOM 1259 N LYS A 78 -7.393 -6.002 1.154 1.00 0.00 N ATOM 1260 CA LYS A 78 -8.686 -5.426 1.352 1.00 0.00 C ATOM 1261 C LYS A 78 -8.624 -3.945 1.044 1.00 0.00 C ATOM 1262 O LYS A 78 -9.480 -3.407 0.355 1.00 0.00 O ATOM 1263 CB LYS A 78 -9.090 -5.672 2.797 1.00 0.00 C ATOM 1264 CG LYS A 78 -10.340 -4.900 3.127 1.00 0.00 C ATOM 1265 CD LYS A 78 -10.895 -5.376 4.465 1.00 0.00 C ATOM 1266 CE LYS A 78 -12.102 -4.524 4.824 1.00 0.00 C ATOM 1267 NZ LYS A 78 -12.676 -4.988 6.118 1.00 0.00 N1+ ATOM 0 H LYS A 78 -7.005 -6.456 1.981 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.426 -5.876 0.690 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.258 -6.737 2.959 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.282 -5.372 3.464 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.120 -3.833 3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.084 -5.040 2.343 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.179 -6.427 4.404 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.133 -5.297 5.240 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.811 -3.476 4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.853 -4.590 4.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.501 -4.404 6.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.969 -5.982 6.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.959 -4.903 6.866 1.00 0.00 H new ATOM 1281 N SER A 79 -7.578 -3.302 1.528 1.00 0.00 N ATOM 1282 CA SER A 79 -7.391 -1.891 1.259 1.00 0.00 C ATOM 1283 C SER A 79 -7.269 -1.672 -0.241 1.00 0.00 C ATOM 1284 O SER A 79 -7.889 -0.770 -0.803 1.00 0.00 O ATOM 1285 CB SER A 79 -6.140 -1.395 1.974 1.00 0.00 C ATOM 1286 OG SER A 79 -5.868 -0.057 1.582 1.00 0.00 O ATOM 0 H SER A 79 -6.852 -3.730 2.103 1.00 0.00 H new ATOM 0 HA SER A 79 -8.250 -1.330 1.628 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.281 -1.447 3.054 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.292 -2.035 1.732 1.00 0.00 H new ATOM 0 HG SER A 79 -5.064 0.262 2.043 1.00 0.00 H new ATOM 1292 N PHE A 80 -6.484 -2.526 -0.887 1.00 0.00 N ATOM 1293 CA PHE A 80 -6.305 -2.440 -2.322 1.00 0.00 C ATOM 1294 C PHE A 80 -7.641 -2.643 -3.036 1.00 0.00 C ATOM 1295 O PHE A 80 -8.028 -1.834 -3.869 1.00 0.00 O ATOM 1296 CB PHE A 80 -5.285 -3.500 -2.772 1.00 0.00 C ATOM 1297 CG PHE A 80 -5.416 -3.737 -4.257 1.00 0.00 C ATOM 1298 CD1 PHE A 80 -5.070 -2.728 -5.155 1.00 0.00 C ATOM 1299 CD2 PHE A 80 -5.921 -4.958 -4.729 1.00 0.00 C ATOM 1300 CE1 PHE A 80 -5.225 -2.931 -6.528 1.00 0.00 C ATOM 1301 CE2 PHE A 80 -6.073 -5.164 -6.100 1.00 0.00 C ATOM 1302 CZ PHE A 80 -5.728 -4.151 -7.004 1.00 0.00 C ATOM 0 H PHE A 80 -5.966 -3.281 -0.438 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.929 -1.450 -2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.274 -3.169 -2.535 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.451 -4.431 -2.230 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.682 -1.789 -4.789 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.192 -5.737 -4.032 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.958 -2.149 -7.223 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.457 -6.105 -6.465 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.849 -4.309 -8.066 1.00 0.00 H new ATOM 1312 N LEU A 81 -8.339 -3.728 -2.714 1.00 0.00 N ATOM 1313 CA LEU A 81 -9.616 -3.999 -3.360 1.00 0.00 C ATOM 1314 C LEU A 81 -10.601 -2.867 -3.086 1.00 0.00 C ATOM 1315 O LEU A 81 -11.272 -2.389 -3.990 1.00 0.00 O ATOM 1316 CB LEU A 81 -10.226 -5.294 -2.826 1.00 0.00 C ATOM 1317 CG LEU A 81 -9.377 -6.511 -3.244 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.917 -7.787 -2.548 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.392 -6.679 -4.785 1.00 0.00 C ATOM 0 H LEU A 81 -8.049 -4.421 -2.024 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.431 -4.088 -4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.294 -5.248 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.242 -5.406 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.345 -6.350 -2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.315 -8.646 -2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.862 -7.662 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.954 -7.951 -2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.788 -7.543 -5.063 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.417 -6.829 -5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.982 -5.784 -5.253 1.00 0.00 H new ATOM 1331 N GLU A 82 -10.675 -2.439 -1.828 1.00 0.00 N ATOM 1332 CA GLU A 82 -11.584 -1.365 -1.444 1.00 0.00 C ATOM 1333 C GLU A 82 -11.279 -0.095 -2.215 1.00 0.00 C ATOM 1334 O GLU A 82 -12.175 0.534 -2.779 1.00 0.00 O ATOM 1335 CB GLU A 82 -11.419 -1.106 0.048 1.00 0.00 C ATOM 1336 CG GLU A 82 -12.021 -2.271 0.840 1.00 0.00 C ATOM 1337 CD GLU A 82 -13.537 -2.121 0.939 1.00 0.00 C ATOM 1338 OE1 GLU A 82 -14.053 -1.146 0.417 1.00 0.00 O ATOM 1339 OE2 GLU A 82 -14.158 -2.982 1.539 1.00 0.00 O1- ATOM 0 H GLU A 82 -10.119 -2.818 -1.061 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.608 -1.662 -1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.363 -0.993 0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.912 -0.173 0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.774 -3.215 0.355 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.586 -2.303 1.839 1.00 0.00 H new ATOM 1346 N SER A 83 -10.011 0.262 -2.259 1.00 0.00 N ATOM 1347 CA SER A 83 -9.596 1.446 -2.996 1.00 0.00 C ATOM 1348 C SER A 83 -9.898 1.258 -4.467 1.00 0.00 C ATOM 1349 O SER A 83 -10.324 2.183 -5.153 1.00 0.00 O ATOM 1350 CB SER A 83 -8.103 1.695 -2.822 1.00 0.00 C ATOM 1351 OG SER A 83 -7.732 2.860 -3.547 1.00 0.00 O ATOM 0 H SER A 83 -9.254 -0.243 -1.799 1.00 0.00 H new ATOM 0 HA SER A 83 -10.144 2.304 -2.607 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.864 1.819 -1.766 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.536 0.835 -3.178 1.00 0.00 H new ATOM 0 HG SER A 83 -6.772 3.023 -3.435 1.00 0.00 H new ATOM 1357 N VAL A 84 -9.658 0.049 -4.946 1.00 0.00 N ATOM 1358 CA VAL A 84 -9.889 -0.261 -6.341 1.00 0.00 C ATOM 1359 C VAL A 84 -11.352 -0.043 -6.693 1.00 0.00 C ATOM 1360 O VAL A 84 -11.667 0.466 -7.759 1.00 0.00 O ATOM 1361 CB VAL A 84 -9.500 -1.712 -6.642 1.00 0.00 C ATOM 1362 CG1 VAL A 84 -9.968 -2.099 -8.051 1.00 0.00 C ATOM 1363 CG2 VAL A 84 -7.966 -1.891 -6.525 1.00 0.00 C ATOM 0 H VAL A 84 -9.305 -0.729 -4.389 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.271 0.403 -6.945 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.985 -2.363 -5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.687 -3.132 -8.257 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.051 -1.998 -8.115 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -9.498 -1.443 -8.784 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.703 -2.926 -6.741 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -7.468 -1.234 -7.237 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -7.646 -1.639 -5.514 1.00 0.00 H new ATOM 1373 N ILE A 85 -12.239 -0.444 -5.791 1.00 0.00 N ATOM 1374 CA ILE A 85 -13.667 -0.292 -6.021 1.00 0.00 C ATOM 1375 C ILE A 85 -13.994 1.182 -6.075 1.00 0.00 C ATOM 1376 O ILE A 85 -14.772 1.634 -6.913 1.00 0.00 O ATOM 1377 CB ILE A 85 -14.460 -0.941 -4.883 1.00 0.00 C ATOM 1378 CG1 ILE A 85 -13.926 -2.395 -4.642 1.00 0.00 C ATOM 1379 CG2 ILE A 85 -15.969 -0.916 -5.230 1.00 0.00 C ATOM 1380 CD1 ILE A 85 -14.996 -3.461 -4.835 1.00 0.00 C ATOM 0 H ILE A 85 -11.995 -0.874 -4.899 1.00 0.00 H new ATOM 0 HA ILE A 85 -13.935 -0.777 -6.959 1.00 0.00 H new ATOM 0 HB ILE A 85 -14.328 -0.385 -3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -13.099 -2.590 -5.325 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -13.528 -2.467 -3.630 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -16.536 -1.377 -4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -16.296 0.116 -5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -16.139 -1.469 -6.154 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -14.565 -4.446 -4.654 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -15.813 -3.288 -4.134 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -15.377 -3.413 -5.855 1.00 0.00 H new ATOM 1392 N ARG A 86 -13.373 1.932 -5.176 1.00 0.00 N ATOM 1393 CA ARG A 86 -13.586 3.359 -5.136 1.00 0.00 C ATOM 1394 C ARG A 86 -13.105 3.977 -6.436 1.00 0.00 C ATOM 1395 O ARG A 86 -13.727 4.891 -6.971 1.00 0.00 O ATOM 1396 CB ARG A 86 -12.817 3.949 -3.946 1.00 0.00 C ATOM 1397 CG ARG A 86 -13.537 3.601 -2.621 1.00 0.00 C ATOM 1398 CD ARG A 86 -14.513 4.719 -2.219 1.00 0.00 C ATOM 1399 NE ARG A 86 -15.615 4.805 -3.172 1.00 0.00 N ATOM 1400 CZ ARG A 86 -16.351 5.907 -3.270 1.00 0.00 C ATOM 1401 NH1 ARG A 86 -16.089 6.935 -2.513 1.00 0.00 N ATOM 1402 NH2 ARG A 86 -17.338 5.959 -4.124 1.00 0.00 N1+ ATOM 0 H ARG A 86 -12.725 1.575 -4.474 1.00 0.00 H new ATOM 0 HA ARG A 86 -14.648 3.576 -5.016 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.800 3.557 -3.930 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.740 5.031 -4.054 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.079 2.662 -2.732 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.801 3.453 -1.830 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.903 4.527 -1.220 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.986 5.672 -2.177 1.00 0.00 H new ATOM 0 HE ARG A 86 -15.823 4.007 -3.772 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -15.319 6.894 -1.845 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -16.654 7.781 -2.588 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -17.544 5.154 -4.715 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -17.903 6.805 -4.199 1.00 0.00 H new ATOM 1416 N ASP A 87 -11.990 3.465 -6.936 1.00 0.00 N ATOM 1417 CA ASP A 87 -11.410 3.963 -8.170 1.00 0.00 C ATOM 1418 C ASP A 87 -12.107 3.400 -9.401 1.00 0.00 C ATOM 1419 O ASP A 87 -12.046 3.975 -10.481 1.00 0.00 O ATOM 1420 CB ASP A 87 -9.937 3.576 -8.213 1.00 0.00 C ATOM 1421 CG ASP A 87 -9.142 4.406 -7.208 1.00 0.00 C ATOM 1422 OD1 ASP A 87 -9.685 5.381 -6.713 1.00 0.00 O ATOM 1423 OD2 ASP A 87 -8.004 4.053 -6.950 1.00 0.00 O1- ATOM 0 H ASP A 87 -11.469 2.703 -6.503 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.533 5.046 -8.185 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.826 2.515 -7.988 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.542 3.732 -9.217 1.00 0.00 H new ATOM 1428 N SER A 88 -12.748 2.266 -9.229 1.00 0.00 N ATOM 1429 CA SER A 88 -13.430 1.599 -10.342 1.00 0.00 C ATOM 1430 C SER A 88 -14.810 2.172 -10.527 1.00 0.00 C ATOM 1431 O SER A 88 -15.255 2.411 -11.646 1.00 0.00 O ATOM 1432 CB SER A 88 -13.549 0.096 -10.091 1.00 0.00 C ATOM 1433 OG SER A 88 -14.521 -0.131 -9.081 1.00 0.00 O ATOM 0 H SER A 88 -12.818 1.778 -8.336 1.00 0.00 H new ATOM 0 HA SER A 88 -12.836 1.765 -11.241 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.834 -0.417 -11.009 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.586 -0.311 -9.784 1.00 0.00 H new ATOM 0 HG SER A 88 -14.476 0.588 -8.416 1.00 0.00 H new ATOM 1439 N VAL A 89 -15.472 2.420 -9.418 1.00 0.00 N ATOM 1440 CA VAL A 89 -16.783 3.001 -9.461 1.00 0.00 C ATOM 1441 C VAL A 89 -16.619 4.411 -9.977 1.00 0.00 C ATOM 1442 O VAL A 89 -17.425 4.906 -10.747 1.00 0.00 O ATOM 1443 CB VAL A 89 -17.421 2.983 -8.068 1.00 0.00 C ATOM 1444 CG1 VAL A 89 -18.757 3.714 -8.115 1.00 0.00 C ATOM 1445 CG2 VAL A 89 -17.653 1.533 -7.633 1.00 0.00 C ATOM 0 H VAL A 89 -15.119 2.227 -8.481 1.00 0.00 H new ATOM 0 HA VAL A 89 -17.446 2.435 -10.115 1.00 0.00 H new ATOM 0 HB VAL A 89 -16.758 3.476 -7.357 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -19.213 3.703 -7.125 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -18.597 4.745 -8.429 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -19.419 3.218 -8.825 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -18.107 1.519 -6.642 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -18.318 1.042 -8.344 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -16.700 1.005 -7.603 1.00 0.00 H new ATOM 1455 N THR A 90 -15.534 5.037 -9.546 1.00 0.00 N ATOM 1456 CA THR A 90 -15.217 6.389 -9.955 1.00 0.00 C ATOM 1457 C THR A 90 -14.987 6.494 -11.462 1.00 0.00 C ATOM 1458 O THR A 90 -15.572 7.350 -12.119 1.00 0.00 O ATOM 1459 CB THR A 90 -13.973 6.849 -9.198 1.00 0.00 C ATOM 1460 OG1 THR A 90 -14.284 6.972 -7.818 1.00 0.00 O ATOM 1461 CG2 THR A 90 -13.482 8.193 -9.740 1.00 0.00 C ATOM 0 H THR A 90 -14.855 4.622 -8.907 1.00 0.00 H new ATOM 0 HA THR A 90 -16.066 7.031 -9.718 1.00 0.00 H new ATOM 0 HB THR A 90 -13.182 6.112 -9.333 1.00 0.00 H new ATOM 0 HG1 THR A 90 -13.818 6.273 -7.314 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.595 8.505 -9.189 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.235 8.091 -10.797 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.265 8.941 -9.621 1.00 0.00 H new ATOM 1469 N TYR A 91 -14.145 5.618 -12.007 1.00 0.00 N ATOM 1470 CA TYR A 91 -13.873 5.641 -13.439 1.00 0.00 C ATOM 1471 C TYR A 91 -15.092 5.164 -14.201 1.00 0.00 C ATOM 1472 O TYR A 91 -15.404 5.679 -15.274 1.00 0.00 O ATOM 1473 CB TYR A 91 -12.653 4.764 -13.797 1.00 0.00 C ATOM 1474 CG TYR A 91 -11.357 5.551 -13.638 1.00 0.00 C ATOM 1475 CD1 TYR A 91 -11.146 6.712 -14.402 1.00 0.00 C ATOM 1476 CD2 TYR A 91 -10.366 5.126 -12.735 1.00 0.00 C ATOM 1477 CE1 TYR A 91 -9.958 7.439 -14.261 1.00 0.00 C ATOM 1478 CE2 TYR A 91 -9.180 5.859 -12.599 1.00 0.00 C ATOM 1479 CZ TYR A 91 -8.977 7.013 -13.361 1.00 0.00 C ATOM 1480 OH TYR A 91 -7.808 7.733 -13.224 1.00 0.00 O ATOM 0 H TYR A 91 -13.647 4.895 -11.487 1.00 0.00 H new ATOM 0 HA TYR A 91 -13.643 6.668 -13.722 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -12.631 3.884 -13.154 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -12.744 4.407 -14.823 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.902 7.044 -15.099 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.519 4.234 -12.146 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.799 8.331 -14.849 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -8.421 5.532 -11.904 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.234 7.301 -12.557 1.00 0.00 H new ATOM 1490 N THR A 92 -15.791 4.188 -13.644 1.00 0.00 N ATOM 1491 CA THR A 92 -16.978 3.701 -14.316 1.00 0.00 C ATOM 1492 C THR A 92 -18.017 4.796 -14.283 1.00 0.00 C ATOM 1493 O THR A 92 -18.594 5.153 -15.303 1.00 0.00 O ATOM 1494 CB THR A 92 -17.521 2.450 -13.631 1.00 0.00 C ATOM 1495 OG1 THR A 92 -17.639 2.705 -12.256 1.00 0.00 O ATOM 1496 CG2 THR A 92 -16.598 1.254 -13.871 1.00 0.00 C ATOM 0 H THR A 92 -15.566 3.733 -12.759 1.00 0.00 H new ATOM 0 HA THR A 92 -16.731 3.435 -15.344 1.00 0.00 H new ATOM 0 HB THR A 92 -18.498 2.205 -14.048 1.00 0.00 H new ATOM 0 HG1 THR A 92 -16.798 2.476 -11.807 1.00 0.00 H new ATOM 0 HG21 THR A 92 -17.006 0.374 -13.373 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.521 1.063 -14.941 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.608 1.472 -13.470 1.00 0.00 H new ATOM 1504 N GLU A 93 -18.204 5.368 -13.107 1.00 0.00 N ATOM 1505 CA GLU A 93 -19.138 6.466 -12.970 1.00 0.00 C ATOM 1506 C GLU A 93 -18.691 7.626 -13.843 1.00 0.00 C ATOM 1507 O GLU A 93 -19.514 8.344 -14.409 1.00 0.00 O ATOM 1508 CB GLU A 93 -19.238 6.913 -11.521 1.00 0.00 C ATOM 1509 CG GLU A 93 -20.035 5.881 -10.721 1.00 0.00 C ATOM 1510 CD GLU A 93 -21.517 5.994 -11.059 1.00 0.00 C ATOM 1511 OE1 GLU A 93 -21.886 6.951 -11.719 1.00 0.00 O ATOM 1512 OE2 GLU A 93 -22.265 5.119 -10.653 1.00 0.00 O1- ATOM 0 H GLU A 93 -17.729 5.095 -12.247 1.00 0.00 H new ATOM 0 HA GLU A 93 -20.123 6.128 -13.291 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -18.241 7.027 -11.095 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -19.723 7.887 -11.463 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -19.677 4.877 -10.948 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.883 6.040 -9.653 1.00 0.00 H new ATOM 1519 N HIS A 94 -17.374 7.795 -13.961 1.00 0.00 N ATOM 1520 CA HIS A 94 -16.842 8.868 -14.791 1.00 0.00 C ATOM 1521 C HIS A 94 -17.338 8.671 -16.202 1.00 0.00 C ATOM 1522 O HIS A 94 -17.707 9.617 -16.898 1.00 0.00 O ATOM 1523 CB HIS A 94 -15.311 8.860 -14.779 1.00 0.00 C ATOM 1524 CG HIS A 94 -14.797 10.078 -15.495 1.00 0.00 C ATOM 1525 ND1 HIS A 94 -14.664 10.121 -16.874 1.00 0.00 N ATOM 1526 CD2 HIS A 94 -14.379 11.303 -15.040 1.00 0.00 C ATOM 1527 CE1 HIS A 94 -14.183 11.335 -17.199 1.00 0.00 C ATOM 1528 NE2 HIS A 94 -13.991 12.096 -16.116 1.00 0.00 N ATOM 0 H HIS A 94 -16.672 7.215 -13.502 1.00 0.00 H new ATOM 0 HA HIS A 94 -17.179 9.827 -14.397 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -14.945 8.847 -13.752 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -14.938 7.957 -15.262 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -14.355 11.606 -14.004 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -13.977 11.655 -18.210 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -13.636 13.052 -16.085 1.00 0.00 H new ATOM 1536 N ALA A 95 -17.370 7.412 -16.590 1.00 0.00 N ATOM 1537 CA ALA A 95 -17.855 7.018 -17.904 1.00 0.00 C ATOM 1538 C ALA A 95 -19.268 6.483 -17.753 1.00 0.00 C ATOM 1539 O ALA A 95 -19.741 5.710 -18.573 1.00 0.00 O ATOM 1540 CB ALA A 95 -16.948 5.936 -18.494 1.00 0.00 C ATOM 0 H ALA A 95 -17.062 6.633 -16.008 1.00 0.00 H new ATOM 0 HA ALA A 95 -17.850 7.877 -18.576 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -17.319 5.647 -19.478 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -15.933 6.323 -18.588 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -16.945 5.066 -17.837 1.00 0.00 H new ATOM 1546 N LYS A 96 -19.926 6.907 -16.671 1.00 0.00 N ATOM 1547 CA LYS A 96 -21.289 6.484 -16.342 1.00 0.00 C ATOM 1548 C LYS A 96 -21.531 5.043 -16.752 1.00 0.00 C ATOM 1549 O LYS A 96 -22.585 4.691 -17.282 1.00 0.00 O ATOM 1550 CB LYS A 96 -22.373 7.400 -16.932 1.00 0.00 C ATOM 1551 CG LYS A 96 -22.096 7.740 -18.404 1.00 0.00 C ATOM 1552 CD LYS A 96 -22.569 6.604 -19.327 1.00 0.00 C ATOM 1553 CE LYS A 96 -22.601 7.104 -20.771 1.00 0.00 C ATOM 1554 NZ LYS A 96 -23.632 8.171 -20.904 1.00 0.00 N1+ ATOM 0 H LYS A 96 -19.525 7.557 -15.995 1.00 0.00 H new ATOM 0 HA LYS A 96 -21.370 6.564 -15.258 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -23.345 6.913 -16.848 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -22.427 8.320 -16.351 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -22.606 8.666 -18.670 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -21.029 7.911 -18.548 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -21.899 5.748 -19.241 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -23.560 6.265 -19.026 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -21.623 7.491 -21.055 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -22.826 6.280 -21.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -24.008 8.171 -21.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -24.406 7.992 -20.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -23.203 9.096 -20.699 1.00 0.00 H new ATOM 1568 N ARG A 97 -20.545 4.214 -16.460 1.00 0.00 N ATOM 1569 CA ARG A 97 -20.613 2.785 -16.747 1.00 0.00 C ATOM 1570 C ARG A 97 -20.950 2.015 -15.483 1.00 0.00 C ATOM 1571 O ARG A 97 -20.725 2.471 -14.363 1.00 0.00 O ATOM 1572 CB ARG A 97 -19.261 2.244 -17.282 1.00 0.00 C ATOM 1573 CG ARG A 97 -19.089 2.527 -18.782 1.00 0.00 C ATOM 1574 CD ARG A 97 -17.707 2.061 -19.244 1.00 0.00 C ATOM 1575 NE ARG A 97 -17.574 2.266 -20.681 1.00 0.00 N ATOM 1576 CZ ARG A 97 -18.026 1.367 -21.552 1.00 0.00 C ATOM 1577 NH1 ARG A 97 -18.601 0.276 -21.125 1.00 0.00 N ATOM 1578 NH2 ARG A 97 -17.898 1.578 -22.834 1.00 0.00 N1+ ATOM 0 H ARG A 97 -19.674 4.508 -16.018 1.00 0.00 H new ATOM 0 HA ARG A 97 -21.384 2.648 -17.505 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -18.441 2.702 -16.729 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -19.203 1.170 -17.105 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -19.864 2.012 -19.349 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -19.207 3.593 -18.976 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -16.931 2.614 -18.715 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -17.569 1.007 -19.003 1.00 0.00 H new ATOM 0 HE ARG A 97 -17.126 3.115 -21.026 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -18.704 0.112 -20.124 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -18.947 -0.413 -21.793 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -17.451 2.432 -23.168 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -18.244 0.889 -23.501 1.00 0.00 H new ATOM 1592 N LYS A 98 -21.452 0.822 -15.699 1.00 0.00 N ATOM 1593 CA LYS A 98 -21.788 -0.104 -14.637 1.00 0.00 C ATOM 1594 C LYS A 98 -21.117 -1.416 -15.008 1.00 0.00 C ATOM 1595 O LYS A 98 -21.738 -2.313 -15.581 1.00 0.00 O ATOM 1596 CB LYS A 98 -23.305 -0.263 -14.553 1.00 0.00 C ATOM 1597 CG LYS A 98 -23.919 -0.121 -15.949 1.00 0.00 C ATOM 1598 CD LYS A 98 -25.418 -0.293 -15.844 1.00 0.00 C ATOM 1599 CE LYS A 98 -26.053 -0.157 -17.230 1.00 0.00 C ATOM 1600 NZ LYS A 98 -27.528 -0.337 -17.119 1.00 0.00 N1+ ATOM 0 H LYS A 98 -21.643 0.459 -16.633 1.00 0.00 H new ATOM 0 HA LYS A 98 -21.450 0.243 -13.661 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -23.555 -1.237 -14.133 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -23.722 0.489 -13.884 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -23.680 0.856 -16.368 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -23.500 -0.868 -16.623 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -25.653 -1.270 -15.421 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -25.833 0.455 -15.169 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -25.826 0.822 -17.652 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -25.635 -0.901 -17.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -27.961 -0.245 -18.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -27.735 -1.281 -16.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -27.920 0.389 -16.485 1.00 0.00 H new ATOM 1614 N THR A 99 -19.815 -1.471 -14.759 1.00 0.00 N ATOM 1615 CA THR A 99 -19.019 -2.620 -15.154 1.00 0.00 C ATOM 1616 C THR A 99 -17.664 -2.615 -14.443 1.00 0.00 C ATOM 1617 O THR A 99 -17.082 -1.554 -14.219 1.00 0.00 O ATOM 1618 CB THR A 99 -18.789 -2.486 -16.663 1.00 0.00 C ATOM 1619 OG1 THR A 99 -20.038 -2.273 -17.307 1.00 0.00 O ATOM 1620 CG2 THR A 99 -18.147 -3.743 -17.224 1.00 0.00 C ATOM 0 H THR A 99 -19.291 -0.734 -14.287 1.00 0.00 H new ATOM 0 HA THR A 99 -19.531 -3.546 -14.893 1.00 0.00 H new ATOM 0 HB THR A 99 -18.121 -1.643 -16.842 1.00 0.00 H new ATOM 0 HG1 THR A 99 -20.730 -2.808 -16.864 1.00 0.00 H new ATOM 0 HG21 THR A 99 -17.993 -3.625 -18.297 1.00 0.00 H new ATOM 0 HG22 THR A 99 -17.187 -3.910 -16.736 1.00 0.00 H new ATOM 0 HG23 THR A 99 -18.800 -4.597 -17.043 1.00 0.00 H new ATOM 1628 N VAL A 100 -17.142 -3.803 -14.135 1.00 0.00 N ATOM 1629 CA VAL A 100 -15.822 -3.915 -13.502 1.00 0.00 C ATOM 1630 C VAL A 100 -14.881 -4.582 -14.486 1.00 0.00 C ATOM 1631 O VAL A 100 -15.111 -5.718 -14.896 1.00 0.00 O ATOM 1632 CB VAL A 100 -15.892 -4.764 -12.234 1.00 0.00 C ATOM 1633 CG1 VAL A 100 -14.513 -4.813 -11.571 1.00 0.00 C ATOM 1634 CG2 VAL A 100 -16.892 -4.140 -11.263 1.00 0.00 C ATOM 0 H VAL A 100 -17.605 -4.695 -14.310 1.00 0.00 H new ATOM 0 HA VAL A 100 -15.471 -2.919 -13.231 1.00 0.00 H new ATOM 0 HB VAL A 100 -16.208 -5.774 -12.493 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -14.565 -5.419 -10.667 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -13.793 -5.252 -12.261 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -14.197 -3.802 -11.312 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -16.944 -4.744 -10.357 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -16.570 -3.130 -11.008 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -17.876 -4.100 -11.730 1.00 0.00 H new ATOM 1644 N THR A 101 -13.825 -3.881 -14.877 1.00 0.00 N ATOM 1645 CA THR A 101 -12.872 -4.433 -15.837 1.00 0.00 C ATOM 1646 C THR A 101 -11.476 -4.458 -15.244 1.00 0.00 C ATOM 1647 O THR A 101 -11.118 -3.603 -14.432 1.00 0.00 O ATOM 1648 CB THR A 101 -12.865 -3.556 -17.093 1.00 0.00 C ATOM 1649 OG1 THR A 101 -12.390 -2.259 -16.755 1.00 0.00 O ATOM 1650 CG2 THR A 101 -14.285 -3.441 -17.653 1.00 0.00 C ATOM 0 H THR A 101 -13.606 -2.940 -14.550 1.00 0.00 H new ATOM 0 HA THR A 101 -13.169 -5.452 -16.086 1.00 0.00 H new ATOM 0 HB THR A 101 -12.216 -4.006 -17.844 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.382 -1.695 -17.556 1.00 0.00 H new ATOM 0 HG21 THR A 101 -14.274 -2.816 -18.546 1.00 0.00 H new ATOM 0 HG22 THR A 101 -14.657 -4.433 -17.909 1.00 0.00 H new ATOM 0 HG23 THR A 101 -14.936 -2.991 -16.904 1.00 0.00 H new ATOM 1658 N SER A 102 -10.683 -5.426 -15.674 1.00 0.00 N ATOM 1659 CA SER A 102 -9.317 -5.530 -15.195 1.00 0.00 C ATOM 1660 C SER A 102 -8.563 -4.293 -15.605 1.00 0.00 C ATOM 1661 O SER A 102 -7.520 -3.953 -15.052 1.00 0.00 O ATOM 1662 CB SER A 102 -8.617 -6.747 -15.797 1.00 0.00 C ATOM 1663 OG SER A 102 -8.516 -6.577 -17.205 1.00 0.00 O ATOM 0 H SER A 102 -10.958 -6.142 -16.346 1.00 0.00 H new ATOM 0 HA SER A 102 -9.336 -5.635 -14.110 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.625 -6.864 -15.360 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.176 -7.654 -15.567 1.00 0.00 H new ATOM 0 HG SER A 102 -8.066 -7.354 -17.597 1.00 0.00 H new ATOM 1669 N LEU A 103 -9.091 -3.638 -16.606 1.00 0.00 N ATOM 1670 CA LEU A 103 -8.463 -2.441 -17.113 1.00 0.00 C ATOM 1671 C LEU A 103 -8.543 -1.325 -16.088 1.00 0.00 C ATOM 1672 O LEU A 103 -7.563 -0.635 -15.817 1.00 0.00 O ATOM 1673 CB LEU A 103 -9.155 -2.014 -18.400 1.00 0.00 C ATOM 1674 CG LEU A 103 -8.486 -0.755 -18.979 1.00 0.00 C ATOM 1675 CD1 LEU A 103 -6.990 -1.003 -19.248 1.00 0.00 C ATOM 1676 CD2 LEU A 103 -9.191 -0.385 -20.287 1.00 0.00 C ATOM 0 H LEU A 103 -9.949 -3.909 -17.086 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.412 -2.649 -17.315 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.112 -2.824 -19.129 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.209 -1.816 -18.205 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.570 0.059 -18.259 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.539 -0.099 -19.657 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.492 -1.267 -18.315 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.879 -1.819 -19.962 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.728 0.506 -20.710 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -9.103 -1.210 -20.994 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.245 -0.187 -20.089 1.00 0.00 H new ATOM 1688 N ASP A 104 -9.720 -1.156 -15.520 1.00 0.00 N ATOM 1689 CA ASP A 104 -9.917 -0.130 -14.521 1.00 0.00 C ATOM 1690 C ASP A 104 -9.040 -0.450 -13.324 1.00 0.00 C ATOM 1691 O ASP A 104 -8.483 0.438 -12.680 1.00 0.00 O ATOM 1692 CB ASP A 104 -11.393 -0.083 -14.124 1.00 0.00 C ATOM 1693 CG ASP A 104 -11.733 1.262 -13.501 1.00 0.00 C ATOM 1694 OD1 ASP A 104 -10.834 1.894 -12.971 1.00 0.00 O ATOM 1695 OD2 ASP A 104 -12.889 1.642 -13.571 1.00 0.00 O1- ATOM 0 H ASP A 104 -10.548 -1.712 -15.732 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.641 0.849 -14.914 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.017 -0.253 -15.001 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -11.612 -0.884 -13.417 1.00 0.00 H new ATOM 1700 N VAL A 105 -8.895 -1.741 -13.061 1.00 0.00 N ATOM 1701 CA VAL A 105 -8.051 -2.199 -11.974 1.00 0.00 C ATOM 1702 C VAL A 105 -6.624 -1.775 -12.265 1.00 0.00 C ATOM 1703 O VAL A 105 -5.917 -1.286 -11.388 1.00 0.00 O ATOM 1704 CB VAL A 105 -8.129 -3.719 -11.876 1.00 0.00 C ATOM 1705 CG1 VAL A 105 -7.079 -4.224 -10.876 1.00 0.00 C ATOM 1706 CG2 VAL A 105 -9.537 -4.135 -11.419 1.00 0.00 C ATOM 0 H VAL A 105 -9.351 -2.487 -13.586 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.382 -1.767 -11.030 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.929 -4.158 -12.853 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.136 -5.310 -10.807 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.085 -3.933 -11.215 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -7.270 -3.787 -9.896 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.591 -5.221 -11.350 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.746 -3.698 -10.443 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -10.273 -3.781 -12.140 1.00 0.00 H new ATOM 1716 N VAL A 106 -6.223 -1.945 -13.518 1.00 0.00 N ATOM 1717 CA VAL A 106 -4.894 -1.553 -13.940 1.00 0.00 C ATOM 1718 C VAL A 106 -4.705 -0.056 -13.728 1.00 0.00 C ATOM 1719 O VAL A 106 -3.661 0.382 -13.248 1.00 0.00 O ATOM 1720 CB VAL A 106 -4.675 -1.950 -15.411 1.00 0.00 C ATOM 1721 CG1 VAL A 106 -3.496 -1.180 -15.992 1.00 0.00 C ATOM 1722 CG2 VAL A 106 -4.364 -3.451 -15.479 1.00 0.00 C ATOM 0 H VAL A 106 -6.800 -2.351 -14.254 1.00 0.00 H new ATOM 0 HA VAL A 106 -4.148 -2.073 -13.339 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.574 -1.718 -15.982 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.350 -1.469 -17.033 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -3.697 -0.110 -15.937 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.595 -1.409 -15.422 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.207 -3.743 -16.517 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.464 -3.662 -14.902 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.200 -4.015 -15.066 1.00 0.00 H new ATOM 1732 N TYR A 107 -5.725 0.721 -14.062 1.00 0.00 N ATOM 1733 CA TYR A 107 -5.649 2.157 -13.868 1.00 0.00 C ATOM 1734 C TYR A 107 -5.466 2.430 -12.385 1.00 0.00 C ATOM 1735 O TYR A 107 -4.669 3.275 -11.981 1.00 0.00 O ATOM 1736 CB TYR A 107 -6.953 2.807 -14.340 1.00 0.00 C ATOM 1737 CG TYR A 107 -6.939 3.056 -15.831 1.00 0.00 C ATOM 1738 CD1 TYR A 107 -6.165 2.276 -16.707 1.00 0.00 C ATOM 1739 CD2 TYR A 107 -7.724 4.090 -16.329 1.00 0.00 C ATOM 1740 CE1 TYR A 107 -6.189 2.546 -18.082 1.00 0.00 C ATOM 1741 CE2 TYR A 107 -7.749 4.361 -17.700 1.00 0.00 C ATOM 1742 CZ TYR A 107 -6.980 3.590 -18.578 1.00 0.00 C ATOM 1743 OH TYR A 107 -7.002 3.855 -19.933 1.00 0.00 O ATOM 0 H TYR A 107 -6.601 0.386 -14.462 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.815 2.568 -14.437 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.795 2.163 -14.085 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -7.102 3.750 -13.814 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -5.555 1.472 -16.322 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -8.318 4.687 -15.653 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.597 1.949 -18.760 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -8.361 5.165 -18.081 1.00 0.00 H new ATOM 0 HH TYR A 107 -7.602 4.610 -20.109 1.00 0.00 H new ATOM 1753 N ALA A 108 -6.222 1.691 -11.586 1.00 0.00 N ATOM 1754 CA ALA A 108 -6.155 1.834 -10.144 1.00 0.00 C ATOM 1755 C ALA A 108 -4.754 1.494 -9.654 1.00 0.00 C ATOM 1756 O ALA A 108 -4.197 2.188 -8.807 1.00 0.00 O ATOM 1757 CB ALA A 108 -7.181 0.923 -9.469 1.00 0.00 C ATOM 0 H ALA A 108 -6.886 0.989 -11.913 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.384 2.868 -9.884 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -7.118 1.042 -8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.183 1.191 -9.806 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.975 -0.115 -9.732 1.00 0.00 H new ATOM 1763 N LEU A 109 -4.186 0.428 -10.212 1.00 0.00 N ATOM 1764 CA LEU A 109 -2.840 0.007 -9.846 1.00 0.00 C ATOM 1765 C LEU A 109 -1.812 1.052 -10.272 1.00 0.00 C ATOM 1766 O LEU A 109 -0.837 1.307 -9.564 1.00 0.00 O ATOM 1767 CB LEU A 109 -2.518 -1.361 -10.490 1.00 0.00 C ATOM 1768 CG LEU A 109 -3.062 -2.529 -9.649 1.00 0.00 C ATOM 1769 CD1 LEU A 109 -3.094 -3.806 -10.501 1.00 0.00 C ATOM 1770 CD2 LEU A 109 -2.137 -2.796 -8.450 1.00 0.00 C ATOM 0 H LEU A 109 -4.636 -0.157 -10.916 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.792 -0.094 -8.762 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.948 -1.402 -11.491 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.439 -1.465 -10.602 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.062 -2.265 -9.305 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.480 -4.632 -9.904 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.740 -3.651 -11.365 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.085 -4.043 -10.840 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.533 -3.625 -7.863 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.140 -3.050 -8.809 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.082 -1.903 -7.827 1.00 0.00 H new