USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 812 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 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc=-0.000755 X(o=-0.00076,f=-0.5) USER MOD Single : A 19 ASN : amide:sc= -0.712 K(o=-0.71,f=-3.3!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 173:sc= -0.0242 (180deg=-0.0595) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.564 F(o=-1.2,f=-0.56) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot 70:sc= 0.76 USER MOD Single : A 53 TYR OH : rot 165:sc= -0.125 USER MOD Single : A 54 TYR OH : rot 165:sc= -0.969 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 16:sc= 0.397 USER MOD Single : A 65 SER OG : rot -112:sc= 1.57 USER MOD Single : A 70 SER OG : rot 180:sc= -0.334 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0.826 K(o=0.83,f=-0.13) USER MOD Single : A 83 SER OG : rot 180:sc= 0.00189 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= -4.42! C(o=-4.4!,f=-6.1!) USER MOD Single : A 87 THR OG1 : rot -150:sc= -0.065 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HE2:sc= -6.2! C(o=-6.2!,f=-10!) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.958 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -130:sc= -0.814 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.903 K(o=-0.9,f=-1.9!) USER MOD Single : A 113 GLN : amide:sc= -0.17 K(o=-0.17,f=-2.1!) USER MOD Single : A 115 MET CE :methyl -172:sc= -0.168 (180deg=-0.352) USER MOD ----------------------------------------------------------------- ATOM 176 N LYS A 15 -11.879 3.784 -6.361 1.00 0.00 N ATOM 177 CA LYS A 15 -12.570 2.506 -6.241 1.00 0.00 C ATOM 178 C LYS A 15 -11.766 1.389 -6.898 1.00 0.00 C ATOM 179 O LYS A 15 -10.731 1.637 -7.517 1.00 0.00 O ATOM 180 CB LYS A 15 -13.959 2.592 -6.878 1.00 0.00 C ATOM 181 CG LYS A 15 -15.037 3.075 -5.923 1.00 0.00 C ATOM 182 CD LYS A 15 -14.876 4.550 -5.599 1.00 0.00 C ATOM 183 CE LYS A 15 -16.179 5.159 -5.105 1.00 0.00 C ATOM 184 NZ LYS A 15 -17.001 5.694 -6.225 1.00 0.00 N ATOM 0 HA LYS A 15 -12.677 2.277 -5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.916 3.265 -7.734 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.236 1.609 -7.259 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.019 2.904 -6.365 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.996 2.493 -5.002 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.104 4.674 -4.839 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.538 5.084 -6.487 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.750 4.405 -4.564 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.961 5.961 -4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.880 6.100 -5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.466 6.432 -6.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.231 4.924 -6.885 1.00 0.00 H new ATOM 198 N ARG A 16 -12.250 0.159 -6.761 1.00 0.00 N ATOM 199 CA ARG A 16 -11.576 -0.997 -7.342 1.00 0.00 C ATOM 200 C ARG A 16 -12.558 -1.861 -8.127 1.00 0.00 C ATOM 201 O ARG A 16 -13.182 -2.766 -7.576 1.00 0.00 O ATOM 202 CB ARG A 16 -10.911 -1.830 -6.245 1.00 0.00 C ATOM 203 CG ARG A 16 -10.234 -3.089 -6.763 1.00 0.00 C ATOM 204 CD ARG A 16 -10.220 -4.187 -5.711 1.00 0.00 C ATOM 205 NE ARG A 16 -10.185 -5.518 -6.311 1.00 0.00 N ATOM 206 CZ ARG A 16 -11.266 -6.158 -6.743 1.00 0.00 C ATOM 207 NH1 ARG A 16 -12.460 -5.591 -6.643 1.00 0.00 N ATOM 208 NH2 ARG A 16 -11.153 -7.368 -7.277 1.00 0.00 N ATOM 0 H ARG A 16 -13.106 -0.063 -6.253 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.810 -0.634 -8.028 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.172 -1.215 -5.731 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.662 -2.109 -5.506 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.754 -3.443 -7.653 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.212 -2.857 -7.062 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.353 -4.058 -5.064 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.105 -4.097 -5.080 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.281 -5.982 -6.403 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.550 -4.661 -6.234 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.288 -6.085 -6.975 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.236 -7.807 -7.356 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.983 -7.859 -7.608 1.00 0.00 H new ATOM 222 N ASN A 17 -12.690 -1.573 -9.418 1.00 0.00 N ATOM 223 CA ASN A 17 -13.597 -2.323 -10.280 1.00 0.00 C ATOM 224 C ASN A 17 -13.369 -3.825 -10.133 1.00 0.00 C ATOM 225 O ASN A 17 -12.239 -4.297 -10.007 1.00 0.00 O ATOM 226 CB ASN A 17 -13.407 -1.907 -11.740 1.00 0.00 C ATOM 227 CG ASN A 17 -13.788 -0.460 -11.983 1.00 0.00 C ATOM 228 OD1 ASN A 17 -14.758 0.043 -11.415 1.00 0.00 O ATOM 229 ND2 ASN A 17 -13.024 0.218 -12.832 1.00 0.00 N ATOM 0 H ASN A 17 -12.181 -0.826 -9.890 1.00 0.00 H new ATOM 0 HA ASN A 17 -14.619 -2.097 -9.975 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.366 -2.059 -12.026 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -14.010 -2.551 -12.380 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.231 1.196 -13.036 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.230 -0.239 -13.280 1.00 0.00 H new ATOM 236 N PRO A 18 -14.468 -4.594 -10.150 1.00 0.00 N ATOM 237 CA PRO A 18 -14.415 -6.053 -10.021 1.00 0.00 C ATOM 238 C PRO A 18 -13.809 -6.722 -11.250 1.00 0.00 C ATOM 239 O PRO A 18 -13.016 -7.655 -11.133 1.00 0.00 O ATOM 240 CB PRO A 18 -15.885 -6.450 -9.867 1.00 0.00 C ATOM 241 CG PRO A 18 -16.645 -5.352 -10.527 1.00 0.00 C ATOM 242 CD PRO A 18 -15.847 -4.098 -10.296 1.00 0.00 C ATOM 0 HA PRO A 18 -13.786 -6.365 -9.188 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -16.087 -7.411 -10.340 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.161 -6.547 -8.817 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -16.766 -5.547 -11.593 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.646 -5.261 -10.104 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.938 -3.404 -11.131 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.180 -3.568 -9.404 1.00 0.00 H new ATOM 250 N ASN A 19 -14.188 -6.238 -12.429 1.00 0.00 N ATOM 251 CA ASN A 19 -13.681 -6.789 -13.680 1.00 0.00 C ATOM 252 C ASN A 19 -12.161 -6.675 -13.749 1.00 0.00 C ATOM 253 O ASN A 19 -11.480 -7.590 -14.212 1.00 0.00 O ATOM 254 CB ASN A 19 -14.312 -6.067 -14.872 1.00 0.00 C ATOM 255 CG ASN A 19 -14.354 -4.563 -14.682 1.00 0.00 C ATOM 256 OD1 ASN A 19 -13.316 -3.903 -14.640 1.00 0.00 O ATOM 257 ND2 ASN A 19 -15.558 -4.015 -14.564 1.00 0.00 N ATOM 0 H ASN A 19 -14.844 -5.466 -12.544 1.00 0.00 H new ATOM 0 HA ASN A 19 -13.950 -7.844 -13.718 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -13.748 -6.301 -15.775 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -15.325 -6.440 -15.024 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -15.649 -3.008 -14.432 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -16.392 -4.601 -14.605 1.00 0.00 H new ATOM 264 N ALA A 20 -11.636 -5.546 -13.285 1.00 0.00 N ATOM 265 CA ALA A 20 -10.197 -5.313 -13.291 1.00 0.00 C ATOM 266 C ALA A 20 -9.446 -6.505 -12.708 1.00 0.00 C ATOM 267 O ALA A 20 -9.731 -6.969 -11.604 1.00 0.00 O ATOM 268 CB ALA A 20 -9.864 -4.046 -12.517 1.00 0.00 C ATOM 0 H ALA A 20 -12.186 -4.778 -12.900 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.878 -5.187 -14.326 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.786 -3.885 -12.530 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.364 -3.195 -12.980 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.203 -4.150 -11.486 1.00 0.00 H new ATOM 274 N PRO A 21 -8.463 -7.014 -13.466 1.00 0.00 N ATOM 275 CA PRO A 21 -7.650 -8.158 -13.044 1.00 0.00 C ATOM 276 C PRO A 21 -6.715 -7.812 -11.890 1.00 0.00 C ATOM 277 O PRO A 21 -6.039 -6.783 -11.914 1.00 0.00 O ATOM 278 CB PRO A 21 -6.846 -8.504 -14.299 1.00 0.00 C ATOM 279 CG PRO A 21 -6.778 -7.230 -15.068 1.00 0.00 C ATOM 280 CD PRO A 21 -8.069 -6.510 -14.792 1.00 0.00 C ATOM 0 HA PRO A 21 -8.264 -8.979 -12.675 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.850 -8.866 -14.044 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.333 -9.290 -14.877 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.923 -6.631 -14.756 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.659 -7.424 -16.134 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.933 -5.429 -14.787 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.823 -6.733 -15.547 1.00 0.00 H new ATOM 288 N VAL A 22 -6.681 -8.677 -10.882 1.00 0.00 N ATOM 289 CA VAL A 22 -5.827 -8.463 -9.720 1.00 0.00 C ATOM 290 C VAL A 22 -4.352 -8.538 -10.100 1.00 0.00 C ATOM 291 O VAL A 22 -3.852 -9.593 -10.490 1.00 0.00 O ATOM 292 CB VAL A 22 -6.113 -9.497 -8.615 1.00 0.00 C ATOM 293 CG1 VAL A 22 -5.183 -9.285 -7.430 1.00 0.00 C ATOM 294 CG2 VAL A 22 -7.569 -9.422 -8.180 1.00 0.00 C ATOM 0 H VAL A 22 -7.235 -9.533 -10.846 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.052 -7.466 -9.342 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.928 -10.493 -9.017 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.400 -10.025 -6.660 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.148 -9.393 -7.756 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.333 -8.284 -7.024 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.754 -10.159 -7.399 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.783 -8.425 -7.796 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.215 -9.628 -9.034 1.00 0.00 H new ATOM 304 N THR A 23 -3.659 -7.409 -9.983 1.00 0.00 N ATOM 305 CA THR A 23 -2.241 -7.345 -10.315 1.00 0.00 C ATOM 306 C THR A 23 -1.414 -8.199 -9.361 1.00 0.00 C ATOM 307 O THR A 23 -0.701 -9.109 -9.784 1.00 0.00 O ATOM 308 CB THR A 23 -1.719 -5.897 -10.274 1.00 0.00 C ATOM 309 OG1 THR A 23 -2.514 -5.065 -11.126 1.00 0.00 O ATOM 310 CG2 THR A 23 -0.263 -5.834 -10.710 1.00 0.00 C ATOM 0 H THR A 23 -4.057 -6.527 -9.661 1.00 0.00 H new ATOM 0 HA THR A 23 -2.136 -7.732 -11.329 1.00 0.00 H new ATOM 0 HB THR A 23 -1.790 -5.538 -9.247 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.176 -4.146 -11.093 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.084 -4.801 -10.673 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.344 -6.445 -10.041 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.172 -6.211 -11.729 1.00 0.00 H new ATOM 318 N LYS A 24 -1.514 -7.901 -8.070 1.00 0.00 N ATOM 319 CA LYS A 24 -0.777 -8.642 -7.054 1.00 0.00 C ATOM 320 C LYS A 24 -1.406 -8.451 -5.677 1.00 0.00 C ATOM 321 O LYS A 24 -1.726 -7.330 -5.281 1.00 0.00 O ATOM 322 CB LYS A 24 0.686 -8.192 -7.025 1.00 0.00 C ATOM 323 CG LYS A 24 1.613 -9.180 -6.339 1.00 0.00 C ATOM 324 CD LYS A 24 2.981 -8.572 -6.077 1.00 0.00 C ATOM 325 CE LYS A 24 3.886 -9.538 -5.329 1.00 0.00 C ATOM 326 NZ LYS A 24 4.257 -10.712 -6.166 1.00 0.00 N ATOM 0 H LYS A 24 -2.099 -7.151 -7.703 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.820 -9.701 -7.310 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.029 -8.034 -8.048 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.752 -7.231 -6.515 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.170 -9.502 -5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.722 -10.069 -6.960 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.445 -8.296 -7.024 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.868 -7.655 -5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.790 -9.018 -5.013 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.383 -9.881 -4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.966 -11.285 -5.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.411 -11.289 -6.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.653 -10.383 -7.070 1.00 0.00 H new ATOM 340 N ALA A 25 -1.578 -9.551 -4.953 1.00 0.00 N ATOM 341 CA ALA A 25 -2.166 -9.503 -3.619 1.00 0.00 C ATOM 342 C ALA A 25 -1.343 -10.319 -2.628 1.00 0.00 C ATOM 343 O ALA A 25 -0.747 -11.334 -2.987 1.00 0.00 O ATOM 344 CB ALA A 25 -3.601 -10.006 -3.657 1.00 0.00 C ATOM 0 H ALA A 25 -1.319 -10.486 -5.267 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.165 -8.466 -3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.028 -9.965 -2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.189 -9.379 -4.328 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.616 -11.035 -4.016 1.00 0.00 H new ATOM 350 N GLY A 26 -1.315 -9.869 -1.377 1.00 0.00 N ATOM 351 CA GLY A 26 -0.562 -10.569 -0.353 1.00 0.00 C ATOM 352 C GLY A 26 -0.618 -9.868 0.990 1.00 0.00 C ATOM 353 O GLY A 26 -0.789 -8.651 1.055 1.00 0.00 O ATOM 0 H GLY A 26 -1.801 -9.032 -1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.953 -11.581 -0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.477 -10.660 -0.669 1.00 0.00 H new ATOM 357 N TRP A 27 -0.477 -10.637 2.063 1.00 0.00 N ATOM 358 CA TRP A 27 -0.514 -10.082 3.411 1.00 0.00 C ATOM 359 C TRP A 27 0.750 -9.284 3.707 1.00 0.00 C ATOM 360 O TRP A 27 1.825 -9.853 3.901 1.00 0.00 O ATOM 361 CB TRP A 27 -0.678 -11.201 4.441 1.00 0.00 C ATOM 362 CG TRP A 27 -2.089 -11.689 4.570 1.00 0.00 C ATOM 363 CD1 TRP A 27 -2.640 -12.777 3.955 1.00 0.00 C ATOM 364 CD2 TRP A 27 -3.129 -11.103 5.361 1.00 0.00 C ATOM 365 NE1 TRP A 27 -3.960 -12.903 4.317 1.00 0.00 N ATOM 366 CE2 TRP A 27 -4.284 -11.890 5.179 1.00 0.00 C ATOM 367 CE3 TRP A 27 -3.197 -9.993 6.207 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -5.490 -11.598 5.811 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -4.395 -9.705 6.833 1.00 0.00 C ATOM 370 CH2 TRP A 27 -5.528 -10.505 6.634 1.00 0.00 C ATOM 0 H TRP A 27 -0.336 -11.647 2.026 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.369 -9.409 3.476 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -0.036 -12.037 4.163 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.335 -10.844 5.412 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -2.116 -13.441 3.283 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -4.595 -13.633 3.995 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.329 -9.371 6.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -6.365 -12.212 5.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.459 -8.848 7.487 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.449 -10.254 7.140 1.00 0.00 H new ATOM 381 N LEU A 28 0.616 -7.962 3.739 1.00 0.00 N ATOM 382 CA LEU A 28 1.749 -7.085 4.011 1.00 0.00 C ATOM 383 C LEU A 28 1.540 -6.312 5.309 1.00 0.00 C ATOM 384 O LEU A 28 0.509 -6.451 5.967 1.00 0.00 O ATOM 385 CB LEU A 28 1.955 -6.110 2.851 1.00 0.00 C ATOM 386 CG LEU A 28 2.665 -6.672 1.619 1.00 0.00 C ATOM 387 CD1 LEU A 28 2.460 -5.758 0.421 1.00 0.00 C ATOM 388 CD2 LEU A 28 4.148 -6.863 1.899 1.00 0.00 C ATOM 0 H LEU A 28 -0.266 -7.475 3.580 1.00 0.00 H new ATOM 0 HA LEU A 28 2.639 -7.705 4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.980 -5.732 2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.526 -5.257 3.217 1.00 0.00 H new ATOM 0 HG LEU A 28 2.232 -7.645 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.973 -6.174 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.395 -5.673 0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.866 -4.771 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.637 -7.264 1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.596 -5.904 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.275 -7.559 2.728 1.00 0.00 H new ATOM 400 N PHE A 29 2.523 -5.495 5.670 1.00 0.00 N ATOM 401 CA PHE A 29 2.446 -4.697 6.889 1.00 0.00 C ATOM 402 C PHE A 29 2.594 -3.211 6.577 1.00 0.00 C ATOM 403 O PHE A 29 3.507 -2.803 5.860 1.00 0.00 O ATOM 404 CB PHE A 29 3.530 -5.133 7.878 1.00 0.00 C ATOM 405 CG PHE A 29 3.588 -6.619 8.088 1.00 0.00 C ATOM 406 CD1 PHE A 29 4.312 -7.426 7.225 1.00 0.00 C ATOM 407 CD2 PHE A 29 2.918 -7.208 9.148 1.00 0.00 C ATOM 408 CE1 PHE A 29 4.368 -8.794 7.416 1.00 0.00 C ATOM 409 CE2 PHE A 29 2.971 -8.575 9.344 1.00 0.00 C ATOM 410 CZ PHE A 29 3.695 -9.369 8.477 1.00 0.00 C ATOM 0 H PHE A 29 3.383 -5.368 5.136 1.00 0.00 H new ATOM 0 HA PHE A 29 1.466 -4.859 7.339 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.499 -4.787 7.518 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.353 -4.645 8.837 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.839 -6.981 6.394 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.348 -6.592 9.828 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.937 -9.412 6.737 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.446 -9.022 10.175 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.735 -10.438 8.628 1.00 0.00 H new ATOM 420 N LYS A 30 1.688 -2.406 7.121 1.00 0.00 N ATOM 421 CA LYS A 30 1.715 -0.964 6.903 1.00 0.00 C ATOM 422 C LYS A 30 2.136 -0.230 8.172 1.00 0.00 C ATOM 423 O LYS A 30 1.321 0.001 9.065 1.00 0.00 O ATOM 424 CB LYS A 30 0.340 -0.471 6.448 1.00 0.00 C ATOM 425 CG LYS A 30 0.385 0.852 5.704 1.00 0.00 C ATOM 426 CD LYS A 30 -0.935 1.147 5.010 1.00 0.00 C ATOM 427 CE LYS A 30 -1.105 2.635 4.745 1.00 0.00 C ATOM 428 NZ LYS A 30 -1.630 3.355 5.938 1.00 0.00 N ATOM 0 H LYS A 30 0.925 -2.728 7.717 1.00 0.00 H new ATOM 0 HA LYS A 30 2.446 -0.753 6.123 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.113 -1.225 5.804 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.306 -0.367 7.320 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.617 1.656 6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.187 0.829 4.967 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.982 0.601 4.068 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.759 0.790 5.627 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.146 3.064 4.455 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.785 2.779 3.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.732 4.366 5.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.557 2.963 6.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.968 3.239 6.732 1.00 0.00 H new ATOM 442 N GLN A 31 3.412 0.135 8.244 1.00 0.00 N ATOM 443 CA GLN A 31 3.939 0.844 9.404 1.00 0.00 C ATOM 444 C GLN A 31 2.896 1.795 9.981 1.00 0.00 C ATOM 445 O GLN A 31 2.143 2.428 9.242 1.00 0.00 O ATOM 446 CB GLN A 31 5.200 1.622 9.023 1.00 0.00 C ATOM 447 CG GLN A 31 6.179 1.793 10.173 1.00 0.00 C ATOM 448 CD GLN A 31 6.989 3.070 10.064 1.00 0.00 C ATOM 449 OE1 GLN A 31 6.446 4.172 10.146 1.00 0.00 O ATOM 450 NE2 GLN A 31 8.296 2.928 9.877 1.00 0.00 N ATOM 0 H GLN A 31 4.100 -0.048 7.513 1.00 0.00 H new ATOM 0 HA GLN A 31 4.192 0.106 10.165 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.701 1.107 8.204 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.912 2.606 8.652 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.631 1.794 11.115 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.856 0.939 10.199 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.704 1.995 9.815 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.892 3.752 9.795 1.00 0.00 H new ATOM 459 N ALA A 32 2.857 1.890 11.306 1.00 0.00 N ATOM 460 CA ALA A 32 1.907 2.765 11.982 1.00 0.00 C ATOM 461 C ALA A 32 2.443 4.189 12.075 1.00 0.00 C ATOM 462 O ALA A 32 3.612 4.443 11.785 1.00 0.00 O ATOM 463 CB ALA A 32 1.589 2.227 13.370 1.00 0.00 C ATOM 0 H ALA A 32 3.473 1.372 11.933 1.00 0.00 H new ATOM 0 HA ALA A 32 0.989 2.788 11.394 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.878 2.890 13.863 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.156 1.231 13.284 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.505 2.174 13.958 1.00 0.00 H new ATOM 536 N GLN A 38 4.635 0.528 15.735 1.00 0.00 N ATOM 537 CA GLN A 38 4.372 -0.879 15.459 1.00 0.00 C ATOM 538 C GLN A 38 3.804 -1.062 14.056 1.00 0.00 C ATOM 539 O GLN A 38 3.230 -0.136 13.482 1.00 0.00 O ATOM 540 CB GLN A 38 3.400 -1.450 16.494 1.00 0.00 C ATOM 541 CG GLN A 38 1.953 -1.049 16.256 1.00 0.00 C ATOM 542 CD GLN A 38 0.974 -1.918 17.019 1.00 0.00 C ATOM 543 OE1 GLN A 38 1.021 -1.997 18.247 1.00 0.00 O ATOM 544 NE2 GLN A 38 0.078 -2.578 16.294 1.00 0.00 N ATOM 0 HA GLN A 38 5.317 -1.418 15.521 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.473 -2.538 16.487 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.702 -1.116 17.487 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.815 -0.009 16.550 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.733 -1.111 15.190 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.074 -2.484 15.278 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.607 -3.179 16.753 1.00 0.00 H new ATOM 553 N TRP A 39 3.968 -2.261 13.508 1.00 0.00 N ATOM 554 CA TRP A 39 3.472 -2.565 12.171 1.00 0.00 C ATOM 555 C TRP A 39 2.091 -3.208 12.236 1.00 0.00 C ATOM 556 O TRP A 39 1.767 -3.910 13.193 1.00 0.00 O ATOM 557 CB TRP A 39 4.446 -3.491 11.442 1.00 0.00 C ATOM 558 CG TRP A 39 5.787 -2.869 11.196 1.00 0.00 C ATOM 559 CD1 TRP A 39 6.802 -2.726 12.098 1.00 0.00 C ATOM 560 CD2 TRP A 39 6.257 -2.304 9.967 1.00 0.00 C ATOM 561 NE1 TRP A 39 7.875 -2.106 11.505 1.00 0.00 N ATOM 562 CE2 TRP A 39 7.566 -1.837 10.197 1.00 0.00 C ATOM 563 CE3 TRP A 39 5.701 -2.148 8.695 1.00 0.00 C ATOM 564 CZ2 TRP A 39 8.324 -1.226 9.202 1.00 0.00 C ATOM 565 CZ3 TRP A 39 6.454 -1.541 7.708 1.00 0.00 C ATOM 566 CH2 TRP A 39 7.754 -1.087 7.966 1.00 0.00 C ATOM 0 H TRP A 39 4.441 -3.038 13.969 1.00 0.00 H new ATOM 0 HA TRP A 39 3.390 -1.629 11.619 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.578 -4.401 12.027 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.010 -3.786 10.488 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.767 -3.052 13.127 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.758 -1.882 11.964 1.00 0.00 H new ATOM 0 HE3 TRP A 39 4.700 -2.496 8.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.326 -0.874 9.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.033 -1.414 6.721 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.318 -0.618 7.173 1.00 0.00 H new ATOM 577 N ASN A 40 1.280 -2.963 11.211 1.00 0.00 N ATOM 578 CA ASN A 40 -0.067 -3.519 11.153 1.00 0.00 C ATOM 579 C ASN A 40 -0.212 -4.471 9.970 1.00 0.00 C ATOM 580 O ASN A 40 -0.037 -4.078 8.816 1.00 0.00 O ATOM 581 CB ASN A 40 -1.100 -2.396 11.047 1.00 0.00 C ATOM 582 CG ASN A 40 -1.351 -1.714 12.378 1.00 0.00 C ATOM 583 OD1 ASN A 40 -0.289 -1.203 12.990 1.00 0.00 O flip ATOM 584 ND2 ASN A 40 -2.486 -1.647 12.850 1.00 0.00 N flip ATOM 0 H ASN A 40 1.532 -2.384 10.410 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.242 -4.080 12.071 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.757 -1.658 10.322 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.037 -2.803 10.668 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.273 -2.054 12.345 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.639 -1.185 13.746 1.00 0.00 H new ATOM 591 N LYS A 41 -0.533 -5.727 10.264 1.00 0.00 N ATOM 592 CA LYS A 41 -0.703 -6.737 9.226 1.00 0.00 C ATOM 593 C LYS A 41 -2.096 -6.654 8.610 1.00 0.00 C ATOM 594 O LYS A 41 -3.093 -6.964 9.262 1.00 0.00 O ATOM 595 CB LYS A 41 -0.472 -8.135 9.803 1.00 0.00 C ATOM 596 CG LYS A 41 -0.327 -9.214 8.744 1.00 0.00 C ATOM 597 CD LYS A 41 -0.748 -10.575 9.273 1.00 0.00 C ATOM 598 CE LYS A 41 -0.656 -11.644 8.195 1.00 0.00 C ATOM 599 NZ LYS A 41 -0.886 -13.008 8.747 1.00 0.00 N ATOM 0 H LYS A 41 -0.681 -6.070 11.213 1.00 0.00 H new ATOM 0 HA LYS A 41 0.033 -6.547 8.445 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.426 -8.120 10.420 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.305 -8.391 10.458 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.934 -8.957 7.876 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.709 -9.258 8.408 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.114 -10.851 10.116 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.770 -10.521 9.647 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.390 -11.439 7.416 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.327 -11.603 7.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.815 -13.709 7.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.170 -13.214 9.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.834 -13.055 9.173 1.00 0.00 H new ATOM 613 N ARG A 42 -2.157 -6.234 7.350 1.00 0.00 N ATOM 614 CA ARG A 42 -3.428 -6.111 6.647 1.00 0.00 C ATOM 615 C ARG A 42 -3.340 -6.727 5.254 1.00 0.00 C ATOM 616 O ARG A 42 -2.250 -6.904 4.710 1.00 0.00 O ATOM 617 CB ARG A 42 -3.836 -4.641 6.541 1.00 0.00 C ATOM 618 CG ARG A 42 -3.967 -3.946 7.887 1.00 0.00 C ATOM 619 CD ARG A 42 -5.372 -4.084 8.451 1.00 0.00 C ATOM 620 NE ARG A 42 -5.386 -4.009 9.910 1.00 0.00 N ATOM 621 CZ ARG A 42 -5.360 -2.867 10.587 1.00 0.00 C ATOM 622 NH1 ARG A 42 -5.321 -1.710 9.941 1.00 0.00 N ATOM 623 NH2 ARG A 42 -5.375 -2.880 11.914 1.00 0.00 N ATOM 0 H ARG A 42 -1.341 -5.973 6.796 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.184 -6.651 7.217 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.099 -4.111 5.938 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.787 -4.574 6.013 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.249 -4.371 8.588 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.720 -2.890 7.778 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.006 -3.297 8.041 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.799 -5.035 8.133 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.417 -4.882 10.437 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.311 -1.695 8.921 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.301 -0.834 10.464 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.407 -3.768 12.415 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.355 -2.002 12.433 1.00 0.00 H new ATOM 637 N TRP A 43 -4.494 -7.052 4.682 1.00 0.00 N ATOM 638 CA TRP A 43 -4.548 -7.649 3.353 1.00 0.00 C ATOM 639 C TRP A 43 -4.356 -6.591 2.273 1.00 0.00 C ATOM 640 O TRP A 43 -5.152 -5.658 2.155 1.00 0.00 O ATOM 641 CB TRP A 43 -5.881 -8.369 3.148 1.00 0.00 C ATOM 642 CG TRP A 43 -5.974 -9.084 1.834 1.00 0.00 C ATOM 643 CD1 TRP A 43 -6.911 -8.890 0.859 1.00 0.00 C ATOM 644 CD2 TRP A 43 -5.099 -10.109 1.352 1.00 0.00 C ATOM 645 NE1 TRP A 43 -6.671 -9.732 -0.199 1.00 0.00 N ATOM 646 CE2 TRP A 43 -5.564 -10.490 0.078 1.00 0.00 C ATOM 647 CE3 TRP A 43 -3.966 -10.742 1.872 1.00 0.00 C ATOM 648 CZ2 TRP A 43 -4.935 -11.474 -0.680 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -3.343 -11.718 1.118 1.00 0.00 C ATOM 650 CH2 TRP A 43 -3.828 -12.076 -0.147 1.00 0.00 C ATOM 0 H TRP A 43 -5.405 -6.912 5.118 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.737 -8.373 3.274 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -6.026 -9.087 3.955 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.692 -7.644 3.217 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.722 -8.179 0.912 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.227 -9.785 -1.053 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.584 -10.473 2.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.308 -11.752 -1.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.467 -12.213 1.510 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.318 -12.842 -0.712 1.00 0.00 H new ATOM 661 N PHE A 44 -3.296 -6.740 1.485 1.00 0.00 N ATOM 662 CA PHE A 44 -3.000 -5.795 0.414 1.00 0.00 C ATOM 663 C PHE A 44 -3.395 -6.370 -0.943 1.00 0.00 C ATOM 664 O PHE A 44 -3.213 -7.560 -1.203 1.00 0.00 O ATOM 665 CB PHE A 44 -1.512 -5.440 0.416 1.00 0.00 C ATOM 666 CG PHE A 44 -1.172 -4.288 1.318 1.00 0.00 C ATOM 667 CD1 PHE A 44 -1.690 -4.219 2.601 1.00 0.00 C ATOM 668 CD2 PHE A 44 -0.335 -3.273 0.882 1.00 0.00 C ATOM 669 CE1 PHE A 44 -1.379 -3.160 3.433 1.00 0.00 C ATOM 670 CE2 PHE A 44 -0.020 -2.211 1.710 1.00 0.00 C ATOM 671 CZ PHE A 44 -0.543 -2.155 2.987 1.00 0.00 C ATOM 0 H PHE A 44 -2.628 -7.506 1.568 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.583 -4.891 0.589 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.938 -6.314 0.724 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.203 -5.198 -0.601 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.344 -5.002 2.955 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.076 -3.312 -0.116 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.789 -3.118 4.431 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.634 -1.427 1.359 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.299 -1.327 3.636 1.00 0.00 H new ATOM 681 N VAL A 45 -3.938 -5.516 -1.805 1.00 0.00 N ATOM 682 CA VAL A 45 -4.359 -5.938 -3.136 1.00 0.00 C ATOM 683 C VAL A 45 -4.083 -4.852 -4.169 1.00 0.00 C ATOM 684 O VAL A 45 -4.462 -3.694 -3.986 1.00 0.00 O ATOM 685 CB VAL A 45 -5.859 -6.289 -3.165 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.309 -6.590 -4.586 1.00 0.00 C ATOM 687 CG2 VAL A 45 -6.148 -7.466 -2.245 1.00 0.00 C ATOM 0 H VAL A 45 -4.097 -4.528 -1.606 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.780 -6.828 -3.384 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.423 -5.429 -2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.371 -6.836 -4.587 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.138 -5.716 -5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.741 -7.434 -4.976 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.212 -7.701 -2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.575 -8.333 -2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.864 -7.208 -1.225 1.00 0.00 H new ATOM 697 N LEU A 46 -3.421 -5.232 -5.256 1.00 0.00 N ATOM 698 CA LEU A 46 -3.094 -4.290 -6.321 1.00 0.00 C ATOM 699 C LEU A 46 -4.021 -4.477 -7.518 1.00 0.00 C ATOM 700 O LEU A 46 -3.981 -5.506 -8.193 1.00 0.00 O ATOM 701 CB LEU A 46 -1.638 -4.468 -6.757 1.00 0.00 C ATOM 702 CG LEU A 46 -1.075 -3.382 -7.674 1.00 0.00 C ATOM 703 CD1 LEU A 46 -1.005 -2.050 -6.945 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.299 -3.782 -8.192 1.00 0.00 C ATOM 0 H LEU A 46 -3.100 -6.186 -5.423 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.231 -3.280 -5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.016 -4.520 -5.864 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.547 -5.428 -7.265 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.745 -3.270 -8.527 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.602 -1.290 -7.614 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.005 -1.758 -6.624 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.358 -2.146 -6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.685 -2.998 -8.843 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.978 -3.922 -7.351 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.219 -4.713 -8.753 1.00 0.00 H new ATOM 716 N VAL A 47 -4.855 -3.475 -7.777 1.00 0.00 N ATOM 717 CA VAL A 47 -5.790 -3.528 -8.894 1.00 0.00 C ATOM 718 C VAL A 47 -5.974 -2.151 -9.522 1.00 0.00 C ATOM 719 O VAL A 47 -6.119 -1.151 -8.819 1.00 0.00 O ATOM 720 CB VAL A 47 -7.164 -4.065 -8.451 1.00 0.00 C ATOM 721 CG1 VAL A 47 -8.250 -3.615 -9.416 1.00 0.00 C ATOM 722 CG2 VAL A 47 -7.132 -5.582 -8.342 1.00 0.00 C ATOM 0 H VAL A 47 -4.902 -2.617 -7.228 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.363 -4.207 -9.632 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.394 -3.657 -7.467 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.213 -4.004 -9.087 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.287 -2.526 -9.440 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.029 -3.992 -10.414 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.111 -5.945 -8.028 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.880 -6.011 -9.312 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.383 -5.878 -7.608 1.00 0.00 H new ATOM 732 N ASP A 48 -5.967 -2.107 -10.850 1.00 0.00 N ATOM 733 CA ASP A 48 -6.134 -0.852 -11.574 1.00 0.00 C ATOM 734 C ASP A 48 -5.031 0.136 -11.211 1.00 0.00 C ATOM 735 O ASP A 48 -5.305 1.263 -10.796 1.00 0.00 O ATOM 736 CB ASP A 48 -7.503 -0.242 -11.270 1.00 0.00 C ATOM 737 CG ASP A 48 -7.978 0.691 -12.366 1.00 0.00 C ATOM 738 OD1 ASP A 48 -8.579 0.200 -13.344 1.00 0.00 O ATOM 739 OD2 ASP A 48 -7.748 1.913 -12.247 1.00 0.00 O ATOM 0 H ASP A 48 -5.848 -2.926 -11.447 1.00 0.00 H new ATOM 0 HA ASP A 48 -6.069 -1.065 -12.641 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.232 -1.041 -11.136 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.453 0.305 -10.328 1.00 0.00 H new ATOM 744 N ARG A 49 -3.783 -0.293 -11.369 1.00 0.00 N ATOM 745 CA ARG A 49 -2.638 0.553 -11.056 1.00 0.00 C ATOM 746 C ARG A 49 -2.844 1.277 -9.728 1.00 0.00 C ATOM 747 O ARG A 49 -2.309 2.365 -9.513 1.00 0.00 O ATOM 748 CB ARG A 49 -2.409 1.572 -12.173 1.00 0.00 C ATOM 749 CG ARG A 49 -1.656 1.008 -13.367 1.00 0.00 C ATOM 750 CD ARG A 49 -0.997 2.110 -14.182 1.00 0.00 C ATOM 751 NE ARG A 49 -0.737 1.693 -15.557 1.00 0.00 N ATOM 752 CZ ARG A 49 -1.657 1.711 -16.516 1.00 0.00 C ATOM 753 NH1 ARG A 49 -2.888 2.123 -16.250 1.00 0.00 N ATOM 754 NH2 ARG A 49 -1.344 1.317 -17.744 1.00 0.00 N ATOM 0 H ARG A 49 -3.539 -1.222 -11.712 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.759 -0.086 -10.970 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.373 1.953 -12.509 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.854 2.420 -11.772 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.897 0.306 -13.021 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.344 0.447 -14.000 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.639 2.991 -14.186 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.059 2.400 -13.708 1.00 0.00 H new ATOM 0 HE ARG A 49 0.201 1.371 -15.794 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.131 2.427 -15.307 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.592 2.136 -16.988 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.397 1.000 -17.952 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.050 1.331 -18.480 1.00 0.00 H new ATOM 768 N CYS A 50 -3.622 0.665 -8.842 1.00 0.00 N ATOM 769 CA CYS A 50 -3.900 1.251 -7.535 1.00 0.00 C ATOM 770 C CYS A 50 -3.762 0.208 -6.431 1.00 0.00 C ATOM 771 O CYS A 50 -3.946 -0.987 -6.665 1.00 0.00 O ATOM 772 CB CYS A 50 -5.305 1.854 -7.512 1.00 0.00 C ATOM 773 SG CYS A 50 -5.517 3.276 -8.607 1.00 0.00 S ATOM 0 H CYS A 50 -4.071 -0.236 -9.004 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.171 2.041 -7.356 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.024 1.084 -7.792 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.542 2.156 -6.492 1.00 0.00 H new ATOM 0 HG CYS A 50 -5.492 2.878 -9.844 1.00 0.00 H new ATOM 779 N LEU A 51 -3.435 0.667 -5.228 1.00 0.00 N ATOM 780 CA LEU A 51 -3.271 -0.226 -4.087 1.00 0.00 C ATOM 781 C LEU A 51 -4.478 -0.150 -3.157 1.00 0.00 C ATOM 782 O LEU A 51 -4.935 0.938 -2.804 1.00 0.00 O ATOM 783 CB LEU A 51 -1.997 0.127 -3.317 1.00 0.00 C ATOM 784 CG LEU A 51 -1.366 -1.007 -2.508 1.00 0.00 C ATOM 785 CD1 LEU A 51 0.088 -0.692 -2.191 1.00 0.00 C ATOM 786 CD2 LEU A 51 -2.152 -1.249 -1.227 1.00 0.00 C ATOM 0 H LEU A 51 -3.278 1.653 -5.018 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.190 -1.245 -4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.257 0.495 -4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.223 0.949 -2.638 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.397 -1.917 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.520 -1.510 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.644 -0.569 -3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.143 0.229 -1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.689 -2.059 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.152 -0.341 -0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.178 -1.520 -1.475 1.00 0.00 H new ATOM 798 N PHE A 52 -4.988 -1.311 -2.762 1.00 0.00 N ATOM 799 CA PHE A 52 -6.141 -1.376 -1.871 1.00 0.00 C ATOM 800 C PHE A 52 -5.884 -2.342 -0.718 1.00 0.00 C ATOM 801 O PHE A 52 -5.654 -3.533 -0.931 1.00 0.00 O ATOM 802 CB PHE A 52 -7.387 -1.810 -2.647 1.00 0.00 C ATOM 803 CG PHE A 52 -7.614 -1.021 -3.905 1.00 0.00 C ATOM 804 CD1 PHE A 52 -7.822 0.348 -3.852 1.00 0.00 C ATOM 805 CD2 PHE A 52 -7.621 -1.649 -5.140 1.00 0.00 C ATOM 806 CE1 PHE A 52 -8.031 1.076 -5.008 1.00 0.00 C ATOM 807 CE2 PHE A 52 -7.829 -0.926 -6.299 1.00 0.00 C ATOM 808 CZ PHE A 52 -8.036 0.438 -6.233 1.00 0.00 C ATOM 0 H PHE A 52 -4.622 -2.220 -3.044 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.306 -0.381 -1.458 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.298 -2.866 -2.901 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.260 -1.710 -2.002 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.821 0.852 -2.897 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.462 -2.716 -5.197 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.190 2.143 -4.954 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.830 -1.427 -7.256 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.201 1.005 -7.137 1.00 0.00 H new ATOM 818 N TYR A 53 -5.926 -1.821 0.503 1.00 0.00 N ATOM 819 CA TYR A 53 -5.695 -2.635 1.690 1.00 0.00 C ATOM 820 C TYR A 53 -7.002 -2.905 2.428 1.00 0.00 C ATOM 821 O TYR A 53 -7.649 -1.982 2.925 1.00 0.00 O ATOM 822 CB TYR A 53 -4.702 -1.941 2.624 1.00 0.00 C ATOM 823 CG TYR A 53 -5.218 -0.643 3.200 1.00 0.00 C ATOM 824 CD1 TYR A 53 -5.931 -0.624 4.393 1.00 0.00 C ATOM 825 CD2 TYR A 53 -4.995 0.566 2.552 1.00 0.00 C ATOM 826 CE1 TYR A 53 -6.405 0.560 4.923 1.00 0.00 C ATOM 827 CE2 TYR A 53 -5.464 1.755 3.075 1.00 0.00 C ATOM 828 CZ TYR A 53 -6.169 1.747 4.261 1.00 0.00 C ATOM 829 OH TYR A 53 -6.639 2.929 4.785 1.00 0.00 O ATOM 0 H TYR A 53 -6.118 -0.838 0.697 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.276 -3.589 1.370 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.452 -2.617 3.441 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.779 -1.745 2.078 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.118 -1.551 4.915 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.445 0.576 1.623 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.958 0.557 5.851 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.280 2.686 2.559 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.195 3.682 4.343 1.00 0.00 H new ATOM 839 N TYR A 54 -7.384 -4.175 2.497 1.00 0.00 N ATOM 840 CA TYR A 54 -8.615 -4.568 3.173 1.00 0.00 C ATOM 841 C TYR A 54 -8.316 -5.161 4.546 1.00 0.00 C ATOM 842 O TYR A 54 -7.446 -6.020 4.690 1.00 0.00 O ATOM 843 CB TYR A 54 -9.386 -5.580 2.324 1.00 0.00 C ATOM 844 CG TYR A 54 -9.726 -5.076 0.940 1.00 0.00 C ATOM 845 CD1 TYR A 54 -8.805 -5.162 -0.097 1.00 0.00 C ATOM 846 CD2 TYR A 54 -10.967 -4.513 0.669 1.00 0.00 C ATOM 847 CE1 TYR A 54 -9.111 -4.702 -1.364 1.00 0.00 C ATOM 848 CE2 TYR A 54 -11.282 -4.052 -0.595 1.00 0.00 C ATOM 849 CZ TYR A 54 -10.350 -4.149 -1.607 1.00 0.00 C ATOM 850 OH TYR A 54 -10.660 -3.689 -2.867 1.00 0.00 O ATOM 0 H TYR A 54 -6.859 -4.951 2.093 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.227 -3.676 3.308 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.795 -6.491 2.234 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.308 -5.847 2.841 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.834 -5.596 0.090 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.698 -4.434 1.460 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.384 -4.775 -2.159 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.252 -3.618 -0.789 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.628 -3.554 -2.937 1.00 0.00 H new ATOM 860 N LYS A 55 -9.046 -4.697 5.555 1.00 0.00 N ATOM 861 CA LYS A 55 -8.863 -5.180 6.918 1.00 0.00 C ATOM 862 C LYS A 55 -8.555 -6.674 6.929 1.00 0.00 C ATOM 863 O LYS A 55 -7.708 -7.137 7.693 1.00 0.00 O ATOM 864 CB LYS A 55 -10.116 -4.901 7.752 1.00 0.00 C ATOM 865 CG LYS A 55 -11.413 -5.148 7.002 1.00 0.00 C ATOM 866 CD LYS A 55 -11.928 -6.560 7.227 1.00 0.00 C ATOM 867 CE LYS A 55 -13.446 -6.618 7.156 1.00 0.00 C ATOM 868 NZ LYS A 55 -14.075 -6.304 8.469 1.00 0.00 N ATOM 0 H LYS A 55 -9.771 -3.986 5.454 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.017 -4.649 7.355 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.096 -5.528 8.643 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.094 -3.865 8.091 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.165 -4.429 7.328 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.255 -4.983 5.936 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.502 -7.227 6.478 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.594 -6.919 8.201 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.802 -5.913 6.405 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.757 -7.611 6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.110 -6.354 8.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.756 -6.992 9.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.799 -5.346 8.766 1.00 0.00 H new ATOM 882 N ASP A 56 -9.246 -7.422 6.076 1.00 0.00 N ATOM 883 CA ASP A 56 -9.044 -8.863 5.985 1.00 0.00 C ATOM 884 C ASP A 56 -9.187 -9.343 4.544 1.00 0.00 C ATOM 885 O ASP A 56 -9.394 -8.543 3.632 1.00 0.00 O ATOM 886 CB ASP A 56 -10.043 -9.597 6.882 1.00 0.00 C ATOM 887 CG ASP A 56 -9.677 -9.509 8.350 1.00 0.00 C ATOM 888 OD1 ASP A 56 -8.468 -9.455 8.658 1.00 0.00 O ATOM 889 OD2 ASP A 56 -10.600 -9.492 9.191 1.00 0.00 O ATOM 0 H ASP A 56 -9.951 -7.054 5.437 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.032 -9.085 6.323 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.038 -9.177 6.733 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.092 -10.645 6.585 1.00 0.00 H new ATOM 894 N GLU A 57 -9.075 -10.653 4.348 1.00 0.00 N ATOM 895 CA GLU A 57 -9.190 -11.238 3.017 1.00 0.00 C ATOM 896 C GLU A 57 -10.654 -11.379 2.609 1.00 0.00 C ATOM 897 O GLU A 57 -10.974 -12.037 1.619 1.00 0.00 O ATOM 898 CB GLU A 57 -8.503 -12.604 2.975 1.00 0.00 C ATOM 899 CG GLU A 57 -9.261 -13.690 3.720 1.00 0.00 C ATOM 900 CD GLU A 57 -8.940 -13.714 5.201 1.00 0.00 C ATOM 901 OE1 GLU A 57 -7.780 -14.019 5.551 1.00 0.00 O ATOM 902 OE2 GLU A 57 -9.847 -13.429 6.011 1.00 0.00 O ATOM 0 H GLU A 57 -8.905 -11.329 5.093 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.697 -10.570 2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.379 -12.907 1.935 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.504 -12.512 3.401 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.332 -13.537 3.587 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.021 -14.660 3.284 1.00 0.00 H new ATOM 909 N LYS A 58 -11.539 -10.757 3.381 1.00 0.00 N ATOM 910 CA LYS A 58 -12.969 -10.812 3.102 1.00 0.00 C ATOM 911 C LYS A 58 -13.352 -9.804 2.024 1.00 0.00 C ATOM 912 O LYS A 58 -14.401 -9.926 1.392 1.00 0.00 O ATOM 913 CB LYS A 58 -13.769 -10.539 4.378 1.00 0.00 C ATOM 914 CG LYS A 58 -13.664 -11.647 5.411 1.00 0.00 C ATOM 915 CD LYS A 58 -14.881 -11.678 6.321 1.00 0.00 C ATOM 916 CE LYS A 58 -14.711 -10.747 7.511 1.00 0.00 C ATOM 917 NZ LYS A 58 -13.909 -11.377 8.597 1.00 0.00 N ATOM 0 H LYS A 58 -11.291 -10.209 4.205 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.205 -11.812 2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.422 -9.606 4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.817 -10.396 4.116 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.561 -12.608 4.906 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.764 -11.504 6.010 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.767 -11.389 5.755 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.046 -12.696 6.675 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.224 -9.828 7.186 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.691 -10.469 7.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.815 -10.711 9.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.386 -12.241 8.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.965 -11.619 8.235 1.00 0.00 H new ATOM 931 N GLU A 59 -12.494 -8.809 1.818 1.00 0.00 N ATOM 932 CA GLU A 59 -12.744 -7.781 0.814 1.00 0.00 C ATOM 933 C GLU A 59 -14.157 -7.222 0.949 1.00 0.00 C ATOM 934 O GLU A 59 -14.881 -7.093 -0.038 1.00 0.00 O ATOM 935 CB GLU A 59 -12.540 -8.349 -0.592 1.00 0.00 C ATOM 936 CG GLU A 59 -11.080 -8.473 -0.993 1.00 0.00 C ATOM 937 CD GLU A 59 -10.902 -8.721 -2.478 1.00 0.00 C ATOM 938 OE1 GLU A 59 -11.457 -9.719 -2.983 1.00 0.00 O ATOM 939 OE2 GLU A 59 -10.207 -7.918 -3.135 1.00 0.00 O ATOM 0 H GLU A 59 -11.621 -8.693 2.332 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.034 -6.970 0.976 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.008 -9.332 -0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.052 -7.709 -1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.552 -7.561 -0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.622 -9.289 -0.435 1.00 0.00 H new ATOM 946 N GLU A 60 -14.542 -6.891 2.178 1.00 0.00 N ATOM 947 CA GLU A 60 -15.869 -6.347 2.442 1.00 0.00 C ATOM 948 C GLU A 60 -15.982 -4.915 1.926 1.00 0.00 C ATOM 949 O GLU A 60 -16.876 -4.596 1.142 1.00 0.00 O ATOM 950 CB GLU A 60 -16.171 -6.385 3.941 1.00 0.00 C ATOM 951 CG GLU A 60 -16.604 -7.754 4.440 1.00 0.00 C ATOM 952 CD GLU A 60 -17.512 -7.673 5.652 1.00 0.00 C ATOM 953 OE1 GLU A 60 -18.345 -6.745 5.708 1.00 0.00 O ATOM 954 OE2 GLU A 60 -17.389 -8.539 6.543 1.00 0.00 O ATOM 0 H GLU A 60 -13.954 -6.990 3.006 1.00 0.00 H new ATOM 0 HA GLU A 60 -16.598 -6.964 1.916 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.283 -6.072 4.490 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.955 -5.662 4.164 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -17.120 -8.282 3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.721 -8.341 4.691 1.00 0.00 H new ATOM 961 N SER A 61 -15.070 -4.058 2.372 1.00 0.00 N ATOM 962 CA SER A 61 -15.069 -2.659 1.959 1.00 0.00 C ATOM 963 C SER A 61 -13.660 -2.077 2.013 1.00 0.00 C ATOM 964 O SER A 61 -12.906 -2.335 2.952 1.00 0.00 O ATOM 965 CB SER A 61 -16.005 -1.842 2.852 1.00 0.00 C ATOM 966 OG SER A 61 -17.359 -2.034 2.483 1.00 0.00 O ATOM 0 H SER A 61 -14.322 -4.307 3.019 1.00 0.00 H new ATOM 0 HA SER A 61 -15.424 -2.609 0.930 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.864 -2.132 3.893 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.751 -0.784 2.779 1.00 0.00 H new ATOM 0 HG SER A 61 -17.433 -2.826 1.911 1.00 0.00 H new ATOM 972 N ILE A 62 -13.311 -1.292 1.000 1.00 0.00 N ATOM 973 CA ILE A 62 -11.994 -0.673 0.932 1.00 0.00 C ATOM 974 C ILE A 62 -11.844 0.418 1.987 1.00 0.00 C ATOM 975 O ILE A 62 -12.565 1.416 1.970 1.00 0.00 O ATOM 976 CB ILE A 62 -11.728 -0.066 -0.459 1.00 0.00 C ATOM 977 CG1 ILE A 62 -11.727 -1.163 -1.526 1.00 0.00 C ATOM 978 CG2 ILE A 62 -10.406 0.687 -0.464 1.00 0.00 C ATOM 979 CD1 ILE A 62 -11.675 -0.630 -2.940 1.00 0.00 C ATOM 0 H ILE A 62 -13.923 -1.070 0.215 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.265 -1.461 1.121 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.526 0.639 -0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -10.871 -1.818 -1.361 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.623 -1.773 -1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.232 1.110 -1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.442 1.490 0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.596 0.002 -0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.677 -1.463 -3.643 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.544 0.002 -3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.766 -0.044 -3.075 1.00 0.00 H new ATOM 991 N LEU A 63 -10.902 0.222 2.903 1.00 0.00 N ATOM 992 CA LEU A 63 -10.654 1.190 3.965 1.00 0.00 C ATOM 993 C LEU A 63 -9.931 2.420 3.425 1.00 0.00 C ATOM 994 O LEU A 63 -10.202 3.545 3.841 1.00 0.00 O ATOM 995 CB LEU A 63 -9.830 0.550 5.084 1.00 0.00 C ATOM 996 CG LEU A 63 -10.141 -0.914 5.393 1.00 0.00 C ATOM 997 CD1 LEU A 63 -9.205 -1.444 6.468 1.00 0.00 C ATOM 998 CD2 LEU A 63 -11.593 -1.072 5.822 1.00 0.00 C ATOM 0 H LEU A 63 -10.297 -0.599 2.931 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.617 1.505 4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.775 0.629 4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.977 1.132 5.994 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.985 -1.497 4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.442 -2.488 6.674 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.174 -1.367 6.123 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.327 -0.857 7.378 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.797 -2.121 6.038 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.775 -0.475 6.716 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.248 -0.733 5.020 1.00 0.00 H new ATOM 1010 N GLY A 64 -9.010 2.196 2.492 1.00 0.00 N ATOM 1011 CA GLY A 64 -8.264 3.295 1.908 1.00 0.00 C ATOM 1012 C GLY A 64 -7.503 2.882 0.663 1.00 0.00 C ATOM 1013 O GLY A 64 -6.994 1.765 0.581 1.00 0.00 O ATOM 0 H GLY A 64 -8.768 1.273 2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.950 4.104 1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.563 3.687 2.645 1.00 0.00 H new ATOM 1017 N SER A 65 -7.427 3.786 -0.309 1.00 0.00 N ATOM 1018 CA SER A 65 -6.728 3.508 -1.558 1.00 0.00 C ATOM 1019 C SER A 65 -5.530 4.437 -1.728 1.00 0.00 C ATOM 1020 O SER A 65 -5.614 5.634 -1.452 1.00 0.00 O ATOM 1021 CB SER A 65 -7.680 3.663 -2.745 1.00 0.00 C ATOM 1022 OG SER A 65 -8.840 2.867 -2.576 1.00 0.00 O ATOM 0 H SER A 65 -7.841 4.717 -0.255 1.00 0.00 H new ATOM 0 HA SER A 65 -6.367 2.480 -1.523 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.966 4.709 -2.852 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.169 3.377 -3.664 1.00 0.00 H new ATOM 0 HG SER A 65 -8.840 2.144 -3.238 1.00 0.00 H new ATOM 1028 N ILE A 66 -4.415 3.876 -2.184 1.00 0.00 N ATOM 1029 CA ILE A 66 -3.199 4.653 -2.392 1.00 0.00 C ATOM 1030 C ILE A 66 -2.764 4.612 -3.853 1.00 0.00 C ATOM 1031 O ILE A 66 -2.394 3.566 -4.387 1.00 0.00 O ATOM 1032 CB ILE A 66 -2.046 4.141 -1.509 1.00 0.00 C ATOM 1033 CG1 ILE A 66 -2.438 4.205 -0.032 1.00 0.00 C ATOM 1034 CG2 ILE A 66 -0.784 4.952 -1.764 1.00 0.00 C ATOM 1035 CD1 ILE A 66 -1.565 3.353 0.863 1.00 0.00 C ATOM 0 H ILE A 66 -4.328 2.887 -2.416 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.429 5.681 -2.113 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.845 3.101 -1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.388 5.241 0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.475 3.885 0.075 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.022 4.579 -1.133 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.497 4.859 -2.812 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.972 6.000 -1.531 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.901 3.447 1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.634 2.310 0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.530 3.687 0.786 1.00 0.00 H new ATOM 1047 N PRO A 67 -2.806 5.777 -4.516 1.00 0.00 N ATOM 1048 CA PRO A 67 -2.416 5.901 -5.924 1.00 0.00 C ATOM 1049 C PRO A 67 -0.915 5.726 -6.128 1.00 0.00 C ATOM 1050 O PRO A 67 -0.143 6.672 -5.966 1.00 0.00 O ATOM 1051 CB PRO A 67 -2.843 7.325 -6.286 1.00 0.00 C ATOM 1052 CG PRO A 67 -2.836 8.063 -4.992 1.00 0.00 C ATOM 1053 CD PRO A 67 -3.236 7.063 -3.942 1.00 0.00 C ATOM 0 HA PRO A 67 -2.878 5.132 -6.544 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.155 7.775 -7.002 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.832 7.337 -6.744 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.849 8.474 -4.783 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.532 8.902 -5.017 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.745 7.262 -2.989 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.310 7.082 -3.757 1.00 0.00 H new ATOM 1061 N LEU A 68 -0.509 4.513 -6.484 1.00 0.00 N ATOM 1062 CA LEU A 68 0.901 4.215 -6.711 1.00 0.00 C ATOM 1063 C LEU A 68 1.366 4.771 -8.053 1.00 0.00 C ATOM 1064 O LEU A 68 2.564 4.940 -8.286 1.00 0.00 O ATOM 1065 CB LEU A 68 1.138 2.704 -6.662 1.00 0.00 C ATOM 1066 CG LEU A 68 0.890 2.029 -5.312 1.00 0.00 C ATOM 1067 CD1 LEU A 68 0.804 0.520 -5.478 1.00 0.00 C ATOM 1068 CD2 LEU A 68 1.987 2.397 -4.323 1.00 0.00 C ATOM 0 H LEU A 68 -1.135 3.720 -6.622 1.00 0.00 H new ATOM 0 HA LEU A 68 1.480 4.693 -5.921 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.496 2.231 -7.405 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.168 2.508 -6.960 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.062 2.385 -4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.627 0.057 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.017 0.274 -6.152 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.740 0.146 -5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.795 1.908 -3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.951 2.069 -4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.001 3.478 -4.181 1.00 0.00 H new ATOM 1080 N LEU A 69 0.412 5.054 -8.932 1.00 0.00 N ATOM 1081 CA LEU A 69 0.723 5.594 -10.252 1.00 0.00 C ATOM 1082 C LEU A 69 1.466 6.921 -10.136 1.00 0.00 C ATOM 1083 O LEU A 69 1.970 7.450 -11.126 1.00 0.00 O ATOM 1084 CB LEU A 69 -0.560 5.784 -11.062 1.00 0.00 C ATOM 1085 CG LEU A 69 -1.234 7.151 -10.941 1.00 0.00 C ATOM 1086 CD1 LEU A 69 -2.588 7.142 -11.634 1.00 0.00 C ATOM 1087 CD2 LEU A 69 -1.384 7.545 -9.479 1.00 0.00 C ATOM 0 H LEU A 69 -0.584 4.919 -8.756 1.00 0.00 H new ATOM 0 HA LEU A 69 1.368 4.881 -10.766 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.332 5.605 -12.113 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.275 5.020 -10.757 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.602 7.891 -11.433 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.053 8.123 -11.537 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.455 6.906 -12.690 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.228 6.390 -11.172 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.866 8.521 -9.413 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.994 6.803 -8.963 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.400 7.594 -9.012 1.00 0.00 H new ATOM 1099 N SER A 70 1.532 7.452 -8.919 1.00 0.00 N ATOM 1100 CA SER A 70 2.213 8.718 -8.674 1.00 0.00 C ATOM 1101 C SER A 70 3.198 8.590 -7.515 1.00 0.00 C ATOM 1102 O SER A 70 3.339 9.503 -6.702 1.00 0.00 O ATOM 1103 CB SER A 70 1.194 9.819 -8.372 1.00 0.00 C ATOM 1104 OG SER A 70 0.172 9.346 -7.512 1.00 0.00 O ATOM 0 H SER A 70 1.122 7.025 -8.088 1.00 0.00 H new ATOM 0 HA SER A 70 2.769 8.983 -9.573 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.698 10.668 -7.911 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.754 10.177 -9.303 1.00 0.00 H new ATOM 0 HG SER A 70 -0.465 10.069 -7.333 1.00 0.00 H new ATOM 1110 N PHE A 71 3.876 7.450 -7.448 1.00 0.00 N ATOM 1111 CA PHE A 71 4.848 7.200 -6.389 1.00 0.00 C ATOM 1112 C PHE A 71 6.076 6.478 -6.937 1.00 0.00 C ATOM 1113 O PHE A 71 6.033 5.891 -8.018 1.00 0.00 O ATOM 1114 CB PHE A 71 4.212 6.372 -5.270 1.00 0.00 C ATOM 1115 CG PHE A 71 3.467 7.199 -4.262 1.00 0.00 C ATOM 1116 CD1 PHE A 71 2.272 7.814 -4.599 1.00 0.00 C ATOM 1117 CD2 PHE A 71 3.960 7.361 -2.977 1.00 0.00 C ATOM 1118 CE1 PHE A 71 1.584 8.577 -3.674 1.00 0.00 C ATOM 1119 CE2 PHE A 71 3.277 8.122 -2.048 1.00 0.00 C ATOM 1120 CZ PHE A 71 2.086 8.730 -2.396 1.00 0.00 C ATOM 0 H PHE A 71 3.771 6.684 -8.114 1.00 0.00 H new ATOM 0 HA PHE A 71 5.164 8.162 -5.985 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.528 5.646 -5.710 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.991 5.806 -4.759 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.873 7.696 -5.596 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.889 6.887 -2.698 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.655 9.053 -3.950 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.674 8.242 -1.051 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.549 9.323 -1.671 1.00 0.00 H new ATOM 1130 N ARG A 72 7.168 6.526 -6.182 1.00 0.00 N ATOM 1131 CA ARG A 72 8.409 5.879 -6.591 1.00 0.00 C ATOM 1132 C ARG A 72 8.853 4.850 -5.555 1.00 0.00 C ATOM 1133 O ARG A 72 9.622 5.162 -4.646 1.00 0.00 O ATOM 1134 CB ARG A 72 9.510 6.921 -6.796 1.00 0.00 C ATOM 1135 CG ARG A 72 10.541 6.521 -7.838 1.00 0.00 C ATOM 1136 CD ARG A 72 11.705 7.500 -7.874 1.00 0.00 C ATOM 1137 NE ARG A 72 11.328 8.776 -8.475 1.00 0.00 N ATOM 1138 CZ ARG A 72 12.202 9.725 -8.795 1.00 0.00 C ATOM 1139 NH1 ARG A 72 13.496 9.541 -8.572 1.00 0.00 N ATOM 1140 NH2 ARG A 72 11.782 10.860 -9.339 1.00 0.00 N ATOM 0 H ARG A 72 7.219 7.006 -5.284 1.00 0.00 H new ATOM 0 HA ARG A 72 8.227 5.364 -7.534 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.054 7.866 -7.093 1.00 0.00 H new ATOM 0 HB3 ARG A 72 10.015 7.095 -5.846 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.913 5.520 -7.618 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.070 6.478 -8.820 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.067 7.670 -6.860 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.529 7.063 -8.438 1.00 0.00 H new ATOM 0 HE ARG A 72 10.340 8.949 -8.659 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.823 8.670 -8.154 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.165 10.271 -8.818 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.787 11.005 -9.512 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.454 11.587 -9.584 1.00 0.00 H new ATOM 1154 N VAL A 73 8.363 3.623 -5.700 1.00 0.00 N ATOM 1155 CA VAL A 73 8.710 2.548 -4.777 1.00 0.00 C ATOM 1156 C VAL A 73 10.191 2.200 -4.871 1.00 0.00 C ATOM 1157 O VAL A 73 10.778 2.224 -5.952 1.00 0.00 O ATOM 1158 CB VAL A 73 7.877 1.282 -5.053 1.00 0.00 C ATOM 1159 CG1 VAL A 73 7.965 0.319 -3.879 1.00 0.00 C ATOM 1160 CG2 VAL A 73 6.430 1.649 -5.345 1.00 0.00 C ATOM 0 H VAL A 73 7.725 3.348 -6.447 1.00 0.00 H new ATOM 0 HA VAL A 73 8.488 2.908 -3.772 1.00 0.00 H new ATOM 0 HB VAL A 73 8.285 0.784 -5.932 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.370 -0.569 -4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.004 0.031 -3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.583 0.804 -2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.856 0.742 -5.538 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.007 2.171 -4.487 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.389 2.297 -6.220 1.00 0.00 H new ATOM 1170 N ALA A 74 10.790 1.876 -3.730 1.00 0.00 N ATOM 1171 CA ALA A 74 12.203 1.520 -3.683 1.00 0.00 C ATOM 1172 C ALA A 74 12.592 0.998 -2.304 1.00 0.00 C ATOM 1173 O ALA A 74 12.258 1.602 -1.284 1.00 0.00 O ATOM 1174 CB ALA A 74 13.062 2.719 -4.057 1.00 0.00 C ATOM 0 H ALA A 74 10.319 1.853 -2.826 1.00 0.00 H new ATOM 0 HA ALA A 74 12.376 0.723 -4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.115 2.439 -4.018 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.811 3.046 -5.066 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.877 3.532 -3.355 1.00 0.00 H new ATOM 1180 N ALA A 75 13.299 -0.127 -2.280 1.00 0.00 N ATOM 1181 CA ALA A 75 13.735 -0.729 -1.026 1.00 0.00 C ATOM 1182 C ALA A 75 14.215 0.335 -0.044 1.00 0.00 C ATOM 1183 O ALA A 75 14.611 1.430 -0.444 1.00 0.00 O ATOM 1184 CB ALA A 75 14.835 -1.747 -1.284 1.00 0.00 C ATOM 0 H ALA A 75 13.582 -0.640 -3.115 1.00 0.00 H new ATOM 0 HA ALA A 75 12.881 -1.239 -0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.151 -2.189 -0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.459 -2.530 -1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.685 -1.253 -1.756 1.00 0.00 H new ATOM 1190 N VAL A 76 14.177 0.006 1.243 1.00 0.00 N ATOM 1191 CA VAL A 76 14.608 0.933 2.283 1.00 0.00 C ATOM 1192 C VAL A 76 16.121 1.122 2.256 1.00 0.00 C ATOM 1193 O VAL A 76 16.842 0.349 1.626 1.00 0.00 O ATOM 1194 CB VAL A 76 14.188 0.443 3.681 1.00 0.00 C ATOM 1195 CG1 VAL A 76 12.793 0.942 4.025 1.00 0.00 C ATOM 1196 CG2 VAL A 76 14.253 -1.075 3.756 1.00 0.00 C ATOM 0 H VAL A 76 13.852 -0.896 1.591 1.00 0.00 H new ATOM 0 HA VAL A 76 14.121 1.887 2.080 1.00 0.00 H new ATOM 0 HB VAL A 76 14.885 0.850 4.414 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.513 0.586 5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.784 2.032 4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.081 0.566 3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.953 -1.403 4.751 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.581 -1.505 3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.272 -1.406 3.557 1.00 0.00 H new ATOM 1206 N GLN A 77 16.594 2.156 2.944 1.00 0.00 N ATOM 1207 CA GLN A 77 18.022 2.447 2.999 1.00 0.00 C ATOM 1208 C GLN A 77 18.593 2.114 4.373 1.00 0.00 C ATOM 1209 O GLN A 77 17.869 2.005 5.364 1.00 0.00 O ATOM 1210 CB GLN A 77 18.276 3.920 2.672 1.00 0.00 C ATOM 1211 CG GLN A 77 18.429 4.195 1.184 1.00 0.00 C ATOM 1212 CD GLN A 77 18.857 5.620 0.895 1.00 0.00 C ATOM 1213 OE1 GLN A 77 20.028 5.885 0.621 1.00 0.00 O ATOM 1214 NE2 GLN A 77 17.909 6.547 0.955 1.00 0.00 N ATOM 0 H GLN A 77 16.010 2.806 3.471 1.00 0.00 H new ATOM 0 HA GLN A 77 18.523 1.825 2.257 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.451 4.517 3.061 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.178 4.248 3.188 1.00 0.00 H new ATOM 0 HG2 GLN A 77 19.163 3.507 0.765 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.482 3.995 0.682 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.951 6.283 1.186 1.00 0.00 H new ATOM 0 HE22 GLN A 77 18.138 7.524 0.770 1.00 0.00 H new ATOM 1223 N PRO A 78 19.922 1.947 4.437 1.00 0.00 N ATOM 1224 CA PRO A 78 20.620 1.623 5.685 1.00 0.00 C ATOM 1225 C PRO A 78 20.621 2.789 6.668 1.00 0.00 C ATOM 1226 O PRO A 78 20.949 2.623 7.843 1.00 0.00 O ATOM 1227 CB PRO A 78 22.046 1.312 5.224 1.00 0.00 C ATOM 1228 CG PRO A 78 22.203 2.062 3.946 1.00 0.00 C ATOM 1229 CD PRO A 78 20.846 2.061 3.297 1.00 0.00 C ATOM 0 HA PRO A 78 20.141 0.802 6.218 1.00 0.00 H new ATOM 0 HB2 PRO A 78 22.780 1.632 5.964 1.00 0.00 H new ATOM 0 HB3 PRO A 78 22.189 0.242 5.075 1.00 0.00 H new ATOM 0 HG2 PRO A 78 22.547 3.080 4.130 1.00 0.00 H new ATOM 0 HG3 PRO A 78 22.944 1.587 3.303 1.00 0.00 H new ATOM 0 HD2 PRO A 78 20.672 2.975 2.729 1.00 0.00 H new ATOM 0 HD3 PRO A 78 20.733 1.228 2.603 1.00 0.00 H new ATOM 1237 N SER A 79 20.251 3.969 6.180 1.00 0.00 N ATOM 1238 CA SER A 79 20.212 5.163 7.016 1.00 0.00 C ATOM 1239 C SER A 79 18.801 5.418 7.534 1.00 0.00 C ATOM 1240 O SER A 79 18.591 6.260 8.408 1.00 0.00 O ATOM 1241 CB SER A 79 20.705 6.379 6.227 1.00 0.00 C ATOM 1242 OG SER A 79 19.862 6.644 5.120 1.00 0.00 O ATOM 0 H SER A 79 19.974 4.123 5.211 1.00 0.00 H new ATOM 0 HA SER A 79 20.870 5.000 7.870 1.00 0.00 H new ATOM 0 HB2 SER A 79 20.738 7.251 6.880 1.00 0.00 H new ATOM 0 HB3 SER A 79 21.723 6.203 5.879 1.00 0.00 H new ATOM 0 HG SER A 79 20.197 7.426 4.633 1.00 0.00 H new ATOM 1248 N ASP A 80 17.836 4.684 6.990 1.00 0.00 N ATOM 1249 CA ASP A 80 16.443 4.829 7.397 1.00 0.00 C ATOM 1250 C ASP A 80 16.255 4.402 8.850 1.00 0.00 C ATOM 1251 O ASP A 80 17.120 3.749 9.432 1.00 0.00 O ATOM 1252 CB ASP A 80 15.535 4.000 6.488 1.00 0.00 C ATOM 1253 CG ASP A 80 14.132 4.568 6.397 1.00 0.00 C ATOM 1254 OD1 ASP A 80 13.525 4.819 7.459 1.00 0.00 O ATOM 1255 OD2 ASP A 80 13.642 4.760 5.265 1.00 0.00 O ATOM 0 H ASP A 80 17.993 3.983 6.266 1.00 0.00 H new ATOM 0 HA ASP A 80 16.171 5.881 7.307 1.00 0.00 H new ATOM 0 HB2 ASP A 80 15.970 3.953 5.490 1.00 0.00 H new ATOM 0 HB3 ASP A 80 15.486 2.978 6.863 1.00 0.00 H new ATOM 1260 N ASN A 81 15.119 4.777 9.429 1.00 0.00 N ATOM 1261 CA ASN A 81 14.818 4.435 10.814 1.00 0.00 C ATOM 1262 C ASN A 81 13.955 3.179 10.889 1.00 0.00 C ATOM 1263 O ASN A 81 13.091 3.058 11.758 1.00 0.00 O ATOM 1264 CB ASN A 81 14.105 5.599 11.506 1.00 0.00 C ATOM 1265 CG ASN A 81 14.382 5.643 12.996 1.00 0.00 C ATOM 1266 OD1 ASN A 81 15.166 6.467 13.469 1.00 0.00 O ATOM 1267 ND2 ASN A 81 13.740 4.754 13.744 1.00 0.00 N ATOM 0 H ASN A 81 14.392 5.318 8.960 1.00 0.00 H new ATOM 0 HA ASN A 81 15.760 4.239 11.326 1.00 0.00 H new ATOM 0 HB2 ASN A 81 14.423 6.538 11.052 1.00 0.00 H new ATOM 0 HB3 ASN A 81 13.031 5.513 11.341 1.00 0.00 H new ATOM 0 HD21 ASN A 81 13.887 4.735 14.753 1.00 0.00 H new ATOM 0 HD22 ASN A 81 13.099 4.090 13.310 1.00 0.00 H new ATOM 1274 N ILE A 82 14.196 2.247 9.973 1.00 0.00 N ATOM 1275 CA ILE A 82 13.442 1.000 9.936 1.00 0.00 C ATOM 1276 C ILE A 82 14.226 -0.136 10.586 1.00 0.00 C ATOM 1277 O ILE A 82 15.391 -0.364 10.261 1.00 0.00 O ATOM 1278 CB ILE A 82 13.084 0.601 8.493 1.00 0.00 C ATOM 1279 CG1 ILE A 82 12.515 1.802 7.735 1.00 0.00 C ATOM 1280 CG2 ILE A 82 12.090 -0.551 8.493 1.00 0.00 C ATOM 1281 CD1 ILE A 82 11.096 2.148 8.128 1.00 0.00 C ATOM 0 H ILE A 82 14.907 2.332 9.247 1.00 0.00 H new ATOM 0 HA ILE A 82 12.522 1.171 10.496 1.00 0.00 H new ATOM 0 HB ILE A 82 13.992 0.272 7.987 1.00 0.00 H new ATOM 0 HG12 ILE A 82 13.153 2.668 7.911 1.00 0.00 H new ATOM 0 HG13 ILE A 82 12.547 1.594 6.665 1.00 0.00 H new ATOM 0 HG21 ILE A 82 11.847 -0.822 7.466 1.00 0.00 H new ATOM 0 HG22 ILE A 82 12.529 -1.410 9.000 1.00 0.00 H new ATOM 0 HG23 ILE A 82 11.181 -0.248 9.013 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.758 3.009 7.551 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.445 1.297 7.926 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.061 2.388 9.191 1.00 0.00 H new ATOM 1293 N SER A 83 13.579 -0.845 11.504 1.00 0.00 N ATOM 1294 CA SER A 83 14.216 -1.956 12.201 1.00 0.00 C ATOM 1295 C SER A 83 13.895 -3.282 11.518 1.00 0.00 C ATOM 1296 O SER A 83 13.765 -4.316 12.173 1.00 0.00 O ATOM 1297 CB SER A 83 13.760 -1.999 13.661 1.00 0.00 C ATOM 1298 OG SER A 83 12.346 -1.982 13.755 1.00 0.00 O ATOM 0 H SER A 83 12.614 -0.670 11.783 1.00 0.00 H new ATOM 0 HA SER A 83 15.295 -1.802 12.169 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.149 -2.898 14.140 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.174 -1.146 14.200 1.00 0.00 H new ATOM 0 HG SER A 83 12.080 -2.012 14.698 1.00 0.00 H new ATOM 1304 N ARG A 84 13.767 -3.243 10.195 1.00 0.00 N ATOM 1305 CA ARG A 84 13.461 -4.440 9.422 1.00 0.00 C ATOM 1306 C ARG A 84 14.485 -4.646 8.309 1.00 0.00 C ATOM 1307 O ARG A 84 15.409 -3.850 8.146 1.00 0.00 O ATOM 1308 CB ARG A 84 12.056 -4.341 8.824 1.00 0.00 C ATOM 1309 CG ARG A 84 10.967 -4.116 9.861 1.00 0.00 C ATOM 1310 CD ARG A 84 9.625 -4.647 9.383 1.00 0.00 C ATOM 1311 NE ARG A 84 9.468 -6.071 9.665 1.00 0.00 N ATOM 1312 CZ ARG A 84 9.189 -6.555 10.870 1.00 0.00 C ATOM 1313 NH1 ARG A 84 9.036 -5.734 11.899 1.00 0.00 N ATOM 1314 NH2 ARG A 84 9.061 -7.864 11.047 1.00 0.00 N ATOM 0 H ARG A 84 13.871 -2.395 9.637 1.00 0.00 H new ATOM 0 HA ARG A 84 13.504 -5.297 10.095 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.034 -3.524 8.103 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.839 -5.257 8.274 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.243 -4.609 10.793 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.882 -3.051 10.076 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.822 -4.091 9.867 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.529 -4.477 8.311 1.00 0.00 H new ATOM 0 HE ARG A 84 9.579 -6.730 8.894 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.132 -4.727 11.767 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.822 -6.109 12.823 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.177 -8.499 10.257 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.847 -8.235 11.973 1.00 0.00 H new ATOM 1328 N LYS A 85 14.314 -5.721 7.547 1.00 0.00 N ATOM 1329 CA LYS A 85 15.222 -6.033 6.449 1.00 0.00 C ATOM 1330 C LYS A 85 14.531 -5.847 5.102 1.00 0.00 C ATOM 1331 O LYS A 85 14.795 -4.881 4.386 1.00 0.00 O ATOM 1332 CB LYS A 85 15.736 -7.469 6.578 1.00 0.00 C ATOM 1333 CG LYS A 85 16.967 -7.598 7.458 1.00 0.00 C ATOM 1334 CD LYS A 85 18.246 -7.445 6.653 1.00 0.00 C ATOM 1335 CE LYS A 85 18.637 -5.983 6.500 1.00 0.00 C ATOM 1336 NZ LYS A 85 20.033 -5.831 6.004 1.00 0.00 N ATOM 0 H LYS A 85 13.555 -6.391 7.670 1.00 0.00 H new ATOM 0 HA LYS A 85 16.066 -5.346 6.502 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.942 -8.095 6.985 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.968 -7.854 5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.936 -6.841 8.241 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.961 -8.569 7.953 1.00 0.00 H new ATOM 0 HD2 LYS A 85 19.053 -7.989 7.144 1.00 0.00 H new ATOM 0 HD3 LYS A 85 18.113 -7.892 5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 85 17.951 -5.494 5.809 1.00 0.00 H new ATOM 0 HE3 LYS A 85 18.536 -5.478 7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.261 -4.820 5.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 20.691 -6.275 6.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.124 -6.291 5.076 1.00 0.00 H new ATOM 1350 N HIS A 86 13.644 -6.778 4.764 1.00 0.00 N ATOM 1351 CA HIS A 86 12.914 -6.715 3.503 1.00 0.00 C ATOM 1352 C HIS A 86 11.760 -5.720 3.592 1.00 0.00 C ATOM 1353 O HIS A 86 10.613 -6.102 3.828 1.00 0.00 O ATOM 1354 CB HIS A 86 12.381 -8.099 3.128 1.00 0.00 C ATOM 1355 CG HIS A 86 13.223 -9.224 3.645 1.00 0.00 C ATOM 1356 ND1 HIS A 86 14.577 -9.323 3.404 1.00 0.00 N ATOM 1357 CD2 HIS A 86 12.896 -10.303 4.395 1.00 0.00 C ATOM 1358 CE1 HIS A 86 15.046 -10.415 3.982 1.00 0.00 C ATOM 1359 NE2 HIS A 86 14.046 -11.027 4.591 1.00 0.00 N ATOM 0 H HIS A 86 13.414 -7.584 5.345 1.00 0.00 H new ATOM 0 HA HIS A 86 13.603 -6.377 2.729 1.00 0.00 H new ATOM 0 HB2 HIS A 86 11.368 -8.206 3.515 1.00 0.00 H new ATOM 0 HB3 HIS A 86 12.317 -8.173 2.042 1.00 0.00 H new ATOM 0 HD2 HIS A 86 11.913 -10.548 4.769 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.072 -10.750 3.960 1.00 0.00 H new ATOM 0 HE2 HIS A 86 14.117 -11.896 5.121 1.00 0.00 H new ATOM 1368 N THR A 87 12.072 -4.442 3.404 1.00 0.00 N ATOM 1369 CA THR A 87 11.063 -3.392 3.465 1.00 0.00 C ATOM 1370 C THR A 87 11.165 -2.460 2.263 1.00 0.00 C ATOM 1371 O THR A 87 12.225 -2.338 1.648 1.00 0.00 O ATOM 1372 CB THR A 87 11.193 -2.562 4.756 1.00 0.00 C ATOM 1373 OG1 THR A 87 10.901 -3.380 5.895 1.00 0.00 O ATOM 1374 CG2 THR A 87 10.252 -1.367 4.729 1.00 0.00 C ATOM 0 H THR A 87 13.016 -4.109 3.208 1.00 0.00 H new ATOM 0 HA THR A 87 10.092 -3.887 3.456 1.00 0.00 H new ATOM 0 HB THR A 87 12.217 -2.196 4.825 1.00 0.00 H new ATOM 0 HG1 THR A 87 10.521 -2.825 6.608 1.00 0.00 H new ATOM 0 HG21 THR A 87 10.362 -0.796 5.651 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.495 -0.731 3.878 1.00 0.00 H new ATOM 0 HG23 THR A 87 9.223 -1.716 4.639 1.00 0.00 H new ATOM 1382 N PHE A 88 10.058 -1.803 1.933 1.00 0.00 N ATOM 1383 CA PHE A 88 10.024 -0.881 0.804 1.00 0.00 C ATOM 1384 C PHE A 88 9.088 0.290 1.087 1.00 0.00 C ATOM 1385 O PHE A 88 7.948 0.101 1.511 1.00 0.00 O ATOM 1386 CB PHE A 88 9.577 -1.611 -0.464 1.00 0.00 C ATOM 1387 CG PHE A 88 8.322 -2.416 -0.281 1.00 0.00 C ATOM 1388 CD1 PHE A 88 8.317 -3.544 0.524 1.00 0.00 C ATOM 1389 CD2 PHE A 88 7.146 -2.045 -0.915 1.00 0.00 C ATOM 1390 CE1 PHE A 88 7.164 -4.287 0.693 1.00 0.00 C ATOM 1391 CE2 PHE A 88 5.990 -2.784 -0.749 1.00 0.00 C ATOM 1392 CZ PHE A 88 5.999 -3.906 0.057 1.00 0.00 C ATOM 0 H PHE A 88 9.173 -1.892 2.432 1.00 0.00 H new ATOM 0 HA PHE A 88 11.031 -0.491 0.655 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.418 -0.881 -1.257 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.378 -2.272 -0.795 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.225 -3.846 1.025 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.133 -1.168 -1.546 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.174 -5.165 1.322 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.081 -2.485 -1.249 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.096 -4.484 0.189 1.00 0.00 H new ATOM 1402 N LYS A 89 9.578 1.502 0.848 1.00 0.00 N ATOM 1403 CA LYS A 89 8.788 2.706 1.076 1.00 0.00 C ATOM 1404 C LYS A 89 8.568 3.466 -0.228 1.00 0.00 C ATOM 1405 O LYS A 89 9.506 3.696 -0.990 1.00 0.00 O ATOM 1406 CB LYS A 89 9.483 3.612 2.095 1.00 0.00 C ATOM 1407 CG LYS A 89 10.990 3.432 2.142 1.00 0.00 C ATOM 1408 CD LYS A 89 11.693 4.715 2.551 1.00 0.00 C ATOM 1409 CE LYS A 89 12.095 5.541 1.339 1.00 0.00 C ATOM 1410 NZ LYS A 89 12.130 6.998 1.647 1.00 0.00 N ATOM 0 H LYS A 89 10.519 1.676 0.496 1.00 0.00 H new ATOM 0 HA LYS A 89 7.817 2.405 1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.257 4.652 1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.071 3.414 3.085 1.00 0.00 H new ATOM 0 HG2 LYS A 89 11.241 2.639 2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.350 3.115 1.163 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.036 5.303 3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 89 12.579 4.474 3.139 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.076 5.220 0.990 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.392 5.359 0.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.408 7.526 0.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 11.187 7.310 1.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 12.819 7.176 2.405 1.00 0.00 H new ATOM 1424 N ALA A 90 7.321 3.856 -0.477 1.00 0.00 N ATOM 1425 CA ALA A 90 6.979 4.593 -1.687 1.00 0.00 C ATOM 1426 C ALA A 90 6.674 6.054 -1.372 1.00 0.00 C ATOM 1427 O ALA A 90 5.701 6.359 -0.683 1.00 0.00 O ATOM 1428 CB ALA A 90 5.793 3.943 -2.383 1.00 0.00 C ATOM 0 H ALA A 90 6.532 3.674 0.143 1.00 0.00 H new ATOM 0 HA ALA A 90 7.839 4.564 -2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.548 4.504 -3.285 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.046 2.917 -2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.934 3.942 -1.712 1.00 0.00 H new ATOM 1434 N GLU A 91 7.513 6.951 -1.880 1.00 0.00 N ATOM 1435 CA GLU A 91 7.332 8.380 -1.650 1.00 0.00 C ATOM 1436 C GLU A 91 7.264 9.139 -2.972 1.00 0.00 C ATOM 1437 O GLU A 91 7.871 8.736 -3.965 1.00 0.00 O ATOM 1438 CB GLU A 91 8.474 8.929 -0.792 1.00 0.00 C ATOM 1439 CG GLU A 91 9.635 9.480 -1.604 1.00 0.00 C ATOM 1440 CD GLU A 91 10.363 8.403 -2.385 1.00 0.00 C ATOM 1441 OE1 GLU A 91 11.001 7.538 -1.749 1.00 0.00 O ATOM 1442 OE2 GLU A 91 10.296 8.426 -3.631 1.00 0.00 O ATOM 0 H GLU A 91 8.323 6.714 -2.453 1.00 0.00 H new ATOM 0 HA GLU A 91 6.389 8.521 -1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 91 8.086 9.718 -0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.841 8.136 -0.140 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.264 10.237 -2.295 1.00 0.00 H new ATOM 0 HG3 GLU A 91 10.338 9.977 -0.935 1.00 0.00 H new ATOM 1449 N HIS A 92 6.521 10.241 -2.977 1.00 0.00 N ATOM 1450 CA HIS A 92 6.372 11.058 -4.177 1.00 0.00 C ATOM 1451 C HIS A 92 6.683 12.522 -3.879 1.00 0.00 C ATOM 1452 O HIS A 92 5.787 13.307 -3.574 1.00 0.00 O ATOM 1453 CB HIS A 92 4.955 10.929 -4.735 1.00 0.00 C ATOM 1454 CG HIS A 92 4.642 11.923 -5.810 1.00 0.00 C ATOM 1455 ND1 HIS A 92 4.233 13.213 -5.547 1.00 0.00 N ATOM 1456 CD2 HIS A 92 4.681 11.811 -7.158 1.00 0.00 C ATOM 1457 CE1 HIS A 92 4.033 13.851 -6.686 1.00 0.00 C ATOM 1458 NE2 HIS A 92 4.299 13.022 -7.680 1.00 0.00 N ATOM 0 H HIS A 92 6.013 10.589 -2.164 1.00 0.00 H new ATOM 0 HA HIS A 92 7.081 10.698 -4.922 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.820 9.923 -5.131 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.240 11.050 -3.921 1.00 0.00 H new ATOM 0 HD1 HIS A 92 4.105 13.613 -4.617 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.961 10.932 -7.719 1.00 0.00 H new ATOM 0 HE1 HIS A 92 3.707 14.876 -6.788 1.00 0.00 H new ATOM 1467 N ALA A 93 7.960 12.880 -3.969 1.00 0.00 N ATOM 1468 CA ALA A 93 8.389 14.249 -3.711 1.00 0.00 C ATOM 1469 C ALA A 93 7.305 15.247 -4.104 1.00 0.00 C ATOM 1470 O ALA A 93 7.230 15.675 -5.255 1.00 0.00 O ATOM 1471 CB ALA A 93 9.680 14.547 -4.458 1.00 0.00 C ATOM 0 H ALA A 93 8.715 12.241 -4.219 1.00 0.00 H new ATOM 0 HA ALA A 93 8.570 14.352 -2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.989 15.573 -4.256 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.459 13.861 -4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.518 14.421 -5.529 1.00 0.00 H new ATOM 1477 N GLY A 94 6.467 15.615 -3.140 1.00 0.00 N ATOM 1478 CA GLY A 94 5.398 16.560 -3.406 1.00 0.00 C ATOM 1479 C GLY A 94 4.050 16.059 -2.928 1.00 0.00 C ATOM 1480 O GLY A 94 3.038 16.747 -3.069 1.00 0.00 O ATOM 0 H GLY A 94 6.509 15.275 -2.179 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.624 17.507 -2.917 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.350 16.758 -4.477 1.00 0.00 H new ATOM 1484 N VAL A 95 4.033 14.857 -2.361 1.00 0.00 N ATOM 1485 CA VAL A 95 2.799 14.265 -1.860 1.00 0.00 C ATOM 1486 C VAL A 95 2.983 13.721 -0.448 1.00 0.00 C ATOM 1487 O VAL A 95 2.558 14.341 0.527 1.00 0.00 O ATOM 1488 CB VAL A 95 2.310 13.127 -2.776 1.00 0.00 C ATOM 1489 CG1 VAL A 95 1.272 12.275 -2.063 1.00 0.00 C ATOM 1490 CG2 VAL A 95 1.749 13.692 -4.073 1.00 0.00 C ATOM 0 H VAL A 95 4.861 14.274 -2.237 1.00 0.00 H new ATOM 0 HA VAL A 95 2.051 15.058 -1.846 1.00 0.00 H new ATOM 0 HB VAL A 95 3.160 12.490 -3.021 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.939 11.477 -2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.712 11.841 -1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.420 12.896 -1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.408 12.875 -4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.911 14.352 -3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.526 14.255 -4.591 1.00 0.00 H new ATOM 1500 N ARG A 96 3.621 12.560 -0.345 1.00 0.00 N ATOM 1501 CA ARG A 96 3.861 11.932 0.948 1.00 0.00 C ATOM 1502 C ARG A 96 4.678 10.653 0.788 1.00 0.00 C ATOM 1503 O ARG A 96 4.818 10.126 -0.316 1.00 0.00 O ATOM 1504 CB ARG A 96 2.534 11.618 1.642 1.00 0.00 C ATOM 1505 CG ARG A 96 2.603 10.422 2.577 1.00 0.00 C ATOM 1506 CD ARG A 96 1.238 10.091 3.160 1.00 0.00 C ATOM 1507 NE ARG A 96 0.919 10.926 4.315 1.00 0.00 N ATOM 1508 CZ ARG A 96 1.414 10.719 5.530 1.00 0.00 C ATOM 1509 NH1 ARG A 96 2.247 9.710 5.747 1.00 0.00 N ATOM 1510 NH2 ARG A 96 1.077 11.522 6.531 1.00 0.00 N ATOM 0 H ARG A 96 3.981 12.035 -1.142 1.00 0.00 H new ATOM 0 HA ARG A 96 4.428 12.631 1.563 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.214 12.493 2.208 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.773 11.433 0.884 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.988 9.558 2.036 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.304 10.631 3.385 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.474 10.225 2.394 1.00 0.00 H new ATOM 0 HD3 ARG A 96 1.214 9.042 3.454 1.00 0.00 H new ATOM 0 HE ARG A 96 0.281 11.711 4.181 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.509 9.091 4.980 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.626 9.553 6.681 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.437 12.299 6.368 1.00 0.00 H new ATOM 0 HH22 ARG A 96 1.458 11.362 7.464 1.00 0.00 H new ATOM 1524 N THR A 97 5.217 10.158 1.899 1.00 0.00 N ATOM 1525 CA THR A 97 6.022 8.943 1.882 1.00 0.00 C ATOM 1526 C THR A 97 5.315 7.806 2.612 1.00 0.00 C ATOM 1527 O THR A 97 4.691 8.016 3.652 1.00 0.00 O ATOM 1528 CB THR A 97 7.401 9.174 2.528 1.00 0.00 C ATOM 1529 OG1 THR A 97 7.999 10.361 1.995 1.00 0.00 O ATOM 1530 CG2 THR A 97 8.318 7.985 2.283 1.00 0.00 C ATOM 0 H THR A 97 5.110 10.580 2.821 1.00 0.00 H new ATOM 0 HA THR A 97 6.161 8.669 0.836 1.00 0.00 H new ATOM 0 HB THR A 97 7.260 9.290 3.603 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.875 10.502 2.412 1.00 0.00 H new ATOM 0 HG21 THR A 97 9.286 8.170 2.748 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.874 7.088 2.714 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.452 7.844 1.211 1.00 0.00 H new ATOM 1538 N TYR A 98 5.418 6.602 2.061 1.00 0.00 N ATOM 1539 CA TYR A 98 4.788 5.431 2.659 1.00 0.00 C ATOM 1540 C TYR A 98 5.819 4.345 2.947 1.00 0.00 C ATOM 1541 O TYR A 98 6.964 4.425 2.502 1.00 0.00 O ATOM 1542 CB TYR A 98 3.699 4.884 1.734 1.00 0.00 C ATOM 1543 CG TYR A 98 2.391 5.638 1.826 1.00 0.00 C ATOM 1544 CD1 TYR A 98 2.249 6.894 1.248 1.00 0.00 C ATOM 1545 CD2 TYR A 98 1.299 5.096 2.492 1.00 0.00 C ATOM 1546 CE1 TYR A 98 1.056 7.587 1.329 1.00 0.00 C ATOM 1547 CE2 TYR A 98 0.103 5.781 2.577 1.00 0.00 C ATOM 1548 CZ TYR A 98 -0.014 7.026 1.995 1.00 0.00 C ATOM 1549 OH TYR A 98 -1.204 7.712 2.079 1.00 0.00 O ATOM 0 H TYR A 98 5.932 6.411 1.201 1.00 0.00 H new ATOM 0 HA TYR A 98 4.335 5.736 3.603 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.057 4.919 0.705 1.00 0.00 H new ATOM 0 HB3 TYR A 98 3.522 3.836 1.975 1.00 0.00 H new ATOM 0 HD1 TYR A 98 3.085 7.336 0.727 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.387 4.122 2.951 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.962 8.562 0.874 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.737 5.344 3.097 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.855 7.177 2.580 1.00 0.00 H new ATOM 1559 N PHE A 99 5.403 3.328 3.696 1.00 0.00 N ATOM 1560 CA PHE A 99 6.290 2.224 4.045 1.00 0.00 C ATOM 1561 C PHE A 99 5.540 0.895 4.016 1.00 0.00 C ATOM 1562 O PHE A 99 4.340 0.840 4.284 1.00 0.00 O ATOM 1563 CB PHE A 99 6.898 2.449 5.431 1.00 0.00 C ATOM 1564 CG PHE A 99 8.042 3.422 5.433 1.00 0.00 C ATOM 1565 CD1 PHE A 99 7.809 4.786 5.497 1.00 0.00 C ATOM 1566 CD2 PHE A 99 9.351 2.972 5.370 1.00 0.00 C ATOM 1567 CE1 PHE A 99 8.860 5.684 5.500 1.00 0.00 C ATOM 1568 CE2 PHE A 99 10.406 3.865 5.372 1.00 0.00 C ATOM 1569 CZ PHE A 99 10.160 5.222 5.436 1.00 0.00 C ATOM 0 H PHE A 99 4.459 3.246 4.072 1.00 0.00 H new ATOM 0 HA PHE A 99 7.091 2.186 3.307 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.122 2.812 6.105 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.243 1.494 5.827 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.794 5.152 5.545 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.549 1.912 5.319 1.00 0.00 H new ATOM 0 HE1 PHE A 99 8.665 6.745 5.552 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.422 3.502 5.324 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.983 5.921 5.436 1.00 0.00 H new ATOM 1579 N PHE A 100 6.258 -0.175 3.688 1.00 0.00 N ATOM 1580 CA PHE A 100 5.662 -1.504 3.621 1.00 0.00 C ATOM 1581 C PHE A 100 6.721 -2.585 3.812 1.00 0.00 C ATOM 1582 O PHE A 100 7.708 -2.639 3.078 1.00 0.00 O ATOM 1583 CB PHE A 100 4.951 -1.701 2.281 1.00 0.00 C ATOM 1584 CG PHE A 100 4.023 -0.576 1.923 1.00 0.00 C ATOM 1585 CD1 PHE A 100 2.757 -0.500 2.481 1.00 0.00 C ATOM 1586 CD2 PHE A 100 4.416 0.407 1.029 1.00 0.00 C ATOM 1587 CE1 PHE A 100 1.900 0.534 2.155 1.00 0.00 C ATOM 1588 CE2 PHE A 100 3.564 1.444 0.699 1.00 0.00 C ATOM 1589 CZ PHE A 100 2.304 1.507 1.261 1.00 0.00 C ATOM 0 H PHE A 100 7.253 -0.147 3.465 1.00 0.00 H new ATOM 0 HA PHE A 100 4.933 -1.589 4.427 1.00 0.00 H new ATOM 0 HB2 PHE A 100 5.698 -1.809 1.495 1.00 0.00 H new ATOM 0 HB3 PHE A 100 4.385 -2.632 2.313 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.436 -1.258 3.180 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.399 0.362 0.585 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.916 0.581 2.598 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.883 2.205 0.002 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.636 2.315 1.002 1.00 0.00 H new ATOM 1599 N SER A 101 6.509 -3.445 4.803 1.00 0.00 N ATOM 1600 CA SER A 101 7.447 -4.523 5.094 1.00 0.00 C ATOM 1601 C SER A 101 6.970 -5.838 4.486 1.00 0.00 C ATOM 1602 O SER A 101 5.833 -5.945 4.027 1.00 0.00 O ATOM 1603 CB SER A 101 7.622 -4.681 6.606 1.00 0.00 C ATOM 1604 OG SER A 101 8.298 -5.887 6.918 1.00 0.00 O ATOM 0 H SER A 101 5.696 -3.416 5.418 1.00 0.00 H new ATOM 0 HA SER A 101 8.408 -4.265 4.649 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.183 -3.834 7.001 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.646 -4.672 7.091 1.00 0.00 H new ATOM 0 HG SER A 101 7.798 -6.374 7.606 1.00 0.00 H new ATOM 1610 N ALA A 102 7.848 -6.836 4.486 1.00 0.00 N ATOM 1611 CA ALA A 102 7.516 -8.144 3.937 1.00 0.00 C ATOM 1612 C ALA A 102 8.128 -9.262 4.774 1.00 0.00 C ATOM 1613 O ALA A 102 9.271 -9.162 5.219 1.00 0.00 O ATOM 1614 CB ALA A 102 7.988 -8.245 2.493 1.00 0.00 C ATOM 0 H ALA A 102 8.794 -6.763 4.860 1.00 0.00 H new ATOM 0 HA ALA A 102 6.432 -8.257 3.963 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.734 -9.227 2.095 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.500 -7.474 1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.068 -8.106 2.453 1.00 0.00 H new ATOM 1620 N GLU A 103 7.359 -10.326 4.986 1.00 0.00 N ATOM 1621 CA GLU A 103 7.826 -11.462 5.772 1.00 0.00 C ATOM 1622 C GLU A 103 9.078 -12.075 5.151 1.00 0.00 C ATOM 1623 O GLU A 103 10.043 -12.383 5.850 1.00 0.00 O ATOM 1624 CB GLU A 103 6.727 -12.521 5.882 1.00 0.00 C ATOM 1625 CG GLU A 103 5.467 -12.021 6.569 1.00 0.00 C ATOM 1626 CD GLU A 103 4.696 -13.133 7.253 1.00 0.00 C ATOM 1627 OE1 GLU A 103 5.276 -13.805 8.132 1.00 0.00 O ATOM 1628 OE2 GLU A 103 3.512 -13.331 6.910 1.00 0.00 O ATOM 0 H GLU A 103 6.410 -10.425 4.624 1.00 0.00 H new ATOM 0 HA GLU A 103 8.075 -11.102 6.770 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.471 -12.872 4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.114 -13.379 6.432 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.735 -11.264 7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.824 -11.537 5.834 1.00 0.00 H new ATOM 1635 N SER A 104 9.054 -12.249 3.833 1.00 0.00 N ATOM 1636 CA SER A 104 10.184 -12.829 3.118 1.00 0.00 C ATOM 1637 C SER A 104 10.746 -11.842 2.098 1.00 0.00 C ATOM 1638 O SER A 104 10.044 -10.968 1.591 1.00 0.00 O ATOM 1639 CB SER A 104 9.762 -14.121 2.416 1.00 0.00 C ATOM 1640 OG SER A 104 8.915 -14.898 3.244 1.00 0.00 O ATOM 0 H SER A 104 8.264 -11.996 3.239 1.00 0.00 H new ATOM 0 HA SER A 104 10.964 -13.057 3.845 1.00 0.00 H new ATOM 0 HB2 SER A 104 9.246 -13.882 1.486 1.00 0.00 H new ATOM 0 HB3 SER A 104 10.647 -14.700 2.150 1.00 0.00 H new ATOM 0 HG SER A 104 8.658 -15.717 2.772 1.00 0.00 H new ATOM 1646 N PRO A 105 12.043 -11.986 1.791 1.00 0.00 N ATOM 1647 CA PRO A 105 12.729 -11.117 0.829 1.00 0.00 C ATOM 1648 C PRO A 105 12.263 -11.356 -0.603 1.00 0.00 C ATOM 1649 O PRO A 105 12.408 -10.490 -1.464 1.00 0.00 O ATOM 1650 CB PRO A 105 14.201 -11.509 0.984 1.00 0.00 C ATOM 1651 CG PRO A 105 14.168 -12.908 1.495 1.00 0.00 C ATOM 1652 CD PRO A 105 12.941 -13.006 2.357 1.00 0.00 C ATOM 0 HA PRO A 105 12.532 -10.062 1.020 1.00 0.00 H new ATOM 0 HB2 PRO A 105 14.730 -11.447 0.033 1.00 0.00 H new ATOM 0 HB3 PRO A 105 14.716 -10.846 1.679 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.125 -13.623 0.673 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.067 -13.135 2.068 1.00 0.00 H new ATOM 0 HD2 PRO A 105 12.497 -14.001 2.313 1.00 0.00 H new ATOM 0 HD3 PRO A 105 13.168 -12.805 3.404 1.00 0.00 H new ATOM 1660 N GLU A 106 11.701 -12.536 -0.849 1.00 0.00 N ATOM 1661 CA GLU A 106 11.214 -12.887 -2.178 1.00 0.00 C ATOM 1662 C GLU A 106 9.934 -12.124 -2.507 1.00 0.00 C ATOM 1663 O GLU A 106 9.661 -11.822 -3.668 1.00 0.00 O ATOM 1664 CB GLU A 106 10.962 -14.393 -2.271 1.00 0.00 C ATOM 1665 CG GLU A 106 12.233 -15.218 -2.372 1.00 0.00 C ATOM 1666 CD GLU A 106 11.996 -16.691 -2.101 1.00 0.00 C ATOM 1667 OE1 GLU A 106 11.047 -17.257 -2.684 1.00 0.00 O ATOM 1668 OE2 GLU A 106 12.759 -17.278 -1.306 1.00 0.00 O ATOM 0 H GLU A 106 11.572 -13.264 -0.146 1.00 0.00 H new ATOM 0 HA GLU A 106 11.979 -12.609 -2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 106 10.400 -14.713 -1.394 1.00 0.00 H new ATOM 0 HB3 GLU A 106 10.338 -14.595 -3.141 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.660 -15.100 -3.368 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.967 -14.836 -1.663 1.00 0.00 H new ATOM 1675 N GLU A 107 9.153 -11.817 -1.476 1.00 0.00 N ATOM 1676 CA GLU A 107 7.902 -11.091 -1.656 1.00 0.00 C ATOM 1677 C GLU A 107 8.160 -9.599 -1.842 1.00 0.00 C ATOM 1678 O GLU A 107 7.575 -8.962 -2.718 1.00 0.00 O ATOM 1679 CB GLU A 107 6.980 -11.313 -0.455 1.00 0.00 C ATOM 1680 CG GLU A 107 6.284 -12.664 -0.464 1.00 0.00 C ATOM 1681 CD GLU A 107 7.238 -13.810 -0.737 1.00 0.00 C ATOM 1682 OE1 GLU A 107 7.675 -13.954 -1.898 1.00 0.00 O ATOM 1683 OE2 GLU A 107 7.547 -14.564 0.210 1.00 0.00 O ATOM 0 H GLU A 107 9.365 -12.060 -0.508 1.00 0.00 H new ATOM 0 HA GLU A 107 7.417 -11.473 -2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.562 -11.220 0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.227 -10.526 -0.435 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.796 -12.824 0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.501 -12.660 -1.222 1.00 0.00 H new ATOM 1690 N GLN A 108 9.040 -9.048 -1.012 1.00 0.00 N ATOM 1691 CA GLN A 108 9.375 -7.631 -1.085 1.00 0.00 C ATOM 1692 C GLN A 108 9.729 -7.228 -2.513 1.00 0.00 C ATOM 1693 O GLN A 108 9.029 -6.427 -3.133 1.00 0.00 O ATOM 1694 CB GLN A 108 10.542 -7.312 -0.149 1.00 0.00 C ATOM 1695 CG GLN A 108 11.103 -5.911 -0.330 1.00 0.00 C ATOM 1696 CD GLN A 108 12.543 -5.794 0.128 1.00 0.00 C ATOM 1697 OE1 GLN A 108 13.330 -6.730 -0.017 1.00 0.00 O ATOM 1698 NE2 GLN A 108 12.896 -4.642 0.685 1.00 0.00 N ATOM 0 H GLN A 108 9.534 -9.561 -0.282 1.00 0.00 H new ATOM 0 HA GLN A 108 8.501 -7.061 -0.772 1.00 0.00 H new ATOM 0 HB2 GLN A 108 10.212 -7.431 0.883 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.339 -8.037 -0.315 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.036 -5.630 -1.381 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.490 -5.204 0.228 1.00 0.00 H new ATOM 0 HE21 GLN A 108 12.211 -3.893 0.785 1.00 0.00 H new ATOM 0 HE22 GLN A 108 13.852 -4.506 1.013 1.00 0.00 H new ATOM 1707 N GLU A 109 10.819 -7.787 -3.028 1.00 0.00 N ATOM 1708 CA GLU A 109 11.266 -7.484 -4.383 1.00 0.00 C ATOM 1709 C GLU A 109 10.132 -7.679 -5.385 1.00 0.00 C ATOM 1710 O GLU A 109 9.873 -6.813 -6.221 1.00 0.00 O ATOM 1711 CB GLU A 109 12.454 -8.370 -4.762 1.00 0.00 C ATOM 1712 CG GLU A 109 12.050 -9.705 -5.367 1.00 0.00 C ATOM 1713 CD GLU A 109 13.244 -10.538 -5.790 1.00 0.00 C ATOM 1714 OE1 GLU A 109 14.276 -10.498 -5.088 1.00 0.00 O ATOM 1715 OE2 GLU A 109 13.145 -11.232 -6.824 1.00 0.00 O ATOM 0 H GLU A 109 11.409 -8.452 -2.528 1.00 0.00 H new ATOM 0 HA GLU A 109 11.578 -6.440 -4.411 1.00 0.00 H new ATOM 0 HB2 GLU A 109 13.084 -7.834 -5.472 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.059 -8.552 -3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.460 -10.265 -4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.410 -9.529 -6.231 1.00 0.00 H new ATOM 1722 N ALA A 110 9.460 -8.822 -5.295 1.00 0.00 N ATOM 1723 CA ALA A 110 8.353 -9.130 -6.193 1.00 0.00 C ATOM 1724 C ALA A 110 7.302 -8.026 -6.167 1.00 0.00 C ATOM 1725 O ALA A 110 6.795 -7.614 -7.211 1.00 0.00 O ATOM 1726 CB ALA A 110 7.727 -10.466 -5.819 1.00 0.00 C ATOM 0 H ALA A 110 9.663 -9.550 -4.610 1.00 0.00 H new ATOM 0 HA ALA A 110 8.747 -9.196 -7.207 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.902 -10.684 -6.497 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.477 -11.253 -5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.353 -10.419 -4.796 1.00 0.00 H new ATOM 1732 N TRP A 111 6.978 -7.551 -4.970 1.00 0.00 N ATOM 1733 CA TRP A 111 5.986 -6.494 -4.809 1.00 0.00 C ATOM 1734 C TRP A 111 6.415 -5.228 -5.543 1.00 0.00 C ATOM 1735 O TRP A 111 5.606 -4.580 -6.207 1.00 0.00 O ATOM 1736 CB TRP A 111 5.769 -6.191 -3.326 1.00 0.00 C ATOM 1737 CG TRP A 111 4.682 -7.013 -2.704 1.00 0.00 C ATOM 1738 CD1 TRP A 111 4.833 -8.011 -1.783 1.00 0.00 C ATOM 1739 CD2 TRP A 111 3.277 -6.910 -2.960 1.00 0.00 C ATOM 1740 NE1 TRP A 111 3.606 -8.534 -1.451 1.00 0.00 N ATOM 1741 CE2 TRP A 111 2.636 -7.875 -2.158 1.00 0.00 C ATOM 1742 CE3 TRP A 111 2.498 -6.096 -3.786 1.00 0.00 C ATOM 1743 CZ2 TRP A 111 1.254 -8.046 -2.162 1.00 0.00 C ATOM 1744 CZ3 TRP A 111 1.126 -6.267 -3.788 1.00 0.00 C ATOM 1745 CH2 TRP A 111 0.516 -7.235 -2.980 1.00 0.00 C ATOM 0 H TRP A 111 7.388 -7.881 -4.096 1.00 0.00 H new ATOM 0 HA TRP A 111 5.048 -6.842 -5.242 1.00 0.00 H new ATOM 0 HB2 TRP A 111 6.700 -6.366 -2.787 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.527 -5.135 -3.210 1.00 0.00 H new ATOM 0 HD1 TRP A 111 5.777 -8.340 -1.376 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.444 -9.290 -0.786 1.00 0.00 H new ATOM 0 HE3 TRP A 111 2.959 -5.346 -4.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 0.781 -8.793 -1.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 0.514 -5.644 -4.423 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.558 -7.343 -3.003 1.00 0.00 H new ATOM 1756 N ILE A 112 7.692 -4.882 -5.418 1.00 0.00 N ATOM 1757 CA ILE A 112 8.228 -3.694 -6.071 1.00 0.00 C ATOM 1758 C ILE A 112 8.125 -3.806 -7.588 1.00 0.00 C ATOM 1759 O ILE A 112 7.896 -2.814 -8.279 1.00 0.00 O ATOM 1760 CB ILE A 112 9.699 -3.454 -5.684 1.00 0.00 C ATOM 1761 CG1 ILE A 112 9.803 -3.049 -4.212 1.00 0.00 C ATOM 1762 CG2 ILE A 112 10.315 -2.388 -6.578 1.00 0.00 C ATOM 1763 CD1 ILE A 112 11.209 -3.131 -3.661 1.00 0.00 C ATOM 0 H ILE A 112 8.374 -5.407 -4.871 1.00 0.00 H new ATOM 0 HA ILE A 112 7.629 -2.850 -5.730 1.00 0.00 H new ATOM 0 HB ILE A 112 10.252 -4.382 -5.825 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.435 -2.029 -4.097 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.151 -3.691 -3.620 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.355 -2.230 -6.292 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.270 -2.714 -7.617 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.762 -1.455 -6.466 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.207 -2.830 -2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.573 -4.155 -3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 112 11.861 -2.467 -4.228 1.00 0.00 H new ATOM 1775 N GLN A 113 8.293 -5.022 -8.099 1.00 0.00 N ATOM 1776 CA GLN A 113 8.217 -5.264 -9.535 1.00 0.00 C ATOM 1777 C GLN A 113 6.849 -4.869 -10.082 1.00 0.00 C ATOM 1778 O GLN A 113 6.746 -4.285 -11.160 1.00 0.00 O ATOM 1779 CB GLN A 113 8.497 -6.736 -9.841 1.00 0.00 C ATOM 1780 CG GLN A 113 9.845 -7.218 -9.330 1.00 0.00 C ATOM 1781 CD GLN A 113 10.388 -8.387 -10.128 1.00 0.00 C ATOM 1782 OE1 GLN A 113 9.806 -8.788 -11.136 1.00 0.00 O ATOM 1783 NE2 GLN A 113 11.509 -8.940 -9.680 1.00 0.00 N ATOM 0 H GLN A 113 8.482 -5.854 -7.540 1.00 0.00 H new ATOM 0 HA GLN A 113 8.974 -4.649 -10.022 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.710 -7.347 -9.398 1.00 0.00 H new ATOM 0 HB3 GLN A 113 8.450 -6.890 -10.919 1.00 0.00 H new ATOM 0 HG2 GLN A 113 10.559 -6.395 -9.367 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.749 -7.510 -8.284 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.958 -8.575 -8.840 1.00 0.00 H new ATOM 0 HE22 GLN A 113 11.922 -9.730 -10.176 1.00 0.00 H new ATOM 1792 N ALA A 114 5.802 -5.193 -9.331 1.00 0.00 N ATOM 1793 CA ALA A 114 4.440 -4.871 -9.740 1.00 0.00 C ATOM 1794 C ALA A 114 4.082 -3.435 -9.373 1.00 0.00 C ATOM 1795 O ALA A 114 3.446 -2.726 -10.152 1.00 0.00 O ATOM 1796 CB ALA A 114 3.455 -5.842 -9.106 1.00 0.00 C ATOM 0 H ALA A 114 5.870 -5.678 -8.436 1.00 0.00 H new ATOM 0 HA ALA A 114 4.380 -4.967 -10.824 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.442 -5.590 -9.420 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.691 -6.858 -9.423 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.526 -5.775 -8.020 1.00 0.00 H new ATOM 1802 N MET A 115 4.493 -3.014 -8.181 1.00 0.00 N ATOM 1803 CA MET A 115 4.214 -1.662 -7.711 1.00 0.00 C ATOM 1804 C MET A 115 5.084 -0.643 -8.442 1.00 0.00 C ATOM 1805 O MET A 115 4.576 0.231 -9.144 1.00 0.00 O ATOM 1806 CB MET A 115 4.451 -1.564 -6.203 1.00 0.00 C ATOM 1807 CG MET A 115 3.305 -2.116 -5.371 1.00 0.00 C ATOM 1808 SD MET A 115 3.288 -1.460 -3.691 1.00 0.00 S ATOM 1809 CE MET A 115 2.819 -2.919 -2.763 1.00 0.00 C ATOM 0 H MET A 115 5.020 -3.589 -7.524 1.00 0.00 H new ATOM 0 HA MET A 115 3.168 -1.439 -7.922 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.364 -2.103 -5.951 1.00 0.00 H new ATOM 0 HB3 MET A 115 4.613 -0.520 -5.936 1.00 0.00 H new ATOM 0 HG2 MET A 115 2.360 -1.879 -5.859 1.00 0.00 H new ATOM 0 HG3 MET A 115 3.380 -3.203 -5.332 1.00 0.00 H new ATOM 0 HE1 MET A 115 2.627 -2.644 -1.726 1.00 0.00 H new ATOM 0 HE2 MET A 115 1.917 -3.352 -3.197 1.00 0.00 H new ATOM 0 HE3 MET A 115 3.627 -3.650 -2.801 1.00 0.00 H new ATOM 1819 N GLY A 116 6.397 -0.761 -8.271 1.00 0.00 N ATOM 1820 CA GLY A 116 7.315 0.157 -8.920 1.00 0.00 C ATOM 1821 C GLY A 116 6.942 0.426 -10.364 1.00 0.00 C ATOM 1822 O GLY A 116 7.039 1.558 -10.835 1.00 0.00 O ATOM 0 H GLY A 116 6.841 -1.476 -7.695 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.331 1.098 -8.371 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.324 -0.253 -8.879 1.00 0.00 H new ATOM 1826 N GLU A 117 6.515 -0.618 -11.068 1.00 0.00 N ATOM 1827 CA GLU A 117 6.129 -0.488 -12.468 1.00 0.00 C ATOM 1828 C GLU A 117 4.763 0.180 -12.595 1.00 0.00 C ATOM 1829 O GLU A 117 4.641 1.266 -13.161 1.00 0.00 O ATOM 1830 CB GLU A 117 6.102 -1.861 -13.142 1.00 0.00 C ATOM 1831 CG GLU A 117 7.477 -2.369 -13.543 1.00 0.00 C ATOM 1832 CD GLU A 117 8.277 -1.339 -14.316 1.00 0.00 C ATOM 1833 OE1 GLU A 117 7.656 -0.453 -14.939 1.00 0.00 O ATOM 1834 OE2 GLU A 117 9.523 -1.420 -14.299 1.00 0.00 O ATOM 0 H GLU A 117 6.428 -1.562 -10.692 1.00 0.00 H new ATOM 0 HA GLU A 117 6.869 0.139 -12.966 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.642 -2.580 -12.464 1.00 0.00 H new ATOM 0 HB3 GLU A 117 5.470 -1.809 -14.029 1.00 0.00 H new ATOM 0 HG2 GLU A 117 8.029 -2.656 -12.648 1.00 0.00 H new ATOM 0 HG3 GLU A 117 7.365 -3.267 -14.150 1.00 0.00 H new ATOM 1841 N ALA A 118 3.737 -0.479 -12.066 1.00 0.00 N ATOM 1842 CA ALA A 118 2.380 0.051 -12.119 1.00 0.00 C ATOM 1843 C ALA A 118 2.323 1.471 -11.565 1.00 0.00 C ATOM 1844 O ALA A 118 1.376 2.212 -11.827 1.00 0.00 O ATOM 1845 CB ALA A 118 1.429 -0.856 -11.351 1.00 0.00 C ATOM 0 H ALA A 118 3.820 -1.380 -11.596 1.00 0.00 H new ATOM 0 HA ALA A 118 2.070 0.084 -13.163 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.419 -0.448 -11.399 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.439 -1.852 -11.793 1.00 0.00 H new ATOM 0 HB3 ALA A 118 1.746 -0.918 -10.310 1.00 0.00 H new ATOM 1851 N ALA A 119 3.342 1.843 -10.798 1.00 0.00 N ATOM 1852 CA ALA A 119 3.408 3.175 -10.208 1.00 0.00 C ATOM 1853 C ALA A 119 3.888 4.203 -11.227 1.00 0.00 C ATOM 1854 O ALA A 119 3.457 5.356 -11.209 1.00 0.00 O ATOM 1855 CB ALA A 119 4.320 3.168 -8.991 1.00 0.00 C ATOM 0 H ALA A 119 4.133 1.241 -10.570 1.00 0.00 H new ATOM 0 HA ALA A 119 2.403 3.457 -9.893 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.360 4.169 -8.561 1.00 0.00 H new ATOM 0 HB2 ALA A 119 3.932 2.469 -8.250 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.322 2.861 -9.289 1.00 0.00 H new ATOM 1861 N ARG A 120 4.783 3.778 -12.112 1.00 0.00 N ATOM 1862 CA ARG A 120 5.324 4.663 -13.137 1.00 0.00 C ATOM 1863 C ARG A 120 4.211 5.468 -13.802 1.00 0.00 C ATOM 1864 O ARG A 120 3.114 4.958 -14.032 1.00 0.00 O ATOM 1865 CB ARG A 120 6.083 3.854 -14.191 1.00 0.00 C ATOM 1866 CG ARG A 120 7.552 3.651 -13.861 1.00 0.00 C ATOM 1867 CD ARG A 120 8.235 2.758 -14.885 1.00 0.00 C ATOM 1868 NE ARG A 120 9.641 2.531 -14.562 1.00 0.00 N ATOM 1869 CZ ARG A 120 10.532 2.075 -15.436 1.00 0.00 C ATOM 1870 NH1 ARG A 120 10.163 1.798 -16.679 1.00 0.00 N ATOM 1871 NH2 ARG A 120 11.793 1.894 -15.067 1.00 0.00 N ATOM 0 H ARG A 120 5.149 2.826 -12.140 1.00 0.00 H new ATOM 0 HA ARG A 120 6.013 5.357 -12.656 1.00 0.00 H new ATOM 0 HB2 ARG A 120 5.606 2.880 -14.302 1.00 0.00 H new ATOM 0 HB3 ARG A 120 6.002 4.360 -15.153 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.055 4.617 -13.826 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.645 3.207 -12.870 1.00 0.00 H new ATOM 0 HD2 ARG A 120 7.716 1.801 -14.935 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.159 3.214 -15.872 1.00 0.00 H new ATOM 0 HE ARG A 120 9.956 2.734 -13.613 1.00 0.00 H new ATOM 0 HH11 ARG A 120 9.194 1.935 -16.966 1.00 0.00 H new ATOM 0 HH12 ARG A 120 10.848 1.448 -17.348 1.00 0.00 H new ATOM 0 HH21 ARG A 120 12.080 2.105 -14.111 1.00 0.00 H new ATOM 0 HH22 ARG A 120 12.476 1.544 -15.739 1.00 0.00 H new