USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 803 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 ASN :FLIP amide:sc= -1.31 F(o=-3.6!,f=-1.2) USER MOD Set 1.2: A 110 CYS SG : rot 57:sc= 0.106 USER MOD Set 2.1: A 34 LYS NZ :NH3+ -167:sc= 1.2 (180deg=0) USER MOD Set 2.2: A 107 THR OG1 : rot 77:sc= 0.636 USER MOD Set 3.1: A 65 LYS NZ :NH3+ 171:sc= 0.0544 (180deg=-0.252) USER MOD Set 3.2: A 67 TYR OH : rot -168:sc= 0.919 USER MOD Set 3.3: A 103 CYS SG : rot 129:sc= -2.48! USER MOD Set 3.4: A 104 GLN : amide:sc= -1.3 K(o=-2.8,f=-10!) USER MOD Set 4.1: A 47 LYS NZ :NH3+ -169:sc= 0.267 (180deg=0.227) USER MOD Set 4.2: A 71 SER OG : rot 40:sc= -0.94 USER MOD Set 5.1: A 20 SER OG : rot 44:sc= 0.61 USER MOD Set 5.2: A 22 LYS NZ :NH3+ -147:sc= 1.11 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -53:sc= 0.72 USER MOD Single : A 27 GLN : amide:sc= -0.0438 K(o=-0.044,f=-1.7) USER MOD Single : A 32 MET CE :methyl 147:sc= -0.153 (180deg=-1.09) USER MOD Single : A 37 SER OG : rot -66:sc= -0.303 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -8.64! C(o=-8.6!,f=-13!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -112:sc= -0.944 (180deg=-3.97!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -22:sc= 0.0122 USER MOD Single : A 60 GLN : amide:sc= -0.054 X(o=-0.054,f=-0.054) USER MOD Single : A 66 HIS : no HE2:sc= -0.148 K(o=-0.15,f=-1.3) USER MOD Single : A 68 LYS NZ :NH3+ -172:sc= 0.742 (180deg=0.613) USER MOD Single : A 74 ASN : amide:sc= -0.111 K(o=-0.11,f=-2.8!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.146 F(o=-2.5!,f=-0.15) USER MOD Single : A 93 GLN : amide:sc= -0.362 K(o=-0.36,f=-3.5!) USER MOD Single : A 94 HIS : no HD1:sc= -0.0705 X(o=-0.07,f=-0.55) USER MOD Single : A 95 TYR OH : rot 150:sc= -0.511 USER MOD Single : A 96 SER OG : rot 70:sc= 0.845 USER MOD Single : A 97 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0734) USER MOD Single : A 98 LYS NZ :NH3+ 155:sc= -0.0596 (180deg=-0.159) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 171 N LYS A 13 2.590 1.414 -15.069 1.00 0.00 N ATOM 172 CA LYS A 13 2.575 2.364 -13.989 1.00 0.00 C ATOM 173 C LYS A 13 1.773 1.910 -12.825 1.00 0.00 C ATOM 174 O LYS A 13 2.292 1.819 -11.727 1.00 0.00 O ATOM 175 CB LYS A 13 2.173 3.713 -14.430 1.00 0.00 C ATOM 176 CG LYS A 13 3.055 4.144 -15.556 1.00 0.00 C ATOM 177 CD LYS A 13 4.553 3.878 -15.473 1.00 0.00 C ATOM 178 CE LYS A 13 5.334 4.752 -16.463 1.00 0.00 C ATOM 179 NZ LYS A 13 5.366 4.220 -17.823 1.00 0.00 N ATOM 0 HA LYS A 13 3.608 2.431 -13.647 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.131 3.709 -14.749 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.250 4.417 -13.602 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.687 3.664 -16.463 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.920 5.218 -15.686 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.903 4.073 -14.459 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.749 2.826 -15.681 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.890 5.747 -16.483 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.357 4.866 -16.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.910 4.862 -18.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.816 3.282 -17.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.395 4.136 -18.186 1.00 0.00 H new ATOM 193 N TRP A 14 0.525 1.515 -13.138 1.00 0.00 N ATOM 194 CA TRP A 14 -0.312 1.093 -12.047 1.00 0.00 C ATOM 195 C TRP A 14 0.033 -0.391 -11.814 1.00 0.00 C ATOM 196 O TRP A 14 0.319 -0.798 -10.697 1.00 0.00 O ATOM 197 CB TRP A 14 -1.790 1.428 -12.363 1.00 0.00 C ATOM 198 CG TRP A 14 -2.640 0.398 -13.093 1.00 0.00 C ATOM 199 CD1 TRP A 14 -3.253 0.548 -14.336 1.00 0.00 C ATOM 200 CD2 TRP A 14 -3.107 -0.863 -12.585 1.00 0.00 C ATOM 201 NE1 TRP A 14 -4.057 -0.523 -14.588 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.011 -1.418 -13.520 1.00 0.00 C ATOM 203 CE3 TRP A 14 -2.843 -1.513 -11.421 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.597 -2.633 -13.226 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.421 -2.733 -11.155 1.00 0.00 C ATOM 206 CH2 TRP A 14 -4.298 -3.286 -12.058 1.00 0.00 C ATOM 0 H TRP A 14 0.114 1.485 -14.071 1.00 0.00 H new ATOM 0 HA TRP A 14 -0.139 1.618 -11.107 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -2.285 1.654 -11.419 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.801 2.343 -12.955 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.112 1.388 -15.000 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.612 -0.651 -15.434 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -2.174 -1.068 -10.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -5.297 -3.073 -13.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -3.186 -3.255 -10.239 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -4.755 -4.241 -11.846 1.00 0.00 H new ATOM 217 N PHE A 15 0.002 -1.164 -12.926 1.00 0.00 N ATOM 218 CA PHE A 15 0.370 -2.575 -12.856 1.00 0.00 C ATOM 219 C PHE A 15 1.879 -2.763 -13.134 1.00 0.00 C ATOM 220 O PHE A 15 2.266 -3.100 -14.247 1.00 0.00 O ATOM 221 CB PHE A 15 -0.511 -3.439 -13.771 1.00 0.00 C ATOM 222 CG PHE A 15 -0.347 -4.911 -13.497 1.00 0.00 C ATOM 223 CD1 PHE A 15 -0.505 -5.419 -12.206 1.00 0.00 C ATOM 224 CD2 PHE A 15 -0.033 -5.784 -14.539 1.00 0.00 C ATOM 225 CE1 PHE A 15 -0.356 -6.783 -11.980 1.00 0.00 C ATOM 226 CE2 PHE A 15 0.114 -7.144 -14.308 1.00 0.00 C ATOM 227 CZ PHE A 15 -0.050 -7.643 -13.025 1.00 0.00 C ATOM 0 H PHE A 15 -0.268 -0.834 -13.853 1.00 0.00 H new ATOM 0 HA PHE A 15 0.184 -2.924 -11.840 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.556 -3.160 -13.635 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.260 -3.235 -14.812 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.742 -4.756 -11.387 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.097 -5.396 -15.538 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.480 -7.177 -10.982 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.355 -7.810 -15.123 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.060 -8.701 -12.839 1.00 0.00 H new ATOM 237 N PHE A 16 2.704 -2.554 -12.088 1.00 0.00 N ATOM 238 CA PHE A 16 4.158 -2.726 -12.245 1.00 0.00 C ATOM 239 C PHE A 16 4.531 -4.127 -11.722 1.00 0.00 C ATOM 240 O PHE A 16 3.745 -4.800 -11.073 1.00 0.00 O ATOM 241 CB PHE A 16 4.900 -1.614 -11.450 1.00 0.00 C ATOM 242 CG PHE A 16 5.775 -0.727 -12.310 1.00 0.00 C ATOM 243 CD1 PHE A 16 5.292 -0.166 -13.491 1.00 0.00 C ATOM 244 CD2 PHE A 16 7.089 -0.454 -11.931 1.00 0.00 C ATOM 245 CE1 PHE A 16 6.104 0.629 -14.290 1.00 0.00 C ATOM 246 CE2 PHE A 16 7.909 0.325 -12.747 1.00 0.00 C ATOM 247 CZ PHE A 16 7.416 0.874 -13.923 1.00 0.00 C ATOM 0 H PHE A 16 2.400 -2.275 -11.155 1.00 0.00 H new ATOM 0 HA PHE A 16 4.451 -2.642 -13.291 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.164 -0.995 -10.937 1.00 0.00 H new ATOM 0 HB3 PHE A 16 5.516 -2.080 -10.681 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.271 -0.352 -13.789 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.473 -0.848 -11.002 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.711 1.057 -15.200 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.935 0.503 -12.462 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.051 1.487 -14.546 1.00 0.00 H new ATOM 257 N ARG A 17 5.784 -4.509 -12.026 1.00 0.00 N ATOM 258 CA ARG A 17 6.343 -5.789 -11.568 1.00 0.00 C ATOM 259 C ARG A 17 6.772 -5.742 -10.120 1.00 0.00 C ATOM 260 O ARG A 17 6.193 -5.002 -9.340 1.00 0.00 O ATOM 261 CB ARG A 17 7.466 -6.283 -12.523 1.00 0.00 C ATOM 262 CG ARG A 17 6.914 -7.000 -13.735 1.00 0.00 C ATOM 263 CD ARG A 17 8.022 -7.679 -14.561 1.00 0.00 C ATOM 264 NE ARG A 17 7.666 -7.768 -15.981 1.00 0.00 N ATOM 265 CZ ARG A 17 6.562 -8.404 -16.429 1.00 0.00 C ATOM 266 NH1 ARG A 17 5.753 -9.042 -15.594 1.00 0.00 N ATOM 267 NH2 ARG A 17 6.272 -8.387 -17.724 1.00 0.00 N ATOM 0 H ARG A 17 6.426 -3.949 -12.586 1.00 0.00 H new ATOM 0 HA ARG A 17 5.547 -6.532 -11.609 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.064 -5.432 -12.848 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.133 -6.952 -11.980 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.191 -7.750 -13.414 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.378 -6.289 -14.364 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.951 -7.118 -14.454 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.206 -8.679 -14.169 1.00 0.00 H new ATOM 0 HE ARG A 17 8.283 -7.328 -16.664 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.960 -9.058 -14.595 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.924 -9.517 -15.950 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.882 -7.895 -18.377 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.439 -8.866 -18.066 1.00 0.00 H new ATOM 281 N THR A 18 7.755 -6.575 -9.757 1.00 0.00 N ATOM 282 CA THR A 18 8.243 -6.532 -8.398 1.00 0.00 C ATOM 283 C THR A 18 9.473 -5.627 -8.337 1.00 0.00 C ATOM 284 O THR A 18 10.611 -6.066 -8.192 1.00 0.00 O ATOM 285 CB THR A 18 8.657 -7.899 -7.818 1.00 0.00 C ATOM 286 OG1 THR A 18 9.574 -7.906 -6.683 1.00 0.00 O ATOM 287 CG2 THR A 18 8.921 -8.939 -8.943 1.00 0.00 C ATOM 0 H THR A 18 8.205 -7.257 -10.367 1.00 0.00 H new ATOM 0 HA THR A 18 7.408 -6.164 -7.802 1.00 0.00 H new ATOM 0 HB THR A 18 7.776 -8.253 -7.282 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.368 -7.374 -6.901 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.211 -9.891 -8.498 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.014 -9.075 -9.533 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.723 -8.581 -9.588 1.00 0.00 H new ATOM 295 N ILE A 19 9.156 -4.329 -8.510 1.00 0.00 N ATOM 296 CA ILE A 19 10.197 -3.319 -8.382 1.00 0.00 C ATOM 297 C ILE A 19 10.496 -3.238 -6.891 1.00 0.00 C ATOM 298 O ILE A 19 9.666 -3.612 -6.066 1.00 0.00 O ATOM 299 CB ILE A 19 9.722 -1.952 -8.911 1.00 0.00 C ATOM 300 CG1 ILE A 19 10.882 -1.103 -9.419 1.00 0.00 C ATOM 301 CG2 ILE A 19 8.831 -1.157 -7.953 1.00 0.00 C ATOM 302 CD1 ILE A 19 10.425 0.299 -9.846 1.00 0.00 C ATOM 0 H ILE A 19 8.225 -3.976 -8.729 1.00 0.00 H new ATOM 0 HA ILE A 19 11.079 -3.582 -8.966 1.00 0.00 H new ATOM 0 HB ILE A 19 9.077 -2.202 -9.753 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.637 -1.016 -8.638 1.00 0.00 H new ATOM 0 HG13 ILE A 19 11.355 -1.603 -10.264 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.550 -0.212 -8.417 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.933 -1.732 -7.730 1.00 0.00 H new ATOM 0 HG23 ILE A 19 9.375 -0.960 -7.029 1.00 0.00 H new ATOM 0 HD11 ILE A 19 11.284 0.869 -10.201 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.690 0.214 -10.646 1.00 0.00 H new ATOM 0 HD13 ILE A 19 9.977 0.811 -8.994 1.00 0.00 H new ATOM 314 N SER A 20 11.715 -2.768 -6.582 1.00 0.00 N ATOM 315 CA SER A 20 12.025 -2.651 -5.162 1.00 0.00 C ATOM 316 C SER A 20 11.069 -1.614 -4.545 1.00 0.00 C ATOM 317 O SER A 20 10.491 -0.760 -5.200 1.00 0.00 O ATOM 318 CB SER A 20 13.536 -2.291 -4.975 1.00 0.00 C ATOM 319 OG SER A 20 14.252 -2.537 -3.691 1.00 0.00 O ATOM 0 H SER A 20 12.443 -2.486 -7.238 1.00 0.00 H new ATOM 0 HA SER A 20 11.873 -3.596 -4.641 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.085 -2.827 -5.749 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.635 -1.227 -5.192 1.00 0.00 H new ATOM 0 HG SER A 20 14.015 -3.424 -3.349 1.00 0.00 H new ATOM 325 N ARG A 21 11.000 -1.718 -3.221 1.00 0.00 N ATOM 326 CA ARG A 21 10.114 -0.857 -2.451 1.00 0.00 C ATOM 327 C ARG A 21 10.483 0.605 -2.677 1.00 0.00 C ATOM 328 O ARG A 21 9.695 1.429 -3.109 1.00 0.00 O ATOM 329 CB ARG A 21 10.167 -1.261 -0.972 1.00 0.00 C ATOM 330 CG ARG A 21 8.888 -0.847 -0.238 1.00 0.00 C ATOM 331 CD ARG A 21 8.731 -1.583 1.091 1.00 0.00 C ATOM 332 NE ARG A 21 9.805 -1.220 2.009 1.00 0.00 N ATOM 333 CZ ARG A 21 10.049 -1.928 3.131 1.00 0.00 C ATOM 334 NH1 ARG A 21 9.357 -3.026 3.410 1.00 0.00 N ATOM 335 NH2 ARG A 21 10.992 -1.524 3.973 1.00 0.00 N ATOM 0 H ARG A 21 11.540 -2.382 -2.666 1.00 0.00 H new ATOM 0 HA ARG A 21 9.084 -0.978 -2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.302 -2.340 -0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.030 -0.795 -0.496 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.904 0.228 -0.058 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.024 -1.051 -0.870 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.767 -1.339 1.536 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.740 -2.659 0.920 1.00 0.00 H new ATOM 0 HE ARG A 21 10.387 -0.409 1.797 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.628 -3.346 2.772 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.554 -3.550 4.263 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.529 -0.681 3.771 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.179 -2.057 4.822 1.00 0.00 H new ATOM 349 N LYS A 22 11.767 0.842 -2.370 1.00 0.00 N ATOM 350 CA LYS A 22 12.335 2.175 -2.533 1.00 0.00 C ATOM 351 C LYS A 22 12.323 2.679 -3.980 1.00 0.00 C ATOM 352 O LYS A 22 12.440 3.869 -4.219 1.00 0.00 O ATOM 353 CB LYS A 22 13.752 2.311 -1.975 1.00 0.00 C ATOM 354 CG LYS A 22 14.872 1.628 -2.746 1.00 0.00 C ATOM 355 CD LYS A 22 14.734 0.127 -2.679 1.00 0.00 C ATOM 356 CE LYS A 22 14.683 -0.449 -1.253 1.00 0.00 C ATOM 357 NZ LYS A 22 14.980 -1.873 -1.177 1.00 0.00 N ATOM 0 H LYS A 22 12.415 0.139 -2.015 1.00 0.00 H new ATOM 0 HA LYS A 22 11.667 2.802 -1.943 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.988 3.373 -1.907 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.754 1.918 -0.958 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.853 1.953 -3.786 1.00 0.00 H new ATOM 0 HG3 LYS A 22 15.836 1.927 -2.336 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.826 -0.165 -3.207 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.572 -0.326 -3.210 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.392 0.093 -0.628 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.691 -0.273 -0.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.428 -2.302 -0.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.730 -2.328 -2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.995 -2.007 -0.991 1.00 0.00 H new ATOM 371 N ASP A 23 12.149 1.714 -4.913 1.00 0.00 N ATOM 372 CA ASP A 23 12.162 2.070 -6.318 1.00 0.00 C ATOM 373 C ASP A 23 10.857 2.731 -6.724 1.00 0.00 C ATOM 374 O ASP A 23 10.825 3.861 -7.176 1.00 0.00 O ATOM 375 CB ASP A 23 12.468 0.859 -7.216 1.00 0.00 C ATOM 376 CG ASP A 23 13.949 0.443 -7.227 1.00 0.00 C ATOM 377 OD1 ASP A 23 14.802 1.225 -6.808 1.00 0.00 O ATOM 378 OD2 ASP A 23 14.232 -0.665 -7.677 1.00 0.00 O ATOM 0 H ASP A 23 12.004 0.724 -4.713 1.00 0.00 H new ATOM 0 HA ASP A 23 12.968 2.789 -6.460 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.867 0.013 -6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.159 1.089 -8.236 1.00 0.00 H new ATOM 383 N ALA A 24 9.788 1.962 -6.537 1.00 0.00 N ATOM 384 CA ALA A 24 8.432 2.449 -6.818 1.00 0.00 C ATOM 385 C ALA A 24 8.195 3.779 -6.074 1.00 0.00 C ATOM 386 O ALA A 24 7.564 4.697 -6.575 1.00 0.00 O ATOM 387 CB ALA A 24 7.462 1.358 -6.360 1.00 0.00 C ATOM 0 H ALA A 24 9.829 1.002 -6.194 1.00 0.00 H new ATOM 0 HA ALA A 24 8.284 2.648 -7.879 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.438 1.678 -6.551 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.663 0.438 -6.910 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.594 1.179 -5.293 1.00 0.00 H new ATOM 393 N GLU A 25 8.777 3.804 -4.857 1.00 0.00 N ATOM 394 CA GLU A 25 8.729 4.959 -3.991 1.00 0.00 C ATOM 395 C GLU A 25 9.502 6.135 -4.616 1.00 0.00 C ATOM 396 O GLU A 25 9.060 7.261 -4.520 1.00 0.00 O ATOM 397 CB GLU A 25 9.302 4.607 -2.614 1.00 0.00 C ATOM 398 CG GLU A 25 8.339 3.794 -1.726 1.00 0.00 C ATOM 399 CD GLU A 25 8.804 3.746 -0.259 1.00 0.00 C ATOM 400 OE1 GLU A 25 10.001 3.592 -0.014 1.00 0.00 O ATOM 401 OE2 GLU A 25 7.959 3.864 0.627 1.00 0.00 O ATOM 0 H GLU A 25 9.289 3.014 -4.464 1.00 0.00 H new ATOM 0 HA GLU A 25 7.689 5.263 -3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.223 4.040 -2.749 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.568 5.528 -2.096 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.343 4.233 -1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.259 2.778 -2.114 1.00 0.00 H new ATOM 408 N ARG A 26 10.653 5.838 -5.264 1.00 0.00 N ATOM 409 CA ARG A 26 11.496 6.882 -5.870 1.00 0.00 C ATOM 410 C ARG A 26 10.758 7.614 -6.986 1.00 0.00 C ATOM 411 O ARG A 26 10.907 8.810 -7.204 1.00 0.00 O ATOM 412 CB ARG A 26 12.817 6.274 -6.408 1.00 0.00 C ATOM 413 CG ARG A 26 12.842 5.761 -7.870 1.00 0.00 C ATOM 414 CD ARG A 26 13.724 4.525 -8.080 1.00 0.00 C ATOM 415 NE ARG A 26 14.785 4.840 -9.026 1.00 0.00 N ATOM 416 CZ ARG A 26 15.502 3.889 -9.648 1.00 0.00 C ATOM 417 NH1 ARG A 26 15.274 2.605 -9.417 1.00 0.00 N ATOM 418 NH2 ARG A 26 16.461 4.236 -10.493 1.00 0.00 N ATOM 0 H ARG A 26 11.012 4.890 -5.377 1.00 0.00 H new ATOM 0 HA ARG A 26 11.735 7.607 -5.092 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.597 7.028 -6.306 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.090 5.443 -5.758 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.824 5.525 -8.179 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.195 6.562 -8.520 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.152 4.205 -7.130 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.123 3.696 -8.454 1.00 0.00 H new ATOM 0 HE ARG A 26 14.992 5.819 -9.224 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.546 2.327 -8.759 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.827 1.895 -9.897 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.653 5.222 -10.670 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.008 3.517 -10.967 1.00 0.00 H new ATOM 432 N GLN A 27 9.912 6.796 -7.647 1.00 0.00 N ATOM 433 CA GLN A 27 9.140 7.309 -8.765 1.00 0.00 C ATOM 434 C GLN A 27 7.998 8.176 -8.252 1.00 0.00 C ATOM 435 O GLN A 27 7.873 9.331 -8.632 1.00 0.00 O ATOM 436 CB GLN A 27 8.572 6.178 -9.646 1.00 0.00 C ATOM 437 CG GLN A 27 9.630 5.169 -10.116 1.00 0.00 C ATOM 438 CD GLN A 27 9.011 4.066 -10.993 1.00 0.00 C ATOM 439 OE1 GLN A 27 7.838 3.731 -10.894 1.00 0.00 O ATOM 440 NE2 GLN A 27 9.889 3.517 -11.848 1.00 0.00 N ATOM 0 H GLN A 27 9.758 5.812 -7.426 1.00 0.00 H new ATOM 0 HA GLN A 27 9.815 7.904 -9.381 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.800 5.648 -9.088 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.089 6.617 -10.519 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.405 5.689 -10.678 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.113 4.717 -9.250 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.853 3.850 -11.873 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.592 2.767 -12.472 1.00 0.00 H new ATOM 449 N LEU A 28 7.174 7.564 -7.375 1.00 0.00 N ATOM 450 CA LEU A 28 6.043 8.292 -6.836 1.00 0.00 C ATOM 451 C LEU A 28 6.500 9.544 -6.053 1.00 0.00 C ATOM 452 O LEU A 28 5.797 10.532 -6.005 1.00 0.00 O ATOM 453 CB LEU A 28 5.183 7.335 -6.009 1.00 0.00 C ATOM 454 CG LEU A 28 4.837 6.058 -6.792 1.00 0.00 C ATOM 455 CD1 LEU A 28 4.536 4.897 -5.847 1.00 0.00 C ATOM 456 CD2 LEU A 28 3.691 6.325 -7.766 1.00 0.00 C ATOM 0 H LEU A 28 7.276 6.604 -7.045 1.00 0.00 H new ATOM 0 HA LEU A 28 5.425 8.675 -7.648 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.713 7.068 -5.094 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.264 7.838 -5.710 1.00 0.00 H new ATOM 0 HG LEU A 28 5.705 5.763 -7.382 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.295 4.007 -6.429 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.409 4.698 -5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.689 5.155 -5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.458 5.411 -8.313 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.811 6.651 -7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.985 7.104 -8.470 1.00 0.00 H new ATOM 468 N LEU A 29 7.707 9.483 -5.450 1.00 0.00 N ATOM 469 CA LEU A 29 8.190 10.643 -4.703 1.00 0.00 C ATOM 470 C LEU A 29 8.620 11.808 -5.623 1.00 0.00 C ATOM 471 O LEU A 29 8.790 12.921 -5.143 1.00 0.00 O ATOM 472 CB LEU A 29 9.412 10.197 -3.890 1.00 0.00 C ATOM 473 CG LEU A 29 9.020 9.367 -2.660 1.00 0.00 C ATOM 474 CD1 LEU A 29 10.181 8.468 -2.215 1.00 0.00 C ATOM 475 CD2 LEU A 29 8.587 10.289 -1.513 1.00 0.00 C ATOM 0 H LEU A 29 8.333 8.678 -5.467 1.00 0.00 H new ATOM 0 HA LEU A 29 7.377 11.004 -4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.074 9.610 -4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.973 11.075 -3.570 1.00 0.00 H new ATOM 0 HG LEU A 29 8.180 8.727 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.879 7.890 -1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.447 7.789 -3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 29 11.043 9.085 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.312 9.687 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.411 10.951 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.730 10.884 -1.828 1.00 0.00 H new ATOM 487 N ALA A 30 8.758 11.531 -6.947 1.00 0.00 N ATOM 488 CA ALA A 30 9.116 12.590 -7.896 1.00 0.00 C ATOM 489 C ALA A 30 7.963 13.600 -7.954 1.00 0.00 C ATOM 490 O ALA A 30 6.805 13.240 -7.766 1.00 0.00 O ATOM 491 CB ALA A 30 9.472 12.051 -9.295 1.00 0.00 C ATOM 0 H ALA A 30 8.629 10.608 -7.361 1.00 0.00 H new ATOM 0 HA ALA A 30 10.023 13.080 -7.542 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.728 12.883 -9.951 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.323 11.374 -9.218 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.617 11.514 -9.706 1.00 0.00 H new ATOM 497 N PRO A 31 8.304 14.891 -8.220 1.00 0.00 N ATOM 498 CA PRO A 31 7.258 15.899 -8.267 1.00 0.00 C ATOM 499 C PRO A 31 6.295 15.785 -9.452 1.00 0.00 C ATOM 500 O PRO A 31 5.190 16.309 -9.416 1.00 0.00 O ATOM 501 CB PRO A 31 8.038 17.219 -8.420 1.00 0.00 C ATOM 502 CG PRO A 31 9.525 16.883 -8.568 1.00 0.00 C ATOM 503 CD PRO A 31 9.661 15.403 -8.296 1.00 0.00 C ATOM 0 HA PRO A 31 6.629 15.806 -7.381 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.685 17.770 -9.291 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.877 17.858 -7.552 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.880 17.127 -9.569 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.125 17.463 -7.867 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.222 14.909 -9.089 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.200 15.224 -7.366 1.00 0.00 H new ATOM 511 N MET A 32 6.728 14.978 -10.432 1.00 0.00 N ATOM 512 CA MET A 32 5.909 14.698 -11.591 1.00 0.00 C ATOM 513 C MET A 32 4.809 13.685 -11.239 1.00 0.00 C ATOM 514 O MET A 32 3.673 13.793 -11.686 1.00 0.00 O ATOM 515 CB MET A 32 6.866 14.164 -12.650 1.00 0.00 C ATOM 516 CG MET A 32 7.449 15.280 -13.527 1.00 0.00 C ATOM 517 SD MET A 32 9.254 15.231 -13.607 1.00 0.00 S ATOM 518 CE MET A 32 9.479 13.514 -14.107 1.00 0.00 C ATOM 0 H MET A 32 7.638 14.516 -10.433 1.00 0.00 H new ATOM 0 HA MET A 32 5.390 15.584 -11.955 1.00 0.00 H new ATOM 0 HB2 MET A 32 7.679 13.626 -12.163 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.342 13.446 -13.281 1.00 0.00 H new ATOM 0 HG2 MET A 32 7.042 15.195 -14.535 1.00 0.00 H new ATOM 0 HG3 MET A 32 7.133 16.247 -13.136 1.00 0.00 H new ATOM 0 HE1 MET A 32 10.359 13.433 -14.745 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.614 12.892 -13.222 1.00 0.00 H new ATOM 0 HE3 MET A 32 8.600 13.177 -14.657 1.00 0.00 H new ATOM 528 N ASN A 33 5.238 12.740 -10.382 1.00 0.00 N ATOM 529 CA ASN A 33 4.301 11.705 -9.954 1.00 0.00 C ATOM 530 C ASN A 33 3.778 12.074 -8.573 1.00 0.00 C ATOM 531 O ASN A 33 4.203 11.533 -7.576 1.00 0.00 O ATOM 532 CB ASN A 33 5.086 10.381 -9.870 1.00 0.00 C ATOM 533 CG ASN A 33 5.626 9.976 -11.243 1.00 0.00 C ATOM 534 OD1 ASN A 33 6.751 9.249 -11.216 1.00 0.00 O flip ATOM 535 ND2 ASN A 33 5.051 10.302 -12.266 1.00 0.00 N flip ATOM 0 H ASN A 33 6.179 12.676 -9.993 1.00 0.00 H new ATOM 0 HA ASN A 33 3.465 11.609 -10.647 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.912 10.488 -9.167 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.439 9.594 -9.483 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.197 10.857 -12.216 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.424 10.020 -13.173 1.00 0.00 H new ATOM 542 N LYS A 34 2.761 12.949 -8.580 1.00 0.00 N ATOM 543 CA LYS A 34 2.206 13.371 -7.302 1.00 0.00 C ATOM 544 C LYS A 34 1.061 12.457 -6.900 1.00 0.00 C ATOM 545 O LYS A 34 0.607 11.646 -7.695 1.00 0.00 O ATOM 546 CB LYS A 34 1.792 14.846 -7.386 1.00 0.00 C ATOM 547 CG LYS A 34 0.777 15.144 -8.498 1.00 0.00 C ATOM 548 CD LYS A 34 -0.597 14.531 -8.220 1.00 0.00 C ATOM 549 CE LYS A 34 -1.740 15.351 -8.811 1.00 0.00 C ATOM 550 NZ LYS A 34 -2.997 14.624 -8.805 1.00 0.00 N ATOM 0 H LYS A 34 2.331 13.355 -9.411 1.00 0.00 H new ATOM 0 HA LYS A 34 2.959 13.289 -6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.367 15.149 -6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.682 15.455 -7.547 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.673 16.223 -8.610 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.157 14.760 -9.445 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.630 13.522 -8.631 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.739 14.442 -7.143 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.854 16.275 -8.243 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.491 15.634 -9.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.687 15.119 -9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.844 13.663 -9.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.361 14.568 -7.832 1.00 0.00 H new ATOM 564 N ALA A 35 0.587 12.694 -5.647 1.00 0.00 N ATOM 565 CA ALA A 35 -0.489 11.938 -5.021 1.00 0.00 C ATOM 566 C ALA A 35 -1.538 11.482 -6.050 1.00 0.00 C ATOM 567 O ALA A 35 -2.354 12.270 -6.516 1.00 0.00 O ATOM 568 CB ALA A 35 -1.153 12.823 -3.943 1.00 0.00 C ATOM 0 H ALA A 35 0.960 13.431 -5.049 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.068 11.040 -4.569 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.961 12.270 -3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.412 13.102 -3.194 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.555 13.723 -4.408 1.00 0.00 H new ATOM 574 N GLY A 36 -1.478 10.161 -6.347 1.00 0.00 N ATOM 575 CA GLY A 36 -2.379 9.600 -7.343 1.00 0.00 C ATOM 576 C GLY A 36 -1.666 8.628 -8.273 1.00 0.00 C ATOM 577 O GLY A 36 -2.242 7.667 -8.761 1.00 0.00 O ATOM 0 H GLY A 36 -0.833 9.496 -5.920 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.199 9.087 -6.842 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.819 10.407 -7.930 1.00 0.00 H new ATOM 581 N SER A 37 -0.379 8.953 -8.487 1.00 0.00 N ATOM 582 CA SER A 37 0.512 8.047 -9.193 1.00 0.00 C ATOM 583 C SER A 37 0.656 6.857 -8.228 1.00 0.00 C ATOM 584 O SER A 37 0.905 7.038 -7.035 1.00 0.00 O ATOM 585 CB SER A 37 1.876 8.744 -9.437 1.00 0.00 C ATOM 586 OG SER A 37 2.375 9.624 -8.351 1.00 0.00 O ATOM 0 H SER A 37 0.052 9.826 -8.182 1.00 0.00 H new ATOM 0 HA SER A 37 0.143 7.740 -10.172 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.624 7.973 -9.622 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.797 9.338 -10.348 1.00 0.00 H new ATOM 0 HG SER A 37 1.783 10.399 -8.260 1.00 0.00 H new ATOM 592 N PHE A 38 0.495 5.643 -8.806 1.00 0.00 N ATOM 593 CA PHE A 38 0.566 4.431 -7.988 1.00 0.00 C ATOM 594 C PHE A 38 1.480 3.418 -8.718 1.00 0.00 C ATOM 595 O PHE A 38 1.826 3.584 -9.878 1.00 0.00 O ATOM 596 CB PHE A 38 -0.827 3.749 -7.847 1.00 0.00 C ATOM 597 CG PHE A 38 -1.807 4.192 -6.784 1.00 0.00 C ATOM 598 CD1 PHE A 38 -2.062 5.511 -6.487 1.00 0.00 C ATOM 599 CD2 PHE A 38 -2.532 3.235 -6.087 1.00 0.00 C ATOM 600 CE1 PHE A 38 -3.022 5.886 -5.563 1.00 0.00 C ATOM 601 CE2 PHE A 38 -3.463 3.588 -5.116 1.00 0.00 C ATOM 602 CZ PHE A 38 -3.720 4.924 -4.855 1.00 0.00 C ATOM 0 H PHE A 38 0.322 5.488 -9.799 1.00 0.00 H new ATOM 0 HA PHE A 38 0.936 4.709 -7.001 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.331 3.851 -8.808 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.647 2.685 -7.692 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.494 6.279 -6.991 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.369 2.190 -6.304 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.227 6.933 -5.394 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.986 2.820 -4.565 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.451 5.209 -4.113 1.00 0.00 H new ATOM 612 N LEU A 39 1.787 2.376 -7.951 1.00 0.00 N ATOM 613 CA LEU A 39 2.615 1.228 -8.266 1.00 0.00 C ATOM 614 C LEU A 39 2.128 0.040 -7.544 1.00 0.00 C ATOM 615 O LEU A 39 2.215 0.056 -6.331 1.00 0.00 O ATOM 616 CB LEU A 39 4.093 1.467 -7.831 1.00 0.00 C ATOM 617 CG LEU A 39 4.993 2.216 -8.825 1.00 0.00 C ATOM 618 CD1 LEU A 39 5.114 1.158 -9.900 1.00 0.00 C ATOM 619 CD2 LEU A 39 4.651 3.559 -9.471 1.00 0.00 C ATOM 0 H LEU A 39 1.423 2.314 -7.000 1.00 0.00 H new ATOM 0 HA LEU A 39 2.564 1.077 -9.344 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.086 2.023 -6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.548 0.498 -7.624 1.00 0.00 H new ATOM 0 HG LEU A 39 5.849 2.578 -8.255 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.740 1.532 -10.710 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.566 0.260 -9.478 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.124 0.918 -10.288 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.463 3.862 -10.133 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.730 3.462 -10.047 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.516 4.312 -8.695 1.00 0.00 H new ATOM 631 N ILE A 40 1.655 -1.008 -8.276 1.00 0.00 N ATOM 632 CA ILE A 40 1.156 -2.150 -7.506 1.00 0.00 C ATOM 633 C ILE A 40 2.320 -3.140 -7.784 1.00 0.00 C ATOM 634 O ILE A 40 2.359 -3.801 -8.811 1.00 0.00 O ATOM 635 CB ILE A 40 -0.308 -2.541 -7.982 1.00 0.00 C ATOM 636 CG1 ILE A 40 -1.216 -3.159 -6.882 1.00 0.00 C ATOM 637 CG2 ILE A 40 -0.317 -3.689 -8.981 1.00 0.00 C ATOM 638 CD1 ILE A 40 -2.663 -2.576 -6.922 1.00 0.00 C ATOM 0 H ILE A 40 1.614 -1.077 -9.293 1.00 0.00 H new ATOM 0 HA ILE A 40 0.977 -2.039 -6.437 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.660 -1.579 -8.355 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.257 -4.240 -7.012 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.777 -2.972 -5.902 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.344 -3.912 -9.270 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.256 -3.407 -9.865 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.131 -4.572 -8.525 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.262 -3.036 -6.136 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.625 -1.498 -6.766 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.113 -2.786 -7.892 1.00 0.00 H new ATOM 650 N ARG A 41 3.281 -3.205 -6.834 1.00 0.00 N ATOM 651 CA ARG A 41 4.403 -4.081 -7.109 1.00 0.00 C ATOM 652 C ARG A 41 4.070 -5.436 -6.491 1.00 0.00 C ATOM 653 O ARG A 41 3.324 -5.515 -5.528 1.00 0.00 O ATOM 654 CB ARG A 41 5.652 -3.398 -6.508 1.00 0.00 C ATOM 655 CG ARG A 41 5.931 -3.628 -5.008 1.00 0.00 C ATOM 656 CD ARG A 41 6.689 -4.942 -4.759 1.00 0.00 C ATOM 657 NE ARG A 41 7.461 -4.889 -3.524 1.00 0.00 N ATOM 658 CZ ARG A 41 8.378 -5.836 -3.230 1.00 0.00 C ATOM 659 NH1 ARG A 41 8.614 -6.852 -4.052 1.00 0.00 N ATOM 660 NH2 ARG A 41 9.061 -5.760 -2.098 1.00 0.00 N ATOM 0 H ARG A 41 3.295 -2.701 -5.947 1.00 0.00 H new ATOM 0 HA ARG A 41 4.601 -4.251 -8.167 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.524 -3.735 -7.069 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.562 -2.324 -6.674 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.512 -2.794 -4.615 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.988 -3.644 -4.462 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.980 -5.768 -4.711 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.356 -5.143 -5.598 1.00 0.00 H new ATOM 0 HE ARG A 41 7.306 -4.122 -2.869 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.097 -6.930 -4.928 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.312 -7.555 -3.807 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.894 -4.988 -1.452 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.754 -6.473 -1.872 1.00 0.00 H new ATOM 674 N GLU A 42 4.678 -6.481 -7.075 1.00 0.00 N ATOM 675 CA GLU A 42 4.387 -7.829 -6.586 1.00 0.00 C ATOM 676 C GLU A 42 5.381 -8.243 -5.520 1.00 0.00 C ATOM 677 O GLU A 42 6.556 -7.936 -5.635 1.00 0.00 O ATOM 678 CB GLU A 42 4.358 -8.817 -7.775 1.00 0.00 C ATOM 679 CG GLU A 42 5.692 -9.362 -8.285 1.00 0.00 C ATOM 680 CD GLU A 42 5.505 -10.388 -9.419 1.00 0.00 C ATOM 681 OE1 GLU A 42 4.529 -10.290 -10.162 1.00 0.00 O ATOM 682 OE2 GLU A 42 6.344 -11.278 -9.550 1.00 0.00 O ATOM 0 H GLU A 42 5.341 -6.423 -7.848 1.00 0.00 H new ATOM 0 HA GLU A 42 3.404 -7.840 -6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.737 -9.666 -7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.858 -8.323 -8.608 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.307 -8.536 -8.642 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.231 -9.828 -7.460 1.00 0.00 H new ATOM 689 N SER A 43 4.903 -8.970 -4.483 1.00 0.00 N ATOM 690 CA SER A 43 5.922 -9.397 -3.514 1.00 0.00 C ATOM 691 C SER A 43 6.647 -10.570 -4.217 1.00 0.00 C ATOM 692 O SER A 43 6.015 -11.535 -4.614 1.00 0.00 O ATOM 693 CB SER A 43 5.266 -9.824 -2.171 1.00 0.00 C ATOM 694 OG SER A 43 6.038 -9.654 -0.899 1.00 0.00 O ATOM 0 H SER A 43 3.936 -9.245 -4.309 1.00 0.00 H new ATOM 0 HA SER A 43 6.616 -8.601 -3.246 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.335 -9.267 -2.068 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.999 -10.877 -2.256 1.00 0.00 H new ATOM 0 HG SER A 43 5.496 -9.964 -0.144 1.00 0.00 H new ATOM 700 N GLU A 44 7.971 -10.454 -4.397 1.00 0.00 N ATOM 701 CA GLU A 44 8.690 -11.532 -5.091 1.00 0.00 C ATOM 702 C GLU A 44 8.825 -12.822 -4.248 1.00 0.00 C ATOM 703 O GLU A 44 9.598 -13.708 -4.587 1.00 0.00 O ATOM 704 CB GLU A 44 10.034 -11.060 -5.640 1.00 0.00 C ATOM 705 CG GLU A 44 10.903 -10.383 -4.567 1.00 0.00 C ATOM 706 CD GLU A 44 12.324 -9.993 -5.032 1.00 0.00 C ATOM 707 OE1 GLU A 44 12.469 -9.415 -6.109 1.00 0.00 O ATOM 708 OE2 GLU A 44 13.271 -10.249 -4.289 1.00 0.00 O ATOM 0 H GLU A 44 8.542 -9.667 -4.090 1.00 0.00 H new ATOM 0 HA GLU A 44 8.069 -11.803 -5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.573 -11.912 -6.055 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.863 -10.361 -6.459 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.391 -9.486 -4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.987 -11.054 -3.712 1.00 0.00 H new ATOM 715 N SER A 45 8.076 -12.868 -3.124 1.00 0.00 N ATOM 716 CA SER A 45 8.132 -14.024 -2.246 1.00 0.00 C ATOM 717 C SER A 45 6.749 -14.388 -1.677 1.00 0.00 C ATOM 718 O SER A 45 6.634 -15.017 -0.634 1.00 0.00 O ATOM 719 CB SER A 45 9.099 -13.637 -1.106 1.00 0.00 C ATOM 720 OG SER A 45 8.774 -12.478 -0.233 1.00 0.00 O ATOM 0 H SER A 45 7.443 -12.128 -2.821 1.00 0.00 H new ATOM 0 HA SER A 45 8.470 -14.904 -2.793 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.211 -14.510 -0.462 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.073 -13.445 -1.555 1.00 0.00 H new ATOM 0 HG SER A 45 9.480 -12.365 0.437 1.00 0.00 H new ATOM 726 N ASN A 46 5.713 -13.947 -2.414 1.00 0.00 N ATOM 727 CA ASN A 46 4.335 -14.196 -2.028 1.00 0.00 C ATOM 728 C ASN A 46 3.655 -15.334 -2.784 1.00 0.00 C ATOM 729 O ASN A 46 4.063 -15.776 -3.852 1.00 0.00 O ATOM 730 CB ASN A 46 3.482 -12.966 -2.338 1.00 0.00 C ATOM 731 CG ASN A 46 3.556 -12.386 -3.789 1.00 0.00 C ATOM 732 OD1 ASN A 46 3.369 -11.203 -3.976 1.00 0.00 O ATOM 733 ND2 ASN A 46 3.835 -13.203 -4.812 1.00 0.00 N ATOM 0 H ASN A 46 5.817 -13.417 -3.279 1.00 0.00 H new ATOM 0 HA ASN A 46 4.395 -14.449 -0.969 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.442 -13.216 -2.128 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.767 -12.175 -1.644 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.892 -12.832 -5.760 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.991 -14.197 -4.643 1.00 0.00 H new ATOM 740 N LYS A 47 2.587 -15.798 -2.113 1.00 0.00 N ATOM 741 CA LYS A 47 1.639 -16.749 -2.688 1.00 0.00 C ATOM 742 C LYS A 47 0.709 -16.109 -3.755 1.00 0.00 C ATOM 743 O LYS A 47 -0.474 -16.425 -3.822 1.00 0.00 O ATOM 744 CB LYS A 47 0.994 -17.668 -1.641 1.00 0.00 C ATOM 745 CG LYS A 47 0.573 -16.911 -0.401 1.00 0.00 C ATOM 746 CD LYS A 47 -0.371 -15.806 -0.831 1.00 0.00 C ATOM 747 CE LYS A 47 -1.064 -15.049 0.280 1.00 0.00 C ATOM 748 NZ LYS A 47 -2.002 -14.031 -0.211 1.00 0.00 N ATOM 0 H LYS A 47 2.363 -15.520 -1.158 1.00 0.00 H new ATOM 0 HA LYS A 47 2.207 -17.462 -3.285 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.125 -18.160 -2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.699 -18.452 -1.365 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.082 -17.579 0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.443 -16.494 0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.190 -15.092 -1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.134 -16.240 -1.478 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.603 -15.756 0.911 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.313 -14.569 0.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.302 -13.426 0.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.535 -13.449 -0.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.834 -14.497 -0.626 1.00 0.00 H new ATOM 762 N GLY A 48 1.275 -15.193 -4.568 1.00 0.00 N ATOM 763 CA GLY A 48 0.474 -14.494 -5.564 1.00 0.00 C ATOM 764 C GLY A 48 -0.128 -13.212 -4.978 1.00 0.00 C ATOM 765 O GLY A 48 -1.221 -12.800 -5.348 1.00 0.00 O ATOM 0 H GLY A 48 2.261 -14.932 -4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.092 -14.249 -6.427 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.324 -15.147 -5.918 1.00 0.00 H new ATOM 769 N ALA A 49 0.674 -12.586 -4.076 1.00 0.00 N ATOM 770 CA ALA A 49 0.212 -11.340 -3.429 1.00 0.00 C ATOM 771 C ALA A 49 0.776 -10.115 -4.179 1.00 0.00 C ATOM 772 O ALA A 49 1.502 -10.236 -5.159 1.00 0.00 O ATOM 773 CB ALA A 49 0.679 -11.270 -1.944 1.00 0.00 C ATOM 0 H ALA A 49 1.600 -12.908 -3.793 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.878 -11.335 -3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.324 -10.343 -1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.272 -12.119 -1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.768 -11.300 -1.903 1.00 0.00 H new ATOM 779 N PHE A 50 0.367 -8.932 -3.685 1.00 0.00 N ATOM 780 CA PHE A 50 0.814 -7.674 -4.269 1.00 0.00 C ATOM 781 C PHE A 50 0.984 -6.625 -3.129 1.00 0.00 C ATOM 782 O PHE A 50 0.629 -6.851 -1.978 1.00 0.00 O ATOM 783 CB PHE A 50 -0.104 -7.263 -5.457 1.00 0.00 C ATOM 784 CG PHE A 50 0.091 -8.089 -6.705 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.663 -9.241 -6.909 1.00 0.00 C ATOM 786 CD2 PHE A 50 0.979 -7.695 -7.696 1.00 0.00 C ATOM 787 CE1 PHE A 50 -0.552 -9.967 -8.084 1.00 0.00 C ATOM 788 CE2 PHE A 50 1.070 -8.404 -8.886 1.00 0.00 C ATOM 789 CZ PHE A 50 0.300 -9.537 -9.085 1.00 0.00 C ATOM 0 H PHE A 50 -0.265 -8.831 -2.891 1.00 0.00 H new ATOM 0 HA PHE A 50 1.797 -7.766 -4.730 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.144 -7.342 -5.142 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.078 -6.215 -5.696 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.345 -9.574 -6.140 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.605 -6.829 -7.540 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.131 -10.869 -8.218 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.745 -8.070 -9.660 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.364 -10.081 -10.016 1.00 0.00 H new ATOM 799 N SER A 51 1.497 -5.453 -3.554 1.00 0.00 N ATOM 800 CA SER A 51 1.776 -4.274 -2.730 1.00 0.00 C ATOM 801 C SER A 51 1.434 -3.034 -3.572 1.00 0.00 C ATOM 802 O SER A 51 1.529 -3.119 -4.778 1.00 0.00 O ATOM 803 CB SER A 51 3.271 -4.229 -2.320 1.00 0.00 C ATOM 804 OG SER A 51 3.512 -4.980 -1.045 1.00 0.00 O ATOM 0 H SER A 51 1.738 -5.302 -4.533 1.00 0.00 H new ATOM 0 HA SER A 51 1.181 -4.307 -1.817 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.881 -4.656 -3.116 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.585 -3.192 -2.198 1.00 0.00 H new ATOM 0 HG SER A 51 4.463 -4.935 -0.814 1.00 0.00 H new ATOM 810 N LEU A 52 1.098 -1.899 -2.913 1.00 0.00 N ATOM 811 CA LEU A 52 0.723 -0.673 -3.644 1.00 0.00 C ATOM 812 C LEU A 52 1.231 0.593 -2.907 1.00 0.00 C ATOM 813 O LEU A 52 0.921 0.854 -1.752 1.00 0.00 O ATOM 814 CB LEU A 52 -0.827 -0.666 -3.598 1.00 0.00 C ATOM 815 CG LEU A 52 -1.566 0.335 -4.493 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.149 0.148 -5.956 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.109 0.273 -4.279 1.00 0.00 C ATOM 0 H LEU A 52 1.080 -1.810 -1.897 1.00 0.00 H new ATOM 0 HA LEU A 52 1.143 -0.663 -4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.174 -1.666 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.130 -0.481 -2.568 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.274 1.345 -4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.681 0.865 -6.581 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.075 0.310 -6.052 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.393 -0.864 -6.277 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.596 0.998 -4.932 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.469 -0.728 -4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.342 0.506 -3.240 1.00 0.00 H new ATOM 829 N SER A 53 2.057 1.329 -3.669 1.00 0.00 N ATOM 830 CA SER A 53 2.690 2.572 -3.276 1.00 0.00 C ATOM 831 C SER A 53 1.947 3.737 -3.959 1.00 0.00 C ATOM 832 O SER A 53 1.580 3.661 -5.122 1.00 0.00 O ATOM 833 CB SER A 53 4.188 2.470 -3.680 1.00 0.00 C ATOM 834 OG SER A 53 5.116 1.525 -3.004 1.00 0.00 O ATOM 0 H SER A 53 2.305 1.049 -4.618 1.00 0.00 H new ATOM 0 HA SER A 53 2.641 2.757 -2.203 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.213 2.231 -4.743 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.614 3.467 -3.567 1.00 0.00 H new ATOM 0 HG SER A 53 6.010 1.607 -3.397 1.00 0.00 H new ATOM 840 N VAL A 54 1.760 4.817 -3.175 1.00 0.00 N ATOM 841 CA VAL A 54 1.094 6.020 -3.680 1.00 0.00 C ATOM 842 C VAL A 54 1.840 7.188 -3.075 1.00 0.00 C ATOM 843 O VAL A 54 2.238 7.078 -1.929 1.00 0.00 O ATOM 844 CB VAL A 54 -0.368 6.120 -3.202 1.00 0.00 C ATOM 845 CG1 VAL A 54 -1.089 7.320 -3.860 1.00 0.00 C ATOM 846 CG2 VAL A 54 -1.036 4.771 -3.419 1.00 0.00 C ATOM 0 H VAL A 54 2.059 4.875 -2.202 1.00 0.00 H new ATOM 0 HA VAL A 54 1.095 6.003 -4.770 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.420 6.334 -2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.118 7.366 -3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.573 8.243 -3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.085 7.198 -4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.073 4.821 -3.087 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.006 4.517 -4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.508 4.007 -2.848 1.00 0.00 H new ATOM 856 N LYS A 55 1.979 8.312 -3.797 1.00 0.00 N ATOM 857 CA LYS A 55 2.726 9.362 -3.102 1.00 0.00 C ATOM 858 C LYS A 55 1.815 10.097 -2.090 1.00 0.00 C ATOM 859 O LYS A 55 0.868 10.759 -2.521 1.00 0.00 O ATOM 860 CB LYS A 55 3.263 10.338 -4.156 1.00 0.00 C ATOM 861 CG LYS A 55 4.219 11.416 -3.582 1.00 0.00 C ATOM 862 CD LYS A 55 3.982 12.850 -4.073 1.00 0.00 C ATOM 863 CE LYS A 55 5.023 13.363 -5.079 1.00 0.00 C ATOM 864 NZ LYS A 55 4.756 14.733 -5.502 1.00 0.00 N ATOM 0 H LYS A 55 1.635 8.504 -4.738 1.00 0.00 H new ATOM 0 HA LYS A 55 3.553 8.927 -2.541 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.788 9.773 -4.926 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.422 10.833 -4.641 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.136 11.406 -2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.243 11.133 -3.826 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.995 12.904 -4.532 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.969 13.517 -3.211 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.015 13.310 -4.630 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.033 12.711 -5.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.480 14.739 -6.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.985 15.130 -4.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.613 15.309 -5.376 1.00 0.00 H new ATOM 878 N ASP A 56 2.160 10.094 -0.779 1.00 0.00 N ATOM 879 CA ASP A 56 1.265 10.864 0.094 1.00 0.00 C ATOM 880 C ASP A 56 2.005 12.163 0.380 1.00 0.00 C ATOM 881 O ASP A 56 3.220 12.248 0.447 1.00 0.00 O ATOM 882 CB ASP A 56 0.967 10.077 1.390 1.00 0.00 C ATOM 883 CG ASP A 56 0.395 10.928 2.554 1.00 0.00 C ATOM 884 OD1 ASP A 56 1.166 11.608 3.231 1.00 0.00 O ATOM 885 OD2 ASP A 56 -0.814 10.900 2.781 1.00 0.00 O ATOM 0 H ASP A 56 2.956 9.625 -0.347 1.00 0.00 H new ATOM 0 HA ASP A 56 0.297 11.057 -0.369 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.259 9.281 1.160 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.887 9.599 1.727 1.00 0.00 H new ATOM 890 N ILE A 57 1.142 13.188 0.454 1.00 0.00 N ATOM 891 CA ILE A 57 1.625 14.537 0.663 1.00 0.00 C ATOM 892 C ILE A 57 0.986 15.107 1.916 1.00 0.00 C ATOM 893 O ILE A 57 -0.197 15.416 1.961 1.00 0.00 O ATOM 894 CB ILE A 57 1.290 15.360 -0.587 1.00 0.00 C ATOM 895 CG1 ILE A 57 1.739 14.628 -1.869 1.00 0.00 C ATOM 896 CG2 ILE A 57 1.921 16.757 -0.506 1.00 0.00 C ATOM 897 CD1 ILE A 57 1.696 15.492 -3.118 1.00 0.00 C ATOM 0 H ILE A 57 0.129 13.100 0.373 1.00 0.00 H new ATOM 0 HA ILE A 57 2.705 14.559 0.811 1.00 0.00 H new ATOM 0 HB ILE A 57 0.207 15.479 -0.631 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.755 14.260 -1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.102 13.756 -2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.670 17.322 -1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.538 17.279 0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.004 16.663 -0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.026 14.907 -3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.676 15.839 -3.285 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.355 16.351 -2.989 1.00 0.00 H new ATOM 909 N THR A 58 1.860 15.182 2.928 1.00 0.00 N ATOM 910 CA THR A 58 1.483 15.710 4.234 1.00 0.00 C ATOM 911 C THR A 58 2.447 16.845 4.582 1.00 0.00 C ATOM 912 O THR A 58 3.390 17.137 3.859 1.00 0.00 O ATOM 913 CB THR A 58 1.534 14.526 5.258 1.00 0.00 C ATOM 914 OG1 THR A 58 1.220 14.685 6.691 1.00 0.00 O ATOM 915 CG2 THR A 58 2.948 13.923 5.248 1.00 0.00 C ATOM 0 H THR A 58 2.833 14.882 2.862 1.00 0.00 H new ATOM 0 HA THR A 58 0.474 16.122 4.250 1.00 0.00 H new ATOM 0 HB THR A 58 0.698 13.942 4.873 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.313 13.821 7.144 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.996 13.097 5.958 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.180 13.556 4.248 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.672 14.687 5.531 1.00 0.00 H new ATOM 923 N THR A 59 2.137 17.472 5.734 1.00 0.00 N ATOM 924 CA THR A 59 2.938 18.593 6.233 1.00 0.00 C ATOM 925 C THR A 59 4.355 18.136 6.659 1.00 0.00 C ATOM 926 O THR A 59 5.235 18.959 6.877 1.00 0.00 O ATOM 927 CB THR A 59 2.151 19.318 7.373 1.00 0.00 C ATOM 928 OG1 THR A 59 2.784 20.466 8.069 1.00 0.00 O ATOM 929 CG2 THR A 59 2.006 18.356 8.568 1.00 0.00 C ATOM 0 H THR A 59 1.346 17.220 6.326 1.00 0.00 H new ATOM 0 HA THR A 59 3.101 19.313 5.431 1.00 0.00 H new ATOM 0 HB THR A 59 1.267 19.651 6.828 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.757 20.420 7.958 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.458 18.852 9.370 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.462 17.465 8.254 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.995 18.070 8.927 1.00 0.00 H new ATOM 937 N GLN A 60 4.528 16.790 6.756 1.00 0.00 N ATOM 938 CA GLN A 60 5.811 16.211 7.149 1.00 0.00 C ATOM 939 C GLN A 60 6.601 15.690 5.937 1.00 0.00 C ATOM 940 O GLN A 60 7.107 14.574 5.925 1.00 0.00 O ATOM 941 CB GLN A 60 5.613 15.120 8.203 1.00 0.00 C ATOM 942 CG GLN A 60 4.980 15.666 9.490 1.00 0.00 C ATOM 943 CD GLN A 60 5.947 16.569 10.272 1.00 0.00 C ATOM 944 OE1 GLN A 60 5.789 17.780 10.346 1.00 0.00 O ATOM 945 NE2 GLN A 60 6.946 15.892 10.857 1.00 0.00 N ATOM 0 H GLN A 60 3.796 16.106 6.567 1.00 0.00 H new ATOM 0 HA GLN A 60 6.409 17.006 7.595 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.980 14.333 7.794 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.575 14.665 8.438 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.081 16.229 9.241 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.670 14.834 10.122 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.009 14.880 10.748 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.643 16.389 11.411 1.00 0.00 H new ATOM 954 N GLY A 61 6.654 16.571 4.920 1.00 0.00 N ATOM 955 CA GLY A 61 7.373 16.243 3.693 1.00 0.00 C ATOM 956 C GLY A 61 6.570 15.294 2.794 1.00 0.00 C ATOM 957 O GLY A 61 5.495 14.825 3.150 1.00 0.00 O ATOM 0 H GLY A 61 6.216 17.492 4.929 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.595 17.160 3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.329 15.783 3.944 1.00 0.00 H new ATOM 961 N GLU A 62 7.153 15.084 1.592 1.00 0.00 N ATOM 962 CA GLU A 62 6.578 14.209 0.595 1.00 0.00 C ATOM 963 C GLU A 62 7.043 12.766 0.869 1.00 0.00 C ATOM 964 O GLU A 62 8.229 12.493 1.021 1.00 0.00 O ATOM 965 CB GLU A 62 7.068 14.721 -0.759 1.00 0.00 C ATOM 966 CG GLU A 62 6.050 14.414 -1.845 1.00 0.00 C ATOM 967 CD GLU A 62 6.100 15.485 -2.944 1.00 0.00 C ATOM 968 OE1 GLU A 62 7.032 15.468 -3.744 1.00 0.00 O ATOM 969 OE2 GLU A 62 5.194 16.315 -3.009 1.00 0.00 O ATOM 0 H GLU A 62 8.029 15.522 1.306 1.00 0.00 H new ATOM 0 HA GLU A 62 5.488 14.205 0.615 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.240 15.796 -0.707 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.023 14.257 -1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.252 13.433 -2.275 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.050 14.373 -1.414 1.00 0.00 H new ATOM 976 N VAL A 63 6.034 11.876 0.913 1.00 0.00 N ATOM 977 CA VAL A 63 6.252 10.469 1.210 1.00 0.00 C ATOM 978 C VAL A 63 5.463 9.602 0.223 1.00 0.00 C ATOM 979 O VAL A 63 4.829 10.102 -0.691 1.00 0.00 O ATOM 980 CB VAL A 63 5.766 10.206 2.652 1.00 0.00 C ATOM 981 CG1 VAL A 63 6.392 11.194 3.646 1.00 0.00 C ATOM 982 CG2 VAL A 63 4.219 10.186 2.776 1.00 0.00 C ATOM 0 H VAL A 63 5.058 12.120 0.744 1.00 0.00 H new ATOM 0 HA VAL A 63 7.309 10.219 1.118 1.00 0.00 H new ATOM 0 HB VAL A 63 6.109 9.204 2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.028 10.979 4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.477 11.093 3.624 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.116 12.212 3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.939 9.997 3.812 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.816 11.149 2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.813 9.398 2.141 1.00 0.00 H new ATOM 992 N VAL A 64 5.545 8.271 0.468 1.00 0.00 N ATOM 993 CA VAL A 64 4.770 7.305 -0.310 1.00 0.00 C ATOM 994 C VAL A 64 3.710 6.780 0.658 1.00 0.00 C ATOM 995 O VAL A 64 3.464 7.378 1.689 1.00 0.00 O ATOM 996 CB VAL A 64 5.695 6.259 -0.985 1.00 0.00 C ATOM 997 CG1 VAL A 64 5.033 5.270 -1.958 1.00 0.00 C ATOM 998 CG2 VAL A 64 6.680 6.982 -1.863 1.00 0.00 C ATOM 0 H VAL A 64 6.135 7.858 1.190 1.00 0.00 H new ATOM 0 HA VAL A 64 4.258 7.728 -1.174 1.00 0.00 H new ATOM 0 HB VAL A 64 6.099 5.704 -0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.788 4.594 -2.360 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.274 4.693 -1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.567 5.820 -2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.338 6.258 -2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.142 7.547 -2.625 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.275 7.665 -1.257 1.00 0.00 H new ATOM 1008 N LYS A 65 3.092 5.670 0.263 1.00 0.00 N ATOM 1009 CA LYS A 65 2.106 4.926 1.039 1.00 0.00 C ATOM 1010 C LYS A 65 2.310 3.444 0.801 1.00 0.00 C ATOM 1011 O LYS A 65 2.938 3.067 -0.169 1.00 0.00 O ATOM 1012 CB LYS A 65 0.685 5.329 0.669 1.00 0.00 C ATOM 1013 CG LYS A 65 0.390 6.736 1.162 1.00 0.00 C ATOM 1014 CD LYS A 65 0.471 6.834 2.697 1.00 0.00 C ATOM 1015 CE LYS A 65 -0.676 7.609 3.338 1.00 0.00 C ATOM 1016 NZ LYS A 65 -1.645 6.704 3.944 1.00 0.00 N ATOM 0 H LYS A 65 3.273 5.247 -0.647 1.00 0.00 H new ATOM 0 HA LYS A 65 2.245 5.157 2.095 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.556 5.281 -0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.025 4.627 1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.099 7.433 0.716 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.604 7.036 0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.491 5.827 3.113 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.413 7.310 2.970 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.283 8.287 4.096 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.169 8.224 2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.331 7.252 4.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.145 6.181 3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.151 6.032 4.566 1.00 0.00 H new ATOM 1030 N HIS A 66 1.675 2.631 1.664 1.00 0.00 N ATOM 1031 CA HIS A 66 1.768 1.186 1.514 1.00 0.00 C ATOM 1032 C HIS A 66 0.397 0.540 1.838 1.00 0.00 C ATOM 1033 O HIS A 66 -0.020 0.495 2.988 1.00 0.00 O ATOM 1034 CB HIS A 66 2.784 0.652 2.550 1.00 0.00 C ATOM 1035 CG HIS A 66 4.226 0.843 2.144 1.00 0.00 C ATOM 1036 ND1 HIS A 66 4.651 1.083 0.887 1.00 0.00 N ATOM 1037 CD2 HIS A 66 5.348 0.795 2.988 1.00 0.00 C ATOM 1038 CE1 HIS A 66 5.992 1.175 0.966 1.00 0.00 C ATOM 1039 NE2 HIS A 66 6.440 1.002 2.223 1.00 0.00 N ATOM 0 H HIS A 66 1.108 2.948 2.450 1.00 0.00 H new ATOM 0 HA HIS A 66 2.070 0.947 0.495 1.00 0.00 H new ATOM 0 HB2 HIS A 66 2.615 1.154 3.503 1.00 0.00 H new ATOM 0 HB3 HIS A 66 2.599 -0.410 2.712 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.076 1.176 0.050 1.00 0.00 H new ATOM 0 HD2 HIS A 66 5.338 0.624 4.054 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.634 1.366 0.119 1.00 0.00 H new ATOM 1047 N TYR A 67 -0.241 0.017 0.769 1.00 0.00 N ATOM 1048 CA TYR A 67 -1.528 -0.689 0.853 1.00 0.00 C ATOM 1049 C TYR A 67 -1.318 -2.054 0.172 1.00 0.00 C ATOM 1050 O TYR A 67 -1.447 -2.217 -1.032 1.00 0.00 O ATOM 1051 CB TYR A 67 -2.619 0.083 0.103 1.00 0.00 C ATOM 1052 CG TYR A 67 -2.954 1.368 0.792 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -3.712 1.348 1.953 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -2.495 2.575 0.294 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -4.011 2.520 2.629 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -2.768 3.760 0.963 1.00 0.00 C ATOM 1057 CZ TYR A 67 -3.536 3.753 2.132 1.00 0.00 C ATOM 1058 OH TYR A 67 -3.825 4.988 2.712 1.00 0.00 O ATOM 0 H TYR A 67 0.128 0.076 -0.180 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.843 -0.791 1.891 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.286 0.290 -0.914 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.514 -0.534 0.025 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.075 0.405 2.336 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.921 2.595 -0.621 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.604 2.490 3.531 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.385 4.694 0.578 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.561 5.707 2.100 1.00 0.00 H new ATOM 1068 N LYS A 68 -1.011 -3.026 1.050 1.00 0.00 N ATOM 1069 CA LYS A 68 -0.757 -4.412 0.646 1.00 0.00 C ATOM 1070 C LYS A 68 -2.046 -5.172 0.281 1.00 0.00 C ATOM 1071 O LYS A 68 -2.965 -5.353 1.060 1.00 0.00 O ATOM 1072 CB LYS A 68 0.076 -5.193 1.669 1.00 0.00 C ATOM 1073 CG LYS A 68 -0.095 -4.781 3.128 1.00 0.00 C ATOM 1074 CD LYS A 68 -1.547 -4.878 3.594 1.00 0.00 C ATOM 1075 CE LYS A 68 -2.021 -6.333 3.702 1.00 0.00 C ATOM 1076 NZ LYS A 68 -3.466 -6.431 3.573 1.00 0.00 N ATOM 0 H LYS A 68 -0.933 -2.869 2.055 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.157 -4.338 -0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.174 -6.250 1.579 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.128 -5.091 1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.529 -5.415 3.757 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.258 -3.758 3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.650 -4.391 4.564 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.188 -4.339 2.897 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.543 -6.931 2.926 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.711 -6.748 4.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.768 -7.403 3.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.919 -5.775 4.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.745 -6.185 2.602 1.00 0.00 H new ATOM 1090 N ILE A 69 -2.046 -5.573 -0.997 1.00 0.00 N ATOM 1091 CA ILE A 69 -3.146 -6.369 -1.565 1.00 0.00 C ATOM 1092 C ILE A 69 -2.854 -7.852 -1.369 1.00 0.00 C ATOM 1093 O ILE A 69 -1.861 -8.404 -1.803 1.00 0.00 O ATOM 1094 CB ILE A 69 -3.419 -6.036 -3.064 1.00 0.00 C ATOM 1095 CG1 ILE A 69 -2.225 -5.543 -3.851 1.00 0.00 C ATOM 1096 CG2 ILE A 69 -4.650 -5.210 -3.301 1.00 0.00 C ATOM 1097 CD1 ILE A 69 -2.035 -4.036 -3.826 1.00 0.00 C ATOM 0 H ILE A 69 -1.299 -5.360 -1.658 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.060 -6.108 -1.031 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.633 -7.019 -3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.326 -6.017 -3.458 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.329 -5.867 -4.887 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.764 -5.025 -4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.524 -5.745 -2.930 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.557 -4.259 -2.776 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.157 -3.770 -4.415 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.915 -3.551 -4.248 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.896 -3.704 -2.797 1.00 0.00 H new ATOM 1109 N ARG A 70 -3.817 -8.449 -0.661 1.00 0.00 N ATOM 1110 CA ARG A 70 -3.777 -9.870 -0.353 1.00 0.00 C ATOM 1111 C ARG A 70 -4.624 -10.569 -1.381 1.00 0.00 C ATOM 1112 O ARG A 70 -5.670 -10.067 -1.741 1.00 0.00 O ATOM 1113 CB ARG A 70 -4.328 -10.133 1.037 1.00 0.00 C ATOM 1114 CG ARG A 70 -3.210 -9.971 2.068 1.00 0.00 C ATOM 1115 CD ARG A 70 -3.502 -10.947 3.192 1.00 0.00 C ATOM 1116 NE ARG A 70 -2.803 -10.565 4.420 1.00 0.00 N ATOM 1117 CZ ARG A 70 -2.798 -11.331 5.534 1.00 0.00 C ATOM 1118 NH1 ARG A 70 -3.413 -12.508 5.552 1.00 0.00 N ATOM 1119 NH2 ARG A 70 -2.169 -10.908 6.624 1.00 0.00 N ATOM 0 H ARG A 70 -4.634 -7.963 -0.292 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.750 -10.235 -0.375 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.141 -9.440 1.255 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.744 -11.139 1.091 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.238 -10.178 1.620 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.176 -8.948 2.444 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.576 -10.982 3.377 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.197 -11.950 2.894 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.296 -9.680 4.436 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.896 -12.844 4.719 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.402 -13.076 6.399 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.691 -10.007 6.620 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.164 -11.484 7.466 1.00 0.00 H new ATOM 1133 N SER A 71 -4.121 -11.742 -1.799 1.00 0.00 N ATOM 1134 CA SER A 71 -4.845 -12.520 -2.788 1.00 0.00 C ATOM 1135 C SER A 71 -5.437 -13.722 -2.082 1.00 0.00 C ATOM 1136 O SER A 71 -4.739 -14.578 -1.546 1.00 0.00 O ATOM 1137 CB SER A 71 -3.958 -12.952 -3.961 1.00 0.00 C ATOM 1138 OG SER A 71 -2.683 -13.535 -3.469 1.00 0.00 O ATOM 0 H SER A 71 -3.245 -12.153 -1.475 1.00 0.00 H new ATOM 0 HA SER A 71 -5.630 -11.903 -3.225 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.486 -13.684 -4.572 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.749 -12.094 -4.600 1.00 0.00 H new ATOM 0 HG SER A 71 -2.861 -14.095 -2.685 1.00 0.00 H new ATOM 1144 N LEU A 72 -6.782 -13.654 -2.076 1.00 0.00 N ATOM 1145 CA LEU A 72 -7.604 -14.658 -1.444 1.00 0.00 C ATOM 1146 C LEU A 72 -8.009 -15.693 -2.470 1.00 0.00 C ATOM 1147 O LEU A 72 -8.257 -15.395 -3.634 1.00 0.00 O ATOM 1148 CB LEU A 72 -8.837 -14.011 -0.801 1.00 0.00 C ATOM 1149 CG LEU A 72 -8.561 -12.659 -0.179 1.00 0.00 C ATOM 1150 CD1 LEU A 72 -7.266 -12.713 0.652 1.00 0.00 C ATOM 1151 CD2 LEU A 72 -8.682 -11.515 -1.216 1.00 0.00 C ATOM 0 H LEU A 72 -7.310 -12.898 -2.512 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.035 -15.149 -0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.614 -13.901 -1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.229 -14.680 -0.035 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.337 -12.406 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.077 -11.735 1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.372 -13.455 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.431 -12.987 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.477 -10.561 -0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.964 -11.675 -2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.691 -11.503 -1.628 1.00 0.00 H new ATOM 1163 N ASP A 73 -8.112 -16.908 -1.908 1.00 0.00 N ATOM 1164 CA ASP A 73 -8.473 -18.059 -2.727 1.00 0.00 C ATOM 1165 C ASP A 73 -9.874 -17.935 -3.337 1.00 0.00 C ATOM 1166 O ASP A 73 -10.165 -18.494 -4.388 1.00 0.00 O ATOM 1167 CB ASP A 73 -8.478 -19.335 -1.884 1.00 0.00 C ATOM 1168 CG ASP A 73 -9.432 -19.278 -0.671 1.00 0.00 C ATOM 1169 OD1 ASP A 73 -9.057 -18.706 0.352 1.00 0.00 O ATOM 1170 OD2 ASP A 73 -10.541 -19.804 -0.772 1.00 0.00 O ATOM 0 H ASP A 73 -7.955 -17.109 -0.920 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.728 -18.099 -3.522 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.760 -20.176 -2.517 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.466 -19.529 -1.529 1.00 0.00 H new ATOM 1175 N ASN A 74 -10.690 -17.136 -2.623 1.00 0.00 N ATOM 1176 CA ASN A 74 -12.058 -16.917 -3.046 1.00 0.00 C ATOM 1177 C ASN A 74 -12.497 -15.477 -2.729 1.00 0.00 C ATOM 1178 O ASN A 74 -13.596 -15.213 -2.258 1.00 0.00 O ATOM 1179 CB ASN A 74 -12.991 -17.920 -2.347 1.00 0.00 C ATOM 1180 CG ASN A 74 -13.024 -17.788 -0.809 1.00 0.00 C ATOM 1181 OD1 ASN A 74 -12.173 -17.172 -0.182 1.00 0.00 O ATOM 1182 ND2 ASN A 74 -14.081 -18.393 -0.246 1.00 0.00 N ATOM 0 H ASN A 74 -10.420 -16.647 -1.770 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.117 -17.067 -4.124 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.002 -17.789 -2.733 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.679 -18.931 -2.607 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.211 -18.355 0.765 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.754 -18.891 -0.829 1.00 0.00 H new ATOM 1189 N GLY A 75 -11.549 -14.575 -3.038 1.00 0.00 N ATOM 1190 CA GLY A 75 -11.817 -13.162 -2.784 1.00 0.00 C ATOM 1191 C GLY A 75 -10.978 -12.175 -3.586 1.00 0.00 C ATOM 1192 O GLY A 75 -10.990 -10.984 -3.315 1.00 0.00 O ATOM 0 H GLY A 75 -10.638 -14.789 -3.443 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.869 -12.968 -2.991 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.659 -12.966 -1.723 1.00 0.00 H new ATOM 1196 N GLY A 76 -10.244 -12.725 -4.567 1.00 0.00 N ATOM 1197 CA GLY A 76 -9.412 -11.940 -5.459 1.00 0.00 C ATOM 1198 C GLY A 76 -8.330 -11.132 -4.778 1.00 0.00 C ATOM 1199 O GLY A 76 -7.246 -11.631 -4.523 1.00 0.00 O ATOM 0 H GLY A 76 -10.219 -13.727 -4.754 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.944 -12.611 -6.180 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.051 -11.261 -6.024 1.00 0.00 H new ATOM 1203 N TYR A 77 -8.717 -9.871 -4.464 1.00 0.00 N ATOM 1204 CA TYR A 77 -7.803 -8.939 -3.831 1.00 0.00 C ATOM 1205 C TYR A 77 -8.610 -8.114 -2.836 1.00 0.00 C ATOM 1206 O TYR A 77 -9.774 -7.807 -3.048 1.00 0.00 O ATOM 1207 CB TYR A 77 -7.094 -8.055 -4.879 1.00 0.00 C ATOM 1208 CG TYR A 77 -6.216 -8.856 -5.794 1.00 0.00 C ATOM 1209 CD1 TYR A 77 -4.974 -9.283 -5.369 1.00 0.00 C ATOM 1210 CD2 TYR A 77 -6.633 -9.170 -7.072 1.00 0.00 C ATOM 1211 CE1 TYR A 77 -4.177 -10.057 -6.208 1.00 0.00 C ATOM 1212 CE2 TYR A 77 -5.835 -9.892 -7.944 1.00 0.00 C ATOM 1213 CZ TYR A 77 -4.592 -10.374 -7.502 1.00 0.00 C ATOM 1214 OH TYR A 77 -3.745 -11.136 -8.306 1.00 0.00 O ATOM 0 H TYR A 77 -9.649 -9.496 -4.644 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.010 -9.473 -3.308 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.841 -7.523 -5.468 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.494 -7.301 -4.370 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.620 -9.016 -4.384 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.609 -8.844 -7.401 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.223 -10.417 -5.852 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.165 -10.083 -8.954 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.165 -11.280 -9.180 1.00 0.00 H new ATOM 1224 N TYR A 78 -7.906 -7.797 -1.727 1.00 0.00 N ATOM 1225 CA TYR A 78 -8.560 -7.026 -0.656 1.00 0.00 C ATOM 1226 C TYR A 78 -7.537 -6.235 0.160 1.00 0.00 C ATOM 1227 O TYR A 78 -6.381 -6.619 0.316 1.00 0.00 O ATOM 1228 CB TYR A 78 -9.442 -7.914 0.265 1.00 0.00 C ATOM 1229 CG TYR A 78 -8.836 -8.344 1.594 1.00 0.00 C ATOM 1230 CD1 TYR A 78 -8.909 -7.474 2.685 1.00 0.00 C ATOM 1231 CD2 TYR A 78 -8.240 -9.596 1.784 1.00 0.00 C ATOM 1232 CE1 TYR A 78 -8.397 -7.807 3.926 1.00 0.00 C ATOM 1233 CE2 TYR A 78 -7.744 -9.950 3.043 1.00 0.00 C ATOM 1234 CZ TYR A 78 -7.818 -9.062 4.125 1.00 0.00 C ATOM 1235 OH TYR A 78 -7.307 -9.412 5.372 1.00 0.00 O ATOM 0 H TYR A 78 -6.933 -8.050 -1.556 1.00 0.00 H new ATOM 0 HA TYR A 78 -9.229 -6.318 -1.145 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -10.366 -7.374 0.472 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.715 -8.812 -0.290 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.380 -6.511 2.555 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.163 -10.289 0.959 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.445 -7.098 4.739 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.297 -10.923 3.184 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.943 -10.321 5.333 1.00 0.00 H new ATOM 1245 N ILE A 79 -8.029 -5.030 0.549 1.00 0.00 N ATOM 1246 CA ILE A 79 -7.192 -4.119 1.368 1.00 0.00 C ATOM 1247 C ILE A 79 -7.887 -3.731 2.661 1.00 0.00 C ATOM 1248 O ILE A 79 -7.325 -3.822 3.745 1.00 0.00 O ATOM 1249 CB ILE A 79 -6.515 -2.958 0.611 1.00 0.00 C ATOM 1250 CG1 ILE A 79 -7.373 -2.466 -0.526 1.00 0.00 C ATOM 1251 CG2 ILE A 79 -5.084 -3.166 0.186 1.00 0.00 C ATOM 1252 CD1 ILE A 79 -6.701 -1.347 -1.372 1.00 0.00 C ATOM 0 H ILE A 79 -8.959 -4.679 0.321 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.321 -4.708 1.654 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.434 -2.177 1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.616 -3.306 -1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.314 -2.091 -0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.726 -2.278 -0.335 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.465 -3.344 1.066 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.024 -4.027 -0.480 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.375 -1.041 -2.172 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.483 -0.490 -0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.774 -1.724 -1.803 1.00 0.00 H new ATOM 1264 N SER A 80 -9.154 -3.382 2.460 1.00 0.00 N ATOM 1265 CA SER A 80 -10.016 -2.998 3.551 1.00 0.00 C ATOM 1266 C SER A 80 -11.059 -4.107 3.441 1.00 0.00 C ATOM 1267 O SER A 80 -11.756 -4.196 2.441 1.00 0.00 O ATOM 1268 CB SER A 80 -10.686 -1.608 3.309 1.00 0.00 C ATOM 1269 OG SER A 80 -9.957 -0.322 3.448 1.00 0.00 O ATOM 0 H SER A 80 -9.600 -3.360 1.543 1.00 0.00 H new ATOM 0 HA SER A 80 -9.513 -2.897 4.513 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.084 -1.629 2.295 1.00 0.00 H new ATOM 0 HB3 SER A 80 -11.539 -1.554 3.985 1.00 0.00 H new ATOM 0 HG SER A 80 -10.564 0.421 3.250 1.00 0.00 H new ATOM 1275 N PRO A 81 -11.153 -4.952 4.511 1.00 0.00 N ATOM 1276 CA PRO A 81 -12.020 -6.125 4.483 1.00 0.00 C ATOM 1277 C PRO A 81 -13.513 -5.855 4.277 1.00 0.00 C ATOM 1278 O PRO A 81 -14.292 -6.771 4.046 1.00 0.00 O ATOM 1279 CB PRO A 81 -11.859 -6.688 5.912 1.00 0.00 C ATOM 1280 CG PRO A 81 -10.786 -5.906 6.651 1.00 0.00 C ATOM 1281 CD PRO A 81 -10.406 -4.781 5.738 1.00 0.00 C ATOM 0 HA PRO A 81 -11.734 -6.762 3.646 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.806 -6.622 6.448 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.590 -7.743 5.870 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.161 -5.529 7.602 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.926 -6.537 6.875 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.636 -3.819 6.197 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.334 -4.792 5.540 1.00 0.00 H new ATOM 1289 N ARG A 82 -13.825 -4.547 4.215 1.00 0.00 N ATOM 1290 CA ARG A 82 -15.189 -4.154 3.907 1.00 0.00 C ATOM 1291 C ARG A 82 -15.365 -4.401 2.382 1.00 0.00 C ATOM 1292 O ARG A 82 -16.292 -5.068 1.938 1.00 0.00 O ATOM 1293 CB ARG A 82 -15.490 -2.716 4.381 1.00 0.00 C ATOM 1294 CG ARG A 82 -14.356 -1.694 4.198 1.00 0.00 C ATOM 1295 CD ARG A 82 -13.577 -1.426 5.501 1.00 0.00 C ATOM 1296 NE ARG A 82 -13.050 -0.058 5.530 1.00 0.00 N ATOM 1297 CZ ARG A 82 -13.827 0.999 5.860 1.00 0.00 C ATOM 1298 NH1 ARG A 82 -15.118 0.834 6.129 1.00 0.00 N ATOM 1299 NH2 ARG A 82 -13.304 2.217 5.908 1.00 0.00 N ATOM 0 H ARG A 82 -13.171 -3.780 4.369 1.00 0.00 H new ATOM 0 HA ARG A 82 -15.929 -4.743 4.449 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.368 -2.355 3.845 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.754 -2.751 5.438 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.666 -2.056 3.436 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.774 -0.757 3.830 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.231 -1.585 6.358 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -12.756 -2.137 5.590 1.00 0.00 H new ATOM 0 HE ARG A 82 -12.070 0.101 5.295 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -15.533 -0.097 6.088 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -15.694 1.638 6.377 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -12.316 2.357 5.696 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -13.890 3.014 6.157 1.00 0.00 H new ATOM 1313 N ILE A 83 -14.412 -3.795 1.633 1.00 0.00 N ATOM 1314 CA ILE A 83 -14.277 -3.885 0.178 1.00 0.00 C ATOM 1315 C ILE A 83 -13.171 -4.879 -0.334 1.00 0.00 C ATOM 1316 O ILE A 83 -11.957 -4.783 -0.068 1.00 0.00 O ATOM 1317 CB ILE A 83 -14.252 -2.515 -0.454 1.00 0.00 C ATOM 1318 CG1 ILE A 83 -13.042 -1.703 -0.025 1.00 0.00 C ATOM 1319 CG2 ILE A 83 -15.560 -1.729 -0.190 1.00 0.00 C ATOM 1320 CD1 ILE A 83 -13.111 -0.372 -0.779 1.00 0.00 C ATOM 0 H ILE A 83 -13.692 -3.208 2.054 1.00 0.00 H new ATOM 0 HA ILE A 83 -15.183 -4.372 -0.182 1.00 0.00 H new ATOM 0 HB ILE A 83 -14.172 -2.680 -1.528 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.050 -1.538 1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.119 -2.232 -0.259 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -15.497 -0.749 -0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -16.405 -2.279 -0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -15.700 -1.605 0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -12.258 0.248 -0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -13.089 -0.560 -1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -14.035 0.145 -0.520 1.00 0.00 H new ATOM 1332 N THR A 84 -13.737 -5.817 -1.148 1.00 0.00 N ATOM 1333 CA THR A 84 -12.942 -6.875 -1.763 1.00 0.00 C ATOM 1334 C THR A 84 -13.286 -6.828 -3.297 1.00 0.00 C ATOM 1335 O THR A 84 -14.351 -6.360 -3.701 1.00 0.00 O ATOM 1336 CB THR A 84 -13.492 -8.195 -1.147 1.00 0.00 C ATOM 1337 OG1 THR A 84 -13.880 -8.211 0.277 1.00 0.00 O ATOM 1338 CG2 THR A 84 -12.309 -9.225 -1.189 1.00 0.00 C ATOM 0 H THR A 84 -14.730 -5.846 -1.380 1.00 0.00 H new ATOM 0 HA THR A 84 -11.866 -6.786 -1.611 1.00 0.00 H new ATOM 0 HB THR A 84 -14.395 -8.388 -1.727 1.00 0.00 H new ATOM 0 HG1 THR A 84 -14.206 -9.103 0.517 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.638 -10.175 -0.767 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.995 -9.376 -2.222 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.471 -8.841 -0.607 1.00 0.00 H new ATOM 1346 N PHE A 85 -12.353 -7.381 -4.103 1.00 0.00 N ATOM 1347 CA PHE A 85 -12.518 -7.378 -5.564 1.00 0.00 C ATOM 1348 C PHE A 85 -12.039 -8.736 -6.126 1.00 0.00 C ATOM 1349 O PHE A 85 -11.432 -9.501 -5.403 1.00 0.00 O ATOM 1350 CB PHE A 85 -11.722 -6.170 -6.103 1.00 0.00 C ATOM 1351 CG PHE A 85 -12.331 -4.872 -5.627 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -13.463 -4.356 -6.253 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -11.791 -4.181 -4.541 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -14.046 -3.175 -5.802 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -12.375 -3.003 -4.089 1.00 0.00 C ATOM 1356 CZ PHE A 85 -13.509 -2.502 -4.710 1.00 0.00 C ATOM 0 H PHE A 85 -11.497 -7.825 -3.771 1.00 0.00 H new ATOM 0 HA PHE A 85 -13.557 -7.269 -5.875 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.686 -6.234 -5.771 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.710 -6.193 -7.193 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.892 -4.877 -7.096 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.911 -4.565 -4.047 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -14.918 -2.780 -6.302 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -11.944 -2.476 -3.251 1.00 0.00 H new ATOM 0 HZ PHE A 85 -13.972 -1.596 -4.348 1.00 0.00 H new ATOM 1366 N PRO A 86 -12.309 -9.024 -7.434 1.00 0.00 N ATOM 1367 CA PRO A 86 -11.862 -10.281 -8.060 1.00 0.00 C ATOM 1368 C PRO A 86 -10.435 -10.156 -8.612 1.00 0.00 C ATOM 1369 O PRO A 86 -9.614 -11.043 -8.419 1.00 0.00 O ATOM 1370 CB PRO A 86 -12.806 -10.470 -9.275 1.00 0.00 C ATOM 1371 CG PRO A 86 -13.634 -9.183 -9.416 1.00 0.00 C ATOM 1372 CD PRO A 86 -13.339 -8.321 -8.194 1.00 0.00 C ATOM 0 HA PRO A 86 -11.879 -11.097 -7.338 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -12.232 -10.659 -10.182 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -13.457 -11.331 -9.125 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -13.371 -8.655 -10.332 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -14.697 -9.414 -9.476 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -12.995 -7.330 -8.491 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -14.237 -8.179 -7.593 1.00 0.00 H new ATOM 1380 N THR A 87 -10.171 -9.011 -9.267 1.00 0.00 N ATOM 1381 CA THR A 87 -8.826 -8.787 -9.801 1.00 0.00 C ATOM 1382 C THR A 87 -8.461 -7.388 -9.372 1.00 0.00 C ATOM 1383 O THR A 87 -9.278 -6.636 -8.845 1.00 0.00 O ATOM 1384 CB THR A 87 -8.694 -8.901 -11.331 1.00 0.00 C ATOM 1385 OG1 THR A 87 -7.257 -8.956 -11.654 1.00 0.00 O ATOM 1386 CG2 THR A 87 -9.742 -7.959 -11.997 1.00 0.00 C ATOM 0 H THR A 87 -10.841 -8.260 -9.432 1.00 0.00 H new ATOM 0 HA THR A 87 -8.168 -9.567 -9.418 1.00 0.00 H new ATOM 0 HB THR A 87 -9.005 -9.820 -11.828 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.142 -9.031 -12.624 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.658 -8.031 -13.081 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.745 -8.256 -11.690 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.557 -6.931 -11.686 1.00 0.00 H new ATOM 1394 N LEU A 88 -7.198 -7.058 -9.690 1.00 0.00 N ATOM 1395 CA LEU A 88 -6.808 -5.750 -9.263 1.00 0.00 C ATOM 1396 C LEU A 88 -7.435 -4.712 -10.160 1.00 0.00 C ATOM 1397 O LEU A 88 -7.539 -3.606 -9.706 1.00 0.00 O ATOM 1398 CB LEU A 88 -5.311 -5.476 -9.467 1.00 0.00 C ATOM 1399 CG LEU A 88 -4.339 -6.177 -8.534 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -2.945 -5.620 -8.783 1.00 0.00 C ATOM 1401 CD2 LEU A 88 -4.674 -5.842 -7.090 1.00 0.00 C ATOM 0 H LEU A 88 -6.510 -7.624 -10.188 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.101 -5.701 -8.214 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.054 -5.752 -10.490 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.150 -4.402 -9.376 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.396 -7.251 -8.711 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.233 -6.112 -8.121 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.661 -5.800 -9.820 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.941 -4.548 -8.587 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.973 -6.348 -6.427 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.602 -4.765 -6.940 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.688 -6.172 -6.866 1.00 0.00 H new ATOM 1413 N GLN A 89 -7.834 -5.023 -11.410 1.00 0.00 N ATOM 1414 CA GLN A 89 -8.386 -3.874 -12.184 1.00 0.00 C ATOM 1415 C GLN A 89 -9.701 -3.348 -11.591 1.00 0.00 C ATOM 1416 O GLN A 89 -9.978 -2.160 -11.662 1.00 0.00 O ATOM 1417 CB GLN A 89 -8.442 -4.016 -13.726 1.00 0.00 C ATOM 1418 CG GLN A 89 -8.664 -5.430 -14.250 1.00 0.00 C ATOM 1419 CD GLN A 89 -10.106 -5.763 -14.657 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -10.971 -5.755 -13.632 1.00 0.00 O flip ATOM 1421 NE2 GLN A 89 -10.404 -6.026 -15.813 1.00 0.00 N flip ATOM 0 H GLN A 89 -7.799 -5.934 -11.868 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.619 -3.111 -12.052 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.242 -3.379 -14.103 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.509 -3.636 -14.142 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.016 -5.585 -15.113 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.349 -6.137 -13.483 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.689 -6.011 -16.540 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.368 -6.260 -16.051 1.00 0.00 H new ATOM 1430 N ALA A 90 -10.476 -4.273 -10.990 1.00 0.00 N ATOM 1431 CA ALA A 90 -11.738 -3.851 -10.388 1.00 0.00 C ATOM 1432 C ALA A 90 -11.481 -3.151 -9.036 1.00 0.00 C ATOM 1433 O ALA A 90 -12.317 -2.422 -8.519 1.00 0.00 O ATOM 1434 CB ALA A 90 -12.616 -5.105 -10.173 1.00 0.00 C ATOM 0 H ALA A 90 -10.259 -5.267 -10.914 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.243 -3.144 -11.046 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -13.565 -4.812 -9.724 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.803 -5.587 -11.132 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.101 -5.801 -9.511 1.00 0.00 H new ATOM 1440 N LEU A 91 -10.278 -3.421 -8.496 1.00 0.00 N ATOM 1441 CA LEU A 91 -9.863 -2.799 -7.247 1.00 0.00 C ATOM 1442 C LEU A 91 -9.456 -1.340 -7.527 1.00 0.00 C ATOM 1443 O LEU A 91 -9.893 -0.413 -6.864 1.00 0.00 O ATOM 1444 CB LEU A 91 -8.751 -3.677 -6.637 1.00 0.00 C ATOM 1445 CG LEU A 91 -7.692 -2.968 -5.771 1.00 0.00 C ATOM 1446 CD1 LEU A 91 -7.117 -3.873 -4.688 1.00 0.00 C ATOM 1447 CD2 LEU A 91 -6.506 -2.459 -6.594 1.00 0.00 C ATOM 0 H LEU A 91 -9.593 -4.057 -8.905 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.664 -2.743 -6.510 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.224 -4.448 -6.029 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.236 -4.185 -7.452 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.230 -2.133 -5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.376 -3.322 -4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.919 -4.206 -4.029 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.644 -4.739 -5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.790 -1.968 -5.935 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.023 -3.299 -7.094 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.860 -1.747 -7.340 1.00 0.00 H new ATOM 1459 N VAL A 92 -8.710 -1.207 -8.643 1.00 0.00 N ATOM 1460 CA VAL A 92 -8.111 0.046 -9.082 1.00 0.00 C ATOM 1461 C VAL A 92 -9.177 1.026 -9.624 1.00 0.00 C ATOM 1462 O VAL A 92 -9.072 2.221 -9.411 1.00 0.00 O ATOM 1463 CB VAL A 92 -7.024 -0.276 -10.146 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -5.974 0.791 -10.319 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -6.127 -1.461 -9.825 1.00 0.00 C ATOM 0 H VAL A 92 -8.510 -1.988 -9.268 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.646 0.548 -8.233 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.673 -0.426 -11.009 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.260 0.478 -11.081 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.449 1.722 -10.627 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.453 0.945 -9.374 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.405 -1.599 -10.630 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.597 -1.274 -8.891 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.735 -2.360 -9.724 1.00 0.00 H new ATOM 1475 N GLN A 93 -10.200 0.447 -10.296 1.00 0.00 N ATOM 1476 CA GLN A 93 -11.324 1.150 -10.907 1.00 0.00 C ATOM 1477 C GLN A 93 -12.129 1.872 -9.800 1.00 0.00 C ATOM 1478 O GLN A 93 -12.462 3.043 -9.894 1.00 0.00 O ATOM 1479 CB GLN A 93 -12.265 0.227 -11.730 1.00 0.00 C ATOM 1480 CG GLN A 93 -13.419 -0.453 -10.977 1.00 0.00 C ATOM 1481 CD GLN A 93 -14.320 -1.231 -11.940 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -14.297 -2.451 -12.007 1.00 0.00 O ATOM 1483 NE2 GLN A 93 -15.116 -0.440 -12.673 1.00 0.00 N ATOM 0 H GLN A 93 -10.255 -0.563 -10.425 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.906 1.865 -11.616 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -12.692 0.817 -12.541 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.656 -0.552 -12.189 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -13.017 -1.130 -10.223 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -14.007 0.299 -10.450 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -15.075 0.573 -12.558 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -15.763 -0.851 -13.346 1.00 0.00 H new ATOM 1492 N HIS A 94 -12.302 1.115 -8.690 1.00 0.00 N ATOM 1493 CA HIS A 94 -13.110 1.634 -7.593 1.00 0.00 C ATOM 1494 C HIS A 94 -12.344 2.776 -6.920 1.00 0.00 C ATOM 1495 O HIS A 94 -12.873 3.858 -6.690 1.00 0.00 O ATOM 1496 CB HIS A 94 -13.371 0.490 -6.601 1.00 0.00 C ATOM 1497 CG HIS A 94 -14.502 0.851 -5.662 1.00 0.00 C ATOM 1498 ND1 HIS A 94 -14.453 1.850 -4.752 1.00 0.00 N ATOM 1499 CD2 HIS A 94 -15.766 0.242 -5.580 1.00 0.00 C ATOM 1500 CE1 HIS A 94 -15.650 1.848 -4.139 1.00 0.00 C ATOM 1501 NE2 HIS A 94 -16.463 0.888 -4.618 1.00 0.00 N ATOM 0 H HIS A 94 -11.907 0.186 -8.545 1.00 0.00 H new ATOM 0 HA HIS A 94 -14.065 2.017 -7.952 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.619 -0.422 -7.145 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -12.467 0.284 -6.028 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -16.116 -0.588 -6.175 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -15.927 2.536 -3.354 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.416 0.688 -4.315 1.00 0.00 H new ATOM 1509 N TYR A 95 -11.042 2.482 -6.719 1.00 0.00 N ATOM 1510 CA TYR A 95 -10.140 3.467 -6.145 1.00 0.00 C ATOM 1511 C TYR A 95 -9.833 4.592 -7.159 1.00 0.00 C ATOM 1512 O TYR A 95 -9.253 5.601 -6.770 1.00 0.00 O ATOM 1513 CB TYR A 95 -8.863 2.826 -5.566 1.00 0.00 C ATOM 1514 CG TYR A 95 -9.168 1.977 -4.358 1.00 0.00 C ATOM 1515 CD1 TYR A 95 -9.843 2.530 -3.289 1.00 0.00 C ATOM 1516 CD2 TYR A 95 -8.800 0.648 -4.274 1.00 0.00 C ATOM 1517 CE1 TYR A 95 -10.213 1.806 -2.183 1.00 0.00 C ATOM 1518 CE2 TYR A 95 -9.098 -0.114 -3.151 1.00 0.00 C ATOM 1519 CZ TYR A 95 -9.789 0.465 -2.066 1.00 0.00 C ATOM 1520 OH TYR A 95 -10.028 -0.298 -0.917 1.00 0.00 O ATOM 0 H TYR A 95 -10.611 1.585 -6.945 1.00 0.00 H new ATOM 0 HA TYR A 95 -10.650 3.925 -5.298 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -8.384 2.214 -6.330 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -8.154 3.608 -5.293 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.092 3.580 -3.324 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -8.270 0.192 -5.097 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.821 2.257 -1.412 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.800 -1.151 -3.109 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.113 -1.243 -1.163 1.00 0.00 H new ATOM 1530 N SER A 96 -10.233 4.392 -8.452 1.00 0.00 N ATOM 1531 CA SER A 96 -9.973 5.478 -9.408 1.00 0.00 C ATOM 1532 C SER A 96 -11.031 6.579 -9.271 1.00 0.00 C ATOM 1533 O SER A 96 -10.887 7.608 -9.920 1.00 0.00 O ATOM 1534 CB SER A 96 -10.026 5.039 -10.903 1.00 0.00 C ATOM 1535 OG SER A 96 -8.750 4.298 -11.218 1.00 0.00 O ATOM 0 H SER A 96 -10.696 3.561 -8.820 1.00 0.00 H new ATOM 0 HA SER A 96 -8.966 5.816 -9.163 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.891 4.401 -11.082 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.132 5.909 -11.552 1.00 0.00 H new ATOM 0 HG SER A 96 -8.753 3.432 -10.760 1.00 0.00 H new ATOM 1541 N LYS A 97 -12.083 6.332 -8.449 1.00 0.00 N ATOM 1542 CA LYS A 97 -13.060 7.399 -8.329 1.00 0.00 C ATOM 1543 C LYS A 97 -13.063 8.056 -6.999 1.00 0.00 C ATOM 1544 O LYS A 97 -13.291 9.260 -6.925 1.00 0.00 O ATOM 1545 CB LYS A 97 -14.490 6.806 -8.583 1.00 0.00 C ATOM 1546 CG LYS A 97 -14.985 6.555 -10.020 1.00 0.00 C ATOM 1547 CD LYS A 97 -14.210 5.448 -10.708 1.00 0.00 C ATOM 1548 CE LYS A 97 -14.965 4.874 -11.933 1.00 0.00 C ATOM 1549 NZ LYS A 97 -15.358 5.916 -12.873 1.00 0.00 N ATOM 0 H LYS A 97 -12.255 5.482 -7.913 1.00 0.00 H new ATOM 0 HA LYS A 97 -12.788 8.156 -9.065 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.543 5.855 -8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.206 7.476 -8.108 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -16.043 6.295 -9.998 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.894 7.474 -10.599 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.241 5.831 -11.028 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -14.016 4.646 -9.995 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.331 4.148 -12.442 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -15.852 4.339 -11.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -15.706 5.479 -13.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -16.112 6.496 -12.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -14.537 6.517 -13.088 1.00 0.00 H new ATOM 1563 N LYS A 98 -12.851 7.250 -5.972 1.00 0.00 N ATOM 1564 CA LYS A 98 -12.832 7.808 -4.673 1.00 0.00 C ATOM 1565 C LYS A 98 -12.011 6.884 -3.798 1.00 0.00 C ATOM 1566 O LYS A 98 -12.083 5.675 -3.947 1.00 0.00 O ATOM 1567 CB LYS A 98 -14.269 7.949 -4.181 1.00 0.00 C ATOM 1568 CG LYS A 98 -14.266 8.850 -2.934 1.00 0.00 C ATOM 1569 CD LYS A 98 -14.198 8.284 -1.543 1.00 0.00 C ATOM 1570 CE LYS A 98 -13.292 9.168 -0.646 1.00 0.00 C ATOM 1571 NZ LYS A 98 -13.647 8.944 0.737 1.00 0.00 N ATOM 0 H LYS A 98 -12.697 6.243 -6.028 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.382 8.801 -4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.897 8.381 -4.960 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -14.686 6.971 -3.942 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -13.420 9.529 -3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.170 9.457 -2.983 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.200 8.228 -1.117 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -13.808 7.267 -1.576 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.243 8.923 -0.811 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -13.418 10.220 -0.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.832 9.165 1.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -14.447 9.557 0.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.917 7.949 0.869 1.00 0.00 H new ATOM 1585 N GLY A 99 -11.215 7.507 -2.896 1.00 0.00 N ATOM 1586 CA GLY A 99 -10.375 6.738 -1.983 1.00 0.00 C ATOM 1587 C GLY A 99 -11.192 5.713 -1.197 1.00 0.00 C ATOM 1588 O GLY A 99 -10.884 4.545 -1.275 1.00 0.00 O ATOM 0 H GLY A 99 -11.146 8.519 -2.791 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.595 6.227 -2.548 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -9.875 7.415 -1.290 1.00 0.00 H new ATOM 1592 N ASP A 100 -12.171 6.186 -0.407 1.00 0.00 N ATOM 1593 CA ASP A 100 -13.075 5.280 0.284 1.00 0.00 C ATOM 1594 C ASP A 100 -12.388 4.362 1.352 1.00 0.00 C ATOM 1595 O ASP A 100 -12.713 3.198 1.583 1.00 0.00 O ATOM 1596 CB ASP A 100 -13.891 4.629 -0.822 1.00 0.00 C ATOM 1597 CG ASP A 100 -15.218 3.908 -0.306 1.00 0.00 C ATOM 1598 OD1 ASP A 100 -15.204 3.106 0.639 1.00 0.00 O ATOM 1599 OD2 ASP A 100 -16.288 4.168 -0.876 1.00 0.00 O ATOM 0 H ASP A 100 -12.347 7.177 -0.239 1.00 0.00 H new ATOM 0 HA ASP A 100 -13.758 5.790 0.963 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -14.163 5.389 -1.555 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -13.268 3.898 -1.337 1.00 0.00 H new ATOM 1604 N GLY A 101 -11.385 4.995 1.979 1.00 0.00 N ATOM 1605 CA GLY A 101 -10.629 4.304 3.022 1.00 0.00 C ATOM 1606 C GLY A 101 -9.131 4.550 2.917 1.00 0.00 C ATOM 1607 O GLY A 101 -8.406 4.438 3.899 1.00 0.00 O ATOM 0 H GLY A 101 -11.089 5.952 1.788 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.980 4.634 4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.823 3.233 2.958 1.00 0.00 H new ATOM 1611 N LEU A 102 -8.716 4.888 1.675 1.00 0.00 N ATOM 1612 CA LEU A 102 -7.324 5.185 1.415 1.00 0.00 C ATOM 1613 C LEU A 102 -7.103 6.673 1.708 1.00 0.00 C ATOM 1614 O LEU A 102 -8.024 7.430 1.991 1.00 0.00 O ATOM 1615 CB LEU A 102 -6.949 4.892 -0.052 1.00 0.00 C ATOM 1616 CG LEU A 102 -7.366 3.511 -0.593 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -6.709 3.253 -1.960 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -6.989 2.366 0.362 1.00 0.00 C ATOM 0 H LEU A 102 -9.328 4.956 0.862 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.697 4.557 2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.401 5.658 -0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.868 4.990 -0.157 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.452 3.529 -0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.012 2.274 -2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.024 4.022 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.625 3.281 -1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.305 1.415 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.909 2.356 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.485 2.514 1.321 1.00 0.00 H new ATOM 1630 N CYS A 103 -5.815 7.027 1.619 1.00 0.00 N ATOM 1631 CA CYS A 103 -5.422 8.404 1.902 1.00 0.00 C ATOM 1632 C CYS A 103 -5.843 9.369 0.783 1.00 0.00 C ATOM 1633 O CYS A 103 -6.210 10.503 1.057 1.00 0.00 O ATOM 1634 CB CYS A 103 -3.908 8.502 2.068 1.00 0.00 C ATOM 1635 SG CYS A 103 -3.031 7.520 0.824 1.00 0.00 S ATOM 0 H CYS A 103 -5.053 6.400 1.362 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.930 8.688 2.823 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -3.600 9.545 1.991 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -3.629 8.160 3.065 1.00 0.00 H new ATOM 0 HG CYS A 103 -2.137 8.260 0.238 1.00 0.00 H new ATOM 1641 N GLN A 104 -5.835 8.854 -0.463 1.00 0.00 N ATOM 1642 CA GLN A 104 -6.168 9.640 -1.622 1.00 0.00 C ATOM 1643 C GLN A 104 -6.901 8.658 -2.538 1.00 0.00 C ATOM 1644 O GLN A 104 -7.669 7.815 -2.094 1.00 0.00 O ATOM 1645 CB GLN A 104 -4.854 10.216 -2.225 1.00 0.00 C ATOM 1646 CG GLN A 104 -3.972 11.069 -1.269 1.00 0.00 C ATOM 1647 CD GLN A 104 -2.618 10.436 -0.936 1.00 0.00 C ATOM 1648 OE1 GLN A 104 -2.252 10.242 0.212 1.00 0.00 O ATOM 1649 NE2 GLN A 104 -1.885 10.165 -2.022 1.00 0.00 N ATOM 0 H GLN A 104 -5.596 7.885 -0.672 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.800 10.507 -1.430 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.253 9.384 -2.593 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.114 10.829 -3.088 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -3.803 12.045 -1.723 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -4.519 11.239 -0.342 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -2.260 10.355 -2.951 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -0.951 9.768 -1.921 1.00 0.00 H new ATOM 1658 N LYS A 105 -6.538 8.741 -3.806 1.00 0.00 N ATOM 1659 CA LYS A 105 -7.131 7.926 -4.851 1.00 0.00 C ATOM 1660 C LYS A 105 -6.250 8.075 -6.097 1.00 0.00 C ATOM 1661 O LYS A 105 -5.233 8.747 -6.056 1.00 0.00 O ATOM 1662 CB LYS A 105 -8.552 8.459 -5.126 1.00 0.00 C ATOM 1663 CG LYS A 105 -8.692 9.659 -6.058 1.00 0.00 C ATOM 1664 CD LYS A 105 -8.772 10.961 -5.309 1.00 0.00 C ATOM 1665 CE LYS A 105 -10.163 11.493 -4.981 1.00 0.00 C ATOM 1666 NZ LYS A 105 -10.131 12.883 -4.487 1.00 0.00 N ATOM 0 H LYS A 105 -5.818 9.381 -4.142 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.196 6.876 -4.567 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.142 7.642 -5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.002 8.723 -4.169 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.842 9.687 -6.740 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -9.587 9.539 -6.669 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.225 10.846 -4.373 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.250 11.719 -5.893 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.788 11.441 -5.872 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -10.626 10.854 -4.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.099 13.200 -4.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.557 12.931 -3.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.714 13.500 -5.213 1.00 0.00 H new ATOM 1680 N LEU A 106 -6.670 7.397 -7.174 1.00 0.00 N ATOM 1681 CA LEU A 106 -5.941 7.400 -8.439 1.00 0.00 C ATOM 1682 C LEU A 106 -6.210 8.612 -9.319 1.00 0.00 C ATOM 1683 O LEU A 106 -7.345 8.845 -9.719 1.00 0.00 O ATOM 1684 CB LEU A 106 -6.180 6.127 -9.260 1.00 0.00 C ATOM 1685 CG LEU A 106 -6.296 4.886 -8.381 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -6.062 3.610 -9.169 1.00 0.00 C ATOM 1687 CD2 LEU A 106 -5.314 4.910 -7.232 1.00 0.00 C ATOM 0 H LEU A 106 -7.521 6.835 -7.188 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.897 7.445 -8.129 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.092 6.241 -9.846 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.361 5.994 -9.967 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.314 4.899 -7.993 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.154 2.750 -8.505 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.802 3.534 -9.966 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.062 3.628 -9.603 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.433 4.007 -6.633 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.298 4.955 -7.623 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.503 5.785 -6.610 1.00 0.00 H new ATOM 1699 N THR A 107 -5.119 9.354 -9.597 1.00 0.00 N ATOM 1700 CA THR A 107 -5.258 10.510 -10.484 1.00 0.00 C ATOM 1701 C THR A 107 -4.483 10.295 -11.775 1.00 0.00 C ATOM 1702 O THR A 107 -5.064 10.199 -12.848 1.00 0.00 O ATOM 1703 CB THR A 107 -4.846 11.840 -9.845 1.00 0.00 C ATOM 1704 OG1 THR A 107 -3.420 12.203 -9.732 1.00 0.00 O ATOM 1705 CG2 THR A 107 -5.418 11.881 -8.412 1.00 0.00 C ATOM 0 H THR A 107 -4.180 9.181 -9.238 1.00 0.00 H new ATOM 0 HA THR A 107 -6.324 10.587 -10.697 1.00 0.00 H new ATOM 0 HB THR A 107 -5.242 12.563 -10.558 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.088 12.502 -10.604 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.138 12.820 -7.935 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.505 11.804 -8.452 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.016 11.047 -7.836 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.144 10.207 -11.594 1.00 0.00 N ATOM 1714 CA LEU A 108 -2.275 9.980 -12.751 1.00 0.00 C ATOM 1715 C LEU A 108 -1.232 8.909 -12.430 1.00 0.00 C ATOM 1716 O LEU A 108 -0.238 9.219 -11.795 1.00 0.00 O ATOM 1717 CB LEU A 108 -1.585 11.186 -13.377 1.00 0.00 C ATOM 1718 CG LEU A 108 -2.563 12.210 -14.009 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -2.533 13.646 -13.452 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -2.296 12.225 -15.520 1.00 0.00 C ATOM 0 H LEU A 108 -2.667 10.287 -10.696 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.980 9.660 -13.518 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.991 11.689 -12.614 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.892 10.839 -14.144 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.564 11.868 -13.747 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.264 14.257 -13.981 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.775 13.629 -12.389 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.538 14.069 -13.591 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.967 12.936 -16.001 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.263 12.520 -15.704 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.468 11.230 -15.930 1.00 0.00 H new ATOM 1732 N PRO A 109 -1.484 7.638 -12.867 1.00 0.00 N ATOM 1733 CA PRO A 109 -0.573 6.518 -12.623 1.00 0.00 C ATOM 1734 C PRO A 109 0.773 6.751 -13.317 1.00 0.00 C ATOM 1735 O PRO A 109 0.961 6.433 -14.482 1.00 0.00 O ATOM 1736 CB PRO A 109 -1.213 5.274 -13.257 1.00 0.00 C ATOM 1737 CG PRO A 109 -2.515 5.760 -13.880 1.00 0.00 C ATOM 1738 CD PRO A 109 -2.595 7.292 -13.716 1.00 0.00 C ATOM 0 HA PRO A 109 -0.407 6.407 -11.552 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -0.557 4.835 -14.009 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.399 4.504 -12.509 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.554 5.490 -14.935 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.367 5.282 -13.397 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.526 7.796 -14.680 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.542 7.591 -13.267 1.00 0.00 H new ATOM 1746 N CYS A 110 1.668 7.284 -12.473 1.00 0.00 N ATOM 1747 CA CYS A 110 3.068 7.628 -12.774 1.00 0.00 C ATOM 1748 C CYS A 110 3.267 8.147 -14.223 1.00 0.00 C ATOM 1749 O CYS A 110 3.221 7.376 -15.168 1.00 0.00 O ATOM 1750 CB CYS A 110 3.944 6.392 -12.526 1.00 0.00 C ATOM 1751 SG CYS A 110 5.705 6.733 -12.295 1.00 0.00 S ATOM 0 H CYS A 110 1.422 7.499 -11.507 1.00 0.00 H new ATOM 0 HA CYS A 110 3.360 8.446 -12.115 1.00 0.00 H new ATOM 0 HB2 CYS A 110 3.571 5.873 -11.643 1.00 0.00 H new ATOM 0 HB3 CYS A 110 3.829 5.710 -13.368 1.00 0.00 H new ATOM 0 HG CYS A 110 5.860 7.565 -11.308 1.00 0.00 H new