USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=30 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 : amide:sc= 0.222 K(o=0.95,f=-0.3) USER MOD Set 1.2: A 110 CYS SG : rot -17:sc= 0.728 USER MOD Set 2.1: A 87 THR OG1 : rot -145:sc= 0.816 USER MOD Set 2.2: A 89 GLN :FLIP amide:sc= 0.882 F(o=-0.52,f=1.7) USER MOD Set 3.1: A 47 LYS NZ :NH3+ -119:sc= 0.00385 (180deg=-0.453) USER MOD Set 3.2: A 71 SER OG : rot 179:sc= 0.00835 USER MOD Set 4.1: A 65 LYS NZ :NH3+ 153:sc= 0.194 (180deg=0) USER MOD Set 4.2: A 67 TYR OH : rot -140:sc= 0.663 USER MOD Set 5.1: A 58 THR OG1 : rot -117:sc= 1.23 USER MOD Set 5.2: A 60 GLN : amide:sc= 1.01 K(o=2.2,f=-2.3) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -57:sc= 0.865 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -148:sc= -0.151 (180deg=-0.841) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 MET CE :methyl 163:sc= -0.281 (180deg=-0.595) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -71:sc= 0.151 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= -9.64! C(o=-9.6!,f=-15!) USER MOD Single : A 51 SER OG : rot -160:sc=-0.00277 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -135:sc= -1.14 (180deg=-5.58!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 68 LYS NZ :NH3+ -131:sc= -0.181 (180deg=-0.445) USER MOD Single : A 74 ASN : amide:sc= -0.0761 K(o=-0.076,f=-2.6!) 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 93 GLN : amide:sc= -1.48 K(o=-1.5,f=-3.6!) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 95 TYR OH : rot 180:sc= -2.6! USER MOD Single : A 96 SER OG : rot 67:sc= 0.674 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -111:sc= -0.145 (180deg=-2.46!) USER MOD Single : A 103 CYS SG : rot -48:sc= -3.75! USER MOD Single : A 104 GLN : amide:sc= -0.374 K(o=-0.37,f=-2.7!) USER MOD Single : A 105 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.335) USER MOD Single : A 107 THR OG1 : rot -115:sc= -0.359 USER MOD ----------------------------------------------------------------- ATOM 171 N LYS A 13 2.382 1.922 -16.066 1.00 0.00 N ATOM 172 CA LYS A 13 2.644 2.766 -14.920 1.00 0.00 C ATOM 173 C LYS A 13 1.687 2.549 -13.774 1.00 0.00 C ATOM 174 O LYS A 13 1.425 3.455 -12.999 1.00 0.00 O ATOM 175 CB LYS A 13 2.714 4.189 -15.298 1.00 0.00 C ATOM 176 CG LYS A 13 4.077 4.482 -15.788 1.00 0.00 C ATOM 177 CD LYS A 13 5.285 3.742 -15.299 1.00 0.00 C ATOM 178 CE LYS A 13 6.638 4.309 -15.721 1.00 0.00 C ATOM 179 NZ LYS A 13 6.983 4.087 -17.126 1.00 0.00 N ATOM 0 HA LYS A 13 3.624 2.462 -14.552 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.979 4.411 -16.071 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.477 4.820 -14.441 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.052 4.358 -16.871 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.258 5.539 -15.592 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.251 3.711 -14.210 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.221 2.712 -15.649 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.645 5.381 -15.524 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.413 3.866 -15.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.915 4.504 -17.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.012 3.065 -17.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.267 4.534 -17.734 1.00 0.00 H new ATOM 193 N TRP A 14 1.212 1.302 -13.635 1.00 0.00 N ATOM 194 CA TRP A 14 0.380 1.048 -12.453 1.00 0.00 C ATOM 195 C TRP A 14 0.620 -0.410 -12.030 1.00 0.00 C ATOM 196 O TRP A 14 1.031 -0.673 -10.909 1.00 0.00 O ATOM 197 CB TRP A 14 -1.092 1.498 -12.615 1.00 0.00 C ATOM 198 CG TRP A 14 -2.116 0.536 -13.185 1.00 0.00 C ATOM 199 CD1 TRP A 14 -2.813 0.644 -14.384 1.00 0.00 C ATOM 200 CD2 TRP A 14 -2.685 -0.604 -12.523 1.00 0.00 C ATOM 201 NE1 TRP A 14 -3.757 -0.322 -14.484 1.00 0.00 N ATOM 202 CE2 TRP A 14 -3.734 -1.101 -13.338 1.00 0.00 C ATOM 203 CE3 TRP A 14 -2.424 -1.166 -11.313 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.447 -2.189 -12.920 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.140 -2.269 -10.906 1.00 0.00 C ATOM 206 CH2 TRP A 14 -4.154 -2.768 -11.702 1.00 0.00 C ATOM 0 H TRP A 14 1.370 0.516 -14.266 1.00 0.00 H new ATOM 0 HA TRP A 14 0.679 1.684 -11.620 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.448 1.806 -11.632 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.093 2.386 -13.247 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -2.626 1.398 -15.135 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.385 -0.455 -15.277 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -1.659 -0.749 -10.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -5.235 -2.593 -13.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.909 -2.745 -9.964 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -4.724 -3.622 -11.367 1.00 0.00 H new ATOM 217 N PHE A 15 0.367 -1.320 -12.993 1.00 0.00 N ATOM 218 CA PHE A 15 0.556 -2.753 -12.745 1.00 0.00 C ATOM 219 C PHE A 15 2.012 -3.161 -13.052 1.00 0.00 C ATOM 220 O PHE A 15 2.331 -3.640 -14.131 1.00 0.00 O ATOM 221 CB PHE A 15 -0.432 -3.559 -13.613 1.00 0.00 C ATOM 222 CG PHE A 15 -0.453 -5.031 -13.295 1.00 0.00 C ATOM 223 CD1 PHE A 15 -0.481 -5.475 -11.975 1.00 0.00 C ATOM 224 CD2 PHE A 15 -0.457 -5.970 -14.327 1.00 0.00 C ATOM 225 CE1 PHE A 15 -0.507 -6.838 -11.710 1.00 0.00 C ATOM 226 CE2 PHE A 15 -0.498 -7.331 -14.055 1.00 0.00 C ATOM 227 CZ PHE A 15 -0.522 -7.767 -12.740 1.00 0.00 C ATOM 0 H PHE A 15 0.038 -1.089 -13.930 1.00 0.00 H new ATOM 0 HA PHE A 15 0.359 -2.968 -11.695 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.435 -3.153 -13.480 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.172 -3.426 -14.663 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.482 -4.764 -11.162 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.428 -5.633 -15.353 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.516 -7.180 -10.686 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.511 -8.046 -14.864 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.552 -8.824 -12.518 1.00 0.00 H new ATOM 237 N PHE A 16 2.860 -2.962 -12.027 1.00 0.00 N ATOM 238 CA PHE A 16 4.289 -3.284 -12.131 1.00 0.00 C ATOM 239 C PHE A 16 4.538 -4.661 -11.481 1.00 0.00 C ATOM 240 O PHE A 16 3.701 -5.198 -10.761 1.00 0.00 O ATOM 241 CB PHE A 16 5.094 -2.179 -11.401 1.00 0.00 C ATOM 242 CG PHE A 16 5.751 -1.176 -12.326 1.00 0.00 C ATOM 243 CD1 PHE A 16 5.115 -0.705 -13.474 1.00 0.00 C ATOM 244 CD2 PHE A 16 7.029 -0.701 -12.038 1.00 0.00 C ATOM 245 CE1 PHE A 16 5.741 0.196 -14.324 1.00 0.00 C ATOM 246 CE2 PHE A 16 7.662 0.196 -12.897 1.00 0.00 C ATOM 247 CZ PHE A 16 7.016 0.651 -14.040 1.00 0.00 C ATOM 0 H PHE A 16 2.580 -2.582 -11.123 1.00 0.00 H new ATOM 0 HA PHE A 16 4.605 -3.327 -13.173 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.427 -1.648 -10.722 1.00 0.00 H new ATOM 0 HB3 PHE A 16 5.863 -2.650 -10.789 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.117 -1.047 -13.706 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.533 -1.031 -11.142 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.231 0.543 -15.210 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.661 0.540 -12.673 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.504 1.353 -14.700 1.00 0.00 H new ATOM 257 N ARG A 17 5.753 -5.175 -11.767 1.00 0.00 N ATOM 258 CA ARG A 17 6.195 -6.479 -11.245 1.00 0.00 C ATOM 259 C ARG A 17 6.712 -6.305 -9.810 1.00 0.00 C ATOM 260 O ARG A 17 6.178 -5.501 -9.064 1.00 0.00 O ATOM 261 CB ARG A 17 7.235 -7.093 -12.213 1.00 0.00 C ATOM 262 CG ARG A 17 6.528 -7.939 -13.256 1.00 0.00 C ATOM 263 CD ARG A 17 7.489 -8.784 -14.100 1.00 0.00 C ATOM 264 NE ARG A 17 6.971 -9.007 -15.452 1.00 0.00 N ATOM 265 CZ ARG A 17 5.794 -9.617 -15.709 1.00 0.00 C ATOM 266 NH1 ARG A 17 5.063 -10.142 -14.733 1.00 0.00 N ATOM 267 NH2 ARG A 17 5.353 -9.689 -16.960 1.00 0.00 N ATOM 0 H ARG A 17 6.441 -4.706 -12.355 1.00 0.00 H new ATOM 0 HA ARG A 17 5.365 -7.184 -11.192 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.805 -6.301 -12.699 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.947 -7.704 -11.657 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.816 -8.598 -12.759 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.953 -7.288 -13.914 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.456 -8.285 -14.159 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.655 -9.744 -13.611 1.00 0.00 H new ATOM 0 HE ARG A 17 7.530 -8.684 -16.242 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.388 -10.089 -13.768 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.177 -10.598 -14.949 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.903 -9.285 -17.719 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.465 -10.148 -17.162 1.00 0.00 H new ATOM 281 N THR A 18 7.715 -7.110 -9.422 1.00 0.00 N ATOM 282 CA THR A 18 8.274 -6.963 -8.091 1.00 0.00 C ATOM 283 C THR A 18 9.495 -6.068 -8.179 1.00 0.00 C ATOM 284 O THR A 18 10.637 -6.500 -8.103 1.00 0.00 O ATOM 285 CB THR A 18 8.735 -8.295 -7.448 1.00 0.00 C ATOM 286 OG1 THR A 18 9.805 -8.227 -6.445 1.00 0.00 O ATOM 287 CG2 THR A 18 8.856 -9.413 -8.514 1.00 0.00 C ATOM 0 H THR A 18 8.135 -7.841 -9.996 1.00 0.00 H new ATOM 0 HA THR A 18 7.478 -6.552 -7.470 1.00 0.00 H new ATOM 0 HB THR A 18 7.925 -8.589 -6.780 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.595 -7.801 -6.838 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.181 -10.337 -8.037 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.887 -9.571 -8.988 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.585 -9.119 -9.269 1.00 0.00 H new ATOM 295 N ILE A 19 9.180 -4.784 -8.413 1.00 0.00 N ATOM 296 CA ILE A 19 10.277 -3.835 -8.401 1.00 0.00 C ATOM 297 C ILE A 19 10.667 -3.700 -6.934 1.00 0.00 C ATOM 298 O ILE A 19 9.884 -4.041 -6.052 1.00 0.00 O ATOM 299 CB ILE A 19 9.845 -2.478 -8.964 1.00 0.00 C ATOM 300 CG1 ILE A 19 11.019 -1.720 -9.579 1.00 0.00 C ATOM 301 CG2 ILE A 19 9.059 -1.600 -7.985 1.00 0.00 C ATOM 302 CD1 ILE A 19 10.575 -0.391 -10.200 1.00 0.00 C ATOM 0 H ILE A 19 8.249 -4.410 -8.598 1.00 0.00 H new ATOM 0 HA ILE A 19 11.106 -4.174 -9.022 1.00 0.00 H new ATOM 0 HB ILE A 19 9.138 -2.719 -9.758 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.771 -1.530 -8.813 1.00 0.00 H new ATOM 0 HG13 ILE A 19 11.491 -2.338 -10.342 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.796 -0.660 -8.470 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.150 -2.118 -7.681 1.00 0.00 H new ATOM 0 HG23 ILE A 19 9.672 -1.396 -7.107 1.00 0.00 H new ATOM 0 HD11 ILE A 19 11.439 0.118 -10.627 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.843 -0.583 -10.984 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.127 0.238 -9.431 1.00 0.00 H new ATOM 314 N SER A 20 11.901 -3.222 -6.694 1.00 0.00 N ATOM 315 CA SER A 20 12.245 -3.077 -5.283 1.00 0.00 C ATOM 316 C SER A 20 11.315 -2.027 -4.652 1.00 0.00 C ATOM 317 O SER A 20 10.740 -1.160 -5.295 1.00 0.00 O ATOM 318 CB SER A 20 13.739 -2.656 -5.099 1.00 0.00 C ATOM 319 OG SER A 20 14.424 -2.659 -3.774 1.00 0.00 O ATOM 0 H SER A 20 12.606 -2.956 -7.381 1.00 0.00 H new ATOM 0 HA SER A 20 12.115 -4.039 -4.788 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.326 -3.302 -5.753 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.826 -1.642 -5.491 1.00 0.00 H new ATOM 0 HG SER A 20 15.352 -2.364 -3.885 1.00 0.00 H new ATOM 325 N ARG A 21 11.300 -2.124 -3.327 1.00 0.00 N ATOM 326 CA ARG A 21 10.482 -1.244 -2.509 1.00 0.00 C ATOM 327 C ARG A 21 10.891 0.215 -2.743 1.00 0.00 C ATOM 328 O ARG A 21 10.100 1.065 -3.127 1.00 0.00 O ATOM 329 CB ARG A 21 10.648 -1.682 -1.055 1.00 0.00 C ATOM 330 CG ARG A 21 9.631 -1.004 -0.135 1.00 0.00 C ATOM 331 CD ARG A 21 9.270 -1.865 1.080 1.00 0.00 C ATOM 332 NE ARG A 21 8.988 -1.025 2.238 1.00 0.00 N ATOM 333 CZ ARG A 21 9.976 -0.446 2.951 1.00 0.00 C ATOM 334 NH1 ARG A 21 11.248 -0.596 2.604 1.00 0.00 N ATOM 335 NH2 ARG A 21 9.676 0.291 4.011 1.00 0.00 N ATOM 0 H ARG A 21 11.846 -2.804 -2.799 1.00 0.00 H new ATOM 0 HA ARG A 21 9.427 -1.311 -2.775 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.535 -2.764 -0.987 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.657 -1.445 -0.718 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.035 -0.051 0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.726 -0.783 -0.701 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.401 -2.481 0.851 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.091 -2.544 1.308 1.00 0.00 H new ATOM 0 HE ARG A 21 8.019 -0.871 2.516 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.491 -1.156 1.787 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.983 -0.151 3.154 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.702 0.418 4.284 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.420 0.731 4.553 1.00 0.00 H new ATOM 349 N LYS A 22 12.202 0.421 -2.505 1.00 0.00 N ATOM 350 CA LYS A 22 12.787 1.741 -2.717 1.00 0.00 C ATOM 351 C LYS A 22 12.714 2.202 -4.161 1.00 0.00 C ATOM 352 O LYS A 22 12.842 3.388 -4.420 1.00 0.00 O ATOM 353 CB LYS A 22 14.210 1.862 -2.185 1.00 0.00 C ATOM 354 CG LYS A 22 15.151 0.809 -2.737 1.00 0.00 C ATOM 355 CD LYS A 22 15.614 1.007 -4.166 1.00 0.00 C ATOM 356 CE LYS A 22 17.114 0.732 -4.359 1.00 0.00 C ATOM 357 NZ LYS A 22 17.920 1.604 -3.510 1.00 0.00 N ATOM 0 H LYS A 22 12.852 -0.293 -2.176 1.00 0.00 H new ATOM 0 HA LYS A 22 12.162 2.413 -2.128 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.599 2.850 -2.430 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.191 1.788 -1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.031 0.766 -2.095 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.658 -0.161 -2.668 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.043 0.349 -4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.396 2.030 -4.474 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.329 -0.310 -4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.384 0.885 -5.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.820 1.816 -3.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.405 2.490 -3.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 18.110 1.128 -2.605 1.00 0.00 H new ATOM 371 N ASP A 23 12.479 1.221 -5.061 1.00 0.00 N ATOM 372 CA ASP A 23 12.459 1.545 -6.464 1.00 0.00 C ATOM 373 C ASP A 23 11.148 2.234 -6.851 1.00 0.00 C ATOM 374 O ASP A 23 11.097 3.353 -7.324 1.00 0.00 O ATOM 375 CB ASP A 23 12.669 0.346 -7.423 1.00 0.00 C ATOM 376 CG ASP A 23 14.150 -0.026 -7.631 1.00 0.00 C ATOM 377 OD1 ASP A 23 15.021 0.829 -7.463 1.00 0.00 O ATOM 378 OD2 ASP A 23 14.413 -1.175 -7.978 1.00 0.00 O ATOM 0 H ASP A 23 12.309 0.242 -4.833 1.00 0.00 H new ATOM 0 HA ASP A 23 13.315 2.209 -6.588 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.137 -0.520 -7.030 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.223 0.582 -8.389 1.00 0.00 H new ATOM 383 N ALA A 24 10.081 1.472 -6.612 1.00 0.00 N ATOM 384 CA ALA A 24 8.728 1.948 -6.893 1.00 0.00 C ATOM 385 C ALA A 24 8.489 3.335 -6.249 1.00 0.00 C ATOM 386 O ALA A 24 7.859 4.215 -6.823 1.00 0.00 O ATOM 387 CB ALA A 24 7.759 0.876 -6.400 1.00 0.00 C ATOM 0 H ALA A 24 10.127 0.529 -6.227 1.00 0.00 H new ATOM 0 HA ALA A 24 8.571 2.099 -7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.735 1.195 -6.592 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.953 -0.059 -6.926 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.897 0.725 -5.329 1.00 0.00 H new ATOM 393 N GLU A 25 9.047 3.430 -5.024 1.00 0.00 N ATOM 394 CA GLU A 25 9.011 4.634 -4.213 1.00 0.00 C ATOM 395 C GLU A 25 9.840 5.767 -4.851 1.00 0.00 C ATOM 396 O GLU A 25 9.446 6.918 -4.814 1.00 0.00 O ATOM 397 CB GLU A 25 9.499 4.337 -2.796 1.00 0.00 C ATOM 398 CG GLU A 25 8.520 3.466 -1.994 1.00 0.00 C ATOM 399 CD GLU A 25 9.028 3.269 -0.557 1.00 0.00 C ATOM 400 OE1 GLU A 25 9.315 4.261 0.116 1.00 0.00 O ATOM 401 OE2 GLU A 25 9.134 2.128 -0.121 1.00 0.00 O ATOM 0 H GLU A 25 9.538 2.655 -4.578 1.00 0.00 H new ATOM 0 HA GLU A 25 7.976 4.973 -4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.465 3.834 -2.848 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.657 5.277 -2.268 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.536 3.935 -1.977 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.403 2.498 -2.481 1.00 0.00 H new ATOM 408 N ARG A 26 10.987 5.392 -5.470 1.00 0.00 N ATOM 409 CA ARG A 26 11.875 6.390 -6.077 1.00 0.00 C ATOM 410 C ARG A 26 11.181 7.122 -7.229 1.00 0.00 C ATOM 411 O ARG A 26 11.386 8.306 -7.469 1.00 0.00 O ATOM 412 CB ARG A 26 13.166 5.718 -6.612 1.00 0.00 C ATOM 413 CG ARG A 26 13.167 5.197 -8.074 1.00 0.00 C ATOM 414 CD ARG A 26 14.090 3.994 -8.319 1.00 0.00 C ATOM 415 NE ARG A 26 15.046 4.291 -9.382 1.00 0.00 N ATOM 416 CZ ARG A 26 15.996 5.252 -9.270 1.00 0.00 C ATOM 417 NH1 ARG A 26 16.123 5.973 -8.161 1.00 0.00 N ATOM 418 NH2 ARG A 26 16.811 5.492 -10.287 1.00 0.00 N ATOM 0 H ARG A 26 11.306 4.427 -5.557 1.00 0.00 H new ATOM 0 HA ARG A 26 12.131 7.111 -5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.981 6.435 -6.513 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.400 4.878 -5.958 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.149 4.920 -8.349 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.466 6.010 -8.736 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.623 3.744 -7.402 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.496 3.121 -8.590 1.00 0.00 H new ATOM 0 HE ARG A 26 14.997 3.752 -10.247 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.498 5.809 -7.372 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.845 6.691 -8.099 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.722 4.955 -11.150 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.527 6.214 -10.207 1.00 0.00 H new ATOM 432 N GLN A 27 10.321 6.319 -7.886 1.00 0.00 N ATOM 433 CA GLN A 27 9.603 6.825 -9.043 1.00 0.00 C ATOM 434 C GLN A 27 8.459 7.751 -8.633 1.00 0.00 C ATOM 435 O GLN A 27 8.302 8.838 -9.178 1.00 0.00 O ATOM 436 CB GLN A 27 9.068 5.668 -9.904 1.00 0.00 C ATOM 437 CG GLN A 27 10.147 4.634 -10.274 1.00 0.00 C ATOM 438 CD GLN A 27 9.878 3.970 -11.632 1.00 0.00 C ATOM 439 OE1 GLN A 27 9.392 2.851 -11.737 1.00 0.00 O ATOM 440 NE2 GLN A 27 10.237 4.751 -12.664 1.00 0.00 N ATOM 0 H GLN A 27 10.119 5.351 -7.637 1.00 0.00 H new ATOM 0 HA GLN A 27 10.310 7.405 -9.636 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.263 5.166 -9.366 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.636 6.075 -10.818 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.121 5.122 -10.298 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.193 3.868 -9.500 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.636 5.674 -12.491 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.110 4.422 -13.621 1.00 0.00 H new ATOM 449 N LEU A 28 7.640 7.240 -7.686 1.00 0.00 N ATOM 450 CA LEU A 28 6.527 8.047 -7.222 1.00 0.00 C ATOM 451 C LEU A 28 7.003 9.354 -6.562 1.00 0.00 C ATOM 452 O LEU A 28 6.411 10.402 -6.775 1.00 0.00 O ATOM 453 CB LEU A 28 5.622 7.189 -6.341 1.00 0.00 C ATOM 454 CG LEU A 28 5.131 5.947 -7.110 1.00 0.00 C ATOM 455 CD1 LEU A 28 4.729 4.837 -6.130 1.00 0.00 C ATOM 456 CD2 LEU A 28 3.971 6.335 -8.048 1.00 0.00 C ATOM 0 H LEU A 28 7.732 6.319 -7.256 1.00 0.00 H new ATOM 0 HA LEU A 28 5.929 8.380 -8.070 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.164 6.879 -5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.767 7.777 -6.007 1.00 0.00 H new ATOM 0 HG LEU A 28 5.941 5.558 -7.726 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.384 3.966 -6.688 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.589 4.560 -5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.927 5.195 -5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.629 5.452 -8.588 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.148 6.742 -7.460 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.314 7.086 -8.760 1.00 0.00 H new ATOM 468 N LEU A 29 8.092 9.243 -5.760 1.00 0.00 N ATOM 469 CA LEU A 29 8.644 10.408 -5.070 1.00 0.00 C ATOM 470 C LEU A 29 9.320 11.403 -6.033 1.00 0.00 C ATOM 471 O LEU A 29 9.736 12.477 -5.618 1.00 0.00 O ATOM 472 CB LEU A 29 9.702 9.926 -4.080 1.00 0.00 C ATOM 473 CG LEU A 29 9.102 9.128 -2.924 1.00 0.00 C ATOM 474 CD1 LEU A 29 10.188 8.299 -2.235 1.00 0.00 C ATOM 475 CD2 LEU A 29 8.375 10.061 -1.938 1.00 0.00 C ATOM 0 H LEU A 29 8.589 8.370 -5.585 1.00 0.00 H new ATOM 0 HA LEU A 29 7.817 10.920 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.431 9.308 -4.604 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.241 10.786 -3.682 1.00 0.00 H new ATOM 0 HG LEU A 29 8.358 8.436 -3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.748 7.735 -1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.630 7.609 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.961 8.962 -1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.955 9.472 -1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.082 10.787 -1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.573 10.585 -2.457 1.00 0.00 H new ATOM 487 N ALA A 30 9.417 10.999 -7.317 1.00 0.00 N ATOM 488 CA ALA A 30 9.982 11.866 -8.336 1.00 0.00 C ATOM 489 C ALA A 30 9.051 13.075 -8.539 1.00 0.00 C ATOM 490 O ALA A 30 7.842 12.975 -8.357 1.00 0.00 O ATOM 491 CB ALA A 30 10.198 11.105 -9.648 1.00 0.00 C ATOM 0 H ALA A 30 9.112 10.087 -7.656 1.00 0.00 H new ATOM 0 HA ALA A 30 10.959 12.219 -8.008 1.00 0.00 H new ATOM 0 HB1 ALA A 30 10.622 11.778 -10.393 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.883 10.274 -9.478 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.243 10.721 -10.007 1.00 0.00 H new ATOM 497 N PRO A 31 9.659 14.230 -8.922 1.00 0.00 N ATOM 498 CA PRO A 31 8.907 15.452 -9.189 1.00 0.00 C ATOM 499 C PRO A 31 8.007 15.402 -10.442 1.00 0.00 C ATOM 500 O PRO A 31 7.333 16.370 -10.774 1.00 0.00 O ATOM 501 CB PRO A 31 9.973 16.538 -9.372 1.00 0.00 C ATOM 502 CG PRO A 31 11.296 15.804 -9.578 1.00 0.00 C ATOM 503 CD PRO A 31 11.099 14.400 -9.042 1.00 0.00 C ATOM 0 HA PRO A 31 8.216 15.629 -8.365 1.00 0.00 H new ATOM 0 HB2 PRO A 31 9.741 17.171 -10.229 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.020 17.188 -8.499 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.567 15.782 -10.634 1.00 0.00 H new ATOM 0 HG3 PRO A 31 12.106 16.310 -9.052 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.527 13.658 -9.716 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.591 14.275 -8.077 1.00 0.00 H new ATOM 511 N MET A 32 8.036 14.233 -11.113 1.00 0.00 N ATOM 512 CA MET A 32 7.253 14.034 -12.308 1.00 0.00 C ATOM 513 C MET A 32 5.756 13.890 -12.024 1.00 0.00 C ATOM 514 O MET A 32 4.929 14.277 -12.841 1.00 0.00 O ATOM 515 CB MET A 32 7.783 12.733 -12.886 1.00 0.00 C ATOM 516 CG MET A 32 9.121 12.906 -13.603 1.00 0.00 C ATOM 517 SD MET A 32 10.482 12.144 -12.706 1.00 0.00 S ATOM 518 CE MET A 32 9.993 10.416 -12.888 1.00 0.00 C ATOM 0 H MET A 32 8.596 13.427 -10.834 1.00 0.00 H new ATOM 0 HA MET A 32 7.344 14.891 -12.976 1.00 0.00 H new ATOM 0 HB2 MET A 32 7.897 12.004 -12.084 1.00 0.00 H new ATOM 0 HB3 MET A 32 7.052 12.326 -13.584 1.00 0.00 H new ATOM 0 HG2 MET A 32 9.056 12.469 -14.599 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.325 13.969 -13.734 1.00 0.00 H new ATOM 0 HE1 MET A 32 10.845 9.772 -12.669 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.182 10.193 -12.195 1.00 0.00 H new ATOM 0 HE3 MET A 32 9.657 10.239 -13.910 1.00 0.00 H new ATOM 528 N ASN A 33 5.460 13.370 -10.815 1.00 0.00 N ATOM 529 CA ASN A 33 4.056 13.206 -10.458 1.00 0.00 C ATOM 530 C ASN A 33 3.855 13.431 -8.942 1.00 0.00 C ATOM 531 O ASN A 33 4.767 13.821 -8.222 1.00 0.00 O ATOM 532 CB ASN A 33 3.621 11.787 -10.896 1.00 0.00 C ATOM 533 CG ASN A 33 3.622 11.567 -12.407 1.00 0.00 C ATOM 534 OD1 ASN A 33 4.347 10.733 -12.926 1.00 0.00 O ATOM 535 ND2 ASN A 33 2.745 12.346 -13.055 1.00 0.00 N ATOM 0 H ASN A 33 6.138 13.075 -10.112 1.00 0.00 H new ATOM 0 HA ASN A 33 3.437 13.945 -10.966 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.286 11.057 -10.434 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.619 11.593 -10.513 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.643 12.267 -14.067 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.179 13.018 -12.536 1.00 0.00 H new ATOM 542 N LYS A 34 2.604 13.148 -8.520 1.00 0.00 N ATOM 543 CA LYS A 34 2.196 13.334 -7.135 1.00 0.00 C ATOM 544 C LYS A 34 1.091 12.329 -6.779 1.00 0.00 C ATOM 545 O LYS A 34 0.852 11.391 -7.530 1.00 0.00 O ATOM 546 CB LYS A 34 1.803 14.805 -6.924 1.00 0.00 C ATOM 547 CG LYS A 34 0.892 15.383 -8.013 1.00 0.00 C ATOM 548 CD LYS A 34 -0.410 14.602 -8.217 1.00 0.00 C ATOM 549 CE LYS A 34 -1.420 15.398 -9.039 1.00 0.00 C ATOM 550 NZ LYS A 34 -2.621 15.681 -8.257 1.00 0.00 N ATOM 0 H LYS A 34 1.868 12.790 -9.129 1.00 0.00 H new ATOM 0 HA LYS A 34 3.016 13.128 -6.448 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.301 14.899 -5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.711 15.406 -6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.649 16.415 -7.759 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.440 15.408 -8.955 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.194 13.659 -8.719 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.843 14.355 -7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.969 16.333 -9.371 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.688 14.838 -9.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.293 16.223 -8.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.062 14.787 -7.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.365 16.235 -7.415 1.00 0.00 H new ATOM 564 N ALA A 35 0.377 12.647 -5.662 1.00 0.00 N ATOM 565 CA ALA A 35 -0.716 11.841 -5.129 1.00 0.00 C ATOM 566 C ALA A 35 -1.672 11.349 -6.247 1.00 0.00 C ATOM 567 O ALA A 35 -2.491 12.101 -6.765 1.00 0.00 O ATOM 568 CB ALA A 35 -1.458 12.650 -4.046 1.00 0.00 C ATOM 0 H ALA A 35 0.562 13.486 -5.112 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.303 10.941 -4.674 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.277 12.053 -3.643 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.765 12.905 -3.244 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.857 13.565 -4.485 1.00 0.00 H new ATOM 574 N GLY A 36 -1.528 10.037 -6.551 1.00 0.00 N ATOM 575 CA GLY A 36 -2.319 9.407 -7.608 1.00 0.00 C ATOM 576 C GLY A 36 -1.493 8.495 -8.484 1.00 0.00 C ATOM 577 O GLY A 36 -1.972 7.632 -9.195 1.00 0.00 O ATOM 0 H GLY A 36 -0.877 9.410 -6.079 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.131 8.836 -7.158 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.777 10.180 -8.224 1.00 0.00 H new ATOM 581 N SER A 37 -0.226 8.875 -8.544 1.00 0.00 N ATOM 582 CA SER A 37 0.693 8.006 -9.208 1.00 0.00 C ATOM 583 C SER A 37 0.831 6.762 -8.310 1.00 0.00 C ATOM 584 O SER A 37 0.912 6.921 -7.088 1.00 0.00 O ATOM 585 CB SER A 37 2.005 8.711 -9.533 1.00 0.00 C ATOM 586 OG SER A 37 2.796 9.122 -8.334 1.00 0.00 O ATOM 0 H SER A 37 0.162 9.736 -8.159 1.00 0.00 H new ATOM 0 HA SER A 37 0.332 7.697 -10.189 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.616 8.050 -10.148 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.790 9.596 -10.132 1.00 0.00 H new ATOM 0 HG SER A 37 2.350 9.873 -7.889 1.00 0.00 H new ATOM 592 N PHE A 38 0.867 5.537 -8.923 1.00 0.00 N ATOM 593 CA PHE A 38 0.999 4.353 -8.034 1.00 0.00 C ATOM 594 C PHE A 38 1.934 3.304 -8.696 1.00 0.00 C ATOM 595 O PHE A 38 2.317 3.406 -9.866 1.00 0.00 O ATOM 596 CB PHE A 38 -0.326 3.564 -7.845 1.00 0.00 C ATOM 597 CG PHE A 38 -1.515 4.446 -7.825 1.00 0.00 C ATOM 598 CD1 PHE A 38 -1.684 5.391 -6.840 1.00 0.00 C ATOM 599 CD2 PHE A 38 -2.422 4.321 -8.873 1.00 0.00 C ATOM 600 CE1 PHE A 38 -2.769 6.233 -6.901 1.00 0.00 C ATOM 601 CE2 PHE A 38 -3.500 5.165 -8.946 1.00 0.00 C ATOM 602 CZ PHE A 38 -3.650 6.116 -7.954 1.00 0.00 C ATOM 0 H PHE A 38 0.812 5.357 -9.925 1.00 0.00 H new ATOM 0 HA PHE A 38 1.355 4.759 -7.087 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.430 2.838 -8.651 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.280 3.001 -6.913 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.974 5.470 -6.030 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.277 3.561 -9.627 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.929 6.976 -6.134 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.211 5.089 -9.755 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.490 6.793 -8.006 1.00 0.00 H new ATOM 612 N LEU A 39 2.169 2.270 -7.865 1.00 0.00 N ATOM 613 CA LEU A 39 2.991 1.116 -8.160 1.00 0.00 C ATOM 614 C LEU A 39 2.423 -0.037 -7.394 1.00 0.00 C ATOM 615 O LEU A 39 2.412 0.021 -6.175 1.00 0.00 O ATOM 616 CB LEU A 39 4.461 1.335 -7.714 1.00 0.00 C ATOM 617 CG LEU A 39 5.369 1.961 -8.806 1.00 0.00 C ATOM 618 CD1 LEU A 39 5.241 0.950 -9.889 1.00 0.00 C ATOM 619 CD2 LEU A 39 5.128 3.389 -9.432 1.00 0.00 C ATOM 0 H LEU A 39 1.764 2.230 -6.930 1.00 0.00 H new ATOM 0 HA LEU A 39 2.991 0.936 -9.235 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.470 1.980 -6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.884 0.377 -7.411 1.00 0.00 H new ATOM 0 HG LEU A 39 6.322 2.167 -8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.839 1.258 -10.747 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.595 -0.016 -9.529 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.196 0.866 -10.186 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.900 3.596 -10.173 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.149 3.416 -9.910 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.169 4.143 -8.646 1.00 0.00 H new ATOM 631 N ILE A 40 1.990 -1.096 -8.147 1.00 0.00 N ATOM 632 CA ILE A 40 1.419 -2.164 -7.348 1.00 0.00 C ATOM 633 C ILE A 40 2.513 -3.239 -7.604 1.00 0.00 C ATOM 634 O ILE A 40 2.506 -3.920 -8.618 1.00 0.00 O ATOM 635 CB ILE A 40 -0.053 -2.450 -7.836 1.00 0.00 C ATOM 636 CG1 ILE A 40 -0.962 -2.939 -6.719 1.00 0.00 C ATOM 637 CG2 ILE A 40 -0.196 -3.694 -8.733 1.00 0.00 C ATOM 638 CD1 ILE A 40 -2.397 -2.439 -6.995 1.00 0.00 C ATOM 0 H ILE A 40 2.024 -1.210 -9.160 1.00 0.00 H new ATOM 0 HA ILE A 40 1.249 -2.022 -6.281 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.298 -1.495 -8.301 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.945 -4.028 -6.667 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.611 -2.568 -5.756 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.240 -3.816 -9.022 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.416 -3.571 -9.626 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.134 -4.577 -8.186 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.061 -2.782 -6.202 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.403 -1.349 -7.027 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.742 -2.832 -7.952 1.00 0.00 H new ATOM 650 N ARG A 41 3.470 -3.335 -6.649 1.00 0.00 N ATOM 651 CA ARG A 41 4.545 -4.282 -6.858 1.00 0.00 C ATOM 652 C ARG A 41 4.153 -5.584 -6.151 1.00 0.00 C ATOM 653 O ARG A 41 3.308 -5.588 -5.265 1.00 0.00 O ATOM 654 CB ARG A 41 5.834 -3.627 -6.317 1.00 0.00 C ATOM 655 CG ARG A 41 6.132 -3.798 -4.817 1.00 0.00 C ATOM 656 CD ARG A 41 6.904 -5.092 -4.516 1.00 0.00 C ATOM 657 NE ARG A 41 7.744 -4.936 -3.337 1.00 0.00 N ATOM 658 CZ ARG A 41 7.285 -5.122 -2.085 1.00 0.00 C ATOM 659 NH1 ARG A 41 6.019 -5.436 -1.854 1.00 0.00 N ATOM 660 NH2 ARG A 41 8.112 -4.986 -1.057 1.00 0.00 N ATOM 0 H ARG A 41 3.507 -2.796 -5.784 1.00 0.00 H new ATOM 0 HA ARG A 41 4.724 -4.532 -7.904 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.678 -4.029 -6.877 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.787 -2.560 -6.533 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.710 -2.943 -4.465 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.194 -3.800 -4.261 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.202 -5.911 -4.361 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.521 -5.360 -5.374 1.00 0.00 H new ATOM 0 HE ARG A 41 8.722 -4.675 -3.465 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.369 -5.542 -2.633 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.694 -5.572 -0.897 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.089 -4.742 -1.217 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.771 -5.125 -0.106 1.00 0.00 H new ATOM 674 N GLU A 42 4.782 -6.676 -6.617 1.00 0.00 N ATOM 675 CA GLU A 42 4.498 -7.987 -6.049 1.00 0.00 C ATOM 676 C GLU A 42 5.503 -8.361 -4.981 1.00 0.00 C ATOM 677 O GLU A 42 6.688 -8.120 -5.141 1.00 0.00 O ATOM 678 CB GLU A 42 4.378 -9.035 -7.177 1.00 0.00 C ATOM 679 CG GLU A 42 5.679 -9.591 -7.747 1.00 0.00 C ATOM 680 CD GLU A 42 5.419 -10.584 -8.900 1.00 0.00 C ATOM 681 OE1 GLU A 42 4.586 -10.297 -9.759 1.00 0.00 O ATOM 682 OE2 GLU A 42 6.056 -11.636 -8.928 1.00 0.00 O ATOM 0 H GLU A 42 5.473 -6.671 -7.367 1.00 0.00 H new ATOM 0 HA GLU A 42 3.536 -7.955 -5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.788 -9.871 -6.801 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.813 -8.589 -7.995 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.299 -8.770 -8.107 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.239 -10.090 -6.956 1.00 0.00 H new ATOM 689 N SER A 43 5.013 -9.005 -3.898 1.00 0.00 N ATOM 690 CA SER A 43 6.035 -9.417 -2.931 1.00 0.00 C ATOM 691 C SER A 43 6.703 -10.655 -3.589 1.00 0.00 C ATOM 692 O SER A 43 6.031 -11.628 -3.887 1.00 0.00 O ATOM 693 CB SER A 43 5.422 -9.693 -1.532 1.00 0.00 C ATOM 694 OG SER A 43 6.557 -9.398 -0.585 1.00 0.00 O ATOM 0 H SER A 43 4.040 -9.227 -3.690 1.00 0.00 H new ATOM 0 HA SER A 43 6.774 -8.642 -2.728 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.561 -9.053 -1.338 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.080 -10.724 -1.440 1.00 0.00 H new ATOM 0 HG SER A 43 6.260 -9.545 0.337 1.00 0.00 H new ATOM 700 N GLU A 44 8.019 -10.582 -3.855 1.00 0.00 N ATOM 701 CA GLU A 44 8.693 -11.707 -4.518 1.00 0.00 C ATOM 702 C GLU A 44 8.869 -12.948 -3.607 1.00 0.00 C ATOM 703 O GLU A 44 9.692 -13.813 -3.888 1.00 0.00 O ATOM 704 CB GLU A 44 10.009 -11.253 -5.157 1.00 0.00 C ATOM 705 CG GLU A 44 10.932 -10.488 -4.190 1.00 0.00 C ATOM 706 CD GLU A 44 12.307 -10.108 -4.780 1.00 0.00 C ATOM 707 OE1 GLU A 44 12.359 -9.553 -5.877 1.00 0.00 O ATOM 708 OE2 GLU A 44 13.320 -10.355 -4.123 1.00 0.00 O ATOM 0 H GLU A 44 8.617 -9.787 -3.630 1.00 0.00 H new ATOM 0 HA GLU A 44 8.032 -12.043 -5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.539 -12.126 -5.537 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.787 -10.617 -6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.425 -9.578 -3.868 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.089 -11.097 -3.300 1.00 0.00 H new ATOM 715 N SER A 45 8.090 -12.987 -2.501 1.00 0.00 N ATOM 716 CA SER A 45 8.152 -14.106 -1.571 1.00 0.00 C ATOM 717 C SER A 45 6.755 -14.450 -0.997 1.00 0.00 C ATOM 718 O SER A 45 6.638 -15.166 -0.010 1.00 0.00 O ATOM 719 CB SER A 45 9.201 -13.811 -0.487 1.00 0.00 C ATOM 720 OG SER A 45 8.539 -12.876 0.488 1.00 0.00 O ATOM 0 H SER A 45 7.423 -12.259 -2.245 1.00 0.00 H new ATOM 0 HA SER A 45 8.470 -15.003 -2.102 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.520 -14.729 0.007 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.092 -13.356 -0.920 1.00 0.00 H new ATOM 0 HG SER A 45 9.167 -12.654 1.207 1.00 0.00 H new ATOM 726 N ASN A 46 5.713 -13.915 -1.673 1.00 0.00 N ATOM 727 CA ASN A 46 4.333 -14.126 -1.255 1.00 0.00 C ATOM 728 C ASN A 46 3.593 -15.217 -2.031 1.00 0.00 C ATOM 729 O ASN A 46 3.967 -15.637 -3.118 1.00 0.00 O ATOM 730 CB ASN A 46 3.528 -12.843 -1.494 1.00 0.00 C ATOM 731 CG ASN A 46 3.524 -12.243 -2.936 1.00 0.00 C ATOM 732 OD1 ASN A 46 3.328 -11.054 -3.083 1.00 0.00 O ATOM 733 ND2 ASN A 46 3.748 -13.038 -3.993 1.00 0.00 N ATOM 0 H ASN A 46 5.815 -13.337 -2.507 1.00 0.00 H new ATOM 0 HA ASN A 46 4.401 -14.422 -0.208 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.494 -13.039 -1.210 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.906 -12.079 -0.815 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.755 -12.645 -4.934 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.911 -14.035 -3.855 1.00 0.00 H new ATOM 740 N LYS A 47 2.517 -15.660 -1.356 1.00 0.00 N ATOM 741 CA LYS A 47 1.538 -16.586 -1.919 1.00 0.00 C ATOM 742 C LYS A 47 0.614 -15.947 -2.993 1.00 0.00 C ATOM 743 O LYS A 47 -0.567 -16.269 -3.068 1.00 0.00 O ATOM 744 CB LYS A 47 0.895 -17.503 -0.874 1.00 0.00 C ATOM 745 CG LYS A 47 0.454 -16.741 0.347 1.00 0.00 C ATOM 746 CD LYS A 47 -0.455 -15.604 -0.076 1.00 0.00 C ATOM 747 CE LYS A 47 -1.253 -14.972 1.049 1.00 0.00 C ATOM 748 NZ LYS A 47 -2.383 -14.181 0.565 1.00 0.00 N ATOM 0 H LYS A 47 2.308 -15.379 -0.398 1.00 0.00 H new ATOM 0 HA LYS A 47 2.091 -17.304 -2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.037 -18.010 -1.315 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.606 -18.276 -0.582 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.070 -17.405 1.035 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.321 -16.350 0.879 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.150 -14.832 -0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.149 -15.974 -0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.621 -15.755 1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.596 -14.335 1.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.267 -13.191 0.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.420 -14.228 -0.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.267 -14.560 0.960 1.00 0.00 H new ATOM 762 N GLY A 48 1.179 -15.039 -3.813 1.00 0.00 N ATOM 763 CA GLY A 48 0.370 -14.354 -4.813 1.00 0.00 C ATOM 764 C GLY A 48 -0.199 -13.042 -4.254 1.00 0.00 C ATOM 765 O GLY A 48 -1.323 -12.649 -4.541 1.00 0.00 O ATOM 0 H GLY A 48 2.164 -14.775 -3.798 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.975 -14.146 -5.695 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.446 -15.002 -5.132 1.00 0.00 H new ATOM 769 N ALA A 49 0.673 -12.392 -3.449 1.00 0.00 N ATOM 770 CA ALA A 49 0.303 -11.096 -2.842 1.00 0.00 C ATOM 771 C ALA A 49 0.858 -9.917 -3.684 1.00 0.00 C ATOM 772 O ALA A 49 1.657 -10.075 -4.598 1.00 0.00 O ATOM 773 CB ALA A 49 0.805 -10.951 -1.375 1.00 0.00 C ATOM 0 H ALA A 49 1.606 -12.730 -3.211 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.787 -11.068 -2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.504 -9.980 -0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.371 -11.741 -0.762 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.892 -11.030 -1.353 1.00 0.00 H new ATOM 779 N PHE A 50 0.361 -8.726 -3.308 1.00 0.00 N ATOM 780 CA PHE A 50 0.754 -7.474 -3.946 1.00 0.00 C ATOM 781 C PHE A 50 0.856 -6.381 -2.842 1.00 0.00 C ATOM 782 O PHE A 50 0.418 -6.563 -1.712 1.00 0.00 O ATOM 783 CB PHE A 50 -0.155 -7.136 -5.163 1.00 0.00 C ATOM 784 CG PHE A 50 0.243 -7.804 -6.453 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.193 -9.086 -6.778 1.00 0.00 C ATOM 786 CD2 PHE A 50 1.005 -7.110 -7.381 1.00 0.00 C ATOM 787 CE1 PHE A 50 0.114 -9.645 -8.009 1.00 0.00 C ATOM 788 CE2 PHE A 50 1.274 -7.645 -8.628 1.00 0.00 C ATOM 789 CZ PHE A 50 0.823 -8.915 -8.946 1.00 0.00 C ATOM 0 H PHE A 50 -0.320 -8.612 -2.557 1.00 0.00 H new ATOM 0 HA PHE A 50 1.741 -7.551 -4.402 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.180 -7.421 -4.924 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.151 -6.056 -5.313 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.776 -9.650 -6.065 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.395 -6.136 -7.126 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.201 -10.653 -8.237 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.835 -7.073 -9.352 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.024 -9.334 -9.921 1.00 0.00 H new ATOM 799 N SER A 51 1.427 -5.238 -3.277 1.00 0.00 N ATOM 800 CA SER A 51 1.693 -4.045 -2.471 1.00 0.00 C ATOM 801 C SER A 51 1.560 -2.807 -3.365 1.00 0.00 C ATOM 802 O SER A 51 2.175 -2.759 -4.409 1.00 0.00 O ATOM 803 CB SER A 51 3.108 -4.078 -1.864 1.00 0.00 C ATOM 804 OG SER A 51 3.088 -5.310 -1.004 1.00 0.00 O ATOM 0 H SER A 51 1.726 -5.125 -4.246 1.00 0.00 H new ATOM 0 HA SER A 51 0.974 -4.013 -1.653 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.875 -4.139 -2.636 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.315 -3.182 -1.278 1.00 0.00 H new ATOM 0 HG SER A 51 3.806 -5.257 -0.339 1.00 0.00 H new ATOM 810 N LEU A 52 0.768 -1.827 -2.911 1.00 0.00 N ATOM 811 CA LEU A 52 0.515 -0.595 -3.671 1.00 0.00 C ATOM 812 C LEU A 52 1.078 0.621 -2.894 1.00 0.00 C ATOM 813 O LEU A 52 0.788 0.844 -1.727 1.00 0.00 O ATOM 814 CB LEU A 52 -1.043 -0.532 -3.684 1.00 0.00 C ATOM 815 CG LEU A 52 -1.738 0.730 -4.234 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.405 0.890 -5.706 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.281 0.694 -4.052 1.00 0.00 C ATOM 0 H LEU A 52 0.287 -1.864 -2.012 1.00 0.00 H new ATOM 0 HA LEU A 52 0.969 -0.582 -4.662 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.401 -1.383 -4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.386 -0.676 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.366 1.579 -3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.896 1.782 -6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.326 0.988 -5.826 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.753 0.015 -6.255 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.717 1.607 -4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.690 -0.168 -4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.521 0.617 -2.991 1.00 0.00 H new ATOM 829 N SER A 53 1.924 1.345 -3.652 1.00 0.00 N ATOM 830 CA SER A 53 2.622 2.560 -3.272 1.00 0.00 C ATOM 831 C SER A 53 1.871 3.725 -3.943 1.00 0.00 C ATOM 832 O SER A 53 1.578 3.666 -5.127 1.00 0.00 O ATOM 833 CB SER A 53 4.084 2.484 -3.793 1.00 0.00 C ATOM 834 OG SER A 53 5.131 1.644 -3.159 1.00 0.00 O ATOM 0 H SER A 53 2.144 1.066 -4.608 1.00 0.00 H new ATOM 0 HA SER A 53 2.651 2.695 -2.191 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.024 2.168 -4.834 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.465 3.505 -3.791 1.00 0.00 H new ATOM 0 HG SER A 53 5.973 1.746 -3.649 1.00 0.00 H new ATOM 840 N VAL A 54 1.612 4.784 -3.156 1.00 0.00 N ATOM 841 CA VAL A 54 0.909 5.953 -3.710 1.00 0.00 C ATOM 842 C VAL A 54 1.607 7.155 -3.131 1.00 0.00 C ATOM 843 O VAL A 54 2.127 7.058 -2.035 1.00 0.00 O ATOM 844 CB VAL A 54 -0.591 6.037 -3.302 1.00 0.00 C ATOM 845 CG1 VAL A 54 -1.282 7.276 -3.917 1.00 0.00 C ATOM 846 CG2 VAL A 54 -1.350 4.741 -3.639 1.00 0.00 C ATOM 0 H VAL A 54 1.868 4.856 -2.171 1.00 0.00 H new ATOM 0 HA VAL A 54 0.933 5.891 -4.798 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.620 6.154 -2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.327 7.300 -3.609 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.782 8.181 -3.572 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.225 7.222 -5.004 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.393 4.841 -3.338 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.298 4.557 -4.712 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.897 3.905 -3.106 1.00 0.00 H new ATOM 856 N LYS A 55 1.601 8.289 -3.836 1.00 0.00 N ATOM 857 CA LYS A 55 2.297 9.382 -3.175 1.00 0.00 C ATOM 858 C LYS A 55 1.414 10.016 -2.103 1.00 0.00 C ATOM 859 O LYS A 55 0.275 10.415 -2.390 1.00 0.00 O ATOM 860 CB LYS A 55 2.696 10.337 -4.262 1.00 0.00 C ATOM 861 CG LYS A 55 3.425 11.644 -3.885 1.00 0.00 C ATOM 862 CD LYS A 55 4.921 11.639 -4.267 1.00 0.00 C ATOM 863 CE LYS A 55 5.312 12.731 -5.282 1.00 0.00 C ATOM 864 NZ LYS A 55 6.713 13.130 -5.203 1.00 0.00 N ATOM 0 H LYS A 55 1.179 8.464 -4.748 1.00 0.00 H new ATOM 0 HA LYS A 55 3.185 9.045 -2.640 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.335 9.794 -4.958 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.792 10.611 -4.807 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.933 12.482 -4.379 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.331 11.808 -2.811 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.517 11.767 -3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.176 10.664 -4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.102 12.371 -6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.684 13.607 -5.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.781 14.167 -5.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.123 12.785 -4.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.236 12.723 -6.005 1.00 0.00 H new ATOM 878 N ASP A 56 1.987 10.131 -0.897 1.00 0.00 N ATOM 879 CA ASP A 56 1.227 10.823 0.133 1.00 0.00 C ATOM 880 C ASP A 56 1.931 12.163 0.250 1.00 0.00 C ATOM 881 O ASP A 56 3.119 12.315 -0.002 1.00 0.00 O ATOM 882 CB ASP A 56 1.199 10.011 1.434 1.00 0.00 C ATOM 883 CG ASP A 56 0.837 10.821 2.699 1.00 0.00 C ATOM 884 OD1 ASP A 56 -0.305 11.263 2.815 1.00 0.00 O ATOM 885 OD2 ASP A 56 1.696 10.994 3.560 1.00 0.00 O ATOM 0 H ASP A 56 2.906 9.780 -0.629 1.00 0.00 H new ATOM 0 HA ASP A 56 0.172 10.956 -0.104 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.481 9.199 1.323 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.177 9.554 1.581 1.00 0.00 H new ATOM 890 N ILE A 57 1.075 13.117 0.620 1.00 0.00 N ATOM 891 CA ILE A 57 1.507 14.496 0.676 1.00 0.00 C ATOM 892 C ILE A 57 0.716 15.186 1.769 1.00 0.00 C ATOM 893 O ILE A 57 -0.485 15.403 1.675 1.00 0.00 O ATOM 894 CB ILE A 57 1.197 15.190 -0.663 1.00 0.00 C ATOM 895 CG1 ILE A 57 1.611 14.348 -1.893 1.00 0.00 C ATOM 896 CG2 ILE A 57 1.854 16.575 -0.689 1.00 0.00 C ATOM 897 CD1 ILE A 57 1.736 15.161 -3.170 1.00 0.00 C ATOM 0 H ILE A 57 0.101 12.957 0.878 1.00 0.00 H new ATOM 0 HA ILE A 57 2.578 14.546 0.872 1.00 0.00 H new ATOM 0 HB ILE A 57 0.115 15.301 -0.732 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.565 13.862 -1.686 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.877 13.557 -2.046 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.633 17.065 -1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.463 17.178 0.130 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.933 16.468 -0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.029 14.506 -3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.777 15.626 -3.401 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.491 15.935 -3.036 1.00 0.00 H new ATOM 909 N THR A 58 1.488 15.417 2.838 1.00 0.00 N ATOM 910 CA THR A 58 0.981 16.056 4.046 1.00 0.00 C ATOM 911 C THR A 58 1.800 17.328 4.315 1.00 0.00 C ATOM 912 O THR A 58 2.704 17.679 3.562 1.00 0.00 O ATOM 913 CB THR A 58 1.107 14.986 5.177 1.00 0.00 C ATOM 914 OG1 THR A 58 0.637 15.167 6.555 1.00 0.00 O ATOM 915 CG2 THR A 58 2.573 14.539 5.284 1.00 0.00 C ATOM 0 H THR A 58 2.475 15.166 2.885 1.00 0.00 H new ATOM 0 HA THR A 58 -0.058 16.376 3.970 1.00 0.00 H new ATOM 0 HB THR A 58 0.362 14.289 4.793 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.401 15.132 7.168 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.669 13.792 6.072 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.892 14.109 4.335 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.199 15.399 5.521 1.00 0.00 H new ATOM 923 N THR A 59 1.398 18.001 5.423 1.00 0.00 N ATOM 924 CA THR A 59 2.040 19.244 5.874 1.00 0.00 C ATOM 925 C THR A 59 3.513 19.028 6.307 1.00 0.00 C ATOM 926 O THR A 59 4.196 19.988 6.620 1.00 0.00 O ATOM 927 CB THR A 59 1.214 20.082 6.946 1.00 0.00 C ATOM 928 OG1 THR A 59 1.398 21.537 7.094 1.00 0.00 O ATOM 929 CG2 THR A 59 1.268 19.450 8.355 1.00 0.00 C ATOM 0 H THR A 59 0.628 17.695 6.017 1.00 0.00 H new ATOM 0 HA THR A 59 2.048 19.875 4.985 1.00 0.00 H new ATOM 0 HB THR A 59 0.241 20.008 6.460 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.805 21.872 7.799 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.689 20.059 9.049 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.849 18.444 8.319 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.303 19.400 8.692 1.00 0.00 H new ATOM 937 N GLN A 60 3.940 17.734 6.328 1.00 0.00 N ATOM 938 CA GLN A 60 5.321 17.465 6.751 1.00 0.00 C ATOM 939 C GLN A 60 6.304 17.384 5.563 1.00 0.00 C ATOM 940 O GLN A 60 7.090 18.311 5.345 1.00 0.00 O ATOM 941 CB GLN A 60 5.378 16.158 7.557 1.00 0.00 C ATOM 942 CG GLN A 60 4.627 16.208 8.915 1.00 0.00 C ATOM 943 CD GLN A 60 3.534 15.139 8.981 1.00 0.00 C ATOM 944 OE1 GLN A 60 2.447 15.333 8.465 1.00 0.00 O ATOM 945 NE2 GLN A 60 3.885 14.019 9.631 1.00 0.00 N ATOM 0 H GLN A 60 3.383 16.919 6.073 1.00 0.00 H new ATOM 0 HA GLN A 60 5.632 18.305 7.373 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.958 15.354 6.953 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.422 15.905 7.742 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.335 16.060 9.731 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.184 17.194 9.053 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.817 13.935 10.036 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.219 13.251 9.720 1.00 0.00 H new ATOM 954 N GLY A 61 6.157 16.323 4.761 1.00 0.00 N ATOM 955 CA GLY A 61 7.017 16.137 3.600 1.00 0.00 C ATOM 956 C GLY A 61 6.344 15.207 2.588 1.00 0.00 C ATOM 957 O GLY A 61 5.263 14.676 2.817 1.00 0.00 O ATOM 0 H GLY A 61 5.459 15.592 4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.227 17.101 3.136 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.974 15.717 3.910 1.00 0.00 H new ATOM 961 N GLU A 62 7.044 15.090 1.435 1.00 0.00 N ATOM 962 CA GLU A 62 6.601 14.261 0.335 1.00 0.00 C ATOM 963 C GLU A 62 7.075 12.821 0.549 1.00 0.00 C ATOM 964 O GLU A 62 8.262 12.548 0.672 1.00 0.00 O ATOM 965 CB GLU A 62 7.211 14.832 -0.944 1.00 0.00 C ATOM 966 CG GLU A 62 6.293 14.546 -2.125 1.00 0.00 C ATOM 967 CD GLU A 62 6.492 15.579 -3.243 1.00 0.00 C ATOM 968 OE1 GLU A 62 7.552 15.576 -3.867 1.00 0.00 O ATOM 969 OE2 GLU A 62 5.578 16.367 -3.482 1.00 0.00 O ATOM 0 H GLU A 62 7.925 15.573 1.261 1.00 0.00 H new ATOM 0 HA GLU A 62 5.513 14.254 0.268 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.359 15.907 -0.839 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.192 14.390 -1.119 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.492 13.546 -2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.255 14.559 -1.794 1.00 0.00 H new ATOM 976 N VAL A 63 6.061 11.932 0.572 1.00 0.00 N ATOM 977 CA VAL A 63 6.302 10.517 0.800 1.00 0.00 C ATOM 978 C VAL A 63 5.462 9.679 -0.185 1.00 0.00 C ATOM 979 O VAL A 63 4.780 10.192 -1.063 1.00 0.00 O ATOM 980 CB VAL A 63 5.961 10.216 2.276 1.00 0.00 C ATOM 981 CG1 VAL A 63 6.677 11.173 3.243 1.00 0.00 C ATOM 982 CG2 VAL A 63 4.445 10.209 2.538 1.00 0.00 C ATOM 0 H VAL A 63 5.081 12.179 0.435 1.00 0.00 H new ATOM 0 HA VAL A 63 7.344 10.254 0.621 1.00 0.00 H new ATOM 0 HB VAL A 63 6.331 9.209 2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.407 10.923 4.269 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.756 11.077 3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.377 12.199 3.028 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.259 9.993 3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.028 11.185 2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.973 9.444 1.921 1.00 0.00 H new ATOM 992 N VAL A 64 5.546 8.352 0.058 1.00 0.00 N ATOM 993 CA VAL A 64 4.780 7.356 -0.680 1.00 0.00 C ATOM 994 C VAL A 64 3.766 6.841 0.337 1.00 0.00 C ATOM 995 O VAL A 64 3.506 7.461 1.350 1.00 0.00 O ATOM 996 CB VAL A 64 5.687 6.280 -1.352 1.00 0.00 C ATOM 997 CG1 VAL A 64 5.010 5.287 -2.304 1.00 0.00 C ATOM 998 CG2 VAL A 64 6.642 6.983 -2.262 1.00 0.00 C ATOM 0 H VAL A 64 6.152 7.954 0.775 1.00 0.00 H new ATOM 0 HA VAL A 64 4.261 7.759 -1.550 1.00 0.00 H new ATOM 0 HB VAL A 64 6.096 5.734 -0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.755 4.597 -2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.247 4.727 -1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.546 5.831 -3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.289 6.251 -2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.084 7.532 -3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.250 7.679 -1.684 1.00 0.00 H new ATOM 1008 N LYS A 65 3.173 5.719 -0.010 1.00 0.00 N ATOM 1009 CA LYS A 65 2.224 5.013 0.823 1.00 0.00 C ATOM 1010 C LYS A 65 2.533 3.548 0.725 1.00 0.00 C ATOM 1011 O LYS A 65 3.142 3.115 -0.232 1.00 0.00 O ATOM 1012 CB LYS A 65 0.796 5.278 0.354 1.00 0.00 C ATOM 1013 CG LYS A 65 0.347 6.665 0.781 1.00 0.00 C ATOM 1014 CD LYS A 65 0.393 6.791 2.321 1.00 0.00 C ATOM 1015 CE LYS A 65 -0.807 7.485 2.946 1.00 0.00 C ATOM 1016 NZ LYS A 65 -1.432 6.703 4.018 1.00 0.00 N ATOM 0 H LYS A 65 3.343 5.260 -0.905 1.00 0.00 H new ATOM 0 HA LYS A 65 2.304 5.355 1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.740 5.189 -0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.124 4.527 0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.991 7.419 0.328 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.665 6.854 0.424 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.480 5.793 2.750 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.295 7.337 2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.494 8.450 3.344 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.547 7.685 2.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.903 7.345 4.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.134 6.053 3.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.703 6.156 4.519 1.00 0.00 H new ATOM 1030 N HIS A 66 1.999 2.807 1.705 1.00 0.00 N ATOM 1031 CA HIS A 66 2.224 1.376 1.688 1.00 0.00 C ATOM 1032 C HIS A 66 0.944 0.639 2.139 1.00 0.00 C ATOM 1033 O HIS A 66 0.661 0.545 3.327 1.00 0.00 O ATOM 1034 CB HIS A 66 3.333 1.064 2.717 1.00 0.00 C ATOM 1035 CG HIS A 66 4.715 1.263 2.152 1.00 0.00 C ATOM 1036 ND1 HIS A 66 5.488 2.340 2.399 1.00 0.00 N ATOM 1037 CD2 HIS A 66 5.434 0.368 1.347 1.00 0.00 C ATOM 1038 CE1 HIS A 66 6.646 2.105 1.765 1.00 0.00 C ATOM 1039 NE2 HIS A 66 6.643 0.923 1.121 1.00 0.00 N ATOM 0 H HIS A 66 1.437 3.161 2.479 1.00 0.00 H new ATOM 0 HA HIS A 66 2.500 1.056 0.683 1.00 0.00 H new ATOM 0 HB2 HIS A 66 3.205 1.704 3.590 1.00 0.00 H new ATOM 0 HB3 HIS A 66 3.228 0.034 3.059 1.00 0.00 H new ATOM 0 HD2 HIS A 66 5.086 -0.585 0.978 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.484 2.786 1.770 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.404 0.525 0.571 1.00 0.00 H new ATOM 1047 N TYR A 67 0.212 0.112 1.132 1.00 0.00 N ATOM 1048 CA TYR A 67 -1.005 -0.688 1.365 1.00 0.00 C ATOM 1049 C TYR A 67 -0.617 -2.141 1.050 1.00 0.00 C ATOM 1050 O TYR A 67 0.538 -2.426 0.759 1.00 0.00 O ATOM 1051 CB TYR A 67 -2.191 -0.225 0.493 1.00 0.00 C ATOM 1052 CG TYR A 67 -2.650 1.124 0.930 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -3.526 1.264 1.993 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -2.146 2.249 0.308 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -3.848 2.526 2.460 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -2.453 3.518 0.765 1.00 0.00 C ATOM 1057 CZ TYR A 67 -3.296 3.669 1.888 1.00 0.00 C ATOM 1058 OH TYR A 67 -3.587 4.865 2.546 1.00 0.00 O ATOM 0 H TYR A 67 0.447 0.229 0.146 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.348 -0.574 2.393 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.892 -0.195 -0.555 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.010 -0.940 0.570 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.957 0.389 2.457 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.501 2.136 -0.551 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.540 2.626 3.283 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.051 4.387 0.266 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.760 5.568 1.886 1.00 0.00 H new ATOM 1068 N LYS A 68 -1.621 -3.046 1.058 1.00 0.00 N ATOM 1069 CA LYS A 68 -1.314 -4.466 0.816 1.00 0.00 C ATOM 1070 C LYS A 68 -2.545 -5.295 0.412 1.00 0.00 C ATOM 1071 O LYS A 68 -3.488 -5.515 1.165 1.00 0.00 O ATOM 1072 CB LYS A 68 -0.637 -5.061 2.044 1.00 0.00 C ATOM 1073 CG LYS A 68 -1.574 -5.405 3.182 1.00 0.00 C ATOM 1074 CD LYS A 68 -2.418 -4.202 3.617 1.00 0.00 C ATOM 1075 CE LYS A 68 -3.141 -4.448 4.932 1.00 0.00 C ATOM 1076 NZ LYS A 68 -4.596 -4.414 4.802 1.00 0.00 N ATOM 0 H LYS A 68 -2.605 -2.831 1.221 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.635 -4.508 -0.036 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.104 -5.964 1.746 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.110 -4.355 2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.233 -6.218 2.876 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.995 -5.767 4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.775 -3.327 3.717 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.148 -3.974 2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.840 -5.418 5.329 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.829 -3.696 5.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.996 -3.799 5.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.852 -4.043 3.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.977 -5.376 4.910 1.00 0.00 H new ATOM 1090 N ILE A 69 -2.451 -5.705 -0.864 1.00 0.00 N ATOM 1091 CA ILE A 69 -3.448 -6.536 -1.503 1.00 0.00 C ATOM 1092 C ILE A 69 -3.095 -8.027 -1.322 1.00 0.00 C ATOM 1093 O ILE A 69 -2.005 -8.506 -1.610 1.00 0.00 O ATOM 1094 CB ILE A 69 -3.674 -6.182 -2.978 1.00 0.00 C ATOM 1095 CG1 ILE A 69 -2.482 -5.598 -3.726 1.00 0.00 C ATOM 1096 CG2 ILE A 69 -4.947 -5.417 -3.243 1.00 0.00 C ATOM 1097 CD1 ILE A 69 -2.390 -4.074 -3.818 1.00 0.00 C ATOM 0 H ILE A 69 -1.670 -5.460 -1.473 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.398 -6.337 -1.007 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.803 -7.170 -3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.573 -5.963 -3.249 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.492 -5.997 -4.740 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.030 -5.207 -4.309 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.802 -6.012 -2.923 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.930 -4.479 -2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.495 -3.796 -4.376 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.271 -3.687 -4.329 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.338 -3.651 -2.815 1.00 0.00 H new ATOM 1109 N ARG A 70 -4.133 -8.723 -0.813 1.00 0.00 N ATOM 1110 CA ARG A 70 -4.089 -10.160 -0.578 1.00 0.00 C ATOM 1111 C ARG A 70 -4.737 -10.825 -1.772 1.00 0.00 C ATOM 1112 O ARG A 70 -5.246 -10.140 -2.638 1.00 0.00 O ATOM 1113 CB ARG A 70 -4.806 -10.493 0.730 1.00 0.00 C ATOM 1114 CG ARG A 70 -3.816 -10.407 1.892 1.00 0.00 C ATOM 1115 CD ARG A 70 -4.127 -11.549 2.846 1.00 0.00 C ATOM 1116 NE ARG A 70 -3.888 -11.173 4.230 1.00 0.00 N ATOM 1117 CZ ARG A 70 -4.161 -12.014 5.249 1.00 0.00 C ATOM 1118 NH1 ARG A 70 -4.581 -13.255 5.027 1.00 0.00 N ATOM 1119 NH2 ARG A 70 -4.019 -11.589 6.495 1.00 0.00 N ATOM 0 H ARG A 70 -5.022 -8.293 -0.557 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.066 -10.523 -0.473 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.632 -9.800 0.890 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.235 -11.494 0.677 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.791 -10.480 1.528 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.906 -9.447 2.401 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.167 -11.851 2.725 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.513 -12.413 2.592 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.504 -10.251 4.436 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.703 -13.589 4.071 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.781 -13.874 5.813 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.706 -10.635 6.676 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.222 -12.215 7.274 1.00 0.00 H new ATOM 1133 N SER A 71 -4.757 -12.166 -1.742 1.00 0.00 N ATOM 1134 CA SER A 71 -5.319 -12.920 -2.842 1.00 0.00 C ATOM 1135 C SER A 71 -6.130 -14.085 -2.283 1.00 0.00 C ATOM 1136 O SER A 71 -5.603 -15.047 -1.736 1.00 0.00 O ATOM 1137 CB SER A 71 -4.106 -13.493 -3.605 1.00 0.00 C ATOM 1138 OG SER A 71 -3.024 -14.067 -2.758 1.00 0.00 O ATOM 0 H SER A 71 -4.393 -12.732 -0.975 1.00 0.00 H new ATOM 0 HA SER A 71 -5.961 -12.306 -3.474 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.460 -14.268 -4.284 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.679 -12.701 -4.220 1.00 0.00 H new ATOM 0 HG SER A 71 -2.311 -14.418 -3.332 1.00 0.00 H new ATOM 1144 N LEU A 72 -7.444 -13.888 -2.422 1.00 0.00 N ATOM 1145 CA LEU A 72 -8.450 -14.821 -1.953 1.00 0.00 C ATOM 1146 C LEU A 72 -8.880 -15.762 -3.072 1.00 0.00 C ATOM 1147 O LEU A 72 -8.952 -15.398 -4.241 1.00 0.00 O ATOM 1148 CB LEU A 72 -9.616 -14.027 -1.345 1.00 0.00 C ATOM 1149 CG LEU A 72 -9.154 -12.757 -0.637 1.00 0.00 C ATOM 1150 CD1 LEU A 72 -7.959 -13.065 0.295 1.00 0.00 C ATOM 1151 CD2 LEU A 72 -8.980 -11.591 -1.647 1.00 0.00 C ATOM 0 H LEU A 72 -7.836 -13.061 -2.872 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.040 -15.462 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.321 -13.763 -2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.151 -14.659 -0.637 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.924 -12.386 0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.641 -12.149 0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.260 -13.799 1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.133 -13.464 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.650 -10.697 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.236 -11.865 -2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.932 -11.391 -2.139 1.00 0.00 H new ATOM 1163 N ASP A 73 -9.189 -16.983 -2.602 1.00 0.00 N ATOM 1164 CA ASP A 73 -9.626 -18.060 -3.493 1.00 0.00 C ATOM 1165 C ASP A 73 -10.965 -17.782 -4.188 1.00 0.00 C ATOM 1166 O ASP A 73 -11.242 -18.311 -5.259 1.00 0.00 O ATOM 1167 CB ASP A 73 -9.815 -19.383 -2.737 1.00 0.00 C ATOM 1168 CG ASP A 73 -10.856 -19.334 -1.594 1.00 0.00 C ATOM 1169 OD1 ASP A 73 -10.699 -18.528 -0.679 1.00 0.00 O ATOM 1170 OD2 ASP A 73 -11.815 -20.105 -1.641 1.00 0.00 O ATOM 0 H ASP A 73 -9.143 -17.243 -1.617 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.829 -18.123 -4.233 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.114 -20.152 -3.449 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.855 -19.688 -2.322 1.00 0.00 H new ATOM 1175 N ASN A 74 -11.751 -16.908 -3.529 1.00 0.00 N ATOM 1176 CA ASN A 74 -13.074 -16.589 -4.043 1.00 0.00 C ATOM 1177 C ASN A 74 -13.422 -15.115 -3.789 1.00 0.00 C ATOM 1178 O ASN A 74 -14.522 -14.761 -3.383 1.00 0.00 O ATOM 1179 CB ASN A 74 -14.122 -17.499 -3.374 1.00 0.00 C ATOM 1180 CG ASN A 74 -14.248 -17.324 -1.843 1.00 0.00 C ATOM 1181 OD1 ASN A 74 -13.432 -16.694 -1.185 1.00 0.00 O ATOM 1182 ND2 ASN A 74 -15.340 -17.910 -1.324 1.00 0.00 N ATOM 0 H ASN A 74 -11.493 -16.429 -2.666 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.077 -16.758 -5.120 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.094 -17.306 -3.829 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.870 -18.538 -3.588 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.528 -17.843 -0.324 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.981 -18.421 -1.930 1.00 0.00 H new ATOM 1189 N GLY A 75 -12.390 -14.300 -4.074 1.00 0.00 N ATOM 1190 CA GLY A 75 -12.526 -12.855 -3.885 1.00 0.00 C ATOM 1191 C GLY A 75 -11.877 -12.010 -4.971 1.00 0.00 C ATOM 1192 O GLY A 75 -12.493 -11.204 -5.653 1.00 0.00 O ATOM 0 H GLY A 75 -11.483 -14.609 -4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.586 -12.607 -3.835 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.089 -12.585 -2.923 1.00 0.00 H new ATOM 1196 N GLY A 76 -10.580 -12.299 -5.022 1.00 0.00 N ATOM 1197 CA GLY A 76 -9.574 -11.711 -5.876 1.00 0.00 C ATOM 1198 C GLY A 76 -8.444 -11.084 -5.085 1.00 0.00 C ATOM 1199 O GLY A 76 -7.444 -11.726 -4.806 1.00 0.00 O ATOM 0 H GLY A 76 -10.181 -13.012 -4.412 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.170 -12.477 -6.538 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.036 -10.953 -6.509 1.00 0.00 H new ATOM 1203 N TYR A 77 -8.698 -9.809 -4.702 1.00 0.00 N ATOM 1204 CA TYR A 77 -7.741 -9.005 -3.984 1.00 0.00 C ATOM 1205 C TYR A 77 -8.518 -8.187 -2.982 1.00 0.00 C ATOM 1206 O TYR A 77 -9.667 -7.836 -3.193 1.00 0.00 O ATOM 1207 CB TYR A 77 -6.912 -8.102 -4.925 1.00 0.00 C ATOM 1208 CG TYR A 77 -6.047 -8.900 -5.854 1.00 0.00 C ATOM 1209 CD1 TYR A 77 -6.527 -9.315 -7.083 1.00 0.00 C ATOM 1210 CD2 TYR A 77 -4.746 -9.204 -5.502 1.00 0.00 C ATOM 1211 CE1 TYR A 77 -5.726 -10.014 -7.977 1.00 0.00 C ATOM 1212 CE2 TYR A 77 -3.926 -9.921 -6.368 1.00 0.00 C ATOM 1213 CZ TYR A 77 -4.403 -10.317 -7.624 1.00 0.00 C ATOM 1214 OH TYR A 77 -3.564 -11.013 -8.486 1.00 0.00 O ATOM 0 H TYR A 77 -9.578 -9.331 -4.893 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.016 -9.647 -3.484 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.584 -7.472 -5.508 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.287 -7.436 -4.330 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.548 -9.090 -7.354 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.362 -8.882 -4.545 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.118 -10.321 -8.935 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -2.919 -10.173 -6.071 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.686 -11.127 -8.066 1.00 0.00 H new ATOM 1224 N TYR A 78 -7.819 -7.921 -1.868 1.00 0.00 N ATOM 1225 CA TYR A 78 -8.480 -7.124 -0.821 1.00 0.00 C ATOM 1226 C TYR A 78 -7.450 -6.370 0.017 1.00 0.00 C ATOM 1227 O TYR A 78 -6.362 -6.874 0.302 1.00 0.00 O ATOM 1228 CB TYR A 78 -9.467 -7.917 0.073 1.00 0.00 C ATOM 1229 CG TYR A 78 -8.908 -8.499 1.356 1.00 0.00 C ATOM 1230 CD1 TYR A 78 -8.798 -7.663 2.466 1.00 0.00 C ATOM 1231 CD2 TYR A 78 -8.537 -9.836 1.498 1.00 0.00 C ATOM 1232 CE1 TYR A 78 -8.329 -8.101 3.689 1.00 0.00 C ATOM 1233 CE2 TYR A 78 -8.084 -10.296 2.740 1.00 0.00 C ATOM 1234 CZ TYR A 78 -7.969 -9.451 3.847 1.00 0.00 C ATOM 1235 OH TYR A 78 -7.551 -10.019 5.053 1.00 0.00 O ATOM 0 H TYR A 78 -6.864 -8.220 -1.673 1.00 0.00 H new ATOM 0 HA TYR A 78 -9.105 -6.406 -1.353 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -10.296 -7.258 0.331 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.881 -8.733 -0.519 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.092 -6.629 2.365 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.599 -10.511 0.657 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.240 -7.413 4.517 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.815 -11.337 2.846 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.357 -10.970 4.917 1.00 0.00 H new ATOM 1245 N ILE A 79 -7.819 -5.078 0.271 1.00 0.00 N ATOM 1246 CA ILE A 79 -6.909 -4.223 1.065 1.00 0.00 C ATOM 1247 C ILE A 79 -7.578 -3.877 2.424 1.00 0.00 C ATOM 1248 O ILE A 79 -6.949 -3.974 3.471 1.00 0.00 O ATOM 1249 CB ILE A 79 -6.338 -2.967 0.355 1.00 0.00 C ATOM 1250 CG1 ILE A 79 -7.256 -2.407 -0.692 1.00 0.00 C ATOM 1251 CG2 ILE A 79 -4.943 -3.158 -0.287 1.00 0.00 C ATOM 1252 CD1 ILE A 79 -6.697 -1.109 -1.329 1.00 0.00 C ATOM 0 H ILE A 79 -8.683 -4.636 -0.042 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.013 -4.824 1.223 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.239 -2.262 1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.414 -3.153 -1.471 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.229 -2.201 -0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.629 -2.227 -0.758 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.223 -3.436 0.483 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.993 -3.946 -1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.396 -0.742 -2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.565 -0.352 -0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.736 -1.319 -1.799 1.00 0.00 H new ATOM 1264 N SER A 80 -8.881 -3.568 2.329 1.00 0.00 N ATOM 1265 CA SER A 80 -9.721 -3.270 3.476 1.00 0.00 C ATOM 1266 C SER A 80 -10.736 -4.398 3.310 1.00 0.00 C ATOM 1267 O SER A 80 -11.296 -4.555 2.233 1.00 0.00 O ATOM 1268 CB SER A 80 -10.392 -1.862 3.320 1.00 0.00 C ATOM 1269 OG SER A 80 -11.311 -1.316 4.358 1.00 0.00 O ATOM 0 H SER A 80 -9.377 -3.520 1.439 1.00 0.00 H new ATOM 0 HA SER A 80 -9.222 -3.226 4.444 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.585 -1.139 3.200 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.948 -1.879 2.383 1.00 0.00 H new ATOM 0 HG SER A 80 -11.625 -0.429 4.083 1.00 0.00 H new ATOM 1275 N PRO A 81 -10.950 -5.206 4.378 1.00 0.00 N ATOM 1276 CA PRO A 81 -11.845 -6.347 4.261 1.00 0.00 C ATOM 1277 C PRO A 81 -13.325 -6.008 4.071 1.00 0.00 C ATOM 1278 O PRO A 81 -14.143 -6.883 3.826 1.00 0.00 O ATOM 1279 CB PRO A 81 -11.708 -7.029 5.635 1.00 0.00 C ATOM 1280 CG PRO A 81 -10.631 -6.321 6.437 1.00 0.00 C ATOM 1281 CD PRO A 81 -10.219 -5.132 5.624 1.00 0.00 C ATOM 0 HA PRO A 81 -11.572 -6.931 3.382 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.658 -6.994 6.168 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.452 -8.081 5.509 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.010 -6.014 7.412 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.783 -6.981 6.618 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.446 -4.205 6.151 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.144 -5.141 5.443 1.00 0.00 H new ATOM 1289 N ARG A 82 -13.608 -4.689 4.112 1.00 0.00 N ATOM 1290 CA ARG A 82 -14.983 -4.256 3.875 1.00 0.00 C ATOM 1291 C ARG A 82 -15.238 -4.114 2.343 1.00 0.00 C ATOM 1292 O ARG A 82 -16.374 -3.934 1.922 1.00 0.00 O ATOM 1293 CB ARG A 82 -15.263 -2.966 4.681 1.00 0.00 C ATOM 1294 CG ARG A 82 -14.771 -1.657 4.043 1.00 0.00 C ATOM 1295 CD ARG A 82 -15.915 -0.857 3.419 1.00 0.00 C ATOM 1296 NE ARG A 82 -16.550 -0.016 4.431 1.00 0.00 N ATOM 1297 CZ ARG A 82 -17.767 0.534 4.260 1.00 0.00 C ATOM 1298 NH1 ARG A 82 -18.491 0.272 3.180 1.00 0.00 N ATOM 1299 NH2 ARG A 82 -18.248 1.356 5.182 1.00 0.00 N ATOM 0 H ARG A 82 -12.935 -3.946 4.298 1.00 0.00 H new ATOM 0 HA ARG A 82 -15.692 -5.003 4.230 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.338 -2.887 4.842 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.800 -3.066 5.663 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.275 -1.049 4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.028 -1.884 3.278 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.535 -0.238 2.606 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -16.650 -1.536 2.986 1.00 0.00 H new ATOM 0 HE ARG A 82 -16.051 0.162 5.303 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -18.128 -0.355 2.462 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -19.411 0.698 3.067 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -17.697 1.568 6.014 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -19.169 1.777 5.060 1.00 0.00 H new ATOM 1313 N ILE A 83 -14.119 -4.254 1.566 1.00 0.00 N ATOM 1314 CA ILE A 83 -14.050 -4.146 0.109 1.00 0.00 C ATOM 1315 C ILE A 83 -12.919 -4.989 -0.579 1.00 0.00 C ATOM 1316 O ILE A 83 -11.705 -4.825 -0.405 1.00 0.00 O ATOM 1317 CB ILE A 83 -14.035 -2.713 -0.353 1.00 0.00 C ATOM 1318 CG1 ILE A 83 -12.900 -1.919 0.268 1.00 0.00 C ATOM 1319 CG2 ILE A 83 -15.375 -2.018 -0.078 1.00 0.00 C ATOM 1320 CD1 ILE A 83 -13.008 -0.519 -0.312 1.00 0.00 C ATOM 0 H ILE A 83 -13.208 -4.454 1.978 1.00 0.00 H new ATOM 0 HA ILE A 83 -14.977 -4.608 -0.231 1.00 0.00 H new ATOM 0 HB ILE A 83 -13.872 -2.742 -1.430 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -12.985 -1.900 1.355 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -11.935 -2.367 0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -15.327 -0.986 -0.424 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -16.172 -2.542 -0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -15.579 -2.032 0.993 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -12.215 0.107 0.097 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -12.910 -0.566 -1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -13.977 -0.092 -0.053 1.00 0.00 H new ATOM 1332 N THR A 84 -13.498 -5.935 -1.352 1.00 0.00 N ATOM 1333 CA THR A 84 -12.805 -6.903 -2.188 1.00 0.00 C ATOM 1334 C THR A 84 -13.220 -6.690 -3.670 1.00 0.00 C ATOM 1335 O THR A 84 -14.312 -6.221 -3.967 1.00 0.00 O ATOM 1336 CB THR A 84 -13.246 -8.311 -1.689 1.00 0.00 C ATOM 1337 OG1 THR A 84 -13.615 -8.527 -0.281 1.00 0.00 O ATOM 1338 CG2 THR A 84 -12.210 -9.367 -2.112 1.00 0.00 C ATOM 0 H THR A 84 -14.512 -6.037 -1.402 1.00 0.00 H new ATOM 0 HA THR A 84 -11.722 -6.796 -2.126 1.00 0.00 H new ATOM 0 HB THR A 84 -14.212 -8.408 -2.184 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.865 -9.465 -0.149 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.526 -10.349 -1.759 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.128 -9.381 -3.199 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.241 -9.120 -1.678 1.00 0.00 H new ATOM 1346 N PHE A 85 -12.274 -7.082 -4.549 1.00 0.00 N ATOM 1347 CA PHE A 85 -12.417 -7.006 -6.019 1.00 0.00 C ATOM 1348 C PHE A 85 -11.777 -8.291 -6.592 1.00 0.00 C ATOM 1349 O PHE A 85 -10.983 -8.889 -5.893 1.00 0.00 O ATOM 1350 CB PHE A 85 -11.734 -5.734 -6.528 1.00 0.00 C ATOM 1351 CG PHE A 85 -12.370 -4.507 -5.924 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -13.518 -3.953 -6.488 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -11.829 -3.908 -4.786 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -14.119 -2.834 -5.918 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -12.423 -2.786 -4.222 1.00 0.00 C ATOM 1356 CZ PHE A 85 -13.580 -2.253 -4.774 1.00 0.00 C ATOM 0 H PHE A 85 -11.376 -7.466 -4.254 1.00 0.00 H new ATOM 0 HA PHE A 85 -13.459 -6.950 -6.335 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.673 -5.760 -6.278 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.804 -5.688 -7.615 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.945 -4.396 -7.375 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.938 -4.322 -4.338 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -15.008 -2.415 -6.366 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -11.983 -2.326 -3.350 1.00 0.00 H new ATOM 0 HZ PHE A 85 -14.057 -1.397 -4.320 1.00 0.00 H new ATOM 1366 N PRO A 86 -12.100 -8.713 -7.852 1.00 0.00 N ATOM 1367 CA PRO A 86 -11.518 -9.949 -8.419 1.00 0.00 C ATOM 1368 C PRO A 86 -10.063 -9.806 -8.895 1.00 0.00 C ATOM 1369 O PRO A 86 -9.271 -10.731 -8.763 1.00 0.00 O ATOM 1370 CB PRO A 86 -12.361 -10.202 -9.698 1.00 0.00 C ATOM 1371 CG PRO A 86 -13.384 -9.065 -9.824 1.00 0.00 C ATOM 1372 CD PRO A 86 -13.215 -8.163 -8.607 1.00 0.00 C ATOM 0 HA PRO A 86 -11.528 -10.728 -7.656 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.718 -10.236 -10.578 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.867 -11.165 -9.636 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -13.222 -8.503 -10.744 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -14.397 -9.464 -9.869 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -13.013 -7.135 -8.908 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -14.123 -8.146 -8.005 1.00 0.00 H new ATOM 1380 N THR A 87 -9.730 -8.602 -9.390 1.00 0.00 N ATOM 1381 CA THR A 87 -8.358 -8.347 -9.826 1.00 0.00 C ATOM 1382 C THR A 87 -8.046 -6.971 -9.306 1.00 0.00 C ATOM 1383 O THR A 87 -8.920 -6.243 -8.846 1.00 0.00 O ATOM 1384 CB THR A 87 -8.137 -8.345 -11.371 1.00 0.00 C ATOM 1385 OG1 THR A 87 -6.857 -7.894 -11.932 1.00 0.00 O ATOM 1386 CG2 THR A 87 -9.326 -7.682 -12.069 1.00 0.00 C ATOM 0 H THR A 87 -10.373 -7.817 -9.494 1.00 0.00 H new ATOM 0 HA THR A 87 -7.721 -9.149 -9.452 1.00 0.00 H new ATOM 0 HB THR A 87 -8.069 -9.411 -11.590 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.017 -7.433 -12.782 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.163 -7.685 -13.147 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.237 -8.234 -11.838 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.426 -6.654 -11.720 1.00 0.00 H new ATOM 1394 N LEU A 88 -6.761 -6.613 -9.484 1.00 0.00 N ATOM 1395 CA LEU A 88 -6.449 -5.302 -8.986 1.00 0.00 C ATOM 1396 C LEU A 88 -7.030 -4.271 -9.924 1.00 0.00 C ATOM 1397 O LEU A 88 -7.272 -3.183 -9.466 1.00 0.00 O ATOM 1398 CB LEU A 88 -4.942 -4.940 -9.065 1.00 0.00 C ATOM 1399 CG LEU A 88 -4.040 -5.330 -7.925 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -4.432 -4.571 -6.701 1.00 0.00 C ATOM 1401 CD2 LEU A 88 -3.970 -6.760 -7.535 1.00 0.00 C ATOM 0 H LEU A 88 -6.013 -7.153 -9.919 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.820 -5.306 -7.961 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.541 -5.393 -9.972 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.869 -3.860 -9.189 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.052 -5.092 -8.320 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.780 -4.852 -5.874 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.338 -3.502 -6.890 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.465 -4.804 -6.444 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.278 -6.876 -6.700 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.960 -7.105 -7.237 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.620 -7.351 -8.381 1.00 0.00 H new ATOM 1413 N GLN A 89 -7.250 -4.587 -11.209 1.00 0.00 N ATOM 1414 CA GLN A 89 -7.723 -3.484 -12.055 1.00 0.00 C ATOM 1415 C GLN A 89 -9.138 -2.991 -11.692 1.00 0.00 C ATOM 1416 O GLN A 89 -9.442 -1.810 -11.792 1.00 0.00 O ATOM 1417 CB GLN A 89 -7.454 -3.826 -13.512 1.00 0.00 C ATOM 1418 CG GLN A 89 -8.540 -4.669 -14.139 1.00 0.00 C ATOM 1419 CD GLN A 89 -8.000 -5.757 -15.053 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -7.182 -6.557 -14.362 1.00 0.00 O flip ATOM 1421 NE2 GLN A 89 -8.298 -5.856 -16.235 1.00 0.00 N flip ATOM 0 H GLN A 89 -7.125 -5.498 -11.651 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.147 -2.581 -11.853 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.347 -2.902 -14.081 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.505 -4.357 -13.584 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.136 -5.128 -13.350 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.209 -4.024 -14.709 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.937 -5.183 -16.658 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.908 -6.612 -16.798 1.00 0.00 H new ATOM 1430 N ALA A 90 -9.966 -3.968 -11.253 1.00 0.00 N ATOM 1431 CA ALA A 90 -11.335 -3.633 -10.847 1.00 0.00 C ATOM 1432 C ALA A 90 -11.330 -2.941 -9.465 1.00 0.00 C ATOM 1433 O ALA A 90 -12.283 -2.283 -9.075 1.00 0.00 O ATOM 1434 CB ALA A 90 -12.157 -4.943 -10.738 1.00 0.00 C ATOM 0 H ALA A 90 -9.717 -4.954 -11.175 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.772 -2.961 -11.586 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -13.178 -4.708 -10.437 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.171 -5.445 -11.705 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.701 -5.598 -9.995 1.00 0.00 H new ATOM 1440 N LEU A 91 -10.203 -3.137 -8.754 1.00 0.00 N ATOM 1441 CA LEU A 91 -9.981 -2.522 -7.454 1.00 0.00 C ATOM 1442 C LEU A 91 -9.607 -1.048 -7.635 1.00 0.00 C ATOM 1443 O LEU A 91 -10.161 -0.167 -6.996 1.00 0.00 O ATOM 1444 CB LEU A 91 -8.933 -3.370 -6.708 1.00 0.00 C ATOM 1445 CG LEU A 91 -8.016 -2.652 -5.702 1.00 0.00 C ATOM 1446 CD1 LEU A 91 -7.701 -3.484 -4.447 1.00 0.00 C ATOM 1447 CD2 LEU A 91 -6.742 -2.184 -6.402 1.00 0.00 C ATOM 0 H LEU A 91 -9.432 -3.724 -9.072 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.881 -2.510 -6.839 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.460 -4.162 -6.176 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.300 -3.853 -7.453 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.565 -1.784 -5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.050 -2.912 -3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.628 -3.723 -3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.201 -4.407 -4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.098 -1.677 -5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.217 -3.045 -6.816 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.001 -1.496 -7.207 1.00 0.00 H new ATOM 1459 N VAL A 92 -8.720 -0.845 -8.630 1.00 0.00 N ATOM 1460 CA VAL A 92 -8.143 0.461 -8.902 1.00 0.00 C ATOM 1461 C VAL A 92 -9.196 1.414 -9.526 1.00 0.00 C ATOM 1462 O VAL A 92 -9.141 2.609 -9.304 1.00 0.00 O ATOM 1463 CB VAL A 92 -6.921 0.306 -9.848 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -5.889 1.399 -9.743 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -6.025 -0.912 -9.662 1.00 0.00 C ATOM 0 H VAL A 92 -8.394 -1.582 -9.255 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.813 0.900 -7.960 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.486 0.276 -10.779 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.077 1.201 -10.442 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.349 2.358 -9.983 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.494 1.430 -8.728 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.216 -0.884 -10.392 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.606 -0.905 -8.656 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.611 -1.820 -9.805 1.00 0.00 H new ATOM 1475 N GLN A 93 -10.146 0.819 -10.298 1.00 0.00 N ATOM 1476 CA GLN A 93 -11.243 1.517 -10.982 1.00 0.00 C ATOM 1477 C GLN A 93 -12.174 2.210 -9.960 1.00 0.00 C ATOM 1478 O GLN A 93 -12.507 3.387 -10.081 1.00 0.00 O ATOM 1479 CB GLN A 93 -12.039 0.570 -11.937 1.00 0.00 C ATOM 1480 CG GLN A 93 -13.247 -0.176 -11.339 1.00 0.00 C ATOM 1481 CD GLN A 93 -14.488 0.718 -11.238 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -14.489 1.846 -11.698 1.00 0.00 O ATOM 1483 NE2 GLN A 93 -15.525 0.152 -10.612 1.00 0.00 N ATOM 0 H GLN A 93 -10.160 -0.188 -10.459 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.798 2.289 -11.610 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -12.391 1.161 -12.783 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.345 -0.172 -12.333 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -13.477 -1.045 -11.956 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -12.988 -0.548 -10.348 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -15.447 -0.800 -10.253 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -16.394 0.672 -10.493 1.00 0.00 H new ATOM 1492 N HIS A 94 -12.467 1.422 -8.897 1.00 0.00 N ATOM 1493 CA HIS A 94 -13.403 1.871 -7.871 1.00 0.00 C ATOM 1494 C HIS A 94 -12.748 2.978 -7.070 1.00 0.00 C ATOM 1495 O HIS A 94 -13.305 4.053 -6.866 1.00 0.00 O ATOM 1496 CB HIS A 94 -13.733 0.714 -6.898 1.00 0.00 C ATOM 1497 CG HIS A 94 -14.813 1.134 -5.914 1.00 0.00 C ATOM 1498 ND1 HIS A 94 -14.587 1.641 -4.676 1.00 0.00 N ATOM 1499 CD2 HIS A 94 -16.200 1.085 -6.120 1.00 0.00 C ATOM 1500 CE1 HIS A 94 -15.805 1.893 -4.157 1.00 0.00 C ATOM 1501 NE2 HIS A 94 -16.796 1.567 -5.007 1.00 0.00 N ATOM 0 H HIS A 94 -12.072 0.495 -8.740 1.00 0.00 H new ATOM 0 HA HIS A 94 -14.317 2.216 -8.354 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -14.066 -0.158 -7.461 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -12.834 0.420 -6.356 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -16.701 0.727 -7.007 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -15.967 2.308 -3.173 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.798 1.664 -4.844 1.00 0.00 H new ATOM 1509 N TYR A 95 -11.488 2.666 -6.727 1.00 0.00 N ATOM 1510 CA TYR A 95 -10.733 3.648 -5.986 1.00 0.00 C ATOM 1511 C TYR A 95 -10.322 4.837 -6.878 1.00 0.00 C ATOM 1512 O TYR A 95 -9.885 5.862 -6.363 1.00 0.00 O ATOM 1513 CB TYR A 95 -9.453 3.043 -5.446 1.00 0.00 C ATOM 1514 CG TYR A 95 -9.651 2.296 -4.177 1.00 0.00 C ATOM 1515 CD1 TYR A 95 -10.050 2.959 -3.032 1.00 0.00 C ATOM 1516 CD2 TYR A 95 -9.411 0.944 -4.124 1.00 0.00 C ATOM 1517 CE1 TYR A 95 -10.262 2.266 -1.860 1.00 0.00 C ATOM 1518 CE2 TYR A 95 -9.574 0.227 -2.969 1.00 0.00 C ATOM 1519 CZ TYR A 95 -10.040 0.876 -1.819 1.00 0.00 C ATOM 1520 OH TYR A 95 -10.321 0.119 -0.693 1.00 0.00 O ATOM 0 H TYR A 95 -11.007 1.793 -6.941 1.00 0.00 H new ATOM 0 HA TYR A 95 -11.380 3.987 -5.177 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -9.032 2.371 -6.194 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -8.724 3.836 -5.283 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.197 4.029 -3.056 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.085 0.433 -5.018 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.597 2.787 -0.976 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -9.346 -0.828 -2.945 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.099 -0.820 -0.866 1.00 0.00 H new ATOM 1530 N SER A 96 -10.466 4.658 -8.223 1.00 0.00 N ATOM 1531 CA SER A 96 -10.058 5.760 -9.102 1.00 0.00 C ATOM 1532 C SER A 96 -11.134 6.851 -9.166 1.00 0.00 C ATOM 1533 O SER A 96 -10.884 7.895 -9.753 1.00 0.00 O ATOM 1534 CB SER A 96 -9.748 5.294 -10.574 1.00 0.00 C ATOM 1535 OG SER A 96 -8.447 4.706 -11.002 1.00 0.00 O ATOM 0 H SER A 96 -10.833 3.824 -8.682 1.00 0.00 H new ATOM 0 HA SER A 96 -9.142 6.153 -8.660 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.513 4.561 -10.829 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.914 6.163 -11.211 1.00 0.00 H new ATOM 0 HG SER A 96 -8.322 3.837 -10.567 1.00 0.00 H new ATOM 1541 N LYS A 97 -12.306 6.607 -8.535 1.00 0.00 N ATOM 1542 CA LYS A 97 -13.355 7.630 -8.522 1.00 0.00 C ATOM 1543 C LYS A 97 -13.967 7.833 -7.127 1.00 0.00 C ATOM 1544 O LYS A 97 -14.878 8.638 -6.954 1.00 0.00 O ATOM 1545 CB LYS A 97 -14.444 7.271 -9.511 1.00 0.00 C ATOM 1546 CG LYS A 97 -14.130 7.754 -10.928 1.00 0.00 C ATOM 1547 CD LYS A 97 -13.040 6.950 -11.638 1.00 0.00 C ATOM 1548 CE LYS A 97 -13.455 6.446 -13.020 1.00 0.00 C ATOM 1549 NZ LYS A 97 -14.447 5.381 -12.906 1.00 0.00 N ATOM 0 H LYS A 97 -12.536 5.741 -8.047 1.00 0.00 H new ATOM 0 HA LYS A 97 -12.885 8.570 -8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.579 6.189 -9.521 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.387 7.707 -9.182 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.042 7.714 -11.524 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -13.824 8.799 -10.884 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.150 7.571 -11.739 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -12.766 6.098 -11.017 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.864 7.270 -13.605 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.580 6.079 -13.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -14.715 5.053 -13.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.045 4.588 -12.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.289 5.742 -12.414 1.00 0.00 H new ATOM 1563 N LYS A 98 -13.367 7.100 -6.156 1.00 0.00 N ATOM 1564 CA LYS A 98 -13.819 7.251 -4.814 1.00 0.00 C ATOM 1565 C LYS A 98 -12.696 6.918 -3.848 1.00 0.00 C ATOM 1566 O LYS A 98 -11.813 6.120 -4.111 1.00 0.00 O ATOM 1567 CB LYS A 98 -15.005 6.252 -4.680 1.00 0.00 C ATOM 1568 CG LYS A 98 -15.885 6.542 -3.491 1.00 0.00 C ATOM 1569 CD LYS A 98 -15.549 6.168 -2.117 1.00 0.00 C ATOM 1570 CE LYS A 98 -15.893 7.251 -1.071 1.00 0.00 C ATOM 1571 NZ LYS A 98 -16.271 6.649 0.195 1.00 0.00 N ATOM 0 H LYS A 98 -12.606 6.436 -6.298 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.130 8.270 -4.582 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.607 6.287 -5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -14.612 5.239 -4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.042 7.621 -3.484 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.849 6.081 -3.705 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.077 5.249 -1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.483 5.949 -2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -15.034 7.906 -0.924 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.709 7.873 -1.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -17.285 6.807 0.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -16.080 5.627 0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -15.719 7.081 0.963 1.00 0.00 H new ATOM 1585 N GLY A 99 -12.773 7.648 -2.704 1.00 0.00 N ATOM 1586 CA GLY A 99 -11.786 7.539 -1.636 1.00 0.00 C ATOM 1587 C GLY A 99 -12.438 6.871 -0.450 1.00 0.00 C ATOM 1588 O GLY A 99 -12.736 7.481 0.567 1.00 0.00 O ATOM 0 H GLY A 99 -13.519 8.317 -2.513 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -10.926 6.959 -1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.416 8.526 -1.359 1.00 0.00 H new ATOM 1592 N ASP A 100 -12.651 5.570 -0.659 1.00 0.00 N ATOM 1593 CA ASP A 100 -13.316 4.821 0.392 1.00 0.00 C ATOM 1594 C ASP A 100 -12.458 4.489 1.661 1.00 0.00 C ATOM 1595 O ASP A 100 -12.925 3.925 2.647 1.00 0.00 O ATOM 1596 CB ASP A 100 -14.052 3.657 -0.253 1.00 0.00 C ATOM 1597 CG ASP A 100 -14.842 2.787 0.802 1.00 0.00 C ATOM 1598 OD1 ASP A 100 -15.845 3.346 1.212 1.00 0.00 O ATOM 1599 OD2 ASP A 100 -14.483 1.678 1.248 1.00 0.00 O ATOM 0 H ASP A 100 -12.390 5.045 -1.494 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.050 5.471 0.869 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -14.748 4.039 -0.999 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -13.337 3.025 -0.779 1.00 0.00 H new ATOM 1604 N GLY A 101 -11.222 4.989 1.604 1.00 0.00 N ATOM 1605 CA GLY A 101 -10.322 4.806 2.729 1.00 0.00 C ATOM 1606 C GLY A 101 -8.929 4.495 2.251 1.00 0.00 C ATOM 1607 O GLY A 101 -8.480 3.365 2.383 1.00 0.00 O ATOM 0 H GLY A 101 -10.836 5.507 0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.309 5.708 3.341 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.684 3.996 3.362 1.00 0.00 H new ATOM 1611 N LEU A 102 -8.264 5.557 1.724 1.00 0.00 N ATOM 1612 CA LEU A 102 -6.888 5.409 1.262 1.00 0.00 C ATOM 1613 C LEU A 102 -6.056 6.720 1.471 1.00 0.00 C ATOM 1614 O LEU A 102 -4.974 6.849 0.915 1.00 0.00 O ATOM 1615 CB LEU A 102 -6.725 5.066 -0.247 1.00 0.00 C ATOM 1616 CG LEU A 102 -7.308 3.733 -0.708 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -7.042 3.536 -2.204 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -6.698 2.569 0.093 1.00 0.00 C ATOM 0 H LEU A 102 -8.657 6.492 1.617 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.531 4.575 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.189 5.861 -0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.662 5.074 -0.486 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.384 3.746 -0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.461 2.583 -2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.508 4.345 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.967 3.540 -2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.126 1.627 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.618 2.552 -0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.917 2.702 1.152 1.00 0.00 H new ATOM 1630 N CYS A 103 -6.578 7.662 2.299 1.00 0.00 N ATOM 1631 CA CYS A 103 -5.990 8.986 2.602 1.00 0.00 C ATOM 1632 C CYS A 103 -6.261 10.009 1.479 1.00 0.00 C ATOM 1633 O CYS A 103 -6.598 11.157 1.731 1.00 0.00 O ATOM 1634 CB CYS A 103 -4.496 9.039 2.991 1.00 0.00 C ATOM 1635 SG CYS A 103 -3.319 9.102 1.613 1.00 0.00 S ATOM 0 H CYS A 103 -7.457 7.509 2.793 1.00 0.00 H new ATOM 0 HA CYS A 103 -6.520 9.251 3.517 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.335 9.914 3.620 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -4.268 8.163 3.598 1.00 0.00 H new ATOM 0 HG CYS A 103 -3.620 8.184 0.743 1.00 0.00 H new ATOM 1641 N GLN A 104 -6.047 9.525 0.243 1.00 0.00 N ATOM 1642 CA GLN A 104 -6.236 10.227 -0.991 1.00 0.00 C ATOM 1643 C GLN A 104 -6.612 9.092 -1.928 1.00 0.00 C ATOM 1644 O GLN A 104 -6.038 8.012 -1.933 1.00 0.00 O ATOM 1645 CB GLN A 104 -4.932 10.922 -1.449 1.00 0.00 C ATOM 1646 CG GLN A 104 -4.479 12.056 -0.499 1.00 0.00 C ATOM 1647 CD GLN A 104 -3.705 13.185 -1.203 1.00 0.00 C ATOM 1648 OE1 GLN A 104 -3.838 13.419 -2.397 1.00 0.00 O ATOM 1649 NE2 GLN A 104 -2.912 13.886 -0.373 1.00 0.00 N ATOM 0 H GLN A 104 -5.717 8.571 0.095 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.974 11.027 -0.939 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.138 10.179 -1.521 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.078 11.331 -2.449 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.356 12.480 -0.010 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.851 11.632 0.285 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -2.853 13.630 0.613 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -2.370 14.673 -0.729 1.00 0.00 H new ATOM 1658 N LYS A 105 -7.646 9.416 -2.674 1.00 0.00 N ATOM 1659 CA LYS A 105 -8.208 8.556 -3.670 1.00 0.00 C ATOM 1660 C LYS A 105 -7.204 8.473 -4.829 1.00 0.00 C ATOM 1661 O LYS A 105 -6.381 9.353 -5.040 1.00 0.00 O ATOM 1662 CB LYS A 105 -9.636 9.047 -3.927 1.00 0.00 C ATOM 1663 CG LYS A 105 -9.791 10.300 -4.785 1.00 0.00 C ATOM 1664 CD LYS A 105 -9.775 9.944 -6.245 1.00 0.00 C ATOM 1665 CE LYS A 105 -11.067 9.426 -6.773 1.00 0.00 C ATOM 1666 NZ LYS A 105 -11.972 10.501 -7.105 1.00 0.00 N ATOM 0 H LYS A 105 -8.126 10.312 -2.595 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.346 7.510 -3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.192 8.239 -4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -10.109 9.235 -2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -10.725 10.804 -4.538 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -8.984 11.000 -4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -9.492 10.827 -6.817 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -9.002 9.194 -6.414 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.882 8.818 -7.659 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -11.530 8.775 -6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.917 10.288 -6.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.625 11.388 -6.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.027 10.602 -8.139 1.00 0.00 H new ATOM 1680 N LEU A 106 -7.405 7.418 -5.614 1.00 0.00 N ATOM 1681 CA LEU A 106 -6.510 7.116 -6.725 1.00 0.00 C ATOM 1682 C LEU A 106 -6.806 8.039 -7.940 1.00 0.00 C ATOM 1683 O LEU A 106 -7.889 8.003 -8.501 1.00 0.00 O ATOM 1684 CB LEU A 106 -6.649 5.611 -7.052 1.00 0.00 C ATOM 1685 CG LEU A 106 -6.344 4.666 -5.880 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -6.544 3.227 -6.368 1.00 0.00 C ATOM 1687 CD2 LEU A 106 -4.919 4.804 -5.321 1.00 0.00 C ATOM 0 H LEU A 106 -8.177 6.761 -5.501 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.473 7.316 -6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.665 5.421 -7.398 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.980 5.370 -7.878 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.021 4.931 -5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.333 2.534 -5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.574 3.095 -6.700 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.867 3.027 -7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.782 4.104 -4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.197 4.585 -6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.766 5.822 -4.962 1.00 0.00 H new ATOM 1699 N THR A 107 -5.755 8.862 -8.303 1.00 0.00 N ATOM 1700 CA THR A 107 -5.931 9.859 -9.375 1.00 0.00 C ATOM 1701 C THR A 107 -5.292 9.443 -10.706 1.00 0.00 C ATOM 1702 O THR A 107 -6.042 9.018 -11.582 1.00 0.00 O ATOM 1703 CB THR A 107 -5.550 11.348 -9.010 1.00 0.00 C ATOM 1704 OG1 THR A 107 -4.139 11.796 -9.238 1.00 0.00 O ATOM 1705 CG2 THR A 107 -6.072 11.523 -7.537 1.00 0.00 C ATOM 0 H THR A 107 -4.828 8.842 -7.878 1.00 0.00 H new ATOM 0 HA THR A 107 -7.014 9.866 -9.501 1.00 0.00 H new ATOM 0 HB THR A 107 -6.022 12.029 -9.718 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.720 12.008 -8.378 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.853 12.533 -7.191 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.149 11.356 -7.510 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.577 10.801 -6.887 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.954 9.558 -10.853 1.00 0.00 N ATOM 1714 CA LEU A 108 -3.387 9.212 -12.159 1.00 0.00 C ATOM 1715 C LEU A 108 -2.108 8.386 -11.970 1.00 0.00 C ATOM 1716 O LEU A 108 -1.167 8.885 -11.380 1.00 0.00 O ATOM 1717 CB LEU A 108 -3.088 10.452 -12.980 1.00 0.00 C ATOM 1718 CG LEU A 108 -4.351 11.155 -13.523 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -4.603 12.529 -12.900 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -4.295 11.245 -15.049 1.00 0.00 C ATOM 0 H LEU A 108 -3.294 9.865 -10.138 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.125 8.621 -12.702 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.526 11.156 -12.367 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.447 10.177 -13.818 1.00 0.00 H new ATOM 0 HG LEU A 108 -5.200 10.537 -13.229 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.506 12.963 -13.329 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.728 12.422 -11.822 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.754 13.182 -13.104 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -5.192 11.743 -15.417 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.415 11.815 -15.348 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.238 10.242 -15.471 1.00 0.00 H new ATOM 1732 N PRO A 109 -2.094 7.109 -12.466 1.00 0.00 N ATOM 1733 CA PRO A 109 -0.952 6.192 -12.320 1.00 0.00 C ATOM 1734 C PRO A 109 0.296 6.585 -13.138 1.00 0.00 C ATOM 1735 O PRO A 109 0.560 6.078 -14.220 1.00 0.00 O ATOM 1736 CB PRO A 109 -1.458 4.852 -12.879 1.00 0.00 C ATOM 1737 CG PRO A 109 -2.674 5.192 -13.741 1.00 0.00 C ATOM 1738 CD PRO A 109 -3.156 6.575 -13.299 1.00 0.00 C ATOM 0 HA PRO A 109 -0.640 6.185 -11.276 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -0.686 4.358 -13.469 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.728 4.169 -12.073 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.410 5.194 -14.798 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.460 4.449 -13.611 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -3.342 7.219 -14.159 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -4.092 6.506 -12.745 1.00 0.00 H new ATOM 1746 N CYS A 110 1.082 7.448 -12.472 1.00 0.00 N ATOM 1747 CA CYS A 110 2.348 8.014 -12.946 1.00 0.00 C ATOM 1748 C CYS A 110 2.257 8.540 -14.412 1.00 0.00 C ATOM 1749 O CYS A 110 1.202 8.522 -15.037 1.00 0.00 O ATOM 1750 CB CYS A 110 3.458 6.962 -12.821 1.00 0.00 C ATOM 1751 SG CYS A 110 5.021 7.687 -12.271 1.00 0.00 S ATOM 0 H CYS A 110 0.835 7.784 -11.541 1.00 0.00 H new ATOM 0 HA CYS A 110 2.581 8.875 -12.319 1.00 0.00 H new ATOM 0 HB2 CYS A 110 3.148 6.191 -12.116 1.00 0.00 H new ATOM 0 HB3 CYS A 110 3.604 6.473 -13.784 1.00 0.00 H new ATOM 0 HG CYS A 110 4.988 8.975 -12.447 1.00 0.00 H new