USER MOD reduce.3.24.130724 H: found=0, std=0, add=932, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 931 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 24 LYS NZ :NH3+ -140:sc= 0.00971 (180deg=-0.0184) USER MOD Set 1.2: A 25 TYR OH : rot 180:sc= 0.0248 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.01) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -169:sc= -0.0282 (180deg=-0.172) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0233) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 30:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.148 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0895 X(o=-0.089,f=-0.089) USER MOD Single : A 61 TYR OH : rot -16:sc= 0.0118 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.0417 X(o=-0.042,f=0) USER MOD Single : A 81 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.6) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 76:sc= 0.703 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.00697 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -154:sc= -0.088 (180deg=-0.839) USER MOD Single : A 93 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.16) USER MOD Single : A 95 TYR OH : rot 30:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot -153:sc= 0.155 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : B 732 TYR OH : rot 165:sc= -0.107 USER MOD ----------------------------------------------------------------- ATOM 197 N HIS A 9 -9.302 12.355 3.641 1.00 0.00 N ATOM 198 CA HIS A 9 -10.362 13.274 4.046 1.00 0.00 C ATOM 199 C HIS A 9 -11.782 12.666 3.919 1.00 0.00 C ATOM 200 O HIS A 9 -12.498 12.670 4.923 1.00 0.00 O ATOM 201 CB HIS A 9 -10.209 14.609 3.288 1.00 0.00 C ATOM 202 CG HIS A 9 -10.115 15.815 4.180 1.00 0.00 C ATOM 203 ND1 HIS A 9 -9.003 16.608 4.371 1.00 0.00 N ATOM 204 CD2 HIS A 9 -11.126 16.330 4.938 1.00 0.00 C ATOM 205 CE1 HIS A 9 -9.341 17.591 5.217 1.00 0.00 C ATOM 206 NE2 HIS A 9 -10.629 17.469 5.576 1.00 0.00 N ATOM 0 HA HIS A 9 -10.248 13.470 5.112 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -9.315 14.560 2.666 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -11.059 14.733 2.617 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -12.125 15.931 5.028 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -8.674 18.368 5.560 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -11.147 18.091 6.197 1.00 0.00 H new ATOM 214 N PRO A 10 -12.222 12.138 2.753 1.00 0.00 N ATOM 215 CA PRO A 10 -13.554 11.560 2.561 1.00 0.00 C ATOM 216 C PRO A 10 -13.688 10.151 3.170 1.00 0.00 C ATOM 217 O PRO A 10 -13.900 9.164 2.458 1.00 0.00 O ATOM 218 CB PRO A 10 -13.761 11.586 1.041 1.00 0.00 C ATOM 219 CG PRO A 10 -12.362 11.316 0.505 1.00 0.00 C ATOM 220 CD PRO A 10 -11.490 12.079 1.494 1.00 0.00 C ATOM 0 HA PRO A 10 -14.326 12.125 3.083 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.472 10.826 0.717 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.145 12.548 0.702 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.129 10.251 0.492 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.238 11.682 -0.514 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.531 11.578 1.629 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.276 13.082 1.125 1.00 0.00 H new ATOM 228 N PHE A 11 -13.647 10.064 4.501 1.00 0.00 N ATOM 229 CA PHE A 11 -13.747 8.825 5.267 1.00 0.00 C ATOM 230 C PHE A 11 -14.949 7.971 4.863 1.00 0.00 C ATOM 231 O PHE A 11 -14.787 6.782 4.618 1.00 0.00 O ATOM 232 CB PHE A 11 -13.792 9.149 6.765 1.00 0.00 C ATOM 233 CG PHE A 11 -12.437 9.513 7.346 1.00 0.00 C ATOM 234 CD1 PHE A 11 -11.408 8.552 7.387 1.00 0.00 C ATOM 235 CD2 PHE A 11 -12.195 10.813 7.833 1.00 0.00 C ATOM 236 CE1 PHE A 11 -10.141 8.898 7.887 1.00 0.00 C ATOM 237 CE2 PHE A 11 -10.930 11.152 8.348 1.00 0.00 C ATOM 238 CZ PHE A 11 -9.901 10.195 8.372 1.00 0.00 C ATOM 0 H PHE A 11 -13.539 10.886 5.095 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.861 8.231 5.044 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.483 9.976 6.929 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -14.190 8.289 7.303 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -11.593 7.548 7.034 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.983 11.551 7.811 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -9.349 8.164 7.899 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -10.750 12.148 8.725 1.00 0.00 H new ATOM 0 HZ PHE A 11 -8.928 10.456 8.762 1.00 0.00 H new ATOM 248 N GLU A 12 -16.136 8.557 4.687 1.00 0.00 N ATOM 249 CA GLU A 12 -17.338 7.816 4.305 1.00 0.00 C ATOM 250 C GLU A 12 -17.113 6.925 3.066 1.00 0.00 C ATOM 251 O GLU A 12 -17.613 5.796 3.017 1.00 0.00 O ATOM 252 CB GLU A 12 -18.523 8.790 4.141 1.00 0.00 C ATOM 253 CG GLU A 12 -18.353 9.783 2.979 1.00 0.00 C ATOM 254 CD GLU A 12 -19.477 10.817 2.868 1.00 0.00 C ATOM 255 OE1 GLU A 12 -20.509 10.510 2.229 1.00 0.00 O ATOM 256 OE2 GLU A 12 -19.320 11.980 3.321 1.00 0.00 O ATOM 0 H GLU A 12 -16.290 9.558 4.806 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.585 7.122 5.108 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -19.435 8.215 3.985 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.653 9.348 5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -17.404 10.306 3.098 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -18.294 9.225 2.045 1.00 0.00 H new ATOM 263 N TYR A 13 -16.387 7.430 2.058 1.00 0.00 N ATOM 264 CA TYR A 13 -16.083 6.703 0.830 1.00 0.00 C ATOM 265 C TYR A 13 -14.991 5.689 1.097 1.00 0.00 C ATOM 266 O TYR A 13 -15.103 4.556 0.631 1.00 0.00 O ATOM 267 CB TYR A 13 -15.561 7.618 -0.285 1.00 0.00 C ATOM 268 CG TYR A 13 -16.568 8.574 -0.869 1.00 0.00 C ATOM 269 CD1 TYR A 13 -16.897 9.734 -0.152 1.00 0.00 C ATOM 270 CD2 TYR A 13 -17.116 8.348 -2.147 1.00 0.00 C ATOM 271 CE1 TYR A 13 -17.761 10.682 -0.702 1.00 0.00 C ATOM 272 CE2 TYR A 13 -17.943 9.324 -2.729 1.00 0.00 C ATOM 273 CZ TYR A 13 -18.258 10.501 -2.008 1.00 0.00 C ATOM 274 OH TYR A 13 -19.051 11.454 -2.561 1.00 0.00 O ATOM 0 H TYR A 13 -15.991 8.370 2.079 1.00 0.00 H new ATOM 0 HA TYR A 13 -17.016 6.238 0.512 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -14.723 8.195 0.106 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -15.170 6.994 -1.089 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -16.479 9.894 0.831 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -16.902 7.431 -2.676 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -18.048 11.551 -0.129 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -18.337 9.177 -3.724 1.00 0.00 H new ATOM 0 HH TYR A 13 -19.310 11.180 -3.466 1.00 0.00 H new ATOM 284 N ARG A 14 -13.934 6.101 1.809 1.00 0.00 N ATOM 285 CA ARG A 14 -12.819 5.221 2.123 1.00 0.00 C ATOM 286 C ARG A 14 -13.349 3.971 2.819 1.00 0.00 C ATOM 287 O ARG A 14 -13.013 2.866 2.403 1.00 0.00 O ATOM 288 CB ARG A 14 -11.823 5.977 3.020 1.00 0.00 C ATOM 289 CG ARG A 14 -10.464 5.269 3.063 1.00 0.00 C ATOM 290 CD ARG A 14 -9.456 5.887 2.079 1.00 0.00 C ATOM 291 NE ARG A 14 -8.448 6.671 2.817 1.00 0.00 N ATOM 292 CZ ARG A 14 -7.307 6.175 3.316 1.00 0.00 C ATOM 293 NH1 ARG A 14 -6.828 5.032 2.832 1.00 0.00 N ATOM 294 NH2 ARG A 14 -6.639 6.793 4.283 1.00 0.00 N ATOM 0 H ARG A 14 -13.835 7.047 2.177 1.00 0.00 H new ATOM 0 HA ARG A 14 -12.303 4.915 1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -11.694 6.993 2.648 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.227 6.056 4.029 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -10.061 5.321 4.074 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.599 4.213 2.828 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.968 5.100 1.504 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.976 6.527 1.366 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.633 7.664 2.958 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.328 4.543 2.089 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.961 4.645 3.204 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -6.992 7.670 4.666 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.773 6.391 4.642 1.00 0.00 H new ATOM 308 N LYS A 15 -14.296 4.143 3.742 1.00 0.00 N ATOM 309 CA LYS A 15 -14.908 3.062 4.484 1.00 0.00 C ATOM 310 C LYS A 15 -15.761 2.197 3.572 1.00 0.00 C ATOM 311 O LYS A 15 -15.576 0.982 3.526 1.00 0.00 O ATOM 312 CB LYS A 15 -15.764 3.690 5.606 1.00 0.00 C ATOM 313 CG LYS A 15 -16.643 2.695 6.372 1.00 0.00 C ATOM 314 CD LYS A 15 -15.812 1.526 6.899 1.00 0.00 C ATOM 315 CE LYS A 15 -16.635 0.543 7.729 1.00 0.00 C ATOM 316 NZ LYS A 15 -17.045 1.110 9.028 1.00 0.00 N ATOM 0 H LYS A 15 -14.661 5.062 3.993 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.142 2.416 4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -15.102 4.189 6.314 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.403 4.458 5.171 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -17.133 3.202 7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -17.430 2.321 5.718 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.362 0.997 6.058 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.994 1.912 7.507 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.522 0.251 7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.052 -0.362 7.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.557 0.389 9.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.202 1.412 9.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.666 1.929 8.869 1.00 0.00 H new ATOM 330 N LYS A 16 -16.677 2.808 2.819 1.00 0.00 N ATOM 331 CA LYS A 16 -17.568 2.068 1.926 1.00 0.00 C ATOM 332 C LYS A 16 -16.788 1.235 0.910 1.00 0.00 C ATOM 333 O LYS A 16 -17.035 0.035 0.783 1.00 0.00 O ATOM 334 CB LYS A 16 -18.527 3.045 1.223 1.00 0.00 C ATOM 335 CG LYS A 16 -19.658 3.520 2.151 1.00 0.00 C ATOM 336 CD LYS A 16 -20.405 4.751 1.612 1.00 0.00 C ATOM 337 CE LYS A 16 -21.283 4.426 0.397 1.00 0.00 C ATOM 338 NZ LYS A 16 -21.948 5.631 -0.142 1.00 0.00 N ATOM 0 H LYS A 16 -16.821 3.818 2.811 1.00 0.00 H new ATOM 0 HA LYS A 16 -18.151 1.369 2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -17.966 3.909 0.866 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.958 2.561 0.347 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -20.368 2.706 2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.241 3.756 3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -21.027 5.168 2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -19.681 5.518 1.337 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -20.671 3.971 -0.381 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -22.037 3.692 0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -22.531 5.368 -0.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -22.552 6.052 0.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -21.229 6.322 -0.436 1.00 0.00 H new ATOM 352 N GLU A 17 -15.874 1.849 0.165 1.00 0.00 N ATOM 353 CA GLU A 17 -15.098 1.133 -0.835 1.00 0.00 C ATOM 354 C GLU A 17 -14.094 0.164 -0.205 1.00 0.00 C ATOM 355 O GLU A 17 -13.904 -0.918 -0.759 1.00 0.00 O ATOM 356 CB GLU A 17 -14.468 2.093 -1.855 1.00 0.00 C ATOM 357 CG GLU A 17 -15.518 2.913 -2.633 1.00 0.00 C ATOM 358 CD GLU A 17 -16.677 2.076 -3.198 1.00 0.00 C ATOM 359 OE1 GLU A 17 -16.449 0.988 -3.772 1.00 0.00 O ATOM 360 OE2 GLU A 17 -17.854 2.493 -3.049 1.00 0.00 O ATOM 0 H GLU A 17 -15.654 2.842 0.237 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.788 0.505 -1.399 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.793 2.774 -1.337 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -13.865 1.521 -2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -15.926 3.680 -1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -15.023 3.430 -3.455 1.00 0.00 H new ATOM 367 N GLY A 18 -13.464 0.497 0.926 1.00 0.00 N ATOM 368 CA GLY A 18 -12.502 -0.374 1.604 1.00 0.00 C ATOM 369 C GLY A 18 -13.208 -1.654 2.050 1.00 0.00 C ATOM 370 O GLY A 18 -12.748 -2.770 1.778 1.00 0.00 O ATOM 0 H GLY A 18 -13.610 1.388 1.400 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.677 -0.615 0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.074 0.138 2.466 1.00 0.00 H new ATOM 374 N GLU A 19 -14.386 -1.502 2.659 1.00 0.00 N ATOM 375 CA GLU A 19 -15.213 -2.609 3.118 1.00 0.00 C ATOM 376 C GLU A 19 -15.552 -3.491 1.917 1.00 0.00 C ATOM 377 O GLU A 19 -15.424 -4.714 1.990 1.00 0.00 O ATOM 378 CB GLU A 19 -16.506 -2.059 3.746 1.00 0.00 C ATOM 379 CG GLU A 19 -17.545 -3.143 4.084 1.00 0.00 C ATOM 380 CD GLU A 19 -18.895 -2.512 4.422 1.00 0.00 C ATOM 381 OE1 GLU A 19 -19.012 -1.867 5.493 1.00 0.00 O ATOM 382 OE2 GLU A 19 -19.864 -2.668 3.639 1.00 0.00 O ATOM 0 H GLU A 19 -14.795 -0.587 2.848 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.679 -3.193 3.867 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.253 -1.515 4.656 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -16.955 -1.341 3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.657 -3.822 3.239 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.195 -3.738 4.927 1.00 0.00 H new ATOM 389 N LYS A 20 -15.927 -2.863 0.794 1.00 0.00 N ATOM 390 CA LYS A 20 -16.316 -3.555 -0.421 1.00 0.00 C ATOM 391 C LYS A 20 -15.157 -4.309 -1.053 1.00 0.00 C ATOM 392 O LYS A 20 -15.358 -5.479 -1.369 1.00 0.00 O ATOM 393 CB LYS A 20 -16.915 -2.524 -1.394 1.00 0.00 C ATOM 394 CG LYS A 20 -17.574 -3.134 -2.645 1.00 0.00 C ATOM 395 CD LYS A 20 -18.205 -2.060 -3.548 1.00 0.00 C ATOM 396 CE LYS A 20 -19.331 -1.302 -2.829 1.00 0.00 C ATOM 397 NZ LYS A 20 -19.945 -0.248 -3.659 1.00 0.00 N ATOM 0 H LYS A 20 -15.966 -1.847 0.713 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.061 -4.312 -0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.657 -1.929 -0.861 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.127 -1.841 -1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.828 -3.691 -3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.340 -3.846 -2.340 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -17.437 -1.355 -3.866 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -18.600 -2.529 -4.449 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -20.101 -2.011 -2.525 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -18.934 -0.853 -1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -20.696 0.226 -3.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.221 0.448 -3.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -20.351 -0.674 -4.516 1.00 0.00 H new ATOM 411 N ILE A 21 -13.961 -3.732 -1.196 1.00 0.00 N ATOM 412 CA ILE A 21 -12.884 -4.481 -1.841 1.00 0.00 C ATOM 413 C ILE A 21 -12.367 -5.610 -0.950 1.00 0.00 C ATOM 414 O ILE A 21 -12.059 -6.680 -1.480 1.00 0.00 O ATOM 415 CB ILE A 21 -11.773 -3.511 -2.302 1.00 0.00 C ATOM 416 CG1 ILE A 21 -10.810 -4.106 -3.338 1.00 0.00 C ATOM 417 CG2 ILE A 21 -10.958 -2.911 -1.149 1.00 0.00 C ATOM 418 CD1 ILE A 21 -11.494 -4.622 -4.608 1.00 0.00 C ATOM 0 H ILE A 21 -13.721 -2.790 -0.888 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.277 -4.973 -2.731 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.337 -2.711 -2.782 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -10.079 -3.347 -3.616 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.259 -4.926 -2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.198 -2.241 -1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.620 -2.353 -0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.476 -3.712 -0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.743 -5.026 -5.287 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -12.205 -5.406 -4.346 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -12.021 -3.802 -5.096 1.00 0.00 H new ATOM 430 N ARG A 22 -12.409 -5.469 0.383 1.00 0.00 N ATOM 431 CA ARG A 22 -11.945 -6.539 1.268 1.00 0.00 C ATOM 432 C ARG A 22 -13.011 -7.635 1.248 1.00 0.00 C ATOM 433 O ARG A 22 -12.691 -8.812 1.158 1.00 0.00 O ATOM 434 CB ARG A 22 -11.651 -6.001 2.688 1.00 0.00 C ATOM 435 CG ARG A 22 -10.562 -6.769 3.468 1.00 0.00 C ATOM 436 CD ARG A 22 -10.855 -8.265 3.651 1.00 0.00 C ATOM 437 NE ARG A 22 -9.854 -8.981 4.467 1.00 0.00 N ATOM 438 CZ ARG A 22 -9.826 -9.055 5.806 1.00 0.00 C ATOM 439 NH1 ARG A 22 -10.744 -8.453 6.553 1.00 0.00 N ATOM 440 NH2 ARG A 22 -8.888 -9.743 6.439 1.00 0.00 N ATOM 0 H ARG A 22 -12.754 -4.638 0.863 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.998 -6.955 0.923 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.350 -4.956 2.609 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.574 -6.024 3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.611 -6.658 2.947 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.443 -6.311 4.450 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.835 -8.378 4.116 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.912 -8.736 2.670 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.112 -9.467 3.963 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.492 -7.919 6.110 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.701 -8.524 7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.167 -10.231 5.907 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.887 -9.785 7.458 1.00 0.00 H new ATOM 454 N LYS A 23 -14.297 -7.269 1.264 1.00 0.00 N ATOM 455 CA LYS A 23 -15.383 -8.243 1.236 1.00 0.00 C ATOM 456 C LYS A 23 -15.328 -9.034 -0.069 1.00 0.00 C ATOM 457 O LYS A 23 -15.466 -10.254 -0.057 1.00 0.00 O ATOM 458 CB LYS A 23 -16.736 -7.521 1.356 1.00 0.00 C ATOM 459 CG LYS A 23 -17.891 -8.491 1.622 1.00 0.00 C ATOM 460 CD LYS A 23 -19.241 -7.881 1.227 1.00 0.00 C ATOM 461 CE LYS A 23 -20.408 -8.855 1.433 1.00 0.00 C ATOM 462 NZ LYS A 23 -20.250 -10.098 0.649 1.00 0.00 N ATOM 0 H LYS A 23 -14.608 -6.298 1.296 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.273 -8.929 2.076 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -16.685 -6.790 2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -16.933 -6.968 0.437 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.730 -9.412 1.063 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -17.907 -8.758 2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.415 -6.980 1.816 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -19.206 -7.576 0.181 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -20.487 -9.104 2.491 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -21.340 -8.366 1.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.138 -10.638 0.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -20.015 -9.860 -0.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -19.485 -10.672 1.058 1.00 0.00 H new ATOM 476 N LYS A 24 -15.153 -8.343 -1.198 1.00 0.00 N ATOM 477 CA LYS A 24 -15.107 -8.964 -2.513 1.00 0.00 C ATOM 478 C LYS A 24 -13.881 -9.879 -2.651 1.00 0.00 C ATOM 479 O LYS A 24 -14.049 -11.010 -3.097 1.00 0.00 O ATOM 480 CB LYS A 24 -15.227 -7.854 -3.576 1.00 0.00 C ATOM 481 CG LYS A 24 -15.864 -8.284 -4.905 1.00 0.00 C ATOM 482 CD LYS A 24 -14.897 -9.069 -5.786 1.00 0.00 C ATOM 483 CE LYS A 24 -15.392 -9.225 -7.227 1.00 0.00 C ATOM 484 NZ LYS A 24 -15.336 -7.967 -8.006 1.00 0.00 N ATOM 0 H LYS A 24 -15.039 -7.330 -1.220 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.950 -9.638 -2.665 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.814 -7.036 -3.159 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.231 -7.460 -3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -16.744 -8.894 -4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.206 -7.400 -5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.930 -8.566 -5.792 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.740 -10.057 -5.353 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.791 -9.983 -7.730 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.419 -9.590 -7.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.185 -7.890 -8.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.295 -7.157 -7.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.489 -7.970 -8.609 1.00 0.00 H new ATOM 498 N TYR A 25 -12.688 -9.448 -2.230 1.00 0.00 N ATOM 499 CA TYR A 25 -11.455 -10.235 -2.306 1.00 0.00 C ATOM 500 C TYR A 25 -10.876 -10.363 -0.886 1.00 0.00 C ATOM 501 O TYR A 25 -9.956 -9.626 -0.538 1.00 0.00 O ATOM 502 CB TYR A 25 -10.479 -9.591 -3.310 1.00 0.00 C ATOM 503 CG TYR A 25 -11.018 -9.441 -4.726 1.00 0.00 C ATOM 504 CD1 TYR A 25 -11.465 -10.569 -5.442 1.00 0.00 C ATOM 505 CD2 TYR A 25 -11.043 -8.177 -5.345 1.00 0.00 C ATOM 506 CE1 TYR A 25 -11.926 -10.439 -6.763 1.00 0.00 C ATOM 507 CE2 TYR A 25 -11.510 -8.031 -6.662 1.00 0.00 C ATOM 508 CZ TYR A 25 -11.944 -9.170 -7.380 1.00 0.00 C ATOM 509 OH TYR A 25 -12.433 -9.044 -8.641 1.00 0.00 O ATOM 0 H TYR A 25 -12.550 -8.525 -1.819 1.00 0.00 H new ATOM 0 HA TYR A 25 -11.648 -11.241 -2.679 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -10.197 -8.606 -2.939 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.570 -10.191 -3.345 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.453 -11.541 -4.972 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.699 -7.309 -4.801 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -12.266 -11.309 -7.305 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.537 -7.055 -7.124 1.00 0.00 H new ATOM 0 HH TYR A 25 -12.377 -8.107 -8.922 1.00 0.00 H new ATOM 519 N PRO A 26 -11.356 -11.311 -0.056 1.00 0.00 N ATOM 520 CA PRO A 26 -10.899 -11.485 1.327 1.00 0.00 C ATOM 521 C PRO A 26 -9.406 -11.773 1.526 1.00 0.00 C ATOM 522 O PRO A 26 -8.871 -11.459 2.593 1.00 0.00 O ATOM 523 CB PRO A 26 -11.796 -12.566 1.936 1.00 0.00 C ATOM 524 CG PRO A 26 -12.371 -13.306 0.732 1.00 0.00 C ATOM 525 CD PRO A 26 -12.431 -12.242 -0.355 1.00 0.00 C ATOM 0 HA PRO A 26 -10.993 -10.528 1.840 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.228 -13.237 2.580 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.585 -12.129 2.548 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.738 -14.143 0.438 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.359 -13.714 0.948 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -12.302 -12.684 -1.343 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -13.397 -11.737 -0.355 1.00 0.00 H new ATOM 533 N ASP A 27 -8.738 -12.341 0.521 1.00 0.00 N ATOM 534 CA ASP A 27 -7.309 -12.678 0.537 1.00 0.00 C ATOM 535 C ASP A 27 -6.413 -11.477 0.228 1.00 0.00 C ATOM 536 O ASP A 27 -5.192 -11.573 0.354 1.00 0.00 O ATOM 537 CB ASP A 27 -7.090 -13.751 -0.538 1.00 0.00 C ATOM 538 CG ASP A 27 -5.636 -14.167 -0.786 1.00 0.00 C ATOM 539 OD1 ASP A 27 -5.065 -14.913 0.038 1.00 0.00 O ATOM 540 OD2 ASP A 27 -5.135 -13.912 -1.909 1.00 0.00 O ATOM 0 H ASP A 27 -9.191 -12.589 -0.359 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.041 -13.023 1.536 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.658 -14.638 -0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.508 -13.387 -1.477 1.00 0.00 H new ATOM 545 N ARG A 28 -6.979 -10.338 -0.189 1.00 0.00 N ATOM 546 CA ARG A 28 -6.207 -9.150 -0.545 1.00 0.00 C ATOM 547 C ARG A 28 -6.728 -7.900 0.155 1.00 0.00 C ATOM 548 O ARG A 28 -7.853 -7.874 0.649 1.00 0.00 O ATOM 549 CB ARG A 28 -6.153 -8.996 -2.074 1.00 0.00 C ATOM 550 CG ARG A 28 -5.864 -10.282 -2.881 1.00 0.00 C ATOM 551 CD ARG A 28 -5.341 -9.945 -4.285 1.00 0.00 C ATOM 552 NE ARG A 28 -5.348 -11.103 -5.193 1.00 0.00 N ATOM 553 CZ ARG A 28 -6.259 -11.354 -6.146 1.00 0.00 C ATOM 554 NH1 ARG A 28 -7.330 -10.585 -6.294 1.00 0.00 N ATOM 555 NH2 ARG A 28 -6.101 -12.391 -6.960 1.00 0.00 N ATOM 0 H ARG A 28 -7.987 -10.218 -0.288 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.185 -9.281 -0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.106 -8.587 -2.411 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.387 -8.260 -2.317 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.130 -10.890 -2.352 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.773 -10.877 -2.961 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.952 -9.150 -4.713 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.325 -9.558 -4.205 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.590 -11.778 -5.088 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.473 -9.785 -5.677 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.010 -10.793 -7.025 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.287 -12.997 -6.861 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.794 -12.581 -7.684 1.00 0.00 H new ATOM 569 N VAL A 29 -5.898 -6.858 0.224 1.00 0.00 N ATOM 570 CA VAL A 29 -6.240 -5.600 0.882 1.00 0.00 C ATOM 571 C VAL A 29 -5.737 -4.391 0.080 1.00 0.00 C ATOM 572 O VAL A 29 -4.723 -4.506 -0.621 1.00 0.00 O ATOM 573 CB VAL A 29 -5.649 -5.606 2.309 1.00 0.00 C ATOM 574 CG1 VAL A 29 -6.308 -6.684 3.178 1.00 0.00 C ATOM 575 CG2 VAL A 29 -4.125 -5.811 2.337 1.00 0.00 C ATOM 0 H VAL A 29 -4.961 -6.866 -0.180 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.325 -5.510 0.938 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.861 -4.616 2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.871 -6.664 4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.379 -6.492 3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.143 -7.664 2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.776 -5.805 3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.878 -6.767 1.876 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.639 -5.006 1.785 1.00 0.00 H new ATOM 585 N PRO A 30 -6.418 -3.230 0.155 1.00 0.00 N ATOM 586 CA PRO A 30 -6.008 -2.025 -0.551 1.00 0.00 C ATOM 587 C PRO A 30 -4.863 -1.366 0.238 1.00 0.00 C ATOM 588 O PRO A 30 -4.970 -1.106 1.446 1.00 0.00 O ATOM 589 CB PRO A 30 -7.271 -1.177 -0.635 1.00 0.00 C ATOM 590 CG PRO A 30 -8.004 -1.505 0.664 1.00 0.00 C ATOM 591 CD PRO A 30 -7.628 -2.966 0.930 1.00 0.00 C ATOM 0 HA PRO A 30 -5.618 -2.192 -1.555 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.038 -0.115 -0.708 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.869 -1.433 -1.510 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.686 -0.854 1.479 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.082 -1.381 0.559 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.453 -3.134 1.993 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.435 -3.635 0.630 1.00 0.00 H new ATOM 599 N VAL A 31 -3.762 -1.082 -0.456 1.00 0.00 N ATOM 600 CA VAL A 31 -2.573 -0.497 0.134 1.00 0.00 C ATOM 601 C VAL A 31 -2.148 0.741 -0.651 1.00 0.00 C ATOM 602 O VAL A 31 -2.059 0.709 -1.879 1.00 0.00 O ATOM 603 CB VAL A 31 -1.485 -1.588 0.178 1.00 0.00 C ATOM 604 CG1 VAL A 31 -0.188 -1.059 0.789 1.00 0.00 C ATOM 605 CG2 VAL A 31 -1.958 -2.818 0.969 1.00 0.00 C ATOM 0 H VAL A 31 -3.676 -1.257 -1.457 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.761 -0.155 1.152 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.293 -1.883 -0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.558 -1.854 0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.182 -0.226 0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.378 -0.719 1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.168 -3.569 0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.195 -2.524 1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.847 -3.235 0.496 1.00 0.00 H new ATOM 615 N ILE A 32 -1.895 1.844 0.047 1.00 0.00 N ATOM 616 CA ILE A 32 -1.457 3.094 -0.551 1.00 0.00 C ATOM 617 C ILE A 32 0.061 3.108 -0.410 1.00 0.00 C ATOM 618 O ILE A 32 0.587 2.752 0.645 1.00 0.00 O ATOM 619 CB ILE A 32 -2.143 4.309 0.103 1.00 0.00 C ATOM 620 CG1 ILE A 32 -3.683 4.177 0.115 1.00 0.00 C ATOM 621 CG2 ILE A 32 -1.743 5.605 -0.631 1.00 0.00 C ATOM 622 CD1 ILE A 32 -4.296 3.937 -1.267 1.00 0.00 C ATOM 0 H ILE A 32 -1.991 1.892 1.061 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.739 3.165 -1.602 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.805 4.348 1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.962 3.354 0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.112 5.085 0.539 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.234 6.456 -0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.662 5.734 -0.578 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.050 5.541 -1.675 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.379 3.855 -1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.049 4.771 -1.924 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.897 3.014 -1.687 1.00 0.00 H new ATOM 634 N VAL A 33 0.771 3.482 -1.472 1.00 0.00 N ATOM 635 CA VAL A 33 2.224 3.543 -1.526 1.00 0.00 C ATOM 636 C VAL A 33 2.632 5.000 -1.735 1.00 0.00 C ATOM 637 O VAL A 33 2.223 5.603 -2.728 1.00 0.00 O ATOM 638 CB VAL A 33 2.736 2.629 -2.659 1.00 0.00 C ATOM 639 CG1 VAL A 33 4.268 2.671 -2.741 1.00 0.00 C ATOM 640 CG2 VAL A 33 2.288 1.168 -2.475 1.00 0.00 C ATOM 0 H VAL A 33 0.331 3.760 -2.349 1.00 0.00 H new ATOM 0 HA VAL A 33 2.669 3.187 -0.597 1.00 0.00 H new ATOM 0 HB VAL A 33 2.302 3.010 -3.584 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.607 2.020 -3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.594 3.692 -2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.692 2.331 -1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.672 0.563 -3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.675 0.785 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.199 1.120 -2.467 1.00 0.00 H new ATOM 650 N GLU A 34 3.468 5.551 -0.847 1.00 0.00 N ATOM 651 CA GLU A 34 3.929 6.932 -0.949 1.00 0.00 C ATOM 652 C GLU A 34 5.445 7.029 -0.702 1.00 0.00 C ATOM 653 O GLU A 34 6.066 6.201 -0.018 1.00 0.00 O ATOM 654 CB GLU A 34 3.055 7.830 -0.049 1.00 0.00 C ATOM 655 CG GLU A 34 3.099 9.310 -0.455 1.00 0.00 C ATOM 656 CD GLU A 34 1.914 10.117 0.103 1.00 0.00 C ATOM 657 OE1 GLU A 34 0.749 9.867 -0.282 1.00 0.00 O ATOM 658 OE2 GLU A 34 2.151 11.074 0.879 1.00 0.00 O ATOM 0 H GLU A 34 3.841 5.050 -0.041 1.00 0.00 H new ATOM 0 HA GLU A 34 3.801 7.308 -1.964 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.024 7.479 -0.087 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.387 7.732 0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.031 9.751 -0.102 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.103 9.384 -1.542 1.00 0.00 H new ATOM 665 N LYS A 35 6.062 8.029 -1.335 1.00 0.00 N ATOM 666 CA LYS A 35 7.491 8.275 -1.236 1.00 0.00 C ATOM 667 C LYS A 35 7.745 9.253 -0.098 1.00 0.00 C ATOM 668 O LYS A 35 7.095 10.302 -0.043 1.00 0.00 O ATOM 669 CB LYS A 35 8.045 8.729 -2.610 1.00 0.00 C ATOM 670 CG LYS A 35 7.949 10.218 -3.003 1.00 0.00 C ATOM 671 CD LYS A 35 9.035 11.157 -2.430 1.00 0.00 C ATOM 672 CE LYS A 35 10.478 10.777 -2.777 1.00 0.00 C ATOM 673 NZ LYS A 35 10.776 10.916 -4.216 1.00 0.00 N ATOM 0 H LYS A 35 5.574 8.694 -1.935 1.00 0.00 H new ATOM 0 HA LYS A 35 8.036 7.364 -0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.097 8.446 -2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.530 8.152 -3.379 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.979 10.286 -4.090 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.975 10.591 -2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.846 12.168 -2.792 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.934 11.183 -1.345 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.162 11.406 -2.207 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.661 9.747 -2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.765 10.646 -4.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.144 10.296 -4.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.629 11.904 -4.507 1.00 0.00 H new ATOM 687 N ALA A 36 8.681 8.929 0.786 1.00 0.00 N ATOM 688 CA ALA A 36 9.065 9.770 1.910 1.00 0.00 C ATOM 689 C ALA A 36 10.227 10.665 1.437 1.00 0.00 C ATOM 690 O ALA A 36 10.875 10.353 0.427 1.00 0.00 O ATOM 691 CB ALA A 36 9.488 8.847 3.053 1.00 0.00 C ATOM 0 H ALA A 36 9.205 8.055 0.739 1.00 0.00 H new ATOM 0 HA ALA A 36 8.253 10.406 2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.783 9.446 3.914 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.653 8.203 3.328 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.330 8.233 2.732 1.00 0.00 H new ATOM 697 N PRO A 37 10.502 11.783 2.128 1.00 0.00 N ATOM 698 CA PRO A 37 11.570 12.694 1.757 1.00 0.00 C ATOM 699 C PRO A 37 12.941 12.076 2.008 1.00 0.00 C ATOM 700 O PRO A 37 13.079 11.108 2.756 1.00 0.00 O ATOM 701 CB PRO A 37 11.345 13.959 2.579 1.00 0.00 C ATOM 702 CG PRO A 37 10.503 13.514 3.771 1.00 0.00 C ATOM 703 CD PRO A 37 9.804 12.244 3.312 1.00 0.00 C ATOM 0 HA PRO A 37 11.552 12.920 0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.291 14.391 2.904 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.830 14.722 1.995 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.126 13.327 4.645 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.782 14.281 4.052 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.828 11.486 4.094 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.755 12.439 3.090 1.00 0.00 H new ATOM 711 N LYS A 38 13.964 12.691 1.403 1.00 0.00 N ATOM 712 CA LYS A 38 15.376 12.301 1.455 1.00 0.00 C ATOM 713 C LYS A 38 15.640 10.938 0.794 1.00 0.00 C ATOM 714 O LYS A 38 16.801 10.531 0.679 1.00 0.00 O ATOM 715 CB LYS A 38 15.928 12.365 2.889 1.00 0.00 C ATOM 716 CG LYS A 38 15.823 13.735 3.578 1.00 0.00 C ATOM 717 CD LYS A 38 16.703 14.808 2.922 1.00 0.00 C ATOM 718 CE LYS A 38 17.037 15.897 3.951 1.00 0.00 C ATOM 719 NZ LYS A 38 18.211 16.695 3.546 1.00 0.00 N ATOM 0 H LYS A 38 13.819 13.523 0.831 1.00 0.00 H new ATOM 0 HA LYS A 38 15.924 13.034 0.863 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.399 11.631 3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.976 12.067 2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.784 14.065 3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 38 16.107 13.631 4.625 1.00 0.00 H new ATOM 0 HD2 LYS A 38 17.620 14.358 2.542 1.00 0.00 H new ATOM 0 HD3 LYS A 38 16.185 15.246 2.069 1.00 0.00 H new ATOM 0 HE2 LYS A 38 16.177 16.554 4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 38 17.229 15.435 4.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.404 17.419 4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 19.038 16.072 3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 18.019 17.157 2.634 1.00 0.00 H new ATOM 733 N ALA A 39 14.593 10.254 0.325 1.00 0.00 N ATOM 734 CA ALA A 39 14.681 8.959 -0.311 1.00 0.00 C ATOM 735 C ALA A 39 15.453 9.056 -1.613 1.00 0.00 C ATOM 736 O ALA A 39 15.371 10.068 -2.312 1.00 0.00 O ATOM 737 CB ALA A 39 13.279 8.439 -0.565 1.00 0.00 C ATOM 0 H ALA A 39 13.637 10.606 0.384 1.00 0.00 H new ATOM 0 HA ALA A 39 15.213 8.269 0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 39 13.335 7.462 -1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.747 8.348 0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.746 9.133 -1.215 1.00 0.00 H new ATOM 743 N ARG A 40 16.081 7.950 -2.002 1.00 0.00 N ATOM 744 CA ARG A 40 16.894 7.894 -3.216 1.00 0.00 C ATOM 745 C ARG A 40 16.412 6.874 -4.262 1.00 0.00 C ATOM 746 O ARG A 40 16.780 7.011 -5.428 1.00 0.00 O ATOM 747 CB ARG A 40 18.357 7.733 -2.743 1.00 0.00 C ATOM 748 CG ARG A 40 19.438 8.450 -3.562 1.00 0.00 C ATOM 749 CD ARG A 40 19.669 7.857 -4.951 1.00 0.00 C ATOM 750 NE ARG A 40 21.015 8.172 -5.444 1.00 0.00 N ATOM 751 CZ ARG A 40 21.365 9.183 -6.248 1.00 0.00 C ATOM 752 NH1 ARG A 40 20.468 10.045 -6.720 1.00 0.00 N ATOM 753 NH2 ARG A 40 22.631 9.356 -6.598 1.00 0.00 N ATOM 0 H ARG A 40 16.042 7.070 -1.488 1.00 0.00 H new ATOM 0 HA ARG A 40 16.797 8.814 -3.792 1.00 0.00 H new ATOM 0 HB2 ARG A 40 18.421 8.087 -1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 40 18.593 6.669 -2.729 1.00 0.00 H new ATOM 0 HG2 ARG A 40 19.161 9.499 -3.669 1.00 0.00 H new ATOM 0 HG3 ARG A 40 20.376 8.423 -3.007 1.00 0.00 H new ATOM 0 HD2 ARG A 40 19.536 6.776 -4.915 1.00 0.00 H new ATOM 0 HD3 ARG A 40 18.924 8.247 -5.645 1.00 0.00 H new ATOM 0 HE ARG A 40 21.766 7.552 -5.141 1.00 0.00 H new ATOM 0 HH11 ARG A 40 19.484 9.945 -6.471 1.00 0.00 H new ATOM 0 HH12 ARG A 40 20.764 10.806 -7.331 1.00 0.00 H new ATOM 0 HH21 ARG A 40 23.347 8.716 -6.254 1.00 0.00 H new ATOM 0 HH22 ARG A 40 22.890 10.129 -7.211 1.00 0.00 H new ATOM 767 N VAL A 41 15.527 5.929 -3.926 1.00 0.00 N ATOM 768 CA VAL A 41 15.046 4.933 -4.900 1.00 0.00 C ATOM 769 C VAL A 41 13.854 5.498 -5.711 1.00 0.00 C ATOM 770 O VAL A 41 13.119 6.344 -5.189 1.00 0.00 O ATOM 771 CB VAL A 41 14.722 3.586 -4.207 1.00 0.00 C ATOM 772 CG1 VAL A 41 15.925 3.033 -3.430 1.00 0.00 C ATOM 773 CG2 VAL A 41 13.478 3.634 -3.313 1.00 0.00 C ATOM 0 H VAL A 41 15.129 5.830 -2.992 1.00 0.00 H new ATOM 0 HA VAL A 41 15.843 4.724 -5.614 1.00 0.00 H new ATOM 0 HB VAL A 41 14.492 2.900 -5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 41 15.652 2.088 -2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 41 16.757 2.871 -4.115 1.00 0.00 H new ATOM 0 HG13 VAL A 41 16.221 3.747 -2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 41 13.316 2.655 -2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 41 13.623 4.375 -2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.609 3.906 -3.913 1.00 0.00 H new ATOM 783 N PRO A 42 13.611 5.016 -6.948 1.00 0.00 N ATOM 784 CA PRO A 42 12.536 5.463 -7.842 1.00 0.00 C ATOM 785 C PRO A 42 11.093 5.349 -7.330 1.00 0.00 C ATOM 786 O PRO A 42 10.797 4.666 -6.343 1.00 0.00 O ATOM 787 CB PRO A 42 12.792 4.801 -9.195 1.00 0.00 C ATOM 788 CG PRO A 42 13.660 3.586 -8.886 1.00 0.00 C ATOM 789 CD PRO A 42 14.432 4.022 -7.642 1.00 0.00 C ATOM 0 HA PRO A 42 12.589 6.549 -7.918 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.858 4.506 -9.673 1.00 0.00 H new ATOM 0 HB3 PRO A 42 13.298 5.483 -9.878 1.00 0.00 H new ATOM 0 HG2 PRO A 42 13.058 2.698 -8.696 1.00 0.00 H new ATOM 0 HG3 PRO A 42 14.329 3.347 -9.713 1.00 0.00 H new ATOM 0 HD2 PRO A 42 14.632 3.168 -6.994 1.00 0.00 H new ATOM 0 HD3 PRO A 42 15.398 4.446 -7.918 1.00 0.00 H new ATOM 797 N ASP A 43 10.202 6.127 -7.954 1.00 0.00 N ATOM 798 CA ASP A 43 8.769 6.243 -7.674 1.00 0.00 C ATOM 799 C ASP A 43 7.901 5.961 -8.908 1.00 0.00 C ATOM 800 O ASP A 43 8.437 5.835 -10.009 1.00 0.00 O ATOM 801 CB ASP A 43 8.453 7.615 -7.052 1.00 0.00 C ATOM 802 CG ASP A 43 8.432 8.768 -8.056 1.00 0.00 C ATOM 803 OD1 ASP A 43 7.558 8.802 -8.945 1.00 0.00 O ATOM 804 OD2 ASP A 43 9.219 9.725 -7.886 1.00 0.00 O ATOM 0 H ASP A 43 10.485 6.735 -8.723 1.00 0.00 H new ATOM 0 HA ASP A 43 8.514 5.471 -6.948 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.484 7.562 -6.556 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.194 7.832 -6.282 1.00 0.00 H new ATOM 809 N LEU A 44 6.587 5.758 -8.742 1.00 0.00 N ATOM 810 CA LEU A 44 5.639 5.497 -9.835 1.00 0.00 C ATOM 811 C LEU A 44 4.561 6.581 -9.861 1.00 0.00 C ATOM 812 O LEU A 44 4.267 7.193 -8.840 1.00 0.00 O ATOM 813 CB LEU A 44 4.993 4.101 -9.731 1.00 0.00 C ATOM 814 CG LEU A 44 5.907 2.976 -10.260 1.00 0.00 C ATOM 815 CD1 LEU A 44 6.579 2.227 -9.111 1.00 0.00 C ATOM 816 CD2 LEU A 44 5.126 1.961 -11.101 1.00 0.00 C ATOM 0 H LEU A 44 6.143 5.771 -7.824 1.00 0.00 H new ATOM 0 HA LEU A 44 6.202 5.519 -10.768 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.742 3.899 -8.690 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.058 4.096 -10.291 1.00 0.00 H new ATOM 0 HG LEU A 44 6.661 3.459 -10.882 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.217 1.440 -9.513 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.184 2.922 -8.528 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.817 1.784 -8.470 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.804 1.184 -11.456 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.343 1.509 -10.492 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.675 2.466 -11.955 1.00 0.00 H new ATOM 828 N ASP A 45 3.925 6.778 -11.021 1.00 0.00 N ATOM 829 CA ASP A 45 2.862 7.768 -11.268 1.00 0.00 C ATOM 830 C ASP A 45 1.534 7.437 -10.560 1.00 0.00 C ATOM 831 O ASP A 45 0.499 8.004 -10.911 1.00 0.00 O ATOM 832 CB ASP A 45 2.588 7.873 -12.785 1.00 0.00 C ATOM 833 CG ASP A 45 3.722 8.490 -13.588 1.00 0.00 C ATOM 834 OD1 ASP A 45 3.901 9.728 -13.526 1.00 0.00 O ATOM 835 OD2 ASP A 45 4.397 7.758 -14.348 1.00 0.00 O ATOM 0 H ASP A 45 4.144 6.229 -11.852 1.00 0.00 H new ATOM 0 HA ASP A 45 3.228 8.710 -10.860 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.384 6.876 -13.175 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.686 8.466 -12.939 1.00 0.00 H new ATOM 840 N LYS A 46 1.491 6.466 -9.646 1.00 0.00 N ATOM 841 CA LYS A 46 0.280 6.059 -8.935 1.00 0.00 C ATOM 842 C LYS A 46 0.613 5.743 -7.487 1.00 0.00 C ATOM 843 O LYS A 46 1.765 5.439 -7.175 1.00 0.00 O ATOM 844 CB LYS A 46 -0.374 4.856 -9.642 1.00 0.00 C ATOM 845 CG LYS A 46 0.551 3.638 -9.856 1.00 0.00 C ATOM 846 CD LYS A 46 0.696 3.265 -11.339 1.00 0.00 C ATOM 847 CE LYS A 46 1.539 4.323 -12.057 1.00 0.00 C ATOM 848 NZ LYS A 46 1.516 4.181 -13.521 1.00 0.00 N ATOM 0 H LYS A 46 2.315 5.930 -9.374 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.439 6.878 -8.944 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.238 4.538 -9.059 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.747 5.184 -10.612 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.535 3.856 -9.441 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.155 2.784 -9.307 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.166 2.286 -11.433 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.287 3.193 -11.804 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.174 5.314 -11.788 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.569 4.257 -11.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.169 4.869 -13.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.810 3.218 -13.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.553 4.356 -13.872 1.00 0.00 H new ATOM 862 N ARG A 47 -0.399 5.792 -6.621 1.00 0.00 N ATOM 863 CA ARG A 47 -0.271 5.524 -5.192 1.00 0.00 C ATOM 864 C ARG A 47 -1.243 4.447 -4.732 1.00 0.00 C ATOM 865 O ARG A 47 -0.953 3.803 -3.731 1.00 0.00 O ATOM 866 CB ARG A 47 -0.513 6.800 -4.355 1.00 0.00 C ATOM 867 CG ARG A 47 0.201 8.079 -4.818 1.00 0.00 C ATOM 868 CD ARG A 47 1.726 7.993 -4.795 1.00 0.00 C ATOM 869 NE ARG A 47 2.308 9.184 -5.431 1.00 0.00 N ATOM 870 CZ ARG A 47 3.467 9.234 -6.097 1.00 0.00 C ATOM 871 NH1 ARG A 47 4.265 8.174 -6.178 1.00 0.00 N ATOM 872 NH2 ARG A 47 3.827 10.365 -6.683 1.00 0.00 N ATOM 0 H ARG A 47 -1.352 6.025 -6.902 1.00 0.00 H new ATOM 0 HA ARG A 47 0.750 5.175 -5.036 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.585 6.997 -4.338 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.210 6.595 -3.328 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.122 8.314 -5.832 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.114 8.907 -4.183 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.078 7.911 -3.767 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.055 7.095 -5.317 1.00 0.00 H new ATOM 0 HE ARG A 47 1.779 10.053 -5.358 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.998 7.299 -5.727 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.144 8.236 -6.691 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.223 11.185 -6.624 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.708 10.417 -7.194 1.00 0.00 H new ATOM 886 N LYS A 48 -2.380 4.229 -5.405 1.00 0.00 N ATOM 887 CA LYS A 48 -3.339 3.215 -4.974 1.00 0.00 C ATOM 888 C LYS A 48 -2.941 1.874 -5.569 1.00 0.00 C ATOM 889 O LYS A 48 -2.930 1.697 -6.795 1.00 0.00 O ATOM 890 CB LYS A 48 -4.759 3.614 -5.415 1.00 0.00 C ATOM 891 CG LYS A 48 -5.227 4.896 -4.710 1.00 0.00 C ATOM 892 CD LYS A 48 -6.571 5.444 -5.189 1.00 0.00 C ATOM 893 CE LYS A 48 -6.489 6.146 -6.552 1.00 0.00 C ATOM 894 NZ LYS A 48 -7.114 5.363 -7.629 1.00 0.00 N ATOM 0 H LYS A 48 -2.653 4.740 -6.244 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.335 3.135 -3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.778 3.764 -6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.452 2.802 -5.194 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.292 4.701 -3.640 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.468 5.666 -4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.288 4.625 -5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.954 6.146 -4.449 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.976 7.119 -6.485 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.444 6.329 -6.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.032 5.881 -8.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.634 4.444 -7.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.119 5.210 -7.409 1.00 0.00 H new ATOM 908 N TYR A 49 -2.727 0.907 -4.689 1.00 0.00 N ATOM 909 CA TYR A 49 -2.340 -0.444 -5.020 1.00 0.00 C ATOM 910 C TYR A 49 -3.177 -1.412 -4.194 1.00 0.00 C ATOM 911 O TYR A 49 -3.923 -1.027 -3.292 1.00 0.00 O ATOM 912 CB TYR A 49 -0.839 -0.652 -4.729 1.00 0.00 C ATOM 913 CG TYR A 49 0.117 -0.036 -5.735 1.00 0.00 C ATOM 914 CD1 TYR A 49 0.556 1.290 -5.575 1.00 0.00 C ATOM 915 CD2 TYR A 49 0.595 -0.796 -6.819 1.00 0.00 C ATOM 916 CE1 TYR A 49 1.448 1.864 -6.497 1.00 0.00 C ATOM 917 CE2 TYR A 49 1.492 -0.239 -7.745 1.00 0.00 C ATOM 918 CZ TYR A 49 1.913 1.099 -7.589 1.00 0.00 C ATOM 919 OH TYR A 49 2.827 1.625 -8.444 1.00 0.00 O ATOM 0 H TYR A 49 -2.824 1.055 -3.685 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.511 -0.627 -6.081 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.618 -0.239 -3.745 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.643 -1.723 -4.677 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.205 1.873 -4.736 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.269 -1.818 -6.940 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.776 2.885 -6.371 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.857 -0.831 -8.571 1.00 0.00 H new ATOM 0 HH TYR A 49 3.394 2.264 -7.964 1.00 0.00 H new ATOM 929 N LEU A 50 -3.078 -2.694 -4.516 1.00 0.00 N ATOM 930 CA LEU A 50 -3.769 -3.766 -3.820 1.00 0.00 C ATOM 931 C LEU A 50 -2.804 -4.951 -3.812 1.00 0.00 C ATOM 932 O LEU A 50 -2.158 -5.216 -4.831 1.00 0.00 O ATOM 933 CB LEU A 50 -5.129 -3.994 -4.488 1.00 0.00 C ATOM 934 CG LEU A 50 -5.950 -5.112 -3.831 1.00 0.00 C ATOM 935 CD1 LEU A 50 -7.450 -4.857 -3.988 1.00 0.00 C ATOM 936 CD2 LEU A 50 -5.618 -6.470 -4.436 1.00 0.00 C ATOM 0 H LEU A 50 -2.500 -3.024 -5.289 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.020 -3.553 -2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.701 -3.067 -4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.973 -4.237 -5.539 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.690 -5.116 -2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.008 -5.664 -3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.709 -3.910 -3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.703 -4.815 -5.047 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.216 -7.241 -3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.841 -6.457 -5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.560 -6.685 -4.289 1.00 0.00 H new ATOM 948 N VAL A 51 -2.667 -5.638 -2.678 1.00 0.00 N ATOM 949 CA VAL A 51 -1.759 -6.778 -2.527 1.00 0.00 C ATOM 950 C VAL A 51 -2.388 -7.853 -1.625 1.00 0.00 C ATOM 951 O VAL A 51 -3.269 -7.517 -0.830 1.00 0.00 O ATOM 952 CB VAL A 51 -0.403 -6.281 -1.957 1.00 0.00 C ATOM 953 CG1 VAL A 51 0.338 -5.358 -2.936 1.00 0.00 C ATOM 954 CG2 VAL A 51 -0.545 -5.526 -0.634 1.00 0.00 C ATOM 0 H VAL A 51 -3.188 -5.418 -1.829 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.581 -7.235 -3.501 1.00 0.00 H new ATOM 0 HB VAL A 51 0.168 -7.195 -1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.280 -5.037 -2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.539 -5.896 -3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.278 -4.485 -3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.439 -5.206 -0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.180 -4.652 -0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.995 -6.181 0.112 1.00 0.00 H new ATOM 964 N PRO A 52 -1.951 -9.124 -1.724 1.00 0.00 N ATOM 965 CA PRO A 52 -2.469 -10.215 -0.907 1.00 0.00 C ATOM 966 C PRO A 52 -2.048 -10.084 0.564 1.00 0.00 C ATOM 967 O PRO A 52 -1.175 -9.288 0.912 1.00 0.00 O ATOM 968 CB PRO A 52 -1.937 -11.497 -1.551 1.00 0.00 C ATOM 969 CG PRO A 52 -0.620 -11.049 -2.176 1.00 0.00 C ATOM 970 CD PRO A 52 -0.934 -9.631 -2.638 1.00 0.00 C ATOM 0 HA PRO A 52 -3.559 -10.210 -0.881 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.786 -12.286 -0.814 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.626 -11.888 -2.300 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.198 -11.068 -1.455 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.327 -11.690 -3.007 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.041 -9.006 -2.613 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.297 -9.627 -3.666 1.00 0.00 H new ATOM 978 N SER A 53 -2.637 -10.923 1.414 1.00 0.00 N ATOM 979 CA SER A 53 -2.416 -10.991 2.853 1.00 0.00 C ATOM 980 C SER A 53 -1.483 -12.151 3.216 1.00 0.00 C ATOM 981 O SER A 53 -0.454 -11.961 3.857 1.00 0.00 O ATOM 982 CB SER A 53 -3.813 -11.124 3.486 1.00 0.00 C ATOM 983 OG SER A 53 -3.863 -11.335 4.876 1.00 0.00 O ATOM 0 H SER A 53 -3.319 -11.611 1.097 1.00 0.00 H new ATOM 0 HA SER A 53 -1.913 -10.101 3.232 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.376 -10.219 3.260 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.329 -11.951 2.998 1.00 0.00 H new ATOM 0 HG SER A 53 -4.798 -11.402 5.163 1.00 0.00 H new ATOM 989 N ASP A 54 -1.755 -13.343 2.704 1.00 0.00 N ATOM 990 CA ASP A 54 -1.002 -14.572 2.988 1.00 0.00 C ATOM 991 C ASP A 54 0.376 -14.656 2.310 1.00 0.00 C ATOM 992 O ASP A 54 0.948 -15.738 2.194 1.00 0.00 O ATOM 993 CB ASP A 54 -1.900 -15.801 2.728 1.00 0.00 C ATOM 994 CG ASP A 54 -3.156 -15.882 3.615 1.00 0.00 C ATOM 995 OD1 ASP A 54 -3.365 -15.025 4.507 1.00 0.00 O ATOM 996 OD2 ASP A 54 -4.003 -16.773 3.370 1.00 0.00 O ATOM 0 H ASP A 54 -2.530 -13.494 2.058 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.741 -14.554 4.046 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.210 -15.792 1.683 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.308 -16.704 2.877 1.00 0.00 H new ATOM 1001 N LEU A 55 0.899 -13.556 1.764 1.00 0.00 N ATOM 1002 CA LEU A 55 2.209 -13.508 1.112 1.00 0.00 C ATOM 1003 C LEU A 55 3.236 -13.035 2.141 1.00 0.00 C ATOM 1004 O LEU A 55 2.975 -12.059 2.848 1.00 0.00 O ATOM 1005 CB LEU A 55 2.152 -12.538 -0.080 1.00 0.00 C ATOM 1006 CG LEU A 55 3.496 -12.351 -0.814 1.00 0.00 C ATOM 1007 CD1 LEU A 55 3.966 -13.642 -1.495 1.00 0.00 C ATOM 1008 CD2 LEU A 55 3.349 -11.250 -1.870 1.00 0.00 C ATOM 0 H LEU A 55 0.415 -12.658 1.763 1.00 0.00 H new ATOM 0 HA LEU A 55 2.491 -14.493 0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.410 -12.900 -0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.807 -11.567 0.274 1.00 0.00 H new ATOM 0 HG LEU A 55 4.243 -12.074 -0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.916 -13.463 -1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.095 -14.423 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.222 -13.960 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.297 -11.116 -2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.579 -11.534 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.066 -10.316 -1.385 1.00 0.00 H new ATOM 1020 N THR A 56 4.397 -13.687 2.234 1.00 0.00 N ATOM 1021 CA THR A 56 5.441 -13.295 3.175 1.00 0.00 C ATOM 1022 C THR A 56 5.946 -11.895 2.786 1.00 0.00 C ATOM 1023 O THR A 56 6.239 -11.633 1.616 1.00 0.00 O ATOM 1024 CB THR A 56 6.568 -14.338 3.214 1.00 0.00 C ATOM 1025 OG1 THR A 56 6.046 -15.639 3.423 1.00 0.00 O ATOM 1026 CG2 THR A 56 7.530 -14.065 4.377 1.00 0.00 C ATOM 0 H THR A 56 4.636 -14.497 1.661 1.00 0.00 H new ATOM 0 HA THR A 56 5.039 -13.251 4.187 1.00 0.00 H new ATOM 0 HB THR A 56 7.084 -14.272 2.256 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.781 -16.287 3.443 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.318 -14.818 4.382 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.973 -13.076 4.258 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.983 -14.107 5.319 1.00 0.00 H new ATOM 1034 N VAL A 57 6.083 -10.994 3.762 1.00 0.00 N ATOM 1035 CA VAL A 57 6.544 -9.620 3.581 1.00 0.00 C ATOM 1036 C VAL A 57 7.873 -9.621 2.825 1.00 0.00 C ATOM 1037 O VAL A 57 8.042 -8.842 1.891 1.00 0.00 O ATOM 1038 CB VAL A 57 6.638 -8.912 4.949 1.00 0.00 C ATOM 1039 CG1 VAL A 57 7.098 -7.455 4.814 1.00 0.00 C ATOM 1040 CG2 VAL A 57 5.290 -8.889 5.670 1.00 0.00 C ATOM 0 H VAL A 57 5.867 -11.212 4.735 1.00 0.00 H new ATOM 0 HA VAL A 57 5.829 -9.058 2.980 1.00 0.00 H new ATOM 0 HB VAL A 57 7.368 -9.487 5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.150 -6.997 5.802 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.083 -7.426 4.349 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.388 -6.905 4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.399 -8.382 6.629 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.560 -8.358 5.059 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.949 -9.911 5.837 1.00 0.00 H new ATOM 1050 N GLY A 58 8.795 -10.528 3.167 1.00 0.00 N ATOM 1051 CA GLY A 58 10.092 -10.647 2.515 1.00 0.00 C ATOM 1052 C GLY A 58 9.990 -10.799 0.990 1.00 0.00 C ATOM 1053 O GLY A 58 10.820 -10.232 0.275 1.00 0.00 O ATOM 0 H GLY A 58 8.654 -11.206 3.915 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.690 -9.766 2.747 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.620 -11.508 2.925 1.00 0.00 H new ATOM 1057 N GLN A 59 9.003 -11.552 0.482 1.00 0.00 N ATOM 1058 CA GLN A 59 8.796 -11.752 -0.953 1.00 0.00 C ATOM 1059 C GLN A 59 8.298 -10.446 -1.564 1.00 0.00 C ATOM 1060 O GLN A 59 8.863 -10.003 -2.560 1.00 0.00 O ATOM 1061 CB GLN A 59 7.774 -12.877 -1.205 1.00 0.00 C ATOM 1062 CG GLN A 59 8.303 -14.266 -0.823 1.00 0.00 C ATOM 1063 CD GLN A 59 9.431 -14.726 -1.746 1.00 0.00 C ATOM 1064 OE1 GLN A 59 10.601 -14.762 -1.365 1.00 0.00 O ATOM 1065 NE2 GLN A 59 9.105 -15.056 -2.985 1.00 0.00 N ATOM 0 H GLN A 59 8.323 -12.041 1.063 1.00 0.00 H new ATOM 0 HA GLN A 59 9.739 -12.044 -1.416 1.00 0.00 H new ATOM 0 HB2 GLN A 59 6.868 -12.671 -0.636 1.00 0.00 H new ATOM 0 HB3 GLN A 59 7.496 -12.878 -2.259 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.663 -14.246 0.206 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.487 -14.987 -0.862 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.130 -15.020 -3.283 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.829 -15.346 -3.643 1.00 0.00 H new ATOM 1074 N PHE A 60 7.314 -9.784 -0.946 1.00 0.00 N ATOM 1075 CA PHE A 60 6.789 -8.514 -1.454 1.00 0.00 C ATOM 1076 C PHE A 60 7.948 -7.508 -1.529 1.00 0.00 C ATOM 1077 O PHE A 60 8.145 -6.840 -2.545 1.00 0.00 O ATOM 1078 CB PHE A 60 5.643 -8.022 -0.547 1.00 0.00 C ATOM 1079 CG PHE A 60 5.458 -6.515 -0.562 1.00 0.00 C ATOM 1080 CD1 PHE A 60 5.068 -5.867 -1.748 1.00 0.00 C ATOM 1081 CD2 PHE A 60 5.782 -5.749 0.576 1.00 0.00 C ATOM 1082 CE1 PHE A 60 5.060 -4.465 -1.814 1.00 0.00 C ATOM 1083 CE2 PHE A 60 5.771 -4.345 0.503 1.00 0.00 C ATOM 1084 CZ PHE A 60 5.461 -3.703 -0.703 1.00 0.00 C ATOM 0 H PHE A 60 6.864 -10.109 -0.090 1.00 0.00 H new ATOM 0 HA PHE A 60 6.372 -8.635 -2.454 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.713 -8.497 -0.861 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.836 -8.345 0.476 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.774 -6.449 -2.609 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.038 -6.240 1.503 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.745 -3.970 -2.721 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.002 -3.759 1.380 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.530 -2.628 -0.779 1.00 0.00 H new ATOM 1094 N TYR A 61 8.749 -7.452 -0.469 1.00 0.00 N ATOM 1095 CA TYR A 61 9.904 -6.587 -0.332 1.00 0.00 C ATOM 1096 C TYR A 61 10.901 -6.879 -1.460 1.00 0.00 C ATOM 1097 O TYR A 61 11.367 -5.953 -2.118 1.00 0.00 O ATOM 1098 CB TYR A 61 10.472 -6.830 1.076 1.00 0.00 C ATOM 1099 CG TYR A 61 11.530 -5.904 1.641 1.00 0.00 C ATOM 1100 CD1 TYR A 61 11.759 -4.617 1.120 1.00 0.00 C ATOM 1101 CD2 TYR A 61 12.194 -6.307 2.814 1.00 0.00 C ATOM 1102 CE1 TYR A 61 12.586 -3.713 1.808 1.00 0.00 C ATOM 1103 CE2 TYR A 61 13.051 -5.424 3.488 1.00 0.00 C ATOM 1104 CZ TYR A 61 13.230 -4.109 3.003 1.00 0.00 C ATOM 1105 OH TYR A 61 13.968 -3.210 3.712 1.00 0.00 O ATOM 0 H TYR A 61 8.599 -8.038 0.353 1.00 0.00 H new ATOM 0 HA TYR A 61 9.655 -5.530 -0.428 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.631 -6.822 1.770 1.00 0.00 H new ATOM 0 HB3 TYR A 61 10.885 -7.839 1.088 1.00 0.00 H new ATOM 0 HD1 TYR A 61 11.298 -4.323 0.189 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.043 -7.305 3.199 1.00 0.00 H new ATOM 0 HE1 TYR A 61 12.730 -2.714 1.423 1.00 0.00 H new ATOM 0 HE2 TYR A 61 13.573 -5.749 4.376 1.00 0.00 H new ATOM 0 HH TYR A 61 14.165 -2.432 3.149 1.00 0.00 H new ATOM 1115 N PHE A 62 11.199 -8.156 -1.737 1.00 0.00 N ATOM 1116 CA PHE A 62 12.124 -8.539 -2.799 1.00 0.00 C ATOM 1117 C PHE A 62 11.598 -8.111 -4.168 1.00 0.00 C ATOM 1118 O PHE A 62 12.378 -7.610 -4.980 1.00 0.00 O ATOM 1119 CB PHE A 62 12.367 -10.057 -2.818 1.00 0.00 C ATOM 1120 CG PHE A 62 13.508 -10.574 -1.963 1.00 0.00 C ATOM 1121 CD1 PHE A 62 14.794 -10.007 -2.076 1.00 0.00 C ATOM 1122 CD2 PHE A 62 13.313 -11.694 -1.133 1.00 0.00 C ATOM 1123 CE1 PHE A 62 15.873 -10.564 -1.371 1.00 0.00 C ATOM 1124 CE2 PHE A 62 14.393 -12.241 -0.420 1.00 0.00 C ATOM 1125 CZ PHE A 62 15.677 -11.690 -0.555 1.00 0.00 C ATOM 0 H PHE A 62 10.803 -8.947 -1.229 1.00 0.00 H new ATOM 0 HA PHE A 62 13.065 -8.029 -2.592 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.450 -10.553 -2.498 1.00 0.00 H new ATOM 0 HB3 PHE A 62 12.550 -10.360 -3.849 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.949 -9.143 -2.706 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.331 -12.134 -1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 62 16.856 -10.125 -1.456 1.00 0.00 H new ATOM 0 HE2 PHE A 62 14.235 -13.087 0.233 1.00 0.00 H new ATOM 0 HZ PHE A 62 16.513 -12.131 -0.032 1.00 0.00 H new ATOM 1135 N LEU A 63 10.301 -8.303 -4.424 1.00 0.00 N ATOM 1136 CA LEU A 63 9.659 -7.956 -5.686 1.00 0.00 C ATOM 1137 C LEU A 63 9.856 -6.472 -5.986 1.00 0.00 C ATOM 1138 O LEU A 63 10.365 -6.123 -7.053 1.00 0.00 O ATOM 1139 CB LEU A 63 8.159 -8.333 -5.651 1.00 0.00 C ATOM 1140 CG LEU A 63 7.789 -9.715 -6.224 1.00 0.00 C ATOM 1141 CD1 LEU A 63 8.157 -9.816 -7.698 1.00 0.00 C ATOM 1142 CD2 LEU A 63 8.407 -10.919 -5.501 1.00 0.00 C ATOM 0 H LEU A 63 9.660 -8.712 -3.744 1.00 0.00 H new ATOM 0 HA LEU A 63 10.124 -8.526 -6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.819 -8.290 -4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.603 -7.574 -6.201 1.00 0.00 H new ATOM 0 HG LEU A 63 6.711 -9.771 -6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.884 -10.802 -8.074 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.620 -9.052 -8.260 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.230 -9.667 -7.816 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.082 -11.840 -5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.494 -10.851 -5.544 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.085 -10.923 -4.460 1.00 0.00 H new ATOM 1154 N ILE A 64 9.499 -5.592 -5.046 1.00 0.00 N ATOM 1155 CA ILE A 64 9.657 -4.154 -5.239 1.00 0.00 C ATOM 1156 C ILE A 64 11.154 -3.827 -5.344 1.00 0.00 C ATOM 1157 O ILE A 64 11.542 -3.105 -6.262 1.00 0.00 O ATOM 1158 CB ILE A 64 8.916 -3.371 -4.138 1.00 0.00 C ATOM 1159 CG1 ILE A 64 7.417 -3.733 -4.027 1.00 0.00 C ATOM 1160 CG2 ILE A 64 9.043 -1.858 -4.369 1.00 0.00 C ATOM 1161 CD1 ILE A 64 6.579 -3.562 -5.301 1.00 0.00 C ATOM 0 H ILE A 64 9.099 -5.854 -4.145 1.00 0.00 H new ATOM 0 HA ILE A 64 9.194 -3.837 -6.173 1.00 0.00 H new ATOM 0 HB ILE A 64 9.395 -3.658 -3.202 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.339 -4.771 -3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.974 -3.120 -3.242 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.513 -1.324 -3.581 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.095 -1.575 -4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 64 8.611 -1.600 -5.336 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.547 -3.847 -5.098 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.612 -2.521 -5.621 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.982 -4.197 -6.090 1.00 0.00 H new ATOM 1173 N ARG A 65 12.023 -4.388 -4.482 1.00 0.00 N ATOM 1174 CA ARG A 65 13.474 -4.139 -4.533 1.00 0.00 C ATOM 1175 C ARG A 65 14.009 -4.455 -5.935 1.00 0.00 C ATOM 1176 O ARG A 65 14.909 -3.771 -6.425 1.00 0.00 O ATOM 1177 CB ARG A 65 14.227 -4.956 -3.468 1.00 0.00 C ATOM 1178 CG ARG A 65 14.061 -4.377 -2.055 1.00 0.00 C ATOM 1179 CD ARG A 65 14.476 -5.380 -0.972 1.00 0.00 C ATOM 1180 NE ARG A 65 15.936 -5.513 -0.836 1.00 0.00 N ATOM 1181 CZ ARG A 65 16.534 -6.354 0.015 1.00 0.00 C ATOM 1182 NH1 ARG A 65 15.853 -7.336 0.597 1.00 0.00 N ATOM 1183 NH2 ARG A 65 17.821 -6.210 0.300 1.00 0.00 N ATOM 0 H ARG A 65 11.740 -5.023 -3.735 1.00 0.00 H new ATOM 0 HA ARG A 65 13.645 -3.085 -4.315 1.00 0.00 H new ATOM 0 HB2 ARG A 65 13.865 -5.984 -3.481 1.00 0.00 H new ATOM 0 HB3 ARG A 65 15.287 -4.988 -3.722 1.00 0.00 H new ATOM 0 HG2 ARG A 65 14.662 -3.472 -1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 65 13.022 -4.087 -1.902 1.00 0.00 H new ATOM 0 HD2 ARG A 65 14.055 -5.068 -0.016 1.00 0.00 H new ATOM 0 HD3 ARG A 65 14.049 -6.355 -1.206 1.00 0.00 H new ATOM 0 HE ARG A 65 16.527 -4.928 -1.427 1.00 0.00 H new ATOM 0 HH11 ARG A 65 14.860 -7.456 0.397 1.00 0.00 H new ATOM 0 HH12 ARG A 65 16.323 -7.969 1.244 1.00 0.00 H new ATOM 0 HH21 ARG A 65 18.357 -5.457 -0.130 1.00 0.00 H new ATOM 0 HH22 ARG A 65 18.275 -6.853 0.949 1.00 0.00 H new ATOM 1197 N LYS A 66 13.513 -5.520 -6.578 1.00 0.00 N ATOM 1198 CA LYS A 66 13.933 -5.880 -7.927 1.00 0.00 C ATOM 1199 C LYS A 66 13.443 -4.830 -8.917 1.00 0.00 C ATOM 1200 O LYS A 66 14.254 -4.303 -9.672 1.00 0.00 O ATOM 1201 CB LYS A 66 13.430 -7.286 -8.314 1.00 0.00 C ATOM 1202 CG LYS A 66 13.856 -7.629 -9.752 1.00 0.00 C ATOM 1203 CD LYS A 66 13.674 -9.113 -10.073 1.00 0.00 C ATOM 1204 CE LYS A 66 14.085 -9.363 -11.530 1.00 0.00 C ATOM 1205 NZ LYS A 66 14.252 -10.799 -11.826 1.00 0.00 N ATOM 0 H LYS A 66 12.816 -6.148 -6.177 1.00 0.00 H new ATOM 0 HA LYS A 66 15.022 -5.908 -7.956 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.832 -8.026 -7.622 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.344 -7.327 -8.230 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.272 -7.034 -10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 66 14.901 -7.354 -9.894 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.280 -9.721 -9.401 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.636 -9.407 -9.919 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.331 -8.942 -12.195 1.00 0.00 H new ATOM 0 HE3 LYS A 66 15.019 -8.841 -11.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.530 -10.918 -12.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.990 -11.197 -11.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.354 -11.295 -11.655 1.00 0.00 H new ATOM 1219 N ARG A 67 12.161 -4.456 -8.871 1.00 0.00 N ATOM 1220 CA ARG A 67 11.601 -3.480 -9.808 1.00 0.00 C ATOM 1221 C ARG A 67 12.248 -2.097 -9.732 1.00 0.00 C ATOM 1222 O ARG A 67 12.334 -1.432 -10.767 1.00 0.00 O ATOM 1223 CB ARG A 67 10.081 -3.373 -9.613 1.00 0.00 C ATOM 1224 CG ARG A 67 9.325 -4.628 -10.069 1.00 0.00 C ATOM 1225 CD ARG A 67 7.821 -4.330 -10.157 1.00 0.00 C ATOM 1226 NE ARG A 67 7.094 -5.363 -10.913 1.00 0.00 N ATOM 1227 CZ ARG A 67 7.042 -5.473 -12.247 1.00 0.00 C ATOM 1228 NH1 ARG A 67 7.794 -4.714 -13.038 1.00 0.00 N ATOM 1229 NH2 ARG A 67 6.238 -6.374 -12.791 1.00 0.00 N ATOM 0 H ARG A 67 11.490 -4.816 -8.192 1.00 0.00 H new ATOM 0 HA ARG A 67 11.826 -3.856 -10.806 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.868 -3.191 -8.560 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.710 -2.511 -10.167 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.697 -4.954 -11.040 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.502 -5.444 -9.369 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.407 -4.259 -9.151 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.671 -3.361 -10.633 1.00 0.00 H new ATOM 0 HE ARG A 67 6.583 -6.059 -10.371 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.430 -4.028 -12.632 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.735 -4.818 -14.051 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.668 -6.974 -12.195 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.189 -6.468 -13.806 1.00 0.00 H new ATOM 1243 N ILE A 68 12.752 -1.675 -8.573 1.00 0.00 N ATOM 1244 CA ILE A 68 13.408 -0.372 -8.410 1.00 0.00 C ATOM 1245 C ILE A 68 14.919 -0.439 -8.707 1.00 0.00 C ATOM 1246 O ILE A 68 15.599 0.574 -8.563 1.00 0.00 O ATOM 1247 CB ILE A 68 13.091 0.231 -7.021 1.00 0.00 C ATOM 1248 CG1 ILE A 68 13.740 -0.592 -5.891 1.00 0.00 C ATOM 1249 CG2 ILE A 68 11.570 0.412 -6.867 1.00 0.00 C ATOM 1250 CD1 ILE A 68 13.276 -0.237 -4.479 1.00 0.00 C ATOM 0 H ILE A 68 12.718 -2.227 -7.716 1.00 0.00 H new ATOM 0 HA ILE A 68 12.996 0.308 -9.156 1.00 0.00 H new ATOM 0 HB ILE A 68 13.536 1.223 -6.942 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.536 -1.648 -6.069 1.00 0.00 H new ATOM 0 HG13 ILE A 68 14.821 -0.463 -5.944 1.00 0.00 H new ATOM 0 HG21 ILE A 68 11.351 0.837 -5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 68 11.203 1.083 -7.644 1.00 0.00 H new ATOM 0 HG23 ILE A 68 11.077 -0.556 -6.961 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.790 -0.871 -3.757 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.506 0.808 -4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.200 -0.395 -4.399 1.00 0.00 H new ATOM 1262 N HIS A 69 15.441 -1.618 -9.082 1.00 0.00 N ATOM 1263 CA HIS A 69 16.832 -1.934 -9.427 1.00 0.00 C ATOM 1264 C HIS A 69 17.870 -1.154 -8.600 1.00 0.00 C ATOM 1265 O HIS A 69 18.728 -0.439 -9.132 1.00 0.00 O ATOM 1266 CB HIS A 69 17.040 -1.771 -10.936 1.00 0.00 C ATOM 1267 CG HIS A 69 16.036 -2.496 -11.797 1.00 0.00 C ATOM 1268 ND1 HIS A 69 16.106 -3.807 -12.211 1.00 0.00 N ATOM 1269 CD2 HIS A 69 14.894 -1.952 -12.319 1.00 0.00 C ATOM 1270 CE1 HIS A 69 15.019 -4.057 -12.957 1.00 0.00 C ATOM 1271 NE2 HIS A 69 14.268 -2.947 -13.092 1.00 0.00 N ATOM 0 H HIS A 69 14.847 -2.444 -9.157 1.00 0.00 H new ATOM 0 HA HIS A 69 17.005 -2.976 -9.159 1.00 0.00 H new ATOM 0 HB2 HIS A 69 17.007 -0.709 -11.180 1.00 0.00 H new ATOM 0 HB3 HIS A 69 18.039 -2.126 -11.191 1.00 0.00 H new ATOM 0 HD2 HIS A 69 14.538 -0.944 -12.166 1.00 0.00 H new ATOM 0 HE1 HIS A 69 14.779 -5.017 -13.390 1.00 0.00 H new ATOM 0 HE2 HIS A 69 13.416 -2.848 -13.644 1.00 0.00 H new ATOM 1279 N LEU A 70 17.769 -1.286 -7.277 1.00 0.00 N ATOM 1280 CA LEU A 70 18.656 -0.624 -6.326 1.00 0.00 C ATOM 1281 C LEU A 70 19.998 -1.332 -6.159 1.00 0.00 C ATOM 1282 O LEU A 70 20.136 -2.514 -6.490 1.00 0.00 O ATOM 1283 CB LEU A 70 17.968 -0.396 -4.970 1.00 0.00 C ATOM 1284 CG LEU A 70 17.282 -1.582 -4.266 1.00 0.00 C ATOM 1285 CD1 LEU A 70 18.174 -2.776 -3.912 1.00 0.00 C ATOM 1286 CD2 LEU A 70 16.694 -1.034 -2.968 1.00 0.00 C ATOM 0 H LEU A 70 17.057 -1.865 -6.831 1.00 0.00 H new ATOM 0 HA LEU A 70 18.880 0.352 -6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 70 18.716 0.003 -4.286 1.00 0.00 H new ATOM 0 HB3 LEU A 70 17.217 0.381 -5.110 1.00 0.00 H new ATOM 0 HG LEU A 70 16.554 -1.978 -4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 70 17.576 -3.544 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 70 18.614 -3.184 -4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 70 18.968 -2.450 -3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 70 16.194 -1.838 -2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.494 -0.624 -2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.974 -0.248 -3.198 1.00 0.00 H new ATOM 1298 N ARG A 71 21.018 -0.588 -5.725 1.00 0.00 N ATOM 1299 CA ARG A 71 22.351 -1.149 -5.481 1.00 0.00 C ATOM 1300 C ARG A 71 22.285 -1.890 -4.134 1.00 0.00 C ATOM 1301 O ARG A 71 21.468 -1.524 -3.290 1.00 0.00 O ATOM 1302 CB ARG A 71 23.438 -0.053 -5.439 1.00 0.00 C ATOM 1303 CG ARG A 71 23.436 0.897 -6.651 1.00 0.00 C ATOM 1304 CD ARG A 71 22.610 2.171 -6.442 1.00 0.00 C ATOM 1305 NE ARG A 71 22.051 2.666 -7.712 1.00 0.00 N ATOM 1306 CZ ARG A 71 22.723 3.320 -8.663 1.00 0.00 C ATOM 1307 NH1 ARG A 71 23.929 3.824 -8.427 1.00 0.00 N ATOM 1308 NH2 ARG A 71 22.187 3.438 -9.870 1.00 0.00 N ATOM 0 H ARG A 71 20.946 0.411 -5.534 1.00 0.00 H new ATOM 0 HA ARG A 71 22.624 -1.823 -6.293 1.00 0.00 H new ATOM 0 HB2 ARG A 71 23.307 0.536 -4.532 1.00 0.00 H new ATOM 0 HB3 ARG A 71 24.415 -0.531 -5.370 1.00 0.00 H new ATOM 0 HG2 ARG A 71 24.464 1.176 -6.883 1.00 0.00 H new ATOM 0 HG3 ARG A 71 23.048 0.363 -7.518 1.00 0.00 H new ATOM 0 HD2 ARG A 71 21.800 1.970 -5.741 1.00 0.00 H new ATOM 0 HD3 ARG A 71 23.236 2.942 -5.994 1.00 0.00 H new ATOM 0 HE ARG A 71 21.060 2.493 -7.880 1.00 0.00 H new ATOM 0 HH11 ARG A 71 24.356 3.714 -7.507 1.00 0.00 H new ATOM 0 HH12 ARG A 71 24.428 4.321 -9.165 1.00 0.00 H new ATOM 0 HH21 ARG A 71 21.272 3.032 -10.063 1.00 0.00 H new ATOM 0 HH22 ARG A 71 22.690 3.935 -10.605 1.00 0.00 H new ATOM 1322 N PRO A 72 23.139 -2.891 -3.867 1.00 0.00 N ATOM 1323 CA PRO A 72 23.112 -3.615 -2.596 1.00 0.00 C ATOM 1324 C PRO A 72 23.698 -2.773 -1.452 1.00 0.00 C ATOM 1325 O PRO A 72 23.454 -3.059 -0.275 1.00 0.00 O ATOM 1326 CB PRO A 72 23.926 -4.887 -2.848 1.00 0.00 C ATOM 1327 CG PRO A 72 24.932 -4.456 -3.914 1.00 0.00 C ATOM 1328 CD PRO A 72 24.156 -3.433 -4.750 1.00 0.00 C ATOM 0 HA PRO A 72 22.095 -3.847 -2.281 1.00 0.00 H new ATOM 0 HB2 PRO A 72 24.424 -5.232 -1.942 1.00 0.00 H new ATOM 0 HB3 PRO A 72 23.296 -5.705 -3.197 1.00 0.00 H new ATOM 0 HG2 PRO A 72 25.824 -4.016 -3.469 1.00 0.00 H new ATOM 0 HG3 PRO A 72 25.262 -5.301 -4.519 1.00 0.00 H new ATOM 0 HD2 PRO A 72 24.816 -2.646 -5.116 1.00 0.00 H new ATOM 0 HD3 PRO A 72 23.705 -3.903 -5.624 1.00 0.00 H new ATOM 1336 N GLU A 73 24.500 -1.763 -1.793 1.00 0.00 N ATOM 1337 CA GLU A 73 25.148 -0.850 -0.865 1.00 0.00 C ATOM 1338 C GLU A 73 24.167 0.215 -0.358 1.00 0.00 C ATOM 1339 O GLU A 73 24.372 0.771 0.726 1.00 0.00 O ATOM 1340 CB GLU A 73 26.336 -0.221 -1.607 1.00 0.00 C ATOM 1341 CG GLU A 73 27.324 0.490 -0.671 1.00 0.00 C ATOM 1342 CD GLU A 73 28.538 1.046 -1.422 1.00 0.00 C ATOM 1343 OE1 GLU A 73 28.983 0.421 -2.413 1.00 0.00 O ATOM 1344 OE2 GLU A 73 29.035 2.125 -1.024 1.00 0.00 O ATOM 0 H GLU A 73 24.722 -1.555 -2.767 1.00 0.00 H new ATOM 0 HA GLU A 73 25.496 -1.383 0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 73 26.864 -0.998 -2.160 1.00 0.00 H new ATOM 0 HB3 GLU A 73 25.961 0.493 -2.340 1.00 0.00 H new ATOM 0 HG2 GLU A 73 26.813 1.304 -0.157 1.00 0.00 H new ATOM 0 HG3 GLU A 73 27.662 -0.208 0.095 1.00 0.00 H new ATOM 1351 N ASP A 74 23.112 0.487 -1.129 1.00 0.00 N ATOM 1352 CA ASP A 74 22.087 1.471 -0.818 1.00 0.00 C ATOM 1353 C ASP A 74 21.157 0.940 0.262 1.00 0.00 C ATOM 1354 O ASP A 74 20.888 -0.263 0.358 1.00 0.00 O ATOM 1355 CB ASP A 74 21.236 1.806 -2.056 1.00 0.00 C ATOM 1356 CG ASP A 74 21.906 2.763 -3.035 1.00 0.00 C ATOM 1357 OD1 ASP A 74 23.143 2.739 -3.182 1.00 0.00 O ATOM 1358 OD2 ASP A 74 21.173 3.531 -3.701 1.00 0.00 O ATOM 0 H ASP A 74 22.947 0.010 -2.015 1.00 0.00 H new ATOM 0 HA ASP A 74 22.599 2.370 -0.475 1.00 0.00 H new ATOM 0 HB2 ASP A 74 20.994 0.880 -2.578 1.00 0.00 H new ATOM 0 HB3 ASP A 74 20.293 2.242 -1.727 1.00 0.00 H new ATOM 1363 N ALA A 75 20.657 1.853 1.085 1.00 0.00 N ATOM 1364 CA ALA A 75 19.733 1.556 2.160 1.00 0.00 C ATOM 1365 C ALA A 75 18.309 1.775 1.641 1.00 0.00 C ATOM 1366 O ALA A 75 18.082 2.522 0.686 1.00 0.00 O ATOM 1367 CB ALA A 75 20.047 2.463 3.349 1.00 0.00 C ATOM 0 H ALA A 75 20.892 2.843 1.018 1.00 0.00 H new ATOM 0 HA ALA A 75 19.828 0.522 2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 75 19.356 2.247 4.164 1.00 0.00 H new ATOM 0 HB2 ALA A 75 21.069 2.285 3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 75 19.940 3.506 3.050 1.00 0.00 H new ATOM 1373 N LEU A 76 17.340 1.100 2.250 1.00 0.00 N ATOM 1374 CA LEU A 76 15.927 1.183 1.914 1.00 0.00 C ATOM 1375 C LEU A 76 15.158 0.612 3.092 1.00 0.00 C ATOM 1376 O LEU A 76 15.453 -0.510 3.512 1.00 0.00 O ATOM 1377 CB LEU A 76 15.610 0.389 0.632 1.00 0.00 C ATOM 1378 CG LEU A 76 14.103 0.298 0.304 1.00 0.00 C ATOM 1379 CD1 LEU A 76 13.410 1.661 0.176 1.00 0.00 C ATOM 1380 CD2 LEU A 76 13.928 -0.425 -1.023 1.00 0.00 C ATOM 0 H LEU A 76 17.526 0.457 3.019 1.00 0.00 H new ATOM 0 HA LEU A 76 15.644 2.218 1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 76 16.126 0.854 -0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 76 16.011 -0.620 0.734 1.00 0.00 H new ATOM 0 HG LEU A 76 13.644 -0.232 1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.355 1.513 -0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 76 13.503 2.206 1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 76 13.879 2.234 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.867 -0.494 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.442 0.128 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 76 14.349 -1.428 -0.949 1.00 0.00 H new ATOM 1392 N PHE A 77 14.187 1.367 3.597 1.00 0.00 N ATOM 1393 CA PHE A 77 13.321 1.014 4.711 1.00 0.00 C ATOM 1394 C PHE A 77 11.897 1.414 4.333 1.00 0.00 C ATOM 1395 O PHE A 77 11.700 2.323 3.524 1.00 0.00 O ATOM 1396 CB PHE A 77 13.793 1.714 5.993 1.00 0.00 C ATOM 1397 CG PHE A 77 15.271 1.521 6.267 1.00 0.00 C ATOM 1398 CD1 PHE A 77 15.766 0.235 6.555 1.00 0.00 C ATOM 1399 CD2 PHE A 77 16.165 2.597 6.112 1.00 0.00 C ATOM 1400 CE1 PHE A 77 17.149 0.020 6.658 1.00 0.00 C ATOM 1401 CE2 PHE A 77 17.547 2.380 6.228 1.00 0.00 C ATOM 1402 CZ PHE A 77 18.042 1.089 6.483 1.00 0.00 C ATOM 0 H PHE A 77 13.974 2.290 3.218 1.00 0.00 H new ATOM 0 HA PHE A 77 13.354 -0.057 4.910 1.00 0.00 H new ATOM 0 HB2 PHE A 77 13.580 2.780 5.917 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.220 1.334 6.839 1.00 0.00 H new ATOM 0 HD1 PHE A 77 15.080 -0.587 6.697 1.00 0.00 H new ATOM 0 HD2 PHE A 77 15.788 3.588 5.904 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.527 -0.969 6.872 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.232 3.208 6.121 1.00 0.00 H new ATOM 0 HZ PHE A 77 19.107 0.920 6.544 1.00 0.00 H new ATOM 1412 N PHE A 78 10.907 0.692 4.853 1.00 0.00 N ATOM 1413 CA PHE A 78 9.489 0.915 4.607 1.00 0.00 C ATOM 1414 C PHE A 78 8.731 0.710 5.910 1.00 0.00 C ATOM 1415 O PHE A 78 8.947 -0.311 6.581 1.00 0.00 O ATOM 1416 CB PHE A 78 8.970 0.022 3.461 1.00 0.00 C ATOM 1417 CG PHE A 78 9.039 -1.503 3.598 1.00 0.00 C ATOM 1418 CD1 PHE A 78 10.193 -2.176 4.056 1.00 0.00 C ATOM 1419 CD2 PHE A 78 7.916 -2.278 3.236 1.00 0.00 C ATOM 1420 CE1 PHE A 78 10.188 -3.567 4.237 1.00 0.00 C ATOM 1421 CE2 PHE A 78 7.920 -3.676 3.404 1.00 0.00 C ATOM 1422 CZ PHE A 78 9.057 -4.322 3.907 1.00 0.00 C ATOM 0 H PHE A 78 11.080 -0.093 5.481 1.00 0.00 H new ATOM 0 HA PHE A 78 9.325 1.939 4.273 1.00 0.00 H new ATOM 0 HB2 PHE A 78 7.927 0.287 3.288 1.00 0.00 H new ATOM 0 HB3 PHE A 78 9.521 0.294 2.561 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.090 -1.613 4.269 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.043 -1.793 2.825 1.00 0.00 H new ATOM 0 HE1 PHE A 78 11.064 -4.059 4.634 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.044 -4.252 3.144 1.00 0.00 H new ATOM 0 HZ PHE A 78 9.060 -5.394 4.039 1.00 0.00 H new ATOM 1432 N PHE A 79 7.798 1.605 6.232 1.00 0.00 N ATOM 1433 CA PHE A 79 6.990 1.590 7.451 1.00 0.00 C ATOM 1434 C PHE A 79 5.516 1.715 7.099 1.00 0.00 C ATOM 1435 O PHE A 79 5.166 2.146 5.997 1.00 0.00 O ATOM 1436 CB PHE A 79 7.487 2.724 8.379 1.00 0.00 C ATOM 1437 CG PHE A 79 9.004 2.902 8.439 1.00 0.00 C ATOM 1438 CD1 PHE A 79 9.834 1.804 8.729 1.00 0.00 C ATOM 1439 CD2 PHE A 79 9.596 4.151 8.162 1.00 0.00 C ATOM 1440 CE1 PHE A 79 11.232 1.949 8.763 1.00 0.00 C ATOM 1441 CE2 PHE A 79 10.995 4.293 8.179 1.00 0.00 C ATOM 1442 CZ PHE A 79 11.814 3.197 8.488 1.00 0.00 C ATOM 0 H PHE A 79 7.575 2.394 5.625 1.00 0.00 H new ATOM 0 HA PHE A 79 7.100 0.645 7.984 1.00 0.00 H new ATOM 0 HB2 PHE A 79 7.040 3.662 8.050 1.00 0.00 H new ATOM 0 HB3 PHE A 79 7.120 2.533 9.387 1.00 0.00 H new ATOM 0 HD1 PHE A 79 9.392 0.839 8.928 1.00 0.00 H new ATOM 0 HD2 PHE A 79 8.972 5.003 7.936 1.00 0.00 H new ATOM 0 HE1 PHE A 79 11.858 1.101 9.000 1.00 0.00 H new ATOM 0 HE2 PHE A 79 11.441 5.250 7.953 1.00 0.00 H new ATOM 0 HZ PHE A 79 12.887 3.312 8.514 1.00 0.00 H new ATOM 1452 N VAL A 80 4.663 1.238 8.007 1.00 0.00 N ATOM 1453 CA VAL A 80 3.218 1.267 7.882 1.00 0.00 C ATOM 1454 C VAL A 80 2.682 1.773 9.215 1.00 0.00 C ATOM 1455 O VAL A 80 3.191 1.357 10.256 1.00 0.00 O ATOM 1456 CB VAL A 80 2.637 -0.079 7.424 1.00 0.00 C ATOM 1457 CG1 VAL A 80 3.310 -0.649 6.182 1.00 0.00 C ATOM 1458 CG2 VAL A 80 2.541 -1.205 8.450 1.00 0.00 C ATOM 0 H VAL A 80 4.977 0.808 8.877 1.00 0.00 H new ATOM 0 HA VAL A 80 2.900 1.943 7.088 1.00 0.00 H new ATOM 0 HB VAL A 80 1.616 0.239 7.215 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.845 -1.600 5.920 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.197 0.050 5.354 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.370 -0.806 6.382 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.112 -2.090 7.980 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.537 -1.440 8.826 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.906 -0.890 9.278 1.00 0.00 H new ATOM 1468 N ASN A 81 1.701 2.685 9.192 1.00 0.00 N ATOM 1469 CA ASN A 81 1.099 3.326 10.373 1.00 0.00 C ATOM 1470 C ASN A 81 2.195 3.707 11.379 1.00 0.00 C ATOM 1471 O ASN A 81 2.178 3.328 12.553 1.00 0.00 O ATOM 1472 CB ASN A 81 -0.055 2.542 11.022 1.00 0.00 C ATOM 1473 CG ASN A 81 -0.772 3.381 12.082 1.00 0.00 C ATOM 1474 OD1 ASN A 81 -0.569 4.590 12.193 1.00 0.00 O ATOM 1475 ND2 ASN A 81 -1.658 2.782 12.854 1.00 0.00 N ATOM 0 H ASN A 81 1.288 3.010 8.318 1.00 0.00 H new ATOM 0 HA ASN A 81 0.614 4.234 10.015 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -0.766 2.237 10.255 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.333 1.631 11.478 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.178 3.321 13.546 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.823 1.780 12.759 1.00 0.00 H new ATOM 1482 N ASN A 82 3.202 4.422 10.866 1.00 0.00 N ATOM 1483 CA ASN A 82 4.373 4.934 11.580 1.00 0.00 C ATOM 1484 C ASN A 82 5.104 3.865 12.406 1.00 0.00 C ATOM 1485 O ASN A 82 5.779 4.201 13.379 1.00 0.00 O ATOM 1486 CB ASN A 82 3.969 6.137 12.459 1.00 0.00 C ATOM 1487 CG ASN A 82 2.966 7.082 11.814 1.00 0.00 C ATOM 1488 OD1 ASN A 82 1.956 7.438 12.423 1.00 0.00 O ATOM 1489 ND2 ASN A 82 3.210 7.517 10.593 1.00 0.00 N ATOM 0 H ASN A 82 3.220 4.674 9.878 1.00 0.00 H new ATOM 0 HA ASN A 82 5.088 5.259 10.824 1.00 0.00 H new ATOM 0 HB2 ASN A 82 3.548 5.763 13.393 1.00 0.00 H new ATOM 0 HB3 ASN A 82 4.866 6.700 12.716 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.558 8.157 10.140 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.051 7.213 10.102 1.00 0.00 H new ATOM 1496 N THR A 83 5.003 2.591 12.030 1.00 0.00 N ATOM 1497 CA THR A 83 5.595 1.459 12.720 1.00 0.00 C ATOM 1498 C THR A 83 6.373 0.612 11.710 1.00 0.00 C ATOM 1499 O THR A 83 6.108 0.656 10.504 1.00 0.00 O ATOM 1500 CB THR A 83 4.439 0.715 13.418 1.00 0.00 C ATOM 1501 OG1 THR A 83 3.760 1.603 14.286 1.00 0.00 O ATOM 1502 CG2 THR A 83 4.896 -0.471 14.261 1.00 0.00 C ATOM 0 H THR A 83 4.482 2.313 11.198 1.00 0.00 H new ATOM 0 HA THR A 83 6.320 1.745 13.482 1.00 0.00 H new ATOM 0 HB THR A 83 3.800 0.342 12.618 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.194 2.206 13.760 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.029 -0.946 14.721 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.410 -1.192 13.626 1.00 0.00 H new ATOM 0 HG23 THR A 83 5.576 -0.124 15.039 1.00 0.00 H new ATOM 1510 N ILE A 84 7.391 -0.109 12.180 1.00 0.00 N ATOM 1511 CA ILE A 84 8.242 -0.964 11.362 1.00 0.00 C ATOM 1512 C ILE A 84 7.618 -2.362 11.443 1.00 0.00 C ATOM 1513 O ILE A 84 7.749 -3.009 12.488 1.00 0.00 O ATOM 1514 CB ILE A 84 9.715 -0.903 11.839 1.00 0.00 C ATOM 1515 CG1 ILE A 84 10.146 0.566 12.057 1.00 0.00 C ATOM 1516 CG2 ILE A 84 10.614 -1.613 10.812 1.00 0.00 C ATOM 1517 CD1 ILE A 84 11.603 0.772 12.477 1.00 0.00 C ATOM 0 H ILE A 84 7.651 -0.113 13.166 1.00 0.00 H new ATOM 0 HA ILE A 84 8.287 -0.641 10.322 1.00 0.00 H new ATOM 0 HB ILE A 84 9.815 -1.417 12.795 1.00 0.00 H new ATOM 0 HG12 ILE A 84 9.971 1.118 11.133 1.00 0.00 H new ATOM 0 HG13 ILE A 84 9.502 1.006 12.818 1.00 0.00 H new ATOM 0 HG21 ILE A 84 11.651 -1.571 11.146 1.00 0.00 H new ATOM 0 HG22 ILE A 84 10.305 -2.654 10.716 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.524 -1.117 9.845 1.00 0.00 H new ATOM 0 HD11 ILE A 84 11.798 1.837 12.602 1.00 0.00 H new ATOM 0 HD12 ILE A 84 11.786 0.256 13.419 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.263 0.370 11.709 1.00 0.00 H new ATOM 1529 N PRO A 85 6.950 -2.851 10.382 1.00 0.00 N ATOM 1530 CA PRO A 85 6.309 -4.161 10.413 1.00 0.00 C ATOM 1531 C PRO A 85 7.299 -5.335 10.447 1.00 0.00 C ATOM 1532 O PRO A 85 8.463 -5.168 10.058 1.00 0.00 O ATOM 1533 CB PRO A 85 5.438 -4.204 9.159 1.00 0.00 C ATOM 1534 CG PRO A 85 6.144 -3.270 8.187 1.00 0.00 C ATOM 1535 CD PRO A 85 6.720 -2.192 9.100 1.00 0.00 C ATOM 0 HA PRO A 85 5.734 -4.279 11.331 1.00 0.00 H new ATOM 0 HB2 PRO A 85 5.365 -5.215 8.759 1.00 0.00 H new ATOM 0 HB3 PRO A 85 4.422 -3.869 9.367 1.00 0.00 H new ATOM 0 HG2 PRO A 85 6.926 -3.785 7.629 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.453 -2.852 7.456 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.647 -1.788 8.694 1.00 0.00 H new ATOM 0 HD3 PRO A 85 6.028 -1.357 9.206 1.00 0.00 H new ATOM 1543 N PRO A 86 6.848 -6.543 10.842 1.00 0.00 N ATOM 1544 CA PRO A 86 7.669 -7.742 10.914 1.00 0.00 C ATOM 1545 C PRO A 86 7.955 -8.265 9.502 1.00 0.00 C ATOM 1546 O PRO A 86 7.163 -9.002 8.917 1.00 0.00 O ATOM 1547 CB PRO A 86 6.876 -8.734 11.774 1.00 0.00 C ATOM 1548 CG PRO A 86 5.422 -8.351 11.505 1.00 0.00 C ATOM 1549 CD PRO A 86 5.502 -6.840 11.325 1.00 0.00 C ATOM 0 HA PRO A 86 8.646 -7.563 11.362 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.079 -9.766 11.488 1.00 0.00 H new ATOM 0 HB3 PRO A 86 7.127 -8.641 12.830 1.00 0.00 H new ATOM 0 HG2 PRO A 86 5.031 -8.845 10.615 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.771 -8.626 12.334 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.751 -6.495 10.614 1.00 0.00 H new ATOM 0 HD3 PRO A 86 5.308 -6.328 12.267 1.00 0.00 H new ATOM 1557 N THR A 87 9.117 -7.924 8.952 1.00 0.00 N ATOM 1558 CA THR A 87 9.562 -8.324 7.616 1.00 0.00 C ATOM 1559 C THR A 87 9.653 -9.844 7.417 1.00 0.00 C ATOM 1560 O THR A 87 9.786 -10.298 6.277 1.00 0.00 O ATOM 1561 CB THR A 87 10.905 -7.634 7.321 1.00 0.00 C ATOM 1562 OG1 THR A 87 11.821 -7.869 8.377 1.00 0.00 O ATOM 1563 CG2 THR A 87 10.730 -6.119 7.158 1.00 0.00 C ATOM 0 H THR A 87 9.799 -7.342 9.438 1.00 0.00 H new ATOM 0 HA THR A 87 8.804 -8.001 6.903 1.00 0.00 H new ATOM 0 HB THR A 87 11.287 -8.053 6.390 1.00 0.00 H new ATOM 0 HG1 THR A 87 12.672 -7.426 8.176 1.00 0.00 H new ATOM 0 HG21 THR A 87 11.697 -5.661 6.950 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.049 -5.918 6.331 1.00 0.00 H new ATOM 0 HG23 THR A 87 10.320 -5.699 8.076 1.00 0.00 H new ATOM 1571 N SER A 88 9.624 -10.628 8.494 1.00 0.00 N ATOM 1572 CA SER A 88 9.697 -12.082 8.464 1.00 0.00 C ATOM 1573 C SER A 88 8.316 -12.749 8.338 1.00 0.00 C ATOM 1574 O SER A 88 8.278 -13.894 7.889 1.00 0.00 O ATOM 1575 CB SER A 88 10.379 -12.542 9.763 1.00 0.00 C ATOM 1576 OG SER A 88 11.577 -11.802 9.982 1.00 0.00 O ATOM 0 H SER A 88 9.547 -10.253 9.440 1.00 0.00 H new ATOM 0 HA SER A 88 10.264 -12.381 7.582 1.00 0.00 H new ATOM 0 HB2 SER A 88 9.701 -12.406 10.605 1.00 0.00 H new ATOM 0 HB3 SER A 88 10.607 -13.606 9.705 1.00 0.00 H new ATOM 0 HG SER A 88 12.000 -12.103 10.813 1.00 0.00 H new ATOM 1582 N ALA A 89 7.235 -12.049 8.719 1.00 0.00 N ATOM 1583 CA ALA A 89 5.843 -12.503 8.705 1.00 0.00 C ATOM 1584 C ALA A 89 5.166 -12.300 7.340 1.00 0.00 C ATOM 1585 O ALA A 89 5.847 -12.085 6.333 1.00 0.00 O ATOM 1586 CB ALA A 89 5.079 -11.736 9.794 1.00 0.00 C ATOM 0 H ALA A 89 7.320 -11.093 9.065 1.00 0.00 H new ATOM 0 HA ALA A 89 5.829 -13.576 8.898 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.038 -12.058 9.803 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.530 -11.938 10.766 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.127 -10.667 9.587 1.00 0.00 H new ATOM 1592 N THR A 90 3.830 -12.367 7.293 1.00 0.00 N ATOM 1593 CA THR A 90 3.020 -12.179 6.096 1.00 0.00 C ATOM 1594 C THR A 90 2.417 -10.771 6.064 1.00 0.00 C ATOM 1595 O THR A 90 2.377 -10.053 7.068 1.00 0.00 O ATOM 1596 CB THR A 90 1.912 -13.252 5.993 1.00 0.00 C ATOM 1597 OG1 THR A 90 1.075 -13.251 7.139 1.00 0.00 O ATOM 1598 CG2 THR A 90 2.466 -14.661 5.777 1.00 0.00 C ATOM 0 H THR A 90 3.268 -12.561 8.122 1.00 0.00 H new ATOM 0 HA THR A 90 3.674 -12.292 5.231 1.00 0.00 H new ATOM 0 HB THR A 90 1.326 -12.981 5.115 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.385 -13.940 7.041 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.641 -15.370 5.713 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.041 -14.688 4.851 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.112 -14.930 6.613 1.00 0.00 H new ATOM 1606 N MET A 91 1.939 -10.367 4.886 1.00 0.00 N ATOM 1607 CA MET A 91 1.298 -9.079 4.649 1.00 0.00 C ATOM 1608 C MET A 91 0.037 -8.950 5.515 1.00 0.00 C ATOM 1609 O MET A 91 -0.398 -7.839 5.840 1.00 0.00 O ATOM 1610 CB MET A 91 0.919 -8.987 3.161 1.00 0.00 C ATOM 1611 CG MET A 91 2.130 -8.765 2.245 1.00 0.00 C ATOM 1612 SD MET A 91 3.090 -7.250 2.542 1.00 0.00 S ATOM 1613 CE MET A 91 1.784 -6.002 2.383 1.00 0.00 C ATOM 0 H MET A 91 1.990 -10.946 4.048 1.00 0.00 H new ATOM 0 HA MET A 91 1.983 -8.273 4.911 1.00 0.00 H new ATOM 0 HB2 MET A 91 0.410 -9.904 2.864 1.00 0.00 H new ATOM 0 HB3 MET A 91 0.211 -8.170 3.022 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.798 -9.620 2.346 1.00 0.00 H new ATOM 0 HG3 MET A 91 1.782 -8.754 1.212 1.00 0.00 H new ATOM 0 HE1 MET A 91 2.223 -5.052 2.078 1.00 0.00 H new ATOM 0 HE2 MET A 91 1.061 -6.325 1.633 1.00 0.00 H new ATOM 0 HE3 MET A 91 1.281 -5.878 3.342 1.00 0.00 H new ATOM 1623 N GLY A 92 -0.553 -10.087 5.878 1.00 0.00 N ATOM 1624 CA GLY A 92 -1.734 -10.213 6.691 1.00 0.00 C ATOM 1625 C GLY A 92 -1.490 -9.636 8.078 1.00 0.00 C ATOM 1626 O GLY A 92 -2.281 -8.819 8.538 1.00 0.00 O ATOM 0 H GLY A 92 -0.187 -10.994 5.588 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.567 -9.694 6.216 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.017 -11.263 6.772 1.00 0.00 H new ATOM 1630 N GLN A 93 -0.369 -10.015 8.704 1.00 0.00 N ATOM 1631 CA GLN A 93 0.006 -9.579 10.043 1.00 0.00 C ATOM 1632 C GLN A 93 0.136 -8.068 10.150 1.00 0.00 C ATOM 1633 O GLN A 93 -0.450 -7.489 11.059 1.00 0.00 O ATOM 1634 CB GLN A 93 1.306 -10.266 10.504 1.00 0.00 C ATOM 1635 CG GLN A 93 1.090 -11.703 11.005 1.00 0.00 C ATOM 1636 CD GLN A 93 0.238 -11.731 12.275 1.00 0.00 C ATOM 1637 OE1 GLN A 93 0.708 -11.467 13.376 1.00 0.00 O ATOM 1638 NE2 GLN A 93 -1.046 -12.025 12.161 1.00 0.00 N ATOM 0 H GLN A 93 0.312 -10.646 8.281 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.805 -9.879 10.706 1.00 0.00 H new ATOM 0 HB2 GLN A 93 2.015 -10.280 9.676 1.00 0.00 H new ATOM 0 HB3 GLN A 93 1.758 -9.675 11.301 1.00 0.00 H new ATOM 0 HG2 GLN A 93 0.605 -12.292 10.227 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.055 -12.170 11.202 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.440 -12.245 11.246 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.643 -12.032 12.988 1.00 0.00 H new ATOM 1647 N LEU A 94 0.892 -7.416 9.263 1.00 0.00 N ATOM 1648 CA LEU A 94 1.030 -5.963 9.357 1.00 0.00 C ATOM 1649 C LEU A 94 -0.306 -5.275 9.068 1.00 0.00 C ATOM 1650 O LEU A 94 -0.656 -4.327 9.766 1.00 0.00 O ATOM 1651 CB LEU A 94 2.225 -5.450 8.544 1.00 0.00 C ATOM 1652 CG LEU A 94 2.154 -5.660 7.023 1.00 0.00 C ATOM 1653 CD1 LEU A 94 1.640 -4.415 6.303 1.00 0.00 C ATOM 1654 CD2 LEU A 94 3.538 -5.972 6.455 1.00 0.00 C ATOM 0 H LEU A 94 1.402 -7.854 8.496 1.00 0.00 H new ATOM 0 HA LEU A 94 1.277 -5.689 10.383 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.338 -4.383 8.737 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.126 -5.938 8.915 1.00 0.00 H new ATOM 0 HG LEU A 94 1.469 -6.492 6.860 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.604 -4.604 5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.640 -4.174 6.662 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.309 -3.578 6.502 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.465 -6.117 5.377 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.213 -5.142 6.664 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.925 -6.880 6.918 1.00 0.00 H new ATOM 1666 N TYR A 95 -1.079 -5.742 8.074 1.00 0.00 N ATOM 1667 CA TYR A 95 -2.372 -5.123 7.795 1.00 0.00 C ATOM 1668 C TYR A 95 -3.273 -5.242 9.026 1.00 0.00 C ATOM 1669 O TYR A 95 -3.962 -4.283 9.361 1.00 0.00 O ATOM 1670 CB TYR A 95 -3.067 -5.790 6.600 1.00 0.00 C ATOM 1671 CG TYR A 95 -4.542 -5.438 6.424 1.00 0.00 C ATOM 1672 CD1 TYR A 95 -5.531 -6.176 7.109 1.00 0.00 C ATOM 1673 CD2 TYR A 95 -4.934 -4.379 5.584 1.00 0.00 C ATOM 1674 CE1 TYR A 95 -6.895 -5.885 6.932 1.00 0.00 C ATOM 1675 CE2 TYR A 95 -6.295 -4.067 5.415 1.00 0.00 C ATOM 1676 CZ TYR A 95 -7.282 -4.831 6.075 1.00 0.00 C ATOM 1677 OH TYR A 95 -8.596 -4.566 5.852 1.00 0.00 O ATOM 0 H TYR A 95 -0.835 -6.525 7.468 1.00 0.00 H new ATOM 0 HA TYR A 95 -2.197 -4.075 7.552 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.534 -5.514 5.690 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.979 -6.871 6.706 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.237 -6.973 7.776 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.184 -3.801 5.065 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.644 -6.465 7.450 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.585 -3.243 4.780 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.119 -4.814 6.643 1.00 0.00 H new ATOM 1687 N GLU A 96 -3.293 -6.403 9.667 1.00 0.00 N ATOM 1688 CA GLU A 96 -4.104 -6.711 10.827 1.00 0.00 C ATOM 1689 C GLU A 96 -3.701 -5.979 12.103 1.00 0.00 C ATOM 1690 O GLU A 96 -4.560 -5.396 12.766 1.00 0.00 O ATOM 1691 CB GLU A 96 -4.027 -8.229 11.026 1.00 0.00 C ATOM 1692 CG GLU A 96 -4.851 -8.708 12.221 1.00 0.00 C ATOM 1693 CD GLU A 96 -5.138 -10.203 12.150 1.00 0.00 C ATOM 1694 OE1 GLU A 96 -5.612 -10.698 11.103 1.00 0.00 O ATOM 1695 OE2 GLU A 96 -5.025 -10.871 13.201 1.00 0.00 O ATOM 0 H GLU A 96 -2.715 -7.190 9.374 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.120 -6.365 10.635 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.379 -8.728 10.123 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -2.986 -8.521 11.167 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.316 -8.484 13.144 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.792 -8.159 12.257 1.00 0.00 H new ATOM 1702 N ASP A 97 -2.417 -5.982 12.438 1.00 0.00 N ATOM 1703 CA ASP A 97 -1.897 -5.349 13.650 1.00 0.00 C ATOM 1704 C ASP A 97 -1.996 -3.829 13.581 1.00 0.00 C ATOM 1705 O ASP A 97 -2.231 -3.178 14.591 1.00 0.00 O ATOM 1706 CB ASP A 97 -0.454 -5.806 13.881 1.00 0.00 C ATOM 1707 CG ASP A 97 -0.044 -5.769 15.351 1.00 0.00 C ATOM 1708 OD1 ASP A 97 -0.562 -6.614 16.123 1.00 0.00 O ATOM 1709 OD2 ASP A 97 0.922 -5.051 15.691 1.00 0.00 O ATOM 0 H ASP A 97 -1.696 -6.429 11.871 1.00 0.00 H new ATOM 0 HA ASP A 97 -2.509 -5.660 14.497 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -0.335 -6.821 13.502 1.00 0.00 H new ATOM 0 HB3 ASP A 97 0.219 -5.170 13.306 1.00 0.00 H new ATOM 1714 N ASN A 98 -1.928 -3.266 12.373 1.00 0.00 N ATOM 1715 CA ASN A 98 -1.996 -1.830 12.099 1.00 0.00 C ATOM 1716 C ASN A 98 -3.344 -1.396 11.509 1.00 0.00 C ATOM 1717 O ASN A 98 -3.447 -0.260 11.039 1.00 0.00 O ATOM 1718 CB ASN A 98 -0.802 -1.370 11.247 1.00 0.00 C ATOM 1719 CG ASN A 98 0.541 -1.651 11.906 1.00 0.00 C ATOM 1720 OD1 ASN A 98 1.381 -2.361 11.362 1.00 0.00 O ATOM 1721 ND2 ASN A 98 0.789 -1.101 13.082 1.00 0.00 N ATOM 0 H ASN A 98 -1.820 -3.821 11.524 1.00 0.00 H new ATOM 0 HA ASN A 98 -1.925 -1.320 13.060 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -0.838 -1.871 10.280 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -0.890 -0.301 11.055 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.684 -1.266 13.544 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.086 -0.512 13.528 1.00 0.00 H new ATOM 1728 N HIS A 99 -4.313 -2.308 11.366 1.00 0.00 N ATOM 1729 CA HIS A 99 -5.641 -2.080 10.788 1.00 0.00 C ATOM 1730 C HIS A 99 -6.340 -0.776 11.174 1.00 0.00 C ATOM 1731 O HIS A 99 -6.066 -0.175 12.210 1.00 0.00 O ATOM 1732 CB HIS A 99 -6.584 -3.272 11.036 1.00 0.00 C ATOM 1733 CG HIS A 99 -7.177 -3.375 12.426 1.00 0.00 C ATOM 1734 ND1 HIS A 99 -8.481 -3.718 12.729 1.00 0.00 N ATOM 1735 CD2 HIS A 99 -6.527 -3.158 13.612 1.00 0.00 C ATOM 1736 CE1 HIS A 99 -8.605 -3.721 14.067 1.00 0.00 C ATOM 1737 NE2 HIS A 99 -7.445 -3.373 14.647 1.00 0.00 N ATOM 0 H HIS A 99 -4.184 -3.274 11.666 1.00 0.00 H new ATOM 0 HA HIS A 99 -5.425 -1.979 9.724 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -7.402 -3.218 10.317 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.037 -4.191 10.827 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.492 -2.872 13.728 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -9.511 -3.969 14.601 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.267 -3.283 15.647 1.00 0.00 H new ATOM 1745 N GLU A 100 -7.243 -0.342 10.299 1.00 0.00 N ATOM 1746 CA GLU A 100 -8.058 0.853 10.430 1.00 0.00 C ATOM 1747 C GLU A 100 -9.522 0.445 10.307 1.00 0.00 C ATOM 1748 O GLU A 100 -9.845 -0.635 9.799 1.00 0.00 O ATOM 1749 CB GLU A 100 -7.708 1.857 9.316 1.00 0.00 C ATOM 1750 CG GLU A 100 -6.292 2.431 9.427 1.00 0.00 C ATOM 1751 CD GLU A 100 -6.039 3.208 10.722 1.00 0.00 C ATOM 1752 OE1 GLU A 100 -6.985 3.750 11.331 1.00 0.00 O ATOM 1753 OE2 GLU A 100 -4.851 3.346 11.093 1.00 0.00 O ATOM 0 H GLU A 100 -7.433 -0.846 9.433 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.873 1.326 11.394 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.817 1.366 8.349 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.426 2.677 9.339 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -5.573 1.615 9.358 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -6.109 3.090 8.578 1.00 0.00 H new ATOM 1760 N GLU A 101 -10.418 1.373 10.631 1.00 0.00 N ATOM 1761 CA GLU A 101 -11.854 1.140 10.564 1.00 0.00 C ATOM 1762 C GLU A 101 -12.334 1.135 9.109 1.00 0.00 C ATOM 1763 O GLU A 101 -13.382 0.560 8.817 1.00 0.00 O ATOM 1764 CB GLU A 101 -12.560 2.308 11.272 1.00 0.00 C ATOM 1765 CG GLU A 101 -12.664 2.164 12.795 1.00 0.00 C ATOM 1766 CD GLU A 101 -11.316 2.120 13.512 1.00 0.00 C ATOM 1767 OE1 GLU A 101 -10.537 3.098 13.419 1.00 0.00 O ATOM 1768 OE2 GLU A 101 -11.083 1.125 14.241 1.00 0.00 O ATOM 0 H GLU A 101 -10.166 2.309 10.948 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.078 0.180 11.028 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.026 3.230 11.043 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.564 2.411 10.861 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.246 2.997 13.189 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -13.216 1.253 13.026 1.00 0.00 H new ATOM 1775 N ASP A 102 -11.539 1.722 8.213 1.00 0.00 N ATOM 1776 CA ASP A 102 -11.775 1.874 6.782 1.00 0.00 C ATOM 1777 C ASP A 102 -11.222 0.717 5.949 1.00 0.00 C ATOM 1778 O ASP A 102 -11.430 0.705 4.741 1.00 0.00 O ATOM 1779 CB ASP A 102 -11.165 3.205 6.310 1.00 0.00 C ATOM 1780 CG ASP A 102 -11.858 4.396 6.964 1.00 0.00 C ATOM 1781 OD1 ASP A 102 -11.552 4.693 8.142 1.00 0.00 O ATOM 1782 OD2 ASP A 102 -12.757 4.991 6.341 1.00 0.00 O ATOM 0 H ASP A 102 -10.648 2.133 8.492 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.854 1.869 6.630 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.102 3.225 6.548 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -11.250 3.282 5.226 1.00 0.00 H new ATOM 1787 N TYR A 103 -10.547 -0.264 6.563 1.00 0.00 N ATOM 1788 CA TYR A 103 -9.958 -1.432 5.891 1.00 0.00 C ATOM 1789 C TYR A 103 -8.974 -1.001 4.791 1.00 0.00 C ATOM 1790 O TYR A 103 -9.090 -1.393 3.627 1.00 0.00 O ATOM 1791 CB TYR A 103 -11.055 -2.395 5.380 1.00 0.00 C ATOM 1792 CG TYR A 103 -11.902 -3.126 6.411 1.00 0.00 C ATOM 1793 CD1 TYR A 103 -11.763 -2.898 7.795 1.00 0.00 C ATOM 1794 CD2 TYR A 103 -12.828 -4.091 5.963 1.00 0.00 C ATOM 1795 CE1 TYR A 103 -12.554 -3.600 8.711 1.00 0.00 C ATOM 1796 CE2 TYR A 103 -13.623 -4.813 6.872 1.00 0.00 C ATOM 1797 CZ TYR A 103 -13.495 -4.548 8.260 1.00 0.00 C ATOM 1798 OH TYR A 103 -14.226 -5.203 9.198 1.00 0.00 O ATOM 0 H TYR A 103 -10.391 -0.268 7.571 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.375 -1.993 6.622 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -11.728 -1.825 4.739 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.575 -3.144 4.751 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -11.042 -2.177 8.150 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -12.929 -4.279 4.904 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -12.443 -3.415 9.769 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -14.320 -5.558 6.518 1.00 0.00 H new ATOM 0 HH TYR A 103 -14.839 -5.828 8.757 1.00 0.00 H new ATOM 1808 N PHE A 104 -7.988 -0.186 5.172 1.00 0.00 N ATOM 1809 CA PHE A 104 -6.949 0.356 4.302 1.00 0.00 C ATOM 1810 C PHE A 104 -5.578 0.304 4.980 1.00 0.00 C ATOM 1811 O PHE A 104 -5.507 0.376 6.211 1.00 0.00 O ATOM 1812 CB PHE A 104 -7.326 1.800 3.950 1.00 0.00 C ATOM 1813 CG PHE A 104 -7.809 1.965 2.529 1.00 0.00 C ATOM 1814 CD1 PHE A 104 -6.872 2.125 1.492 1.00 0.00 C ATOM 1815 CD2 PHE A 104 -9.186 1.970 2.243 1.00 0.00 C ATOM 1816 CE1 PHE A 104 -7.319 2.332 0.178 1.00 0.00 C ATOM 1817 CE2 PHE A 104 -9.630 2.187 0.929 1.00 0.00 C ATOM 1818 CZ PHE A 104 -8.694 2.380 -0.099 1.00 0.00 C ATOM 0 H PHE A 104 -7.890 0.126 6.138 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.880 -0.245 3.395 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.105 2.141 4.632 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.460 2.443 4.108 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.814 2.089 1.706 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -9.902 1.807 3.035 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.604 2.455 -0.622 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -10.687 2.205 0.710 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.033 2.566 -1.107 1.00 0.00 H new ATOM 1828 N LEU A 105 -4.500 0.230 4.183 1.00 0.00 N ATOM 1829 CA LEU A 105 -3.115 0.165 4.671 1.00 0.00 C ATOM 1830 C LEU A 105 -2.271 1.293 4.041 1.00 0.00 C ATOM 1831 O LEU A 105 -2.240 1.399 2.814 1.00 0.00 O ATOM 1832 CB LEU A 105 -2.548 -1.214 4.249 1.00 0.00 C ATOM 1833 CG LEU A 105 -1.711 -2.032 5.239 1.00 0.00 C ATOM 1834 CD1 LEU A 105 -1.199 -3.277 4.498 1.00 0.00 C ATOM 1835 CD2 LEU A 105 -0.536 -1.226 5.784 1.00 0.00 C ATOM 0 H LEU A 105 -4.569 0.213 3.165 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.084 0.288 5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.393 -1.834 3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.937 -1.055 3.361 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.328 -2.311 6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.598 -3.883 5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.047 -3.863 4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.589 -2.970 3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.033 -1.840 6.482 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.109 -0.920 4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.910 -0.341 6.300 1.00 0.00 H new ATOM 1847 N TYR A 106 -1.548 2.099 4.825 1.00 0.00 N ATOM 1848 CA TYR A 106 -0.685 3.188 4.349 1.00 0.00 C ATOM 1849 C TYR A 106 0.769 2.743 4.500 1.00 0.00 C ATOM 1850 O TYR A 106 1.217 2.535 5.626 1.00 0.00 O ATOM 1851 CB TYR A 106 -0.918 4.486 5.159 1.00 0.00 C ATOM 1852 CG TYR A 106 0.111 5.606 4.949 1.00 0.00 C ATOM 1853 CD1 TYR A 106 0.072 6.429 3.807 1.00 0.00 C ATOM 1854 CD2 TYR A 106 1.120 5.832 5.908 1.00 0.00 C ATOM 1855 CE1 TYR A 106 1.032 7.444 3.610 1.00 0.00 C ATOM 1856 CE2 TYR A 106 2.086 6.843 5.723 1.00 0.00 C ATOM 1857 CZ TYR A 106 2.051 7.657 4.568 1.00 0.00 C ATOM 1858 OH TYR A 106 2.977 8.639 4.358 1.00 0.00 O ATOM 0 H TYR A 106 -1.546 2.010 5.841 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.920 3.402 3.306 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.905 4.875 4.908 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -0.936 4.231 6.219 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.704 6.281 3.071 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.154 5.221 6.798 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.989 8.061 2.724 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.855 6.996 6.466 1.00 0.00 H new ATOM 0 HH TYR A 106 3.608 8.659 5.107 1.00 0.00 H new ATOM 1868 N VAL A 107 1.508 2.581 3.397 1.00 0.00 N ATOM 1869 CA VAL A 107 2.919 2.198 3.423 1.00 0.00 C ATOM 1870 C VAL A 107 3.705 3.285 2.708 1.00 0.00 C ATOM 1871 O VAL A 107 3.282 3.799 1.666 1.00 0.00 O ATOM 1872 CB VAL A 107 3.187 0.782 2.852 1.00 0.00 C ATOM 1873 CG1 VAL A 107 2.752 0.586 1.400 1.00 0.00 C ATOM 1874 CG2 VAL A 107 4.675 0.391 2.926 1.00 0.00 C ATOM 0 H VAL A 107 1.139 2.714 2.456 1.00 0.00 H new ATOM 0 HA VAL A 107 3.251 2.121 4.458 1.00 0.00 H new ATOM 0 HB VAL A 107 2.577 0.145 3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.979 -0.433 1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.680 0.762 1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.287 1.289 0.762 1.00 0.00 H new ATOM 0 HG21 VAL A 107 4.809 -0.609 2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.267 1.103 2.351 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.003 0.402 3.965 1.00 0.00 H new ATOM 1884 N ALA A 108 4.843 3.659 3.275 1.00 0.00 N ATOM 1885 CA ALA A 108 5.727 4.657 2.712 1.00 0.00 C ATOM 1886 C ALA A 108 7.130 4.057 2.687 1.00 0.00 C ATOM 1887 O ALA A 108 7.414 3.123 3.444 1.00 0.00 O ATOM 1888 CB ALA A 108 5.598 6.001 3.439 1.00 0.00 C ATOM 0 H ALA A 108 5.180 3.268 4.155 1.00 0.00 H new ATOM 0 HA ALA A 108 5.455 4.907 1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.277 6.725 2.988 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.573 6.363 3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.852 5.871 4.491 1.00 0.00 H new ATOM 1894 N TYR A 109 7.971 4.522 1.760 1.00 0.00 N ATOM 1895 CA TYR A 109 9.346 4.008 1.648 1.00 0.00 C ATOM 1896 C TYR A 109 10.368 5.144 1.627 1.00 0.00 C ATOM 1897 O TYR A 109 10.068 6.217 1.092 1.00 0.00 O ATOM 1898 CB TYR A 109 9.453 3.061 0.451 1.00 0.00 C ATOM 1899 CG TYR A 109 9.226 3.708 -0.899 1.00 0.00 C ATOM 1900 CD1 TYR A 109 7.917 3.982 -1.343 1.00 0.00 C ATOM 1901 CD2 TYR A 109 10.328 4.075 -1.692 1.00 0.00 C ATOM 1902 CE1 TYR A 109 7.708 4.656 -2.558 1.00 0.00 C ATOM 1903 CE2 TYR A 109 10.124 4.735 -2.914 1.00 0.00 C ATOM 1904 CZ TYR A 109 8.817 5.042 -3.342 1.00 0.00 C ATOM 1905 OH TYR A 109 8.633 5.707 -4.509 1.00 0.00 O ATOM 0 H TYR A 109 7.732 5.245 1.081 1.00 0.00 H new ATOM 0 HA TYR A 109 9.587 3.424 2.536 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.442 2.604 0.456 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.729 2.256 0.578 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.071 3.673 -0.747 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.331 3.849 -1.361 1.00 0.00 H new ATOM 0 HE1 TYR A 109 6.705 4.878 -2.890 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.970 5.008 -3.527 1.00 0.00 H new ATOM 0 HH TYR A 109 9.385 5.526 -5.111 1.00 0.00 H new ATOM 1915 N SER A 110 11.585 4.894 2.132 1.00 0.00 N ATOM 1916 CA SER A 110 12.664 5.874 2.229 1.00 0.00 C ATOM 1917 C SER A 110 14.061 5.223 2.253 1.00 0.00 C ATOM 1918 O SER A 110 14.178 4.015 2.441 1.00 0.00 O ATOM 1919 CB SER A 110 12.407 6.642 3.533 1.00 0.00 C ATOM 1920 OG SER A 110 12.816 7.990 3.461 1.00 0.00 O ATOM 0 H SER A 110 11.848 3.977 2.493 1.00 0.00 H new ATOM 0 HA SER A 110 12.664 6.524 1.354 1.00 0.00 H new ATOM 0 HB2 SER A 110 11.344 6.601 3.770 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.935 6.150 4.350 1.00 0.00 H new ATOM 0 HG SER A 110 12.630 8.434 4.314 1.00 0.00 H new ATOM 1926 N ASP A 111 15.115 5.997 1.965 1.00 0.00 N ATOM 1927 CA ASP A 111 16.538 5.591 1.954 1.00 0.00 C ATOM 1928 C ASP A 111 17.116 5.639 3.372 1.00 0.00 C ATOM 1929 O ASP A 111 18.020 4.891 3.741 1.00 0.00 O ATOM 1930 CB ASP A 111 17.340 6.593 1.100 1.00 0.00 C ATOM 1931 CG ASP A 111 18.851 6.535 1.309 1.00 0.00 C ATOM 1932 OD1 ASP A 111 19.489 5.620 0.749 1.00 0.00 O ATOM 1933 OD2 ASP A 111 19.413 7.487 1.900 1.00 0.00 O ATOM 0 H ASP A 111 14.998 6.980 1.719 1.00 0.00 H new ATOM 0 HA ASP A 111 16.606 4.580 1.553 1.00 0.00 H new ATOM 0 HB2 ASP A 111 17.124 6.409 0.048 1.00 0.00 H new ATOM 0 HB3 ASP A 111 16.993 7.602 1.325 1.00 0.00 H new ATOM 1938 N GLU A 112 16.555 6.526 4.177 1.00 0.00 N ATOM 1939 CA GLU A 112 16.917 6.792 5.556 1.00 0.00 C ATOM 1940 C GLU A 112 15.685 6.646 6.443 1.00 0.00 C ATOM 1941 O GLU A 112 14.557 6.799 5.970 1.00 0.00 O ATOM 1942 CB GLU A 112 17.510 8.206 5.572 1.00 0.00 C ATOM 1943 CG GLU A 112 17.823 8.799 6.944 1.00 0.00 C ATOM 1944 CD GLU A 112 18.529 10.137 6.749 1.00 0.00 C ATOM 1945 OE1 GLU A 112 17.871 11.154 6.429 1.00 0.00 O ATOM 1946 OE2 GLU A 112 19.774 10.181 6.857 1.00 0.00 O ATOM 0 H GLU A 112 15.785 7.117 3.863 1.00 0.00 H new ATOM 0 HA GLU A 112 17.651 6.088 5.949 1.00 0.00 H new ATOM 0 HB2 GLU A 112 18.429 8.197 4.987 1.00 0.00 H new ATOM 0 HB3 GLU A 112 16.815 8.873 5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 112 16.905 8.936 7.515 1.00 0.00 H new ATOM 0 HG3 GLU A 112 18.455 8.118 7.515 1.00 0.00 H new ATOM 1953 N SER A 113 15.885 6.319 7.723 1.00 0.00 N ATOM 1954 CA SER A 113 14.787 6.175 8.665 1.00 0.00 C ATOM 1955 C SER A 113 14.237 7.590 8.898 1.00 0.00 C ATOM 1956 O SER A 113 14.847 8.414 9.587 1.00 0.00 O ATOM 1957 CB SER A 113 15.261 5.452 9.936 1.00 0.00 C ATOM 1958 OG SER A 113 14.218 4.702 10.546 1.00 0.00 O ATOM 0 H SER A 113 16.806 6.149 8.126 1.00 0.00 H new ATOM 0 HA SER A 113 13.981 5.546 8.287 1.00 0.00 H new ATOM 0 HB2 SER A 113 16.087 4.786 9.687 1.00 0.00 H new ATOM 0 HB3 SER A 113 15.644 6.184 10.647 1.00 0.00 H new ATOM 0 HG SER A 113 14.561 4.257 11.349 1.00 0.00 H new ATOM 2086 N GLU B 730 -14.151 -1.188 -6.347 1.00 0.00 N ATOM 2087 CA GLU B 730 -13.140 -0.267 -6.846 1.00 0.00 C ATOM 2088 C GLU B 730 -11.946 -1.053 -7.397 1.00 0.00 C ATOM 2089 O GLU B 730 -11.646 -2.138 -6.891 1.00 0.00 O ATOM 2090 CB GLU B 730 -12.696 0.628 -5.688 1.00 0.00 C ATOM 2091 CG GLU B 730 -12.032 1.920 -6.162 1.00 0.00 C ATOM 2092 CD GLU B 730 -13.010 2.896 -6.806 1.00 0.00 C ATOM 2093 OE1 GLU B 730 -13.625 3.706 -6.073 1.00 0.00 O ATOM 2094 OE2 GLU B 730 -13.174 2.837 -8.044 1.00 0.00 O ATOM 0 HA GLU B 730 -13.548 0.343 -7.652 1.00 0.00 H new ATOM 0 HB2 GLU B 730 -13.561 0.874 -5.072 1.00 0.00 H new ATOM 0 HB3 GLU B 730 -12.000 0.078 -5.055 1.00 0.00 H new ATOM 0 HG2 GLU B 730 -11.550 2.406 -5.314 1.00 0.00 H new ATOM 0 HG3 GLU B 730 -11.247 1.676 -6.878 1.00 0.00 H new ATOM 2101 N ASP B 731 -11.240 -0.526 -8.397 1.00 0.00 N ATOM 2102 CA ASP B 731 -10.083 -1.175 -9.012 1.00 0.00 C ATOM 2103 C ASP B 731 -8.860 -0.294 -8.780 1.00 0.00 C ATOM 2104 O ASP B 731 -8.902 0.912 -9.033 1.00 0.00 O ATOM 2105 CB ASP B 731 -10.301 -1.398 -10.516 1.00 0.00 C ATOM 2106 CG ASP B 731 -11.359 -2.454 -10.854 1.00 0.00 C ATOM 2107 OD1 ASP B 731 -11.421 -3.537 -10.225 1.00 0.00 O ATOM 2108 OD2 ASP B 731 -12.169 -2.199 -11.776 1.00 0.00 O ATOM 0 H ASP B 731 -11.460 0.380 -8.810 1.00 0.00 H new ATOM 0 HA ASP B 731 -9.936 -2.155 -8.558 1.00 0.00 H new ATOM 0 HB2 ASP B 731 -10.591 -0.452 -10.973 1.00 0.00 H new ATOM 0 HB3 ASP B 731 -9.354 -1.693 -10.968 1.00 0.00 H new ATOM 2113 N TYR B 732 -7.774 -0.879 -8.276 1.00 0.00 N ATOM 2114 CA TYR B 732 -6.496 -0.235 -7.981 1.00 0.00 C ATOM 2115 C TYR B 732 -5.398 -1.013 -8.719 1.00 0.00 C ATOM 2116 O TYR B 732 -5.700 -1.918 -9.506 1.00 0.00 O ATOM 2117 CB TYR B 732 -6.267 -0.177 -6.458 1.00 0.00 C ATOM 2118 CG TYR B 732 -7.300 0.577 -5.626 1.00 0.00 C ATOM 2119 CD1 TYR B 732 -7.920 1.751 -6.105 1.00 0.00 C ATOM 2120 CD2 TYR B 732 -7.618 0.113 -4.335 1.00 0.00 C ATOM 2121 CE1 TYR B 732 -8.872 2.431 -5.323 1.00 0.00 C ATOM 2122 CE2 TYR B 732 -8.574 0.785 -3.551 1.00 0.00 C ATOM 2123 CZ TYR B 732 -9.214 1.946 -4.041 1.00 0.00 C ATOM 2124 OH TYR B 732 -10.171 2.559 -3.284 1.00 0.00 O ATOM 0 H TYR B 732 -7.763 -1.874 -8.050 1.00 0.00 H new ATOM 0 HA TYR B 732 -6.484 0.798 -8.328 1.00 0.00 H new ATOM 0 HB2 TYR B 732 -6.214 -1.200 -6.085 1.00 0.00 H new ATOM 0 HB3 TYR B 732 -5.293 0.278 -6.280 1.00 0.00 H new ATOM 0 HD1 TYR B 732 -7.661 2.131 -7.082 1.00 0.00 H new ATOM 0 HD2 TYR B 732 -7.125 -0.765 -3.944 1.00 0.00 H new ATOM 0 HE1 TYR B 732 -9.342 3.326 -5.704 1.00 0.00 H new ATOM 0 HE2 TYR B 732 -8.820 0.411 -2.568 1.00 0.00 H new ATOM 0 HH TYR B 732 -10.441 1.964 -2.554 1.00 0.00 H new ATOM 2134 N ILE B 733 -4.122 -0.659 -8.523 1.00 0.00 N ATOM 2135 CA ILE B 733 -3.044 -1.364 -9.209 1.00 0.00 C ATOM 2136 C ILE B 733 -2.685 -2.605 -8.386 1.00 0.00 C ATOM 2137 O ILE B 733 -2.058 -2.502 -7.331 1.00 0.00 O ATOM 2138 CB ILE B 733 -1.851 -0.415 -9.459 1.00 0.00 C ATOM 2139 CG1 ILE B 733 -2.252 0.881 -10.204 1.00 0.00 C ATOM 2140 CG2 ILE B 733 -0.733 -1.140 -10.232 1.00 0.00 C ATOM 2141 CD1 ILE B 733 -2.951 0.695 -11.558 1.00 0.00 C ATOM 0 H ILE B 733 -3.819 0.096 -7.907 1.00 0.00 H new ATOM 0 HA ILE B 733 -3.357 -1.700 -10.198 1.00 0.00 H new ATOM 0 HB ILE B 733 -1.485 -0.119 -8.476 1.00 0.00 H new ATOM 0 HG12 ILE B 733 -2.910 1.460 -9.555 1.00 0.00 H new ATOM 0 HG13 ILE B 733 -1.354 1.478 -10.361 1.00 0.00 H new ATOM 0 HG21 ILE B 733 0.098 -0.455 -10.398 1.00 0.00 H new ATOM 0 HG22 ILE B 733 -0.387 -1.996 -9.653 1.00 0.00 H new ATOM 0 HG23 ILE B 733 -1.118 -1.483 -11.192 1.00 0.00 H new ATOM 0 HD11 ILE B 733 -3.183 1.671 -11.985 1.00 0.00 H new ATOM 0 HD12 ILE B 733 -2.293 0.150 -12.235 1.00 0.00 H new ATOM 0 HD13 ILE B 733 -3.873 0.132 -11.417 1.00 0.00 H new ATOM 2153 N ILE B 734 -3.107 -3.789 -8.829 1.00 0.00 N ATOM 2154 CA ILE B 734 -2.786 -5.013 -8.105 1.00 0.00 C ATOM 2155 C ILE B 734 -1.322 -5.335 -8.429 1.00 0.00 C ATOM 2156 O ILE B 734 -0.923 -5.253 -9.596 1.00 0.00 O ATOM 2157 CB ILE B 734 -3.745 -6.175 -8.455 1.00 0.00 C ATOM 2158 CG1 ILE B 734 -5.218 -5.715 -8.330 1.00 0.00 C ATOM 2159 CG2 ILE B 734 -3.430 -7.355 -7.513 1.00 0.00 C ATOM 2160 CD1 ILE B 734 -6.256 -6.830 -8.419 1.00 0.00 C ATOM 0 H ILE B 734 -3.664 -3.924 -9.673 1.00 0.00 H new ATOM 0 HA ILE B 734 -2.917 -4.873 -7.032 1.00 0.00 H new ATOM 0 HB ILE B 734 -3.602 -6.494 -9.487 1.00 0.00 H new ATOM 0 HG12 ILE B 734 -5.342 -5.200 -7.377 1.00 0.00 H new ATOM 0 HG13 ILE B 734 -5.422 -4.987 -9.115 1.00 0.00 H new ATOM 0 HG21 ILE B 734 -4.094 -8.189 -7.740 1.00 0.00 H new ATOM 0 HG22 ILE B 734 -2.395 -7.667 -7.654 1.00 0.00 H new ATOM 0 HG23 ILE B 734 -3.578 -7.044 -6.479 1.00 0.00 H new ATOM 0 HD11 ILE B 734 -7.255 -6.406 -8.320 1.00 0.00 H new ATOM 0 HD12 ILE B 734 -6.169 -7.332 -9.382 1.00 0.00 H new ATOM 0 HD13 ILE B 734 -6.087 -7.550 -7.618 1.00 0.00 H new ATOM 2172 N ILE B 735 -0.518 -5.684 -7.421 1.00 0.00 N ATOM 2173 CA ILE B 735 0.891 -6.017 -7.606 1.00 0.00 C ATOM 2174 C ILE B 735 1.256 -7.226 -6.740 1.00 0.00 C ATOM 2175 O ILE B 735 1.689 -7.098 -5.594 1.00 0.00 O ATOM 2176 CB ILE B 735 1.784 -4.764 -7.436 1.00 0.00 C ATOM 2177 CG1 ILE B 735 3.251 -5.132 -7.751 1.00 0.00 C ATOM 2178 CG2 ILE B 735 1.648 -4.056 -6.072 1.00 0.00 C ATOM 2179 CD1 ILE B 735 4.127 -3.910 -8.031 1.00 0.00 C ATOM 0 H ILE B 735 -0.830 -5.743 -6.452 1.00 0.00 H new ATOM 0 HA ILE B 735 1.083 -6.334 -8.631 1.00 0.00 H new ATOM 0 HB ILE B 735 1.427 -4.024 -8.153 1.00 0.00 H new ATOM 0 HG12 ILE B 735 3.669 -5.687 -6.911 1.00 0.00 H new ATOM 0 HG13 ILE B 735 3.276 -5.796 -8.615 1.00 0.00 H new ATOM 0 HG21 ILE B 735 2.310 -3.190 -6.044 1.00 0.00 H new ATOM 0 HG22 ILE B 735 0.617 -3.729 -5.933 1.00 0.00 H new ATOM 0 HG23 ILE B 735 1.920 -4.747 -5.274 1.00 0.00 H new ATOM 0 HD11 ILE B 735 5.145 -4.234 -8.245 1.00 0.00 H new ATOM 0 HD12 ILE B 735 3.731 -3.367 -8.889 1.00 0.00 H new ATOM 0 HD13 ILE B 735 4.130 -3.257 -7.158 1.00 0.00 H new