USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 702 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 61 THR OG1 : rot 180:sc= -0.278 USER MOD Set 1.2: A 64 GLN : amide:sc= -1.1! C(o=-1.4!,f=-4.1!) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -170:sc=-0.00806 (180deg=-0.149) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.738 F(o=-1.3,f=-0.74) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc=-0.00676 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.183 USER MOD Single : A 29 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.054) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.00189 USER MOD Single : A 43 ASN : amide:sc= -1.23 K(o=-1.2,f=-5.3!) USER MOD Single : A 48 LYS NZ :NH3+ 138:sc= -0.326 (180deg=-2.16!) USER MOD Single : A 55 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 57 THR OG1 : rot 60:sc= -1.77! USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -69:sc= -0.0428 USER MOD Single : A 73 SER OG : rot -150:sc= 1.41 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -118:sc= 0.0595 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -122:sc= -0.589 (180deg=-2.21!) USER MOD ----------------------------------------------------------------- ATOM 200 C MET A 15 -8.552 -9.957 13.903 1.00 0.00 C ATOM 201 CA MET A 15 -7.218 -9.319 13.478 1.00 0.00 C ATOM 202 CB MET A 15 -6.555 -8.531 14.643 1.00 0.00 C ATOM 203 CE MET A 15 -2.585 -7.366 15.293 1.00 0.00 C ATOM 204 CG MET A 15 -5.083 -8.178 14.379 1.00 0.00 C ATOM 214 N MET A 15 -7.380 -8.446 12.298 1.00 0.00 N ATOM 215 O MET A 15 -8.567 -11.096 14.353 1.00 0.00 O ATOM 216 SD MET A 15 -4.320 -7.267 15.740 1.00 0.00 S ATOM 0 HA MET A 15 -6.556 -10.141 13.206 1.00 0.00 H new ATOM 0 HB2 MET A 15 -7.116 -7.613 14.817 1.00 0.00 H new ATOM 0 HB3 MET A 15 -6.621 -9.122 15.556 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.521 -9.095 14.203 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.016 -7.583 13.468 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.986 -6.847 16.041 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.280 -8.412 15.246 1.00 0.00 H new ATOM 0 HE3 MET A 15 -2.433 -6.900 14.320 1.00 0.00 H new ATOM 217 C GLU A 16 -11.351 -10.890 12.953 1.00 0.00 C ATOM 218 CA GLU A 16 -11.033 -9.742 13.931 1.00 0.00 C ATOM 219 CB GLU A 16 -12.065 -8.591 13.793 1.00 0.00 C ATOM 220 CD GLU A 16 -12.861 -6.292 14.650 1.00 0.00 C ATOM 221 CG GLU A 16 -11.954 -7.511 14.893 1.00 0.00 C ATOM 228 N GLU A 16 -9.664 -9.228 13.701 1.00 0.00 N ATOM 229 O GLU A 16 -11.962 -11.914 13.326 1.00 0.00 O ATOM 230 OE1 GLU A 16 -12.350 -5.216 14.260 1.00 0.00 O ATOM 231 OE2 GLU A 16 -14.091 -6.399 14.852 1.00 0.00 O ATOM 0 H GLU A 16 -9.642 -8.263 13.373 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.095 -10.139 14.944 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.938 -8.118 12.819 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.070 -9.013 13.813 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.207 -7.956 15.855 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.919 -7.176 14.959 1.00 0.00 H new ATOM 232 C MET A 17 -10.069 -12.950 11.015 1.00 0.00 C ATOM 233 CA MET A 17 -11.008 -11.767 10.677 1.00 0.00 C ATOM 234 CB MET A 17 -10.718 -11.214 9.254 1.00 0.00 C ATOM 235 CE MET A 17 -9.831 -9.003 7.037 1.00 0.00 C ATOM 236 CG MET A 17 -11.743 -10.183 8.735 1.00 0.00 C ATOM 246 N MET A 17 -10.899 -10.721 11.697 1.00 0.00 N ATOM 247 O MET A 17 -10.442 -14.089 10.814 1.00 0.00 O ATOM 248 SD MET A 17 -11.481 -9.711 7.005 1.00 0.00 S ATOM 0 H MET A 17 -10.454 -9.864 11.368 1.00 0.00 H new ATOM 0 HA MET A 17 -12.036 -12.129 10.678 1.00 0.00 H new ATOM 0 HB2 MET A 17 -9.730 -10.754 9.253 1.00 0.00 H new ATOM 0 HB3 MET A 17 -10.681 -12.050 8.556 1.00 0.00 H new ATOM 0 HG2 MET A 17 -12.747 -10.594 8.843 1.00 0.00 H new ATOM 0 HG3 MET A 17 -11.696 -9.290 9.358 1.00 0.00 H new ATOM 0 HE1 MET A 17 -9.625 -8.518 6.083 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.766 -8.268 7.839 1.00 0.00 H new ATOM 0 HE3 MET A 17 -9.099 -9.793 7.208 1.00 0.00 H new ATOM 249 C LEU A 18 -8.359 -14.541 13.145 1.00 0.00 C ATOM 250 CA LEU A 18 -7.876 -13.713 11.936 1.00 0.00 C ATOM 251 CB LEU A 18 -6.478 -13.100 12.237 1.00 0.00 C ATOM 252 CD1 LEU A 18 -4.428 -11.738 11.492 1.00 0.00 C ATOM 253 CD2 LEU A 18 -5.908 -12.868 9.741 1.00 0.00 C ATOM 254 CG LEU A 18 -5.857 -12.194 11.127 1.00 0.00 C ATOM 266 N LEU A 18 -8.870 -12.666 11.577 1.00 0.00 N ATOM 267 O LEU A 18 -7.922 -15.681 13.342 1.00 0.00 O ATOM 0 H LEU A 18 -8.564 -11.717 11.793 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.779 -14.371 11.073 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.553 -12.513 13.153 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.784 -13.916 12.438 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.472 -11.296 11.067 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.032 -11.110 10.694 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.454 -11.170 12.422 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.788 -12.612 11.618 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.466 -12.205 8.997 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.349 -13.803 9.771 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.945 -13.073 9.474 1.00 0.00 H new ATOM 268 C GLN A 19 -10.859 -15.705 14.493 1.00 0.00 C ATOM 269 CA GLN A 19 -9.942 -14.612 15.064 1.00 0.00 C ATOM 270 CB GLN A 19 -10.789 -13.597 15.886 1.00 0.00 C ATOM 271 CD GLN A 19 -10.853 -11.404 17.230 1.00 0.00 C ATOM 272 CG GLN A 19 -9.988 -12.552 16.690 1.00 0.00 C ATOM 281 N GLN A 19 -9.240 -13.929 13.962 1.00 0.00 N ATOM 282 NE2 GLN A 19 -12.028 -11.582 17.546 1.00 0.00 N flip ATOM 283 O GLN A 19 -10.741 -16.887 14.845 1.00 0.00 O ATOM 284 OE1 GLN A 19 -10.290 -10.210 17.304 1.00 0.00 O flip ATOM 0 H GLN A 19 -9.485 -12.943 13.874 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.200 -15.063 15.723 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.454 -13.070 15.202 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.420 -14.155 16.578 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.493 -13.048 17.525 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.204 -12.139 16.055 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.438 -12.513 17.480 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.592 -10.798 17.874 1.00 0.00 H new ATOM 285 C ARG A 20 -12.140 -17.062 11.840 1.00 0.00 C ATOM 286 CA ARG A 20 -12.761 -16.184 12.954 1.00 0.00 C ATOM 287 CB ARG A 20 -13.966 -15.360 12.403 1.00 0.00 C ATOM 288 CD ARG A 20 -14.817 -13.578 10.751 1.00 0.00 C ATOM 289 CG ARG A 20 -13.636 -14.457 11.195 1.00 0.00 C ATOM 290 CZ ARG A 20 -17.224 -13.864 10.124 1.00 0.00 C ATOM 304 N ARG A 20 -11.763 -15.283 13.578 1.00 0.00 N ATOM 305 NE ARG A 20 -15.997 -14.365 10.334 1.00 0.00 N ATOM 306 NH1 ARG A 20 -17.476 -12.570 10.305 1.00 0.00 N ATOM 307 NH2 ARG A 20 -18.200 -14.666 9.733 1.00 0.00 N ATOM 308 O ARG A 20 -12.797 -17.981 11.340 1.00 0.00 O ATOM 0 H ARG A 20 -11.821 -14.318 13.254 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.120 -16.861 13.729 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.759 -16.051 12.116 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.360 -14.738 13.207 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.791 -13.817 11.449 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.322 -15.082 10.358 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.099 -12.917 11.570 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.500 -12.943 9.924 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.868 -15.367 10.195 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.731 -11.943 10.608 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.414 -12.205 10.141 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.018 -15.660 9.593 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.135 -14.291 9.572 1.00 0.00 H new ATOM 309 C GLU A 21 -9.257 -18.594 11.035 1.00 0.00 C ATOM 310 CA GLU A 21 -10.162 -17.520 10.404 1.00 0.00 C ATOM 311 CB GLU A 21 -9.308 -16.558 9.525 1.00 0.00 C ATOM 312 CD GLU A 21 -9.807 -17.532 7.203 1.00 0.00 C ATOM 313 CG GLU A 21 -8.731 -17.173 8.239 1.00 0.00 C ATOM 320 N GLU A 21 -10.878 -16.771 11.456 1.00 0.00 N ATOM 321 O GLU A 21 -9.554 -19.794 10.960 1.00 0.00 O ATOM 322 OE1 GLU A 21 -10.247 -16.637 6.454 1.00 0.00 O ATOM 323 OE2 GLU A 21 -10.219 -18.707 7.130 1.00 0.00 O ATOM 0 H GLU A 21 -10.331 -16.014 11.865 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.903 -18.006 9.769 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.923 -15.700 9.253 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.483 -16.179 10.128 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.026 -16.471 7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.168 -18.071 8.494 1.00 0.00 H new ATOM 324 C TYR A 22 -7.460 -19.616 13.552 1.00 0.00 C ATOM 325 CA TYR A 22 -7.100 -19.027 12.183 1.00 0.00 C ATOM 326 CB TYR A 22 -5.746 -18.264 12.258 1.00 0.00 C ATOM 327 CD1 TYR A 22 -4.535 -16.484 10.893 1.00 0.00 C ATOM 328 CD2 TYR A 22 -5.516 -18.314 9.709 1.00 0.00 C ATOM 329 CE1 TYR A 22 -4.095 -15.954 9.699 1.00 0.00 C ATOM 330 CE2 TYR A 22 -5.077 -17.779 8.515 1.00 0.00 C ATOM 331 CG TYR A 22 -5.261 -17.679 10.930 1.00 0.00 C ATOM 332 CZ TYR A 22 -4.365 -16.601 8.516 1.00 0.00 C ATOM 342 N TYR A 22 -8.168 -18.142 11.692 1.00 0.00 N ATOM 343 O TYR A 22 -7.828 -20.792 13.645 1.00 0.00 O ATOM 344 OH TYR A 22 -3.930 -16.060 7.323 1.00 0.00 O ATOM 0 H TYR A 22 -8.008 -17.155 11.895 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.995 -19.850 11.476 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.842 -17.454 12.981 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.984 -18.943 12.639 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -4.315 -15.968 11.816 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.068 -19.242 9.701 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -3.537 -15.029 9.693 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.291 -18.282 7.584 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.202 -16.641 6.582 1.00 0.00 H new ATOM 345 C SER A 23 -7.473 -18.007 16.953 1.00 0.00 C ATOM 346 CA SER A 23 -7.502 -19.216 15.999 1.00 0.00 C ATOM 347 CB SER A 23 -6.340 -20.201 16.325 1.00 0.00 C ATOM 353 N SER A 23 -7.398 -18.770 14.598 1.00 0.00 N ATOM 354 O SER A 23 -6.985 -16.927 16.588 1.00 0.00 O ATOM 355 OG SER A 23 -5.072 -19.617 16.080 1.00 0.00 O ATOM 0 H SER A 23 -7.275 -17.763 14.496 1.00 0.00 H new ATOM 0 HA SER A 23 -8.451 -19.733 16.138 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.404 -20.506 17.369 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.448 -21.103 15.722 1.00 0.00 H new ATOM 0 HG SER A 23 -4.367 -20.262 16.297 1.00 0.00 H new ATOM 356 C THR A 24 -7.331 -17.963 20.490 1.00 0.00 C ATOM 357 CA THR A 24 -7.934 -17.244 19.280 1.00 0.00 C ATOM 358 CB THR A 24 -9.327 -16.661 19.686 1.00 0.00 C ATOM 359 CG2 THR A 24 -9.933 -15.802 18.579 1.00 0.00 C ATOM 367 N THR A 24 -8.030 -18.198 18.159 1.00 0.00 N ATOM 368 O THR A 24 -7.534 -19.174 20.664 1.00 0.00 O ATOM 369 OG1 THR A 24 -10.241 -17.725 20.009 1.00 0.00 O ATOM 0 H THR A 24 -8.569 -19.033 18.389 1.00 0.00 H new ATOM 0 HA THR A 24 -7.306 -16.414 18.956 1.00 0.00 H new ATOM 0 HB THR A 24 -9.165 -16.030 20.560 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.108 -17.346 20.263 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.900 -15.418 18.904 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.266 -14.968 18.360 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.066 -16.406 17.681 1.00 0.00 H new ATOM 370 C LEU A 25 -7.014 -17.689 23.684 1.00 0.00 C ATOM 371 CA LEU A 25 -5.993 -17.783 22.546 1.00 0.00 C ATOM 372 CB LEU A 25 -4.696 -17.022 22.916 1.00 0.00 C ATOM 373 CD1 LEU A 25 -3.263 -19.104 23.187 1.00 0.00 C ATOM 374 CD2 LEU A 25 -2.506 -16.894 24.199 1.00 0.00 C ATOM 375 CG LEU A 25 -3.712 -17.781 23.841 1.00 0.00 C ATOM 387 N LEU A 25 -6.590 -17.226 21.327 1.00 0.00 N ATOM 388 O LEU A 25 -7.430 -16.583 24.047 1.00 0.00 O ATOM 0 H LEU A 25 -6.389 -16.237 21.180 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.729 -18.827 22.377 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.174 -16.763 21.995 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.972 -16.085 23.400 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.229 -18.026 24.769 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.572 -19.623 23.852 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.134 -19.734 23.005 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.765 -18.892 22.241 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.828 -17.447 24.849 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.982 -16.608 23.287 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.853 -15.999 24.714 1.00 0.00 H new ATOM 389 C ARG A 26 -7.806 -18.766 26.682 1.00 0.00 C ATOM 390 CA ARG A 26 -8.454 -18.887 25.289 1.00 0.00 C ATOM 391 CB ARG A 26 -9.299 -20.192 25.207 1.00 0.00 C ATOM 392 CD ARG A 26 -9.307 -22.708 25.757 1.00 0.00 C ATOM 393 CG ARG A 26 -8.486 -21.507 25.286 1.00 0.00 C ATOM 394 CZ ARG A 26 -10.292 -23.515 27.902 1.00 0.00 C ATOM 408 N ARG A 26 -7.440 -18.841 24.219 1.00 0.00 N ATOM 409 NE ARG A 26 -9.694 -22.571 27.172 1.00 0.00 N ATOM 410 NH1 ARG A 26 -10.565 -24.706 27.389 1.00 0.00 N ATOM 411 NH2 ARG A 26 -10.571 -23.281 29.167 1.00 0.00 N ATOM 412 O ARG A 26 -8.330 -18.073 27.562 1.00 0.00 O ATOM 0 H ARG A 26 -7.099 -19.758 23.929 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.116 -18.034 25.142 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.029 -20.185 26.016 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.860 -20.185 24.272 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.069 -21.726 24.303 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -7.645 -21.364 25.965 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.201 -22.804 25.141 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.728 -23.622 25.623 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.488 -21.683 27.631 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.318 -24.913 26.421 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.022 -25.415 27.962 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.330 -22.382 29.584 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.028 -23.999 29.730 1.00 0.00 H new ATOM 413 C SER A 27 -4.510 -19.747 28.033 1.00 0.00 C ATOM 414 CA SER A 27 -6.025 -19.614 28.193 1.00 0.00 C ATOM 415 CB SER A 27 -6.590 -20.881 28.903 1.00 0.00 C ATOM 421 N SER A 27 -6.661 -19.445 26.873 1.00 0.00 N ATOM 422 O SER A 27 -4.022 -20.131 26.967 1.00 0.00 O ATOM 423 OG SER A 27 -8.009 -20.861 28.967 1.00 0.00 O ATOM 0 H SER A 27 -6.148 -19.894 26.114 1.00 0.00 H new ATOM 0 HA SER A 27 -6.245 -18.736 28.801 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.263 -21.773 28.369 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.181 -20.945 29.912 1.00 0.00 H new ATOM 0 HG SER A 27 -8.328 -21.671 29.417 1.00 0.00 H new ATOM 424 C VAL A 28 -1.992 -20.061 30.633 1.00 0.00 C ATOM 425 CA VAL A 28 -2.318 -19.607 29.202 1.00 0.00 C ATOM 426 CB VAL A 28 -1.472 -18.325 28.868 1.00 0.00 C ATOM 427 CG1 VAL A 28 0.047 -18.622 28.877 1.00 0.00 C ATOM 428 CG2 VAL A 28 -1.892 -17.714 27.526 1.00 0.00 C ATOM 438 N VAL A 28 -3.769 -19.376 29.093 1.00 0.00 N ATOM 439 O VAL A 28 -2.402 -19.410 31.603 1.00 0.00 O ATOM 0 H VAL A 28 -4.165 -18.903 29.905 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.053 -20.372 28.473 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.674 -17.597 29.654 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.597 -17.711 28.642 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.342 -18.980 29.864 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.273 -19.385 28.132 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.288 -16.829 27.324 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.742 -18.444 26.731 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.944 -17.433 27.567 1.00 0.00 H new ATOM 440 C GLN A 29 0.755 -21.845 31.932 1.00 0.00 C ATOM 441 CA GLN A 29 -0.775 -21.713 32.019 1.00 0.00 C ATOM 442 CB GLN A 29 -1.435 -23.095 32.313 1.00 0.00 C ATOM 443 CD GLN A 29 -1.711 -25.582 31.592 1.00 0.00 C ATOM 444 CG GLN A 29 -1.040 -24.228 31.336 1.00 0.00 C ATOM 453 N GLN A 29 -1.264 -21.175 30.745 1.00 0.00 N ATOM 454 NE2 GLN A 29 -2.052 -25.882 32.842 1.00 0.00 N ATOM 455 O GLN A 29 1.289 -22.204 30.877 1.00 0.00 O ATOM 456 OE1 GLN A 29 -1.910 -26.363 30.664 1.00 0.00 O ATOM 0 H GLN A 29 -0.993 -21.739 29.939 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.039 -21.042 32.836 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.170 -23.400 33.325 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.518 -22.976 32.289 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.279 -23.909 30.321 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.041 -24.363 31.381 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.875 -25.215 33.593 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.490 -26.779 33.050 1.00 0.00 H new ATOM 457 C TYR A 30 3.046 -23.193 33.777 1.00 0.00 C ATOM 458 CA TYR A 30 2.889 -21.805 33.137 1.00 0.00 C ATOM 459 CB TYR A 30 3.635 -20.721 33.960 1.00 0.00 C ATOM 460 CD1 TYR A 30 5.702 -21.210 35.393 1.00 0.00 C ATOM 461 CD2 TYR A 30 5.966 -21.150 33.022 1.00 0.00 C ATOM 462 CE1 TYR A 30 7.039 -21.524 35.526 1.00 0.00 C ATOM 463 CE2 TYR A 30 7.303 -21.458 33.158 1.00 0.00 C ATOM 464 CG TYR A 30 5.134 -21.009 34.134 1.00 0.00 C ATOM 465 CZ TYR A 30 7.834 -21.650 34.410 1.00 0.00 C ATOM 475 N TYR A 30 1.460 -21.508 33.015 1.00 0.00 N ATOM 476 O TYR A 30 2.324 -23.540 34.717 1.00 0.00 O ATOM 477 OH TYR A 30 9.165 -21.974 34.552 1.00 0.00 O ATOM 0 H TYR A 30 1.063 -21.028 33.822 1.00 0.00 H new ATOM 0 HA TYR A 30 3.340 -21.803 32.145 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.513 -19.755 33.469 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.172 -20.640 34.943 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.086 -21.118 36.276 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.553 -21.015 32.033 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.463 -21.671 36.508 1.00 0.00 H new ATOM 0 HE2 TYR A 30 7.930 -21.548 32.283 1.00 0.00 H new ATOM 0 HH TYR A 30 9.585 -22.025 33.668 1.00 0.00 H new ATOM 478 C ARG A 31 5.784 -25.252 34.234 1.00 0.00 C ATOM 479 CA ARG A 31 4.325 -25.306 33.770 1.00 0.00 C ATOM 480 CB ARG A 31 4.086 -26.408 32.708 1.00 0.00 C ATOM 481 CD ARG A 31 2.339 -27.796 31.423 1.00 0.00 C ATOM 482 CG ARG A 31 2.608 -26.550 32.278 1.00 0.00 C ATOM 483 CZ ARG A 31 2.185 -30.270 31.749 1.00 0.00 C ATOM 497 N ARG A 31 3.964 -23.993 33.230 1.00 0.00 N ATOM 498 NE ARG A 31 2.586 -29.052 32.154 1.00 0.00 N ATOM 499 NH1 ARG A 31 1.452 -30.424 30.646 1.00 0.00 N ATOM 500 NH2 ARG A 31 2.484 -31.325 32.473 1.00 0.00 N ATOM 501 O ARG A 31 6.703 -25.176 33.413 1.00 0.00 O ATOM 0 H ARG A 31 4.484 -23.744 32.389 1.00 0.00 H new ATOM 0 HA ARG A 31 3.697 -25.557 34.625 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.691 -26.189 31.828 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.433 -27.362 33.104 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.980 -26.587 33.168 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.314 -25.663 31.717 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.305 -27.779 31.078 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.972 -27.766 30.536 1.00 0.00 H new ATOM 0 HE ARG A 31 3.100 -28.993 33.033 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.186 -29.609 30.093 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.158 -31.356 30.355 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.017 -31.217 33.336 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.183 -32.252 32.172 1.00 0.00 H new ATOM 502 C SER A 32 8.160 -26.275 36.145 1.00 0.00 C ATOM 503 CA SER A 32 7.256 -25.039 36.233 1.00 0.00 C ATOM 504 CB SER A 32 6.986 -24.643 37.701 1.00 0.00 C ATOM 510 N SER A 32 5.965 -25.259 35.564 1.00 0.00 N ATOM 511 O SER A 32 9.368 -26.150 35.915 1.00 0.00 O ATOM 512 OG SER A 32 6.185 -25.612 38.350 1.00 0.00 O ATOM 0 H SER A 32 5.200 -25.422 36.219 1.00 0.00 H new ATOM 0 HA SER A 32 7.790 -24.234 35.728 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.932 -24.534 38.232 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.488 -23.674 37.734 1.00 0.00 H new ATOM 0 HG SER A 32 6.030 -25.339 39.278 1.00 0.00 H new ATOM 513 C GLU A 33 8.734 -29.048 34.782 1.00 0.00 C ATOM 514 CA GLU A 33 8.292 -28.755 36.225 1.00 0.00 C ATOM 515 CB GLU A 33 7.455 -29.934 36.797 1.00 0.00 C ATOM 516 CD GLU A 33 5.053 -29.262 36.162 1.00 0.00 C ATOM 517 CG GLU A 33 6.168 -30.307 36.030 1.00 0.00 C ATOM 524 N GLU A 33 7.560 -27.465 36.318 1.00 0.00 N ATOM 525 O GLU A 33 9.706 -29.780 34.543 1.00 0.00 O ATOM 526 OE1 GLU A 33 4.367 -29.244 37.206 1.00 0.00 O ATOM 527 OE2 GLU A 33 4.880 -28.434 35.248 1.00 0.00 O ATOM 0 H GLU A 33 6.566 -27.568 36.524 1.00 0.00 H new ATOM 0 HA GLU A 33 9.188 -28.658 36.838 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.094 -30.816 36.839 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.181 -29.690 37.823 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.408 -30.439 34.975 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.801 -31.266 36.396 1.00 0.00 H new ATOM 528 C GLU A 34 9.238 -27.376 31.984 1.00 0.00 C ATOM 529 CA GLU A 34 8.317 -28.541 32.399 1.00 0.00 C ATOM 530 CB GLU A 34 7.008 -28.532 31.585 1.00 0.00 C ATOM 531 CD GLU A 34 6.535 -31.049 31.888 1.00 0.00 C ATOM 532 CG GLU A 34 6.000 -29.613 32.022 1.00 0.00 C ATOM 539 N GLU A 34 7.990 -28.476 33.830 1.00 0.00 N ATOM 540 O GLU A 34 9.953 -27.463 30.978 1.00 0.00 O ATOM 541 OE1 GLU A 34 6.816 -31.700 32.919 1.00 0.00 O ATOM 542 OE2 GLU A 34 6.677 -31.534 30.750 1.00 0.00 O ATOM 0 H GLU A 34 7.138 -27.951 34.030 1.00 0.00 H new ATOM 0 HA GLU A 34 8.861 -29.464 32.197 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.540 -27.552 31.678 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.245 -28.674 30.531 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.718 -29.435 33.060 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.094 -29.515 31.424 1.00 0.00 H new ATOM 543 C GLY A 35 9.547 -24.341 31.244 1.00 0.00 C ATOM 544 CA GLY A 35 9.992 -25.078 32.512 1.00 0.00 C ATOM 548 N GLY A 35 9.207 -26.287 32.779 1.00 0.00 N ATOM 549 O GLY A 35 10.335 -23.609 30.635 1.00 0.00 O ATOM 0 H GLY A 35 8.636 -26.227 33.622 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.911 -24.404 33.365 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.044 -25.348 32.418 1.00 0.00 H new ATOM 550 C VAL A 36 6.375 -23.267 29.893 1.00 0.00 C ATOM 551 CA VAL A 36 7.693 -24.004 29.594 1.00 0.00 C ATOM 552 CB VAL A 36 7.418 -25.138 28.518 1.00 0.00 C ATOM 553 CG1 VAL A 36 8.703 -25.944 28.191 1.00 0.00 C ATOM 554 CG2 VAL A 36 6.260 -26.083 28.954 1.00 0.00 C ATOM 564 N VAL A 36 8.270 -24.548 30.844 1.00 0.00 N ATOM 565 O VAL A 36 5.701 -23.559 30.890 1.00 0.00 O ATOM 0 H VAL A 36 7.607 -25.102 31.385 1.00 0.00 H new ATOM 0 HA VAL A 36 8.427 -23.312 29.180 1.00 0.00 H new ATOM 0 HB VAL A 36 7.103 -24.634 27.604 1.00 0.00 H new ATOM 0 HG11 VAL A 36 8.473 -26.710 27.451 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.463 -25.271 27.793 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.077 -26.417 29.099 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.104 -26.844 28.190 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.518 -26.563 29.898 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.345 -25.504 29.080 1.00 0.00 H new ATOM 566 C ILE A 37 3.823 -22.259 27.978 1.00 0.00 C ATOM 567 CA ILE A 37 4.722 -21.625 29.052 1.00 0.00 C ATOM 568 CB ILE A 37 4.868 -20.082 28.784 1.00 0.00 C ATOM 569 CD1 ILE A 37 6.252 -18.001 29.446 1.00 0.00 C ATOM 570 CG1 ILE A 37 5.963 -19.463 29.708 1.00 0.00 C ATOM 571 CG2 ILE A 37 3.512 -19.356 28.967 1.00 0.00 C ATOM 583 N ILE A 37 6.021 -22.314 29.021 1.00 0.00 N ATOM 584 O ILE A 37 4.204 -22.326 26.803 1.00 0.00 O ATOM 0 H ILE A 37 6.632 -21.996 28.268 1.00 0.00 H new ATOM 0 HA ILE A 37 4.286 -21.737 30.045 1.00 0.00 H new ATOM 0 HB ILE A 37 5.181 -19.946 27.749 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.652 -19.578 30.746 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.886 -20.030 29.587 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.641 -18.291 28.776 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.783 -19.765 28.267 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.156 -19.501 29.987 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.024 -17.654 30.133 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.597 -17.877 28.419 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.344 -17.418 29.597 1.00 0.00 H new ATOM 585 C VAL A 38 0.526 -22.437 27.197 1.00 0.00 C ATOM 586 CA VAL A 38 1.676 -23.410 27.525 1.00 0.00 C ATOM 587 CB VAL A 38 1.119 -24.731 28.175 1.00 0.00 C ATOM 588 CG1 VAL A 38 -0.074 -25.322 27.374 1.00 0.00 C ATOM 589 CG2 VAL A 38 2.259 -25.770 28.341 1.00 0.00 C ATOM 599 N VAL A 38 2.661 -22.762 28.404 1.00 0.00 N ATOM 600 O VAL A 38 -0.271 -22.068 28.065 1.00 0.00 O ATOM 0 H VAL A 38 2.372 -22.732 29.382 1.00 0.00 H new ATOM 0 HA VAL A 38 2.177 -23.681 26.596 1.00 0.00 H new ATOM 0 HB VAL A 38 0.733 -24.477 29.162 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.424 -26.232 27.861 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.885 -24.594 27.339 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.249 -25.555 26.359 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.860 -26.679 28.792 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.682 -26.005 27.364 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.037 -25.357 28.984 1.00 0.00 H new ATOM 601 C PHE A 39 -1.703 -22.065 24.831 1.00 0.00 C ATOM 602 CA PHE A 39 -0.576 -21.173 25.372 1.00 0.00 C ATOM 603 CB PHE A 39 0.008 -20.279 24.247 1.00 0.00 C ATOM 604 CD1 PHE A 39 0.941 -18.106 25.143 1.00 0.00 C ATOM 605 CD2 PHE A 39 2.477 -19.880 24.676 1.00 0.00 C ATOM 606 CE1 PHE A 39 1.982 -17.308 25.556 1.00 0.00 C ATOM 607 CE2 PHE A 39 3.520 -19.085 25.089 1.00 0.00 C ATOM 608 CG PHE A 39 1.166 -19.403 24.698 1.00 0.00 C ATOM 609 CZ PHE A 39 3.271 -17.795 25.529 1.00 0.00 C ATOM 619 N PHE A 39 0.477 -22.023 25.927 1.00 0.00 N ATOM 620 O PHE A 39 -1.609 -22.601 23.718 1.00 0.00 O ATOM 0 H PHE A 39 1.188 -22.277 25.241 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.979 -20.522 26.148 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.343 -20.915 23.428 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.785 -19.643 23.853 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.067 -17.719 25.165 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.675 -20.884 24.331 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.790 -16.303 25.901 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.531 -19.465 25.070 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.090 -17.169 25.852 1.00 0.00 H new ATOM 621 C ILE A 40 -4.789 -22.373 24.297 1.00 0.00 C ATOM 622 CA ILE A 40 -3.888 -23.109 25.309 1.00 0.00 C ATOM 623 CB ILE A 40 -4.716 -23.488 26.592 1.00 0.00 C ATOM 624 CD1 ILE A 40 -4.450 -24.263 29.067 1.00 0.00 C ATOM 625 CG1 ILE A 40 -3.774 -24.045 27.718 1.00 0.00 C ATOM 626 CG2 ILE A 40 -5.852 -24.493 26.256 1.00 0.00 C ATOM 638 N ILE A 40 -2.741 -22.256 25.650 1.00 0.00 N ATOM 639 O ILE A 40 -5.377 -21.324 24.611 1.00 0.00 O ATOM 0 H ILE A 40 -2.812 -21.823 26.571 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.515 -24.033 24.867 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.187 -22.580 26.968 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.350 -24.992 27.382 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.942 -23.353 27.852 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.405 -24.734 27.164 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.529 -24.047 25.527 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.421 -25.404 25.841 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.722 -24.649 29.781 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.849 -23.316 29.431 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.263 -24.980 28.955 1.00 0.00 H new ATOM 640 C LEU A 41 -7.154 -22.800 22.162 1.00 0.00 C ATOM 641 CA LEU A 41 -5.689 -22.378 21.993 1.00 0.00 C ATOM 642 CB LEU A 41 -5.132 -22.825 20.606 1.00 0.00 C ATOM 643 CD1 LEU A 41 -3.452 -22.445 18.680 1.00 0.00 C ATOM 644 CD2 LEU A 41 -4.674 -20.495 19.745 1.00 0.00 C ATOM 645 CG LEU A 41 -4.055 -21.880 19.987 1.00 0.00 C ATOM 657 N LEU A 41 -4.845 -22.909 23.074 1.00 0.00 N ATOM 658 O LEU A 41 -7.452 -23.835 22.771 1.00 0.00 O ATOM 0 H LEU A 41 -4.303 -23.729 22.802 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.661 -21.290 22.045 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.702 -23.821 20.709 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.965 -22.908 19.907 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.232 -21.799 20.697 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.709 -21.749 18.291 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.978 -23.405 18.883 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.243 -22.580 17.943 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.925 -19.832 19.313 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.516 -20.588 19.059 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.021 -20.081 20.692 1.00 0.00 H new ATOM 659 C ALA A 42 -9.847 -23.476 20.731 1.00 0.00 C ATOM 660 CA ALA A 42 -9.512 -22.236 21.588 1.00 0.00 C ATOM 661 CB ALA A 42 -10.264 -20.993 21.083 1.00 0.00 C ATOM 667 N ALA A 42 -8.057 -21.974 21.602 1.00 0.00 N ATOM 668 O ALA A 42 -10.874 -24.128 20.929 1.00 0.00 O ATOM 0 H ALA A 42 -7.798 -21.100 21.143 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.836 -22.449 22.607 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.335 -21.194 21.076 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.057 -20.150 21.742 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.933 -20.753 20.073 1.00 0.00 H new ATOM 669 C ASN A 43 -8.268 -26.175 19.566 1.00 0.00 C ATOM 670 CA ASN A 43 -9.003 -24.975 18.922 1.00 0.00 C ATOM 671 CB ASN A 43 -8.422 -24.622 17.522 1.00 0.00 C ATOM 672 CG ASN A 43 -7.030 -23.989 17.588 1.00 0.00 C ATOM 679 N ASN A 43 -8.945 -23.777 19.786 1.00 0.00 N ATOM 680 ND2 ASN A 43 -5.982 -24.760 17.354 1.00 0.00 N ATOM 681 O ASN A 43 -7.990 -27.169 18.884 1.00 0.00 O ATOM 682 OD1 ASN A 43 -6.906 -22.803 17.846 1.00 0.00 O ATOM 0 H ASN A 43 -8.137 -23.185 19.593 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.042 -25.282 18.804 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.374 -25.528 16.917 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.102 -23.937 17.016 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.042 -24.366 17.387 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.114 -25.749 17.141 1.00 0.00 H new ATOM 683 C ASP A 44 -5.962 -27.522 21.162 1.00 0.00 C ATOM 684 CA ASP A 44 -7.345 -27.127 21.709 1.00 0.00 C ATOM 685 CB ASP A 44 -8.275 -28.372 21.861 1.00 0.00 C ATOM 686 CG ASP A 44 -9.539 -28.078 22.686 1.00 0.00 C ATOM 691 N ASP A 44 -7.985 -26.066 20.890 1.00 0.00 N ATOM 692 O ASP A 44 -5.697 -28.697 20.877 1.00 0.00 O ATOM 693 OD1 ASP A 44 -10.561 -27.643 22.109 1.00 0.00 O ATOM 694 OD2 ASP A 44 -9.520 -28.279 23.921 1.00 0.00 O ATOM 0 H ASP A 44 -8.199 -25.225 21.426 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.188 -26.710 22.704 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.567 -28.724 20.872 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.718 -29.180 22.335 1.00 0.00 H new ATOM 695 C ARG A 45 -2.812 -26.022 21.724 1.00 0.00 C ATOM 696 CA ARG A 45 -3.680 -26.702 20.650 1.00 0.00 C ATOM 697 CB ARG A 45 -3.361 -26.124 19.254 1.00 0.00 C ATOM 698 CD ARG A 45 -1.639 -25.617 17.453 1.00 0.00 C ATOM 699 CG ARG A 45 -1.896 -26.287 18.806 1.00 0.00 C ATOM 700 CZ ARG A 45 -2.720 -25.575 15.203 1.00 0.00 C ATOM 714 N ARG A 45 -5.102 -26.510 20.974 1.00 0.00 N ATOM 715 NE ARG A 45 -2.531 -26.137 16.401 1.00 0.00 N ATOM 716 NH1 ARG A 45 -2.071 -24.467 14.855 1.00 0.00 N ATOM 717 NH2 ARG A 45 -3.556 -26.135 14.343 1.00 0.00 N ATOM 718 O ARG A 45 -2.868 -24.802 21.897 1.00 0.00 O ATOM 0 H ARG A 45 -5.375 -25.530 21.043 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.459 -27.769 20.634 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.006 -26.607 18.520 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.612 -25.063 19.250 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.235 -25.854 19.557 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.652 -27.347 18.739 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.781 -24.540 17.549 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.601 -25.777 17.160 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.045 -26.994 16.603 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.417 -24.033 15.507 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.227 -24.052 13.937 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.051 -26.990 14.596 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.705 -25.711 13.427 1.00 0.00 H new ATOM 719 C GLU A 46 0.205 -25.901 22.894 1.00 0.00 C ATOM 720 CA GLU A 46 -1.138 -26.347 23.507 1.00 0.00 C ATOM 721 CB GLU A 46 -0.909 -27.475 24.561 1.00 0.00 C ATOM 722 CD GLU A 46 -3.097 -28.856 24.310 1.00 0.00 C ATOM 723 CG GLU A 46 -2.186 -28.030 25.245 1.00 0.00 C ATOM 730 N GLU A 46 -2.018 -26.823 22.436 1.00 0.00 N ATOM 731 O GLU A 46 1.033 -26.744 22.539 1.00 0.00 O ATOM 732 OE1 GLU A 46 -4.223 -28.412 23.988 1.00 0.00 O ATOM 733 OE2 GLU A 46 -2.656 -29.940 23.858 1.00 0.00 O ATOM 0 H GLU A 46 -1.966 -27.830 22.285 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.603 -25.501 24.012 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.392 -28.302 24.074 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.242 -27.094 25.334 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.891 -28.653 26.089 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.760 -27.196 25.649 1.00 0.00 H new ATOM 734 C LEU A 47 2.709 -23.927 23.322 1.00 0.00 C ATOM 735 CA LEU A 47 1.655 -24.018 22.204 1.00 0.00 C ATOM 736 CB LEU A 47 1.411 -22.635 21.540 1.00 0.00 C ATOM 737 CD1 LEU A 47 0.512 -21.249 19.574 1.00 0.00 C ATOM 738 CD2 LEU A 47 1.706 -23.455 19.144 1.00 0.00 C ATOM 739 CG LEU A 47 0.787 -22.673 20.110 1.00 0.00 C ATOM 751 N LEU A 47 0.397 -24.581 22.730 1.00 0.00 N ATOM 752 O LEU A 47 2.568 -23.157 24.262 1.00 0.00 O ATOM 0 H LEU A 47 -0.308 -23.879 22.956 1.00 0.00 H new ATOM 0 HA LEU A 47 2.038 -24.686 21.433 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.756 -22.052 22.187 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.362 -22.104 21.488 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.171 -23.189 20.175 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.078 -21.313 18.576 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.183 -20.737 20.240 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.447 -20.691 19.527 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.258 -23.473 18.150 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.680 -22.968 19.094 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.829 -24.476 19.505 1.00 0.00 H new ATOM 753 C LYS A 48 6.008 -23.968 23.803 1.00 0.00 C ATOM 754 CA LYS A 48 4.832 -24.871 24.185 1.00 0.00 C ATOM 755 CB LYS A 48 5.289 -26.352 24.266 1.00 0.00 C ATOM 756 CD LYS A 48 7.074 -28.058 25.130 1.00 0.00 C ATOM 757 CE LYS A 48 6.186 -29.067 25.890 1.00 0.00 C ATOM 758 CG LYS A 48 6.539 -26.598 25.146 1.00 0.00 C ATOM 772 N LYS A 48 3.761 -24.733 23.184 1.00 0.00 N ATOM 773 NZ LYS A 48 4.919 -29.390 25.187 1.00 0.00 N ATOM 774 O LYS A 48 6.683 -24.216 22.804 1.00 0.00 O ATOM 0 H LYS A 48 3.900 -25.320 22.362 1.00 0.00 H new ATOM 0 HA LYS A 48 4.458 -24.569 25.163 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.465 -26.951 24.654 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.496 -26.710 23.257 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.335 -25.931 24.815 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.301 -26.325 26.174 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.172 -28.385 24.095 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.073 -28.071 25.565 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.749 -29.987 26.048 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.953 -28.663 26.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.735 -30.411 25.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.135 -28.867 25.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.998 -29.118 24.186 1.00 0.00 H new ATOM 775 C PHE A 49 7.886 -21.582 25.799 1.00 0.00 C ATOM 776 CA PHE A 49 7.348 -21.973 24.407 1.00 0.00 C ATOM 777 CB PHE A 49 6.897 -20.713 23.617 1.00 0.00 C ATOM 778 CD1 PHE A 49 7.464 -20.890 21.141 1.00 0.00 C ATOM 779 CD2 PHE A 49 5.199 -21.299 21.796 1.00 0.00 C ATOM 780 CE1 PHE A 49 7.124 -21.128 19.821 1.00 0.00 C ATOM 781 CE2 PHE A 49 4.862 -21.537 20.474 1.00 0.00 C ATOM 782 CG PHE A 49 6.510 -20.967 22.156 1.00 0.00 C ATOM 783 CZ PHE A 49 5.825 -21.453 19.487 1.00 0.00 C ATOM 793 N PHE A 49 6.220 -22.900 24.582 1.00 0.00 N ATOM 794 O PHE A 49 7.131 -21.077 26.624 1.00 0.00 O ATOM 0 H PHE A 49 5.608 -22.652 25.359 1.00 0.00 H new ATOM 0 HA PHE A 49 8.139 -22.457 23.834 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.045 -20.267 24.130 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.703 -19.980 23.641 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.485 -20.640 21.390 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.439 -21.371 22.560 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.877 -21.059 19.050 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.844 -21.789 20.214 1.00 0.00 H new ATOM 0 HZ PHE A 49 5.562 -21.641 18.457 1.00 0.00 H new ATOM 795 C ARG A 50 9.881 -19.990 27.591 1.00 0.00 C ATOM 796 CA ARG A 50 9.845 -21.521 27.341 1.00 0.00 C ATOM 797 CB ARG A 50 11.302 -22.071 27.377 1.00 0.00 C ATOM 798 CD ARG A 50 12.937 -24.034 27.280 1.00 0.00 C ATOM 799 CG ARG A 50 11.457 -23.601 27.243 1.00 0.00 C ATOM 800 CZ ARG A 50 14.286 -26.127 26.997 1.00 0.00 C ATOM 814 N ARG A 50 9.188 -21.839 26.050 1.00 0.00 N ATOM 815 NE ARG A 50 13.110 -25.495 27.183 1.00 0.00 N ATOM 816 NH1 ARG A 50 15.411 -25.440 26.822 1.00 0.00 N ATOM 817 NH2 ARG A 50 14.326 -27.448 26.997 1.00 0.00 N ATOM 818 O ARG A 50 9.820 -19.203 26.633 1.00 0.00 O ATOM 0 H ARG A 50 9.812 -22.271 25.369 1.00 0.00 H new ATOM 0 HA ARG A 50 9.257 -21.999 28.124 1.00 0.00 H new ATOM 0 HB2 ARG A 50 11.867 -21.598 26.574 1.00 0.00 H new ATOM 0 HB3 ARG A 50 11.762 -21.761 28.315 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.914 -24.093 28.050 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.005 -23.931 26.308 1.00 0.00 H new ATOM 0 HD2 ARG A 50 13.471 -23.555 26.460 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.391 -23.680 28.206 1.00 0.00 H new ATOM 0 HE ARG A 50 12.274 -26.073 27.263 1.00 0.00 H new ATOM 0 HH11 ARG A 50 15.392 -24.420 26.827 1.00 0.00 H new ATOM 0 HH12 ARG A 50 16.293 -25.933 26.682 1.00 0.00 H new ATOM 0 HH21 ARG A 50 13.470 -27.984 27.137 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.213 -27.931 26.857 1.00 0.00 H new ATOM 819 C PRO A 51 11.470 -17.533 28.549 1.00 0.00 C ATOM 820 CA PRO A 51 10.217 -18.124 29.241 1.00 0.00 C ATOM 821 CB PRO A 51 10.378 -18.146 30.783 1.00 0.00 C ATOM 822 CD PRO A 51 9.827 -20.381 30.118 1.00 0.00 C ATOM 823 CG PRO A 51 9.626 -19.366 31.215 1.00 0.00 C ATOM 831 N PRO A 51 9.985 -19.545 28.892 1.00 0.00 N ATOM 832 O PRO A 51 11.444 -16.419 28.026 1.00 0.00 O ATOM 0 HA PRO A 51 9.401 -17.485 28.904 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.427 -18.202 31.073 1.00 0.00 H new ATOM 0 HB3 PRO A 51 9.969 -17.244 31.239 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.001 -19.740 32.168 1.00 0.00 H new ATOM 0 HG3 PRO A 51 8.568 -19.145 31.354 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.707 -20.998 30.299 1.00 0.00 H new ATOM 0 HD3 PRO A 51 8.976 -21.057 30.036 1.00 0.00 H new ATOM 833 C ASP A 52 13.855 -18.070 26.384 1.00 0.00 C ATOM 834 CA ASP A 52 13.834 -17.916 27.928 1.00 0.00 C ATOM 835 CB ASP A 52 14.994 -18.692 28.607 1.00 0.00 C ATOM 836 CG ASP A 52 14.943 -20.217 28.400 1.00 0.00 C ATOM 841 N ASP A 52 12.547 -18.329 28.511 1.00 0.00 N ATOM 842 O ASP A 52 14.878 -17.793 25.746 1.00 0.00 O ATOM 843 OD1 ASP A 52 15.845 -20.775 27.742 1.00 0.00 O ATOM 844 OD2 ASP A 52 14.013 -20.872 28.923 1.00 0.00 O ATOM 0 H ASP A 52 12.552 -19.279 28.884 1.00 0.00 H new ATOM 0 HA ASP A 52 13.971 -16.852 28.123 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.942 -18.316 28.221 1.00 0.00 H new ATOM 0 HB3 ASP A 52 14.979 -18.482 29.676 1.00 0.00 H new ATOM 845 C ASP A 53 11.862 -17.194 23.886 1.00 0.00 C ATOM 846 CA ASP A 53 12.512 -18.511 24.335 1.00 0.00 C ATOM 847 CB ASP A 53 11.590 -19.694 23.905 1.00 0.00 C ATOM 848 CG ASP A 53 12.177 -21.103 24.097 1.00 0.00 C ATOM 853 N ASP A 53 12.721 -18.501 25.800 1.00 0.00 N ATOM 854 O ASP A 53 12.212 -16.639 22.839 1.00 0.00 O ATOM 855 OD1 ASP A 53 13.375 -21.250 24.394 1.00 0.00 O ATOM 856 OD2 ASP A 53 11.415 -22.087 23.934 1.00 0.00 O ATOM 0 H ASP A 53 11.922 -18.853 26.328 1.00 0.00 H new ATOM 0 HA ASP A 53 13.488 -18.630 23.863 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.660 -19.628 24.469 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.335 -19.567 22.853 1.00 0.00 H new ATOM 857 C LEU A 54 10.596 -14.258 24.807 1.00 0.00 C ATOM 858 CA LEU A 54 10.014 -15.592 24.350 1.00 0.00 C ATOM 859 CB LEU A 54 8.641 -15.806 25.013 1.00 0.00 C ATOM 860 CD1 LEU A 54 6.693 -17.359 25.518 1.00 0.00 C ATOM 861 CD2 LEU A 54 7.541 -17.125 23.123 1.00 0.00 C ATOM 862 CG LEU A 54 7.917 -17.124 24.624 1.00 0.00 C ATOM 874 N LEU A 54 10.898 -16.725 24.693 1.00 0.00 N ATOM 875 O LEU A 54 11.204 -14.177 25.875 1.00 0.00 O ATOM 0 H LEU A 54 10.705 -17.123 25.612 1.00 0.00 H new ATOM 0 HA LEU A 54 9.915 -15.557 23.265 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.771 -15.787 26.095 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.996 -14.966 24.755 1.00 0.00 H new ATOM 0 HG LEU A 54 8.604 -17.954 24.787 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.202 -18.288 25.227 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.010 -17.427 26.559 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.995 -16.529 25.405 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.035 -18.058 22.875 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.877 -16.286 22.914 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.445 -17.031 22.521 1.00 0.00 H new ATOM 876 C GLN A 55 10.108 -11.277 25.575 1.00 0.00 C ATOM 877 CA GLN A 55 10.807 -11.833 24.312 1.00 0.00 C ATOM 878 CB GLN A 55 10.536 -10.896 23.107 1.00 0.00 C ATOM 879 CD GLN A 55 10.592 -8.512 22.173 1.00 0.00 C ATOM 880 CG GLN A 55 10.961 -9.429 23.332 1.00 0.00 C ATOM 889 N GLN A 55 10.364 -13.207 24.003 1.00 0.00 N ATOM 890 NE2 GLN A 55 11.502 -8.341 21.231 1.00 0.00 N ATOM 891 O GLN A 55 10.762 -10.643 26.417 1.00 0.00 O ATOM 892 OE1 GLN A 55 9.496 -7.955 22.125 1.00 0.00 O ATOM 0 H GLN A 55 9.863 -13.284 23.118 1.00 0.00 H new ATOM 0 HA GLN A 55 11.878 -11.871 24.509 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.062 -11.284 22.235 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.471 -10.922 22.875 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.493 -9.058 24.244 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.039 -9.390 23.489 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.402 -8.817 21.299 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.305 -7.733 20.436 1.00 0.00 H new ATOM 893 C ALA A 56 8.539 -11.463 28.162 1.00 0.00 C ATOM 894 CA ALA A 56 7.941 -11.059 26.813 1.00 0.00 C ATOM 895 CB ALA A 56 6.493 -11.611 26.699 1.00 0.00 C ATOM 901 N ALA A 56 8.777 -11.528 25.681 1.00 0.00 N ATOM 902 O ALA A 56 8.595 -10.674 29.102 1.00 0.00 O ATOM 0 H ALA A 56 8.256 -12.060 24.984 1.00 0.00 H new ATOM 0 HA ALA A 56 7.915 -9.971 26.760 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.900 -11.253 27.541 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.045 -11.267 25.767 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.517 -12.701 26.710 1.00 0.00 H new ATOM 903 C THR A 57 10.838 -13.692 29.605 1.00 0.00 C ATOM 904 CA THR A 57 9.344 -13.425 29.424 1.00 0.00 C ATOM 905 CB THR A 57 8.549 -14.752 29.371 1.00 0.00 C ATOM 906 CG2 THR A 57 7.055 -14.480 29.332 1.00 0.00 C ATOM 914 N THR A 57 9.042 -12.692 28.195 1.00 0.00 N ATOM 915 O THR A 57 11.241 -14.419 30.525 1.00 0.00 O ATOM 916 OG1 THR A 57 8.887 -15.473 28.185 1.00 0.00 O ATOM 0 H THR A 57 9.257 -13.221 27.350 1.00 0.00 H new ATOM 0 HA THR A 57 9.052 -12.822 30.283 1.00 0.00 H new ATOM 0 HB THR A 57 8.802 -15.328 30.261 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.848 -15.665 28.182 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.514 -15.425 29.295 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.762 -13.929 30.226 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.816 -13.890 28.447 1.00 0.00 H new ATOM 917 C TYR A 58 13.694 -12.411 29.910 1.00 0.00 C ATOM 918 CA TYR A 58 13.115 -13.256 28.754 1.00 0.00 C ATOM 919 CB TYR A 58 13.698 -12.836 27.378 1.00 0.00 C ATOM 920 CD1 TYR A 58 15.434 -14.603 26.788 1.00 0.00 C ATOM 921 CD2 TYR A 58 16.216 -12.389 27.232 1.00 0.00 C ATOM 922 CE1 TYR A 58 16.733 -15.017 26.560 1.00 0.00 C ATOM 923 CE2 TYR A 58 17.514 -12.800 27.005 1.00 0.00 C ATOM 924 CG TYR A 58 15.146 -13.281 27.133 1.00 0.00 C ATOM 925 CZ TYR A 58 17.766 -14.108 26.666 1.00 0.00 C ATOM 935 N TYR A 58 11.659 -13.096 28.733 1.00 0.00 N ATOM 936 O TYR A 58 13.944 -11.211 29.753 1.00 0.00 O ATOM 937 OH TYR A 58 19.062 -14.512 26.441 1.00 0.00 O ATOM 0 H TYR A 58 11.327 -12.484 27.987 1.00 0.00 H new ATOM 0 HA TYR A 58 13.388 -14.297 28.925 1.00 0.00 H new ATOM 0 HB2 TYR A 58 13.067 -13.248 26.590 1.00 0.00 H new ATOM 0 HB3 TYR A 58 13.646 -11.751 27.293 1.00 0.00 H new ATOM 0 HD1 TYR A 58 14.627 -15.315 26.698 1.00 0.00 H new ATOM 0 HD2 TYR A 58 16.024 -11.358 27.491 1.00 0.00 H new ATOM 0 HE1 TYR A 58 16.938 -16.045 26.301 1.00 0.00 H new ATOM 0 HE2 TYR A 58 18.329 -12.096 27.093 1.00 0.00 H new ATOM 0 HH TYR A 58 19.667 -13.749 26.555 1.00 0.00 H new ATOM 938 C GLY A 59 13.105 -12.111 33.286 1.00 0.00 C ATOM 939 CA GLY A 59 14.259 -12.369 32.317 1.00 0.00 C ATOM 943 N GLY A 59 13.841 -13.050 31.083 1.00 0.00 N ATOM 944 O GLY A 59 13.261 -11.361 34.255 1.00 0.00 O ATOM 0 H GLY A 59 13.674 -14.049 31.201 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.017 -12.972 32.818 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.727 -11.419 32.059 1.00 0.00 H new ATOM 945 C ALA A 60 10.756 -13.865 34.865 1.00 0.00 C ATOM 946 CA ALA A 60 10.763 -12.664 33.912 1.00 0.00 C ATOM 947 CB ALA A 60 9.465 -12.634 33.093 1.00 0.00 C ATOM 953 N ALA A 60 11.939 -12.726 33.019 1.00 0.00 N ATOM 954 O ALA A 60 11.287 -14.935 34.527 1.00 0.00 O ATOM 0 H ALA A 60 11.783 -13.281 32.178 1.00 0.00 H new ATOM 0 HA ALA A 60 10.825 -11.748 34.499 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.610 -12.588 33.768 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.463 -11.757 32.446 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.398 -13.535 32.483 1.00 0.00 H new ATOM 955 C THR A 61 8.691 -15.554 36.775 1.00 0.00 C ATOM 956 CA THR A 61 9.989 -14.757 37.039 1.00 0.00 C ATOM 957 CB THR A 61 9.981 -14.196 38.501 1.00 0.00 C ATOM 958 CG2 THR A 61 11.378 -13.734 38.948 1.00 0.00 C ATOM 966 N THR A 61 10.150 -13.686 36.049 1.00 0.00 N ATOM 967 O THR A 61 7.727 -14.998 36.229 1.00 0.00 O ATOM 968 OG1 THR A 61 9.044 -13.117 38.608 1.00 0.00 O ATOM 0 H THR A 61 9.758 -12.792 36.345 1.00 0.00 H new ATOM 0 HA THR A 61 10.845 -15.424 36.936 1.00 0.00 H new ATOM 0 HB THR A 61 9.678 -15.007 39.164 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.044 -12.773 39.526 1.00 0.00 H new ATOM 0 HG21 THR A 61 11.326 -13.352 39.968 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.069 -14.576 38.911 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.731 -12.946 38.283 1.00 0.00 H new ATOM 969 C PRO A 62 6.161 -17.146 37.643 1.00 0.00 C ATOM 970 CA PRO A 62 7.462 -17.756 37.063 1.00 0.00 C ATOM 971 CB PRO A 62 7.892 -19.003 37.874 1.00 0.00 C ATOM 972 CD PRO A 62 9.821 -17.622 37.757 1.00 0.00 C ATOM 973 CG PRO A 62 9.375 -19.054 37.707 1.00 0.00 C ATOM 981 N PRO A 62 8.661 -16.872 37.178 1.00 0.00 N ATOM 982 O PRO A 62 5.064 -17.449 37.177 1.00 0.00 O ATOM 0 HA PRO A 62 7.205 -17.948 36.021 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.612 -18.912 38.924 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.417 -19.908 37.495 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.841 -19.640 38.499 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.650 -19.520 36.761 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.035 -17.304 38.777 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.730 -17.465 37.177 1.00 0.00 H new ATOM 983 C GLU A 63 4.414 -14.706 38.433 1.00 0.00 C ATOM 984 CA GLU A 63 5.244 -15.590 39.374 1.00 0.00 C ATOM 985 CB GLU A 63 5.835 -14.716 40.522 1.00 0.00 C ATOM 986 CD GLU A 63 6.659 -16.741 41.894 1.00 0.00 C ATOM 987 CG GLU A 63 7.003 -15.364 41.296 1.00 0.00 C ATOM 994 N GLU A 63 6.339 -16.262 38.639 1.00 0.00 N ATOM 995 O GLU A 63 3.178 -14.696 38.470 1.00 0.00 O ATOM 996 OE1 GLU A 63 6.933 -17.779 41.243 1.00 0.00 O ATOM 997 OE2 GLU A 63 6.101 -16.801 43.010 1.00 0.00 O ATOM 0 H GLU A 63 7.265 -15.986 38.965 1.00 0.00 H new ATOM 0 HA GLU A 63 4.594 -16.358 39.794 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.178 -13.771 40.100 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.038 -14.480 41.227 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.856 -15.471 40.626 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.311 -14.695 42.100 1.00 0.00 H new ATOM 998 C GLN A 64 3.931 -13.764 35.414 1.00 0.00 C ATOM 999 CA GLN A 64 4.583 -13.028 36.608 1.00 0.00 C ATOM 1000 CB GLN A 64 5.716 -12.105 36.111 1.00 0.00 C ATOM 1001 CD GLN A 64 7.668 -10.545 36.673 1.00 0.00 C ATOM 1002 CG GLN A 64 6.538 -11.423 37.222 1.00 0.00 C ATOM 1011 N GLN A 64 5.147 -13.979 37.584 1.00 0.00 N ATOM 1012 NE2 GLN A 64 7.393 -9.263 36.463 1.00 0.00 N ATOM 1013 O GLN A 64 3.164 -13.177 34.645 1.00 0.00 O ATOM 1014 OE1 GLN A 64 8.771 -11.013 36.431 1.00 0.00 O ATOM 0 H GLN A 64 6.165 -14.032 37.551 1.00 0.00 H new ATOM 0 HA GLN A 64 3.803 -12.441 37.093 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.392 -12.689 35.487 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.282 -11.333 35.475 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.875 -10.812 37.835 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.962 -12.186 37.874 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.464 -8.900 36.674 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.111 -8.642 36.091 1.00 0.00 H new ATOM 1015 C LEU A 65 2.580 -16.772 34.715 1.00 0.00 C ATOM 1016 CA LEU A 65 3.768 -15.938 34.198 1.00 0.00 C ATOM 1017 CB LEU A 65 4.935 -16.858 33.743 1.00 0.00 C ATOM 1018 CD1 LEU A 65 7.385 -17.087 33.005 1.00 0.00 C ATOM 1019 CD2 LEU A 65 6.092 -14.919 32.560 1.00 0.00 C ATOM 1020 CG LEU A 65 6.290 -16.125 33.500 1.00 0.00 C ATOM 1032 N LEU A 65 4.253 -15.062 35.287 1.00 0.00 N ATOM 1033 O LEU A 65 2.202 -17.786 34.125 1.00 0.00 O ATOM 0 H LEU A 65 4.866 -15.543 35.945 1.00 0.00 H new ATOM 0 HA LEU A 65 3.432 -15.346 33.347 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.086 -17.630 34.498 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.642 -17.365 32.823 1.00 0.00 H new ATOM 0 HG LEU A 65 6.643 -15.739 34.457 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.311 -16.534 32.849 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.548 -17.866 33.749 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.072 -17.543 32.066 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.048 -14.420 32.402 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.700 -15.264 31.603 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.387 -14.219 33.009 1.00 0.00 H new ATOM 1034 C ARG A 66 -0.325 -15.832 36.176 1.00 0.00 C ATOM 1035 CA ARG A 66 0.771 -16.878 36.401 1.00 0.00 C ATOM 1036 CB ARG A 66 0.948 -17.185 37.908 1.00 0.00 C ATOM 1037 CD ARG A 66 1.968 -19.500 37.502 1.00 0.00 C ATOM 1038 CG ARG A 66 2.109 -18.154 38.226 1.00 0.00 C ATOM 1039 CZ ARG A 66 2.892 -21.804 37.697 1.00 0.00 C ATOM 1053 N ARG A 66 2.018 -16.344 35.852 1.00 0.00 N ATOM 1054 NE ARG A 66 2.984 -20.486 37.916 1.00 0.00 N ATOM 1055 NH1 ARG A 66 1.841 -22.308 37.062 1.00 0.00 N ATOM 1056 NH2 ARG A 66 3.847 -22.614 38.118 1.00 0.00 N ATOM 1057 O ARG A 66 -1.431 -16.139 35.711 1.00 0.00 O ATOM 0 H ARG A 66 2.426 -15.604 36.424 1.00 0.00 H new ATOM 0 HA ARG A 66 0.496 -17.809 35.906 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.115 -16.249 38.441 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.020 -17.609 38.292 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.053 -17.690 37.942 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.150 -18.326 39.302 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.975 -19.907 37.694 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.044 -19.338 36.427 1.00 0.00 H new ATOM 0 HE ARG A 66 3.812 -20.141 38.402 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.097 -21.690 36.737 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.777 -23.313 36.899 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.656 -22.236 38.611 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.775 -23.618 37.950 1.00 0.00 H new ATOM 1058 C GLU A 67 -0.676 -12.916 34.830 1.00 0.00 C ATOM 1059 CA GLU A 67 -0.839 -13.412 36.278 1.00 0.00 C ATOM 1060 CB GLU A 67 -0.586 -12.318 37.357 1.00 0.00 C ATOM 1061 CD GLU A 67 1.050 -11.175 38.969 1.00 0.00 C ATOM 1062 CG GLU A 67 0.894 -12.056 37.718 1.00 0.00 C ATOM 1069 N GLU A 67 0.023 -14.574 36.507 1.00 0.00 N ATOM 1070 O GLU A 67 0.187 -12.092 34.500 1.00 0.00 O ATOM 1071 OE1 GLU A 67 1.346 -9.970 38.846 1.00 0.00 O ATOM 1072 OE2 GLU A 67 0.834 -11.687 40.092 1.00 0.00 O ATOM 0 H GLU A 67 0.915 -14.340 36.942 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.886 -13.695 36.390 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.026 -11.383 37.009 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.117 -12.602 38.266 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.398 -13.008 37.883 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.390 -11.575 36.875 1.00 0.00 H new ATOM 1073 C ILE A 68 -2.921 -12.979 32.033 1.00 0.00 C ATOM 1074 CA ILE A 68 -1.500 -13.353 32.521 1.00 0.00 C ATOM 1075 CB ILE A 68 -1.032 -14.715 31.860 1.00 0.00 C ATOM 1076 CD1 ILE A 68 0.941 -16.382 31.684 1.00 0.00 C ATOM 1077 CG1 ILE A 68 0.498 -14.988 32.085 1.00 0.00 C ATOM 1078 CG2 ILE A 68 -1.346 -14.778 30.353 1.00 0.00 C ATOM 1090 N ILE A 68 -1.519 -13.507 33.975 1.00 0.00 N ATOM 1091 O ILE A 68 -3.916 -13.455 32.581 1.00 0.00 O ATOM 0 H ILE A 68 -2.262 -14.130 34.293 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.806 -12.563 32.235 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.605 -15.493 32.364 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.074 -14.257 31.517 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.734 -14.832 33.138 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.005 -15.731 29.950 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.421 -14.684 30.201 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.834 -13.963 29.840 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.009 -16.492 31.870 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.393 -17.120 32.269 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.739 -16.537 30.624 1.00 0.00 H new ATOM 1092 C GLU A 69 -4.118 -12.108 28.824 1.00 0.00 C ATOM 1093 CA GLU A 69 -4.236 -11.742 30.320 1.00 0.00 C ATOM 1094 CB GLU A 69 -4.455 -10.214 30.496 1.00 0.00 C ATOM 1095 CD GLU A 69 -5.785 -8.119 29.876 1.00 0.00 C ATOM 1096 CG GLU A 69 -5.731 -9.652 29.848 1.00 0.00 C ATOM 1103 N GLU A 69 -2.985 -12.125 31.000 1.00 0.00 N ATOM 1104 O GLU A 69 -3.014 -12.286 28.334 1.00 0.00 O ATOM 1105 OE1 GLU A 69 -6.574 -7.546 30.658 1.00 0.00 O ATOM 1106 OE2 GLU A 69 -5.039 -7.482 29.100 1.00 0.00 O ATOM 0 H GLU A 69 -2.159 -11.674 30.607 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.088 -12.271 30.748 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.479 -9.988 31.562 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.595 -9.690 30.079 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.790 -9.994 28.815 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.603 -10.051 30.366 1.00 0.00 H new ATOM 1107 C ILE A 70 -5.076 -11.039 25.950 1.00 0.00 C ATOM 1108 CA ILE A 70 -5.279 -12.420 26.635 1.00 0.00 C ATOM 1109 CB ILE A 70 -6.629 -13.121 26.167 1.00 0.00 C ATOM 1110 CD1 ILE A 70 -5.594 -15.482 26.577 1.00 0.00 C ATOM 1111 CG1 ILE A 70 -6.763 -14.539 26.829 1.00 0.00 C ATOM 1112 CG2 ILE A 70 -6.765 -13.209 24.615 1.00 0.00 C ATOM 1124 N ILE A 70 -5.257 -12.247 28.114 1.00 0.00 N ATOM 1125 O ILE A 70 -5.414 -10.003 26.536 1.00 0.00 O ATOM 0 H ILE A 70 -6.184 -12.243 28.540 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.462 -13.076 26.334 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.451 -12.490 26.506 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.881 -14.411 27.905 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.675 -15.010 26.462 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.706 -13.697 24.359 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.750 -12.205 24.191 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.935 -13.787 24.209 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.781 -16.434 27.074 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -5.485 -15.648 25.505 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.679 -15.040 26.971 1.00 0.00 H new ATOM 1126 C SER A 71 -5.339 -8.842 23.787 1.00 0.00 C ATOM 1127 CA SER A 71 -4.144 -9.811 23.967 1.00 0.00 C ATOM 1128 CB SER A 71 -3.591 -10.199 22.578 1.00 0.00 C ATOM 1134 N SER A 71 -4.496 -11.040 24.725 1.00 0.00 N ATOM 1135 O SER A 71 -6.498 -9.283 23.777 1.00 0.00 O ATOM 1136 OG SER A 71 -4.544 -10.939 21.829 1.00 0.00 O ATOM 0 H SER A 71 -4.257 -11.899 24.230 1.00 0.00 H new ATOM 0 HA SER A 71 -3.390 -9.286 24.553 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.315 -9.298 22.030 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.683 -10.789 22.698 1.00 0.00 H new ATOM 0 HG SER A 71 -4.665 -11.822 22.236 1.00 0.00 H new ATOM 1137 C PRO A 72 -6.797 -6.739 21.933 1.00 0.00 C ATOM 1138 CA PRO A 72 -6.136 -6.505 23.316 1.00 0.00 C ATOM 1139 CB PRO A 72 -5.370 -5.159 23.373 1.00 0.00 C ATOM 1140 CD PRO A 72 -3.726 -6.846 23.693 1.00 0.00 C ATOM 1141 CG PRO A 72 -3.965 -5.524 23.011 1.00 0.00 C ATOM 1149 N PRO A 72 -5.071 -7.503 23.611 1.00 0.00 N ATOM 1150 O PRO A 72 -7.882 -6.217 21.659 1.00 0.00 O ATOM 0 HA PRO A 72 -6.970 -6.555 24.016 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.786 -4.433 22.674 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.423 -4.712 24.366 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.843 -5.608 21.931 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.259 -4.768 23.354 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.958 -7.430 23.187 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.400 -6.717 24.725 1.00 0.00 H new ATOM 1151 C SER A 73 -7.432 -9.259 19.863 1.00 0.00 C ATOM 1152 CA SER A 73 -6.645 -7.932 19.760 1.00 0.00 C ATOM 1153 CB SER A 73 -5.478 -8.079 18.767 1.00 0.00 C ATOM 1159 N SER A 73 -6.119 -7.516 21.073 1.00 0.00 N ATOM 1160 O SER A 73 -8.156 -9.619 18.933 1.00 0.00 O ATOM 1161 OG SER A 73 -4.700 -6.891 18.722 1.00 0.00 O ATOM 0 H SER A 73 -5.185 -7.876 21.269 1.00 0.00 H new ATOM 0 HA SER A 73 -7.335 -7.167 19.404 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.849 -8.920 19.060 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.866 -8.302 17.773 1.00 0.00 H new ATOM 0 HG SER A 73 -4.310 -6.789 17.829 1.00 0.00 H new ATOM 1162 C GLY A 74 -7.315 -12.456 20.500 1.00 0.00 C ATOM 1163 CA GLY A 74 -7.944 -11.269 21.235 1.00 0.00 C ATOM 1167 N GLY A 74 -7.256 -9.988 20.990 1.00 0.00 N ATOM 1168 O GLY A 74 -7.821 -13.581 20.585 1.00 0.00 O ATOM 0 H GLY A 74 -6.636 -9.703 21.748 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.942 -11.473 22.306 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.986 -11.175 20.930 1.00 0.00 H new ATOM 1169 C LEU A 75 -4.507 -13.931 20.089 1.00 0.00 C ATOM 1170 CA LEU A 75 -5.441 -13.246 19.089 1.00 0.00 C ATOM 1171 CB LEU A 75 -4.625 -12.665 17.898 1.00 0.00 C ATOM 1172 CD1 LEU A 75 -4.530 -11.571 15.602 1.00 0.00 C ATOM 1173 CD2 LEU A 75 -6.395 -13.209 16.130 1.00 0.00 C ATOM 1174 CG LEU A 75 -5.454 -12.124 16.699 1.00 0.00 C ATOM 1186 N LEU A 75 -6.204 -12.203 19.777 1.00 0.00 N ATOM 1187 O LEU A 75 -4.771 -15.045 20.520 1.00 0.00 O ATOM 0 H LEU A 75 -5.817 -11.267 19.659 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.141 -13.974 18.680 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.998 -11.857 18.274 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.956 -13.442 17.529 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.075 -11.307 17.067 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.132 -11.198 14.773 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.929 -10.758 16.009 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.873 -12.364 15.245 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.960 -12.798 15.293 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.805 -14.059 15.787 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.085 -13.537 16.908 1.00 0.00 H new ATOM 1188 C GLY A 76 -2.604 -13.530 22.774 1.00 0.00 C ATOM 1189 CA GLY A 76 -2.380 -13.792 21.315 1.00 0.00 C ATOM 1193 N GLY A 76 -3.426 -13.226 20.471 1.00 0.00 N ATOM 1194 O GLY A 76 -3.719 -13.705 23.283 1.00 0.00 O ATOM 0 H GLY A 76 -3.262 -12.256 20.201 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.327 -14.868 21.148 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.417 -13.376 21.020 1.00 0.00 H new ATOM 1195 C VAL A 77 -1.057 -11.427 25.183 1.00 0.00 C ATOM 1196 CA VAL A 77 -1.557 -12.844 24.877 1.00 0.00 C ATOM 1197 CB VAL A 77 -0.655 -13.925 25.590 1.00 0.00 C ATOM 1198 CG1 VAL A 77 0.816 -13.499 25.678 1.00 0.00 C ATOM 1199 CG2 VAL A 77 -1.211 -14.293 26.962 1.00 0.00 C ATOM 1209 N VAL A 77 -1.556 -13.057 23.440 1.00 0.00 N ATOM 1210 O VAL A 77 -0.425 -10.795 24.334 1.00 0.00 O ATOM 0 H VAL A 77 -0.675 -12.809 22.990 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.573 -12.949 25.259 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.683 -14.818 24.965 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.391 -14.279 26.177 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.210 -13.343 24.674 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.893 -12.572 26.246 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.567 -15.040 27.427 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.248 -13.403 27.590 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.216 -14.700 26.850 1.00 0.00 H new ATOM 1211 C TYR A 78 -0.431 -9.972 28.403 1.00 0.00 C ATOM 1212 CA TYR A 78 -0.797 -9.713 26.936 1.00 0.00 C ATOM 1213 CB TYR A 78 -1.789 -8.523 26.815 1.00 0.00 C ATOM 1214 CD1 TYR A 78 -1.657 -6.553 28.458 1.00 0.00 C ATOM 1215 CD2 TYR A 78 -0.152 -6.569 26.596 1.00 0.00 C ATOM 1216 CE1 TYR A 78 -1.097 -5.366 28.898 1.00 0.00 C ATOM 1217 CE2 TYR A 78 0.405 -5.381 27.033 1.00 0.00 C ATOM 1218 CG TYR A 78 -1.197 -7.183 27.295 1.00 0.00 C ATOM 1219 CZ TYR A 78 -0.072 -4.785 28.185 1.00 0.00 C ATOM 1229 N TYR A 78 -1.366 -10.941 26.383 1.00 0.00 N ATOM 1230 O TYR A 78 -1.307 -10.057 29.275 1.00 0.00 O ATOM 1231 OH TYR A 78 0.483 -3.600 28.628 1.00 0.00 O ATOM 0 H TYR A 78 -2.030 -11.397 27.009 1.00 0.00 H new ATOM 0 HA TYR A 78 0.094 -9.439 26.371 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.100 -8.423 25.775 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.684 -8.745 27.396 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.462 -7.001 29.021 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.227 -7.032 25.697 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -1.463 -4.896 29.799 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.209 -4.921 26.477 1.00 0.00 H new ATOM 0 HH TYR A 78 1.195 -3.323 28.014 1.00 0.00 H new ATOM 1232 C PHE A 79 1.514 -8.838 30.604 1.00 0.00 C ATOM 1233 CA PHE A 79 1.392 -10.250 30.032 1.00 0.00 C ATOM 1234 CB PHE A 79 2.750 -10.992 30.085 1.00 0.00 C ATOM 1235 CD1 PHE A 79 1.636 -13.149 29.409 1.00 0.00 C ATOM 1236 CD2 PHE A 79 3.884 -12.952 29.013 1.00 0.00 C ATOM 1237 CE1 PHE A 79 1.659 -14.416 28.861 1.00 0.00 C ATOM 1238 CE2 PHE A 79 3.904 -14.218 28.469 1.00 0.00 C ATOM 1239 CG PHE A 79 2.750 -12.399 29.495 1.00 0.00 C ATOM 1240 CZ PHE A 79 2.792 -14.941 28.387 1.00 0.00 C ATOM 1250 N PHE A 79 0.872 -10.144 28.663 1.00 0.00 N ATOM 1251 O PHE A 79 2.501 -8.126 30.366 1.00 0.00 O ATOM 0 H PHE A 79 1.588 -10.213 27.939 1.00 0.00 H new ATOM 0 HA PHE A 79 0.701 -10.842 30.632 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.492 -10.394 29.556 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.072 -11.052 31.125 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.702 -12.751 29.777 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.802 -12.385 29.055 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.746 -14.992 28.815 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.835 -14.628 28.105 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.804 -15.928 27.948 1.00 0.00 H new ATOM 1252 C GLU A 80 1.405 -6.770 32.860 1.00 0.00 C ATOM 1253 CA GLU A 80 0.275 -7.098 31.876 1.00 0.00 C ATOM 1254 CB GLU A 80 -1.143 -6.999 32.542 1.00 0.00 C ATOM 1255 CD GLU A 80 -0.985 -5.196 34.427 1.00 0.00 C ATOM 1256 CG GLU A 80 -1.581 -5.594 33.057 1.00 0.00 C ATOM 1263 N GLU A 80 0.463 -8.455 31.325 1.00 0.00 N ATOM 1264 O GLU A 80 1.974 -5.672 32.833 1.00 0.00 O ATOM 1265 OE1 GLU A 80 -0.131 -4.286 34.496 1.00 0.00 O ATOM 1266 OE2 GLU A 80 -1.375 -5.807 35.446 1.00 0.00 O ATOM 0 H GLU A 80 -0.304 -9.088 31.553 1.00 0.00 H new ATOM 0 HA GLU A 80 0.320 -6.358 31.077 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.883 -7.341 31.818 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.173 -7.693 33.382 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.293 -4.845 32.319 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.668 -5.570 33.128 1.00 0.00 H new ATOM 1267 C THR A 81 4.178 -7.360 34.080 1.00 0.00 C ATOM 1268 CA THR A 81 2.798 -7.686 34.706 1.00 0.00 C ATOM 1269 CB THR A 81 2.862 -9.039 35.480 1.00 0.00 C ATOM 1270 CG2 THR A 81 3.758 -8.961 36.730 1.00 0.00 C ATOM 1278 N THR A 81 1.736 -7.766 33.693 1.00 0.00 N ATOM 1279 O THR A 81 5.014 -6.688 34.696 1.00 0.00 O ATOM 1280 OG1 THR A 81 1.529 -9.416 35.870 1.00 0.00 O ATOM 0 H THR A 81 1.263 -8.670 33.681 1.00 0.00 H new ATOM 0 HA THR A 81 2.559 -6.871 35.390 1.00 0.00 H new ATOM 0 HB THR A 81 3.299 -9.783 34.814 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.471 -9.449 36.848 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.768 -9.929 37.232 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.773 -8.695 36.434 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.368 -8.204 37.410 1.00 0.00 H new ATOM 1281 C LEU A 82 5.582 -6.398 31.198 1.00 0.00 C ATOM 1282 CA LEU A 82 5.652 -7.640 32.094 1.00 0.00 C ATOM 1283 CB LEU A 82 5.945 -8.896 31.228 1.00 0.00 C ATOM 1284 CD1 LEU A 82 6.306 -11.428 31.090 1.00 0.00 C ATOM 1285 CD2 LEU A 82 6.679 -10.243 33.273 1.00 0.00 C ATOM 1286 CG LEU A 82 5.868 -10.261 31.978 1.00 0.00 C ATOM 1298 N LEU A 82 4.391 -7.838 32.840 1.00 0.00 N ATOM 1299 O LEU A 82 6.616 -5.966 30.650 1.00 0.00 O ATOM 0 H LEU A 82 3.693 -8.374 32.324 1.00 0.00 H new ATOM 0 HA LEU A 82 6.455 -7.490 32.815 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.238 -8.917 30.398 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.941 -8.794 30.796 1.00 0.00 H new ATOM 0 HG LEU A 82 4.820 -10.412 32.237 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.237 -12.359 31.652 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.658 -11.483 30.216 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.336 -11.274 30.769 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.600 -11.212 33.766 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.725 -10.037 33.045 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.292 -9.467 33.934 1.00 0.00 H new ATOM 1300 C GLU A 83 4.326 -5.141 28.660 1.00 0.00 C ATOM 1301 CA GLU A 83 4.029 -4.744 30.122 1.00 0.00 C ATOM 1302 CB GLU A 83 4.812 -3.460 30.534 1.00 0.00 C ATOM 1303 CD GLU A 83 5.493 -1.867 32.424 1.00 0.00 C ATOM 1304 CG GLU A 83 4.534 -2.980 31.972 1.00 0.00 C ATOM 1311 N GLU A 83 4.345 -5.864 31.033 1.00 0.00 N ATOM 1312 O GLU A 83 4.569 -4.285 27.805 1.00 0.00 O ATOM 1313 OE1 GLU A 83 6.443 -2.153 33.186 1.00 0.00 O ATOM 1314 OE2 GLU A 83 5.310 -0.701 32.013 1.00 0.00 O ATOM 0 H GLU A 83 3.529 -6.208 31.539 1.00 0.00 H new ATOM 0 HA GLU A 83 2.965 -4.520 30.200 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.880 -3.650 30.427 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.560 -2.657 29.841 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.508 -2.618 32.037 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.618 -3.825 32.655 1.00 0.00 H new ATOM 1315 C GLU A 84 3.633 -8.085 26.645 1.00 0.00 C ATOM 1316 CA GLU A 84 4.640 -7.022 27.080 1.00 0.00 C ATOM 1317 CB GLU A 84 6.073 -7.627 27.157 1.00 0.00 C ATOM 1318 CD GLU A 84 6.819 -6.567 24.939 1.00 0.00 C ATOM 1319 CG GLU A 84 6.746 -7.847 25.788 1.00 0.00 C ATOM 1326 N GLU A 84 4.254 -6.456 28.380 1.00 0.00 N ATOM 1327 O GLU A 84 2.998 -8.730 27.478 1.00 0.00 O ATOM 1328 OE1 GLU A 84 7.650 -5.692 25.249 1.00 0.00 O ATOM 1329 OE2 GLU A 84 6.043 -6.427 23.968 1.00 0.00 O ATOM 0 H GLU A 84 3.927 -7.152 29.050 1.00 0.00 H new ATOM 0 HA GLU A 84 4.642 -6.223 26.338 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.701 -6.967 27.755 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.024 -8.581 27.681 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.754 -8.231 25.943 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.195 -8.610 25.238 1.00 0.00 H new ATOM 1330 C ASP A 85 3.388 -10.360 24.042 1.00 0.00 C ATOM 1331 CA ASP A 85 2.591 -9.247 24.734 1.00 0.00 C ATOM 1332 CB ASP A 85 1.655 -8.527 23.725 1.00 0.00 C ATOM 1333 CG ASP A 85 2.400 -7.960 22.504 1.00 0.00 C ATOM 1338 N ASP A 85 3.509 -8.271 25.332 1.00 0.00 N ATOM 1339 O ASP A 85 4.608 -10.249 23.859 1.00 0.00 O ATOM 1340 OD1 ASP A 85 3.032 -6.894 22.637 1.00 0.00 O ATOM 1341 OD2 ASP A 85 2.361 -8.579 21.415 1.00 0.00 O ATOM 0 H ASP A 85 4.047 -7.744 24.644 1.00 0.00 H new ATOM 0 HA ASP A 85 1.980 -9.701 25.514 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.892 -9.227 23.384 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.137 -7.715 24.236 1.00 0.00 H new ATOM 1342 C VAL A 86 2.145 -12.799 21.771 1.00 0.00 C ATOM 1343 CA VAL A 86 3.217 -12.516 22.834 1.00 0.00 C ATOM 1344 CB VAL A 86 3.583 -13.855 23.606 1.00 0.00 C ATOM 1345 CG1 VAL A 86 4.324 -14.837 22.688 1.00 0.00 C ATOM 1346 CG2 VAL A 86 4.410 -13.599 24.876 1.00 0.00 C ATOM 1356 N VAL A 86 2.688 -11.450 23.697 1.00 0.00 N ATOM 1357 O VAL A 86 1.086 -13.365 22.082 1.00 0.00 O ATOM 0 H VAL A 86 1.732 -11.618 24.011 1.00 0.00 H new ATOM 0 HA VAL A 86 4.157 -12.173 22.401 1.00 0.00 H new ATOM 0 HB VAL A 86 2.636 -14.298 23.915 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.562 -15.745 23.243 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.691 -15.088 21.837 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.246 -14.377 22.332 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.632 -14.548 25.363 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.343 -13.102 24.609 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.843 -12.965 25.558 1.00 0.00 H new ATOM 1358 C SER A 87 1.226 -13.919 19.043 1.00 0.00 C ATOM 1359 CA SER A 87 1.478 -12.450 19.406 1.00 0.00 C ATOM 1360 CB SER A 87 2.038 -11.686 18.184 1.00 0.00 C ATOM 1366 N SER A 87 2.413 -12.344 20.534 1.00 0.00 N ATOM 1367 O SER A 87 2.177 -14.704 18.932 1.00 0.00 O ATOM 1368 OG SER A 87 1.149 -11.736 17.074 1.00 0.00 O ATOM 0 H SER A 87 3.293 -11.889 20.290 1.00 0.00 H new ATOM 0 HA SER A 87 0.528 -12.004 19.701 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.219 -10.647 18.458 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.000 -12.113 17.899 1.00 0.00 H new ATOM 0 HG SER A 87 1.536 -11.241 16.322 1.00 0.00 H new ATOM 1369 C LEU A 88 0.057 -15.966 17.091 1.00 0.00 C ATOM 1370 CA LEU A 88 -0.457 -15.640 18.484 1.00 0.00 C ATOM 1371 CB LEU A 88 -1.984 -15.807 18.496 1.00 0.00 C ATOM 1372 CD1 LEU A 88 -2.019 -18.109 19.582 1.00 0.00 C ATOM 1373 CD2 LEU A 88 -4.038 -17.282 18.236 1.00 0.00 C ATOM 1374 CG LEU A 88 -2.502 -17.264 18.377 1.00 0.00 C ATOM 1386 N LEU A 88 -0.059 -14.277 18.863 1.00 0.00 N ATOM 1387 O LEU A 88 0.635 -17.024 16.869 1.00 0.00 O ATOM 0 H LEU A 88 -0.842 -13.634 18.976 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.023 -16.321 19.217 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.371 -15.378 19.420 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.401 -15.224 17.675 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.089 -17.716 17.475 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.391 -19.129 19.484 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.929 -18.121 19.605 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.396 -17.673 20.507 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.384 -18.312 18.154 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.489 -16.817 19.112 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.328 -16.730 17.342 1.00 0.00 H new ATOM 1388 C ILE A 89 1.804 -15.332 14.762 1.00 0.00 C ATOM 1389 CA ILE A 89 0.290 -15.090 14.775 1.00 0.00 C ATOM 1390 CB ILE A 89 -0.045 -13.778 13.970 1.00 0.00 C ATOM 1391 CD1 ILE A 89 -2.517 -14.483 13.501 1.00 0.00 C ATOM 1392 CG1 ILE A 89 -1.570 -13.430 14.057 1.00 0.00 C ATOM 1393 CG2 ILE A 89 0.422 -13.886 12.496 1.00 0.00 C ATOM 1405 N ILE A 89 -0.172 -15.009 16.168 1.00 0.00 N ATOM 1406 O ILE A 89 2.299 -16.180 14.021 1.00 0.00 O ATOM 0 H ILE A 89 -0.687 -14.153 16.375 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.231 -15.916 14.291 1.00 0.00 H new ATOM 0 HB ILE A 89 0.507 -12.960 14.432 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.825 -13.253 15.102 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.742 -12.495 13.524 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.176 -12.965 11.968 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.500 -14.044 12.467 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.081 -14.725 12.015 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.546 -14.141 13.611 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.300 -14.647 12.445 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.384 -15.417 14.048 1.00 0.00 H new ATOM 1407 C GLY A 90 4.279 -16.231 16.238 1.00 0.00 C ATOM 1408 CA GLY A 90 3.927 -14.786 15.871 1.00 0.00 C ATOM 1412 N GLY A 90 2.501 -14.603 15.653 1.00 0.00 N ATOM 1413 O GLY A 90 5.110 -16.848 15.581 1.00 0.00 O ATOM 0 H GLY A 90 2.083 -13.876 16.234 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.470 -14.500 14.970 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.259 -14.120 16.668 1.00 0.00 H new ATOM 1414 C LEU A 91 3.585 -19.215 16.646 1.00 0.00 C ATOM 1415 CA LEU A 91 3.825 -18.162 17.742 1.00 0.00 C ATOM 1416 CB LEU A 91 2.925 -18.447 18.972 1.00 0.00 C ATOM 1417 CD1 LEU A 91 2.240 -17.927 21.384 1.00 0.00 C ATOM 1418 CD2 LEU A 91 4.699 -17.766 20.679 1.00 0.00 C ATOM 1419 CG LEU A 91 3.225 -17.596 20.242 1.00 0.00 C ATOM 1431 N LEU A 91 3.575 -16.789 17.239 1.00 0.00 N ATOM 1432 O LEU A 91 4.326 -20.200 16.540 1.00 0.00 O ATOM 0 H LEU A 91 2.818 -16.307 17.724 1.00 0.00 H new ATOM 0 HA LEU A 91 4.871 -18.228 18.040 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.886 -18.283 18.685 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.021 -19.501 19.233 1.00 0.00 H new ATOM 0 HG LEU A 91 3.077 -16.545 19.992 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.476 -17.317 22.256 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.221 -17.716 21.058 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.327 -18.982 21.645 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.887 -17.163 21.567 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.893 -18.815 20.904 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.357 -17.440 19.874 1.00 0.00 H new ATOM 1433 C LEU A 92 3.283 -19.798 13.601 1.00 0.00 C ATOM 1434 CA LEU A 92 2.184 -19.834 14.690 1.00 0.00 C ATOM 1435 CB LEU A 92 0.815 -19.377 14.109 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -1.640 -18.712 14.490 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -0.736 -20.866 15.528 1.00 0.00 C ATOM 1438 CG LEU A 92 -0.404 -19.420 15.093 1.00 0.00 C ATOM 1450 N LEU A 92 2.551 -18.971 15.823 1.00 0.00 N ATOM 1451 O LEU A 92 3.632 -20.833 13.027 1.00 0.00 O ATOM 0 H LEU A 92 1.941 -18.160 15.928 1.00 0.00 H new ATOM 0 HA LEU A 92 2.093 -20.863 15.039 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.922 -18.357 13.741 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.582 -20.003 13.248 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.117 -18.872 15.990 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.468 -18.760 15.198 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.398 -17.669 14.285 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.927 -19.207 13.562 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.586 -20.855 16.210 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.983 -21.463 14.650 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.127 -21.302 16.032 1.00 0.00 H new ATOM 1452 C GLU A 93 6.317 -18.712 12.881 1.00 0.00 C ATOM 1453 CA GLU A 93 4.906 -18.386 12.334 1.00 0.00 C ATOM 1454 CB GLU A 93 4.863 -16.919 11.816 1.00 0.00 C ATOM 1455 CD GLU A 93 3.102 -17.386 9.985 1.00 0.00 C ATOM 1456 CG GLU A 93 3.527 -16.495 11.166 1.00 0.00 C ATOM 1463 N GLU A 93 3.849 -18.598 13.355 1.00 0.00 N ATOM 1464 O GLU A 93 7.293 -18.702 12.119 1.00 0.00 O ATOM 1465 OE1 GLU A 93 2.115 -18.145 10.110 1.00 0.00 O ATOM 1466 OE2 GLU A 93 3.761 -17.331 8.924 1.00 0.00 O ATOM 0 H GLU A 93 3.589 -17.748 13.855 1.00 0.00 H new ATOM 0 HA GLU A 93 4.706 -19.071 11.510 1.00 0.00 H new ATOM 0 HB2 GLU A 93 5.073 -16.249 12.650 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.663 -16.783 11.088 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.743 -16.513 11.923 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.613 -15.465 10.820 1.00 0.00 H new ATOM 1467 C GLY A 94 8.401 -17.981 15.369 1.00 0.00 C ATOM 1468 CA GLY A 94 7.710 -19.250 14.858 1.00 0.00 C ATOM 1472 N GLY A 94 6.419 -18.983 14.199 1.00 0.00 N ATOM 1473 O GLY A 94 9.482 -18.047 15.976 1.00 0.00 O ATOM 0 H GLY A 94 5.617 -19.022 14.828 1.00 0.00 H new ATOM 0 HA2 GLY A 94 7.550 -19.931 15.694 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.371 -19.758 14.156 1.00 0.00 H new ATOM 1474 C ARG A 95 7.947 -15.343 17.084 1.00 0.00 C ATOM 1475 CA ARG A 95 8.214 -15.493 15.553 1.00 0.00 C ATOM 1476 CB ARG A 95 7.443 -14.407 14.739 1.00 0.00 C ATOM 1477 CD ARG A 95 9.086 -12.685 13.778 1.00 0.00 C ATOM 1478 CG ARG A 95 8.003 -12.966 14.832 1.00 0.00 C ATOM 1479 CZ ARG A 95 9.110 -13.045 11.295 1.00 0.00 C ATOM 1493 N ARG A 95 7.770 -16.824 15.104 1.00 0.00 N ATOM 1494 NE ARG A 95 8.508 -12.646 12.420 1.00 0.00 N ATOM 1495 NH1 ARG A 95 10.332 -13.562 11.319 1.00 0.00 N ATOM 1496 NH2 ARG A 95 8.470 -12.923 10.143 1.00 0.00 N ATOM 1497 O ARG A 95 6.923 -14.786 17.507 1.00 0.00 O ATOM 0 H ARG A 95 6.911 -16.788 14.555 1.00 0.00 H new ATOM 0 HA ARG A 95 9.283 -15.369 15.382 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.434 -14.705 13.691 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.407 -14.396 15.076 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.187 -12.254 14.708 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.418 -12.805 15.827 1.00 0.00 H new ATOM 0 HD2 ARG A 95 9.573 -11.735 13.997 1.00 0.00 H new ATOM 0 HD3 ARG A 95 9.855 -13.456 13.827 1.00 0.00 H new ATOM 0 HE ARG A 95 7.560 -12.280 12.332 1.00 0.00 H new ATOM 0 HH11 ARG A 95 10.827 -13.660 12.205 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.776 -13.861 10.451 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.530 -12.529 10.121 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.917 -13.223 9.277 1.00 0.00 H new ATOM 1498 C ARG A 96 9.163 -14.657 20.068 1.00 0.00 C ATOM 1499 CA ARG A 96 8.708 -15.967 19.377 1.00 0.00 C ATOM 1500 CB ARG A 96 9.489 -17.202 19.901 1.00 0.00 C ATOM 1501 CD ARG A 96 11.650 -18.531 19.442 1.00 0.00 C ATOM 1502 CG ARG A 96 11.029 -17.147 19.707 1.00 0.00 C ATOM 1503 CZ ARG A 96 10.960 -20.837 20.160 1.00 0.00 C ATOM 1517 N ARG A 96 8.862 -15.893 17.901 1.00 0.00 N ATOM 1518 NE ARG A 96 11.242 -19.547 20.436 1.00 0.00 N ATOM 1519 NH1 ARG A 96 10.944 -21.278 18.912 1.00 0.00 N ATOM 1520 NH2 ARG A 96 10.682 -21.681 21.136 1.00 0.00 N ATOM 1521 O ARG A 96 8.997 -14.480 21.284 1.00 0.00 O ATOM 0 H ARG A 96 9.733 -16.301 17.563 1.00 0.00 H new ATOM 0 HA ARG A 96 7.653 -16.084 19.623 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.278 -17.320 20.964 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.108 -18.091 19.399 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.262 -16.484 18.873 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.487 -16.713 20.596 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.361 -18.868 18.446 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.736 -18.443 19.446 1.00 0.00 H new ATOM 0 HE ARG A 96 11.168 -19.248 21.408 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.147 -20.639 18.143 1.00 0.00 H new ATOM 0 HH12 ARG A 96 10.729 -22.256 18.720 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.680 -21.359 22.104 1.00 0.00 H new ATOM 0 HH22 ARG A 96 10.469 -22.655 20.922 1.00 0.00 H new ATOM 1522 C GLY A 97 10.061 -11.489 18.455 1.00 0.00 C ATOM 1523 CA GLY A 97 10.078 -12.398 19.668 1.00 0.00 C ATOM 1527 N GLY A 97 9.750 -13.764 19.266 1.00 0.00 N ATOM 1528 O GLY A 97 9.494 -11.858 17.422 1.00 0.00 O ATOM 0 H GLY A 97 10.014 -13.976 18.304 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.361 -12.045 20.409 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.061 -12.373 20.139 1.00 0.00 H new ATOM 1529 C SER A 98 11.875 -10.098 16.435 1.00 0.00 C ATOM 1530 CA SER A 98 10.893 -9.416 17.406 1.00 0.00 C ATOM 1531 CB SER A 98 11.444 -8.038 17.868 1.00 0.00 C ATOM 1537 N SER A 98 10.665 -10.299 18.568 1.00 0.00 N ATOM 1538 O SER A 98 12.808 -10.778 16.887 1.00 0.00 O ATOM 1539 OG SER A 98 11.956 -7.276 16.786 1.00 0.00 O ATOM 0 H SER A 98 11.007 -9.921 19.452 1.00 0.00 H new ATOM 0 HA SER A 98 9.947 -9.242 16.894 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.650 -7.478 18.361 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.231 -8.192 18.606 1.00 0.00 H new ATOM 0 HG SER A 98 12.290 -6.417 17.120 1.00 0.00 H new ATOM 1540 C ALA A 99 13.976 -9.903 14.257 1.00 0.00 C ATOM 1541 CA ALA A 99 12.550 -10.460 14.066 1.00 0.00 C ATOM 1542 CB ALA A 99 12.009 -10.118 12.668 1.00 0.00 C ATOM 1548 N ALA A 99 11.642 -9.935 15.116 1.00 0.00 N ATOM 1549 O ALA A 99 14.970 -10.624 14.093 1.00 0.00 O ATOM 0 H ALA A 99 10.829 -9.441 14.748 1.00 0.00 H new ATOM 0 HA ALA A 99 12.596 -11.545 14.156 1.00 0.00 H new ATOM 0 HB1 ALA A 99 12.687 -10.510 11.910 1.00 0.00 H new ATOM 0 HB2 ALA A 99 11.023 -10.565 12.540 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.933 -9.036 12.562 1.00 0.00 H new ATOM 1550 C LYS A 100 15.951 -8.506 16.228 1.00 0.00 C ATOM 1551 CA LYS A 100 15.307 -7.920 14.956 1.00 0.00 C ATOM 1552 CB LYS A 100 15.051 -6.401 15.140 1.00 0.00 C ATOM 1553 CD LYS A 100 16.041 -4.052 15.462 1.00 0.00 C ATOM 1554 CE LYS A 100 17.319 -3.220 15.630 1.00 0.00 C ATOM 1555 CG LYS A 100 16.332 -5.559 15.335 1.00 0.00 C ATOM 1569 N LYS A 100 14.044 -8.614 14.646 1.00 0.00 N ATOM 1570 NZ LYS A 100 17.021 -1.776 15.732 1.00 0.00 N ATOM 1571 O LYS A 100 17.141 -8.818 16.236 1.00 0.00 O ATOM 0 H LYS A 100 13.219 -8.024 14.754 1.00 0.00 H new ATOM 0 HA LYS A 100 15.994 -8.066 14.122 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.514 -6.027 14.269 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.400 -6.256 16.002 1.00 0.00 H new ATOM 0 HG2 LYS A 100 16.853 -5.901 16.229 1.00 0.00 H new ATOM 0 HG3 LYS A 100 17.003 -5.725 14.492 1.00 0.00 H new ATOM 0 HD2 LYS A 100 15.504 -3.713 14.576 1.00 0.00 H new ATOM 0 HD3 LYS A 100 15.386 -3.882 16.316 1.00 0.00 H new ATOM 0 HE2 LYS A 100 17.851 -3.546 16.524 1.00 0.00 H new ATOM 0 HE3 LYS A 100 17.982 -3.396 14.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 17.908 -1.246 15.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 16.536 -1.460 14.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 16.409 -1.605 16.555 1.00 0.00 H new ATOM 1572 C TRP A 101 16.209 -10.612 18.426 1.00 0.00 C ATOM 1573 CA TRP A 101 15.578 -9.215 18.594 1.00 0.00 C ATOM 1574 CB TRP A 101 14.387 -9.272 19.589 1.00 0.00 C ATOM 1575 CD1 TRP A 101 15.396 -9.207 21.962 1.00 0.00 C ATOM 1576 CD2 TRP A 101 14.358 -11.129 21.474 1.00 0.00 C ATOM 1577 CE2 TRP A 101 14.866 -11.213 22.779 1.00 0.00 C ATOM 1578 CE3 TRP A 101 13.664 -12.223 20.952 1.00 0.00 C ATOM 1579 CG TRP A 101 14.713 -9.834 20.958 1.00 0.00 C ATOM 1580 CH2 TRP A 101 14.025 -13.404 23.037 1.00 0.00 C ATOM 1581 CZ2 TRP A 101 14.705 -12.343 23.573 1.00 0.00 C ATOM 1582 CZ3 TRP A 101 13.501 -13.350 21.739 1.00 0.00 C ATOM 1593 N TRP A 101 15.131 -8.667 17.287 1.00 0.00 N ATOM 1594 NE1 TRP A 101 15.488 -10.027 23.054 1.00 0.00 N ATOM 1595 O TRP A 101 17.226 -10.915 19.038 1.00 0.00 O ATOM 0 H TRP A 101 14.141 -8.423 17.265 1.00 0.00 H new ATOM 0 HA TRP A 101 16.341 -8.550 18.997 1.00 0.00 H new ATOM 0 HB2 TRP A 101 13.990 -8.264 19.713 1.00 0.00 H new ATOM 0 HB3 TRP A 101 13.594 -9.875 19.146 1.00 0.00 H new ATOM 0 HD1 TRP A 101 15.804 -8.209 21.902 1.00 0.00 H new ATOM 0 HE1 TRP A 101 15.948 -9.791 23.933 1.00 0.00 H new ATOM 0 HE3 TRP A 101 13.261 -12.190 19.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 15.102 -12.383 24.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 12.962 -14.200 21.347 1.00 0.00 H new ATOM 0 HH2 TRP A 101 13.890 -14.299 23.626 1.00 0.00 H new ATOM 1596 C MET A 102 17.245 -12.825 16.289 1.00 0.00 C ATOM 1597 CA MET A 102 16.069 -12.809 17.287 1.00 0.00 C ATOM 1598 CB MET A 102 14.902 -13.698 16.775 1.00 0.00 C ATOM 1599 CE MET A 102 11.817 -14.046 15.869 1.00 0.00 C ATOM 1600 CG MET A 102 13.803 -13.960 17.820 1.00 0.00 C ATOM 1610 N MET A 102 15.601 -11.436 17.558 1.00 0.00 N ATOM 1611 O MET A 102 18.005 -13.800 16.255 1.00 0.00 O ATOM 1612 SD MET A 102 12.475 -15.026 17.214 1.00 0.00 S ATOM 0 H MET A 102 14.773 -11.172 17.024 1.00 0.00 H new ATOM 0 HA MET A 102 16.432 -13.222 18.228 1.00 0.00 H new ATOM 0 HB2 MET A 102 14.453 -13.222 15.903 1.00 0.00 H new ATOM 0 HB3 MET A 102 15.307 -14.654 16.443 1.00 0.00 H new ATOM 0 HG2 MET A 102 14.252 -14.417 18.702 1.00 0.00 H new ATOM 0 HG3 MET A 102 13.378 -13.007 18.136 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.758 -13.854 16.043 1.00 0.00 H new ATOM 0 HE2 MET A 102 12.354 -13.099 15.813 1.00 0.00 H new ATOM 0 HE3 MET A 102 11.938 -14.588 14.931 1.00 0.00 H new