USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=20 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 55 GLN : amide:sc= 0.439 K(o=0.44,f=-2.5!) USER MOD Set 1.2: A 98 SER OG : rot 76:sc= 0 USER MOD Set 2.1: A 61 THR OG1 : rot 180:sc= -0.063 USER MOD Set 2.2: A 64 GLN :FLIP amide:sc= 0 F(o=-0.59,f=-0.063) USER MOD Set 3.1: A 23 SER OG : rot -160:sc= 0.962 USER MOD Set 3.2: A 43 ASN :FLIP amide:sc= -1.35! F(o=-1.1,f=-0.39!) USER MOD Set 4.1: A 19 GLN : amide:sc= -0.0187 X(o=-0.95,f=-0.81) USER MOD Set 4.2: A 73 SER OG : rot 80:sc= -0.936 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -170:sc= -0.0221 (180deg=-0.168) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.85) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -40:sc= 0.0713 USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= -1.26 (180deg=-2.08!) USER MOD Single : A 57 THR OG1 : rot 55:sc= -1.28 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 150:sc= 0.217 USER MOD Single : A 78 TYR OH : rot 124:sc= 0.00175 USER MOD Single : A 81 THR OG1 : rot -160:sc= -0.223 USER MOD Single : A 87 SER OG : rot 180:sc= 0.127 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 165:sc= -2.9! (180deg=-3.79!) USER MOD ----------------------------------------------------------------- ATOM 200 C MET A 15 -7.793 -10.161 13.828 1.00 0.00 C ATOM 201 CA MET A 15 -6.478 -9.397 13.590 1.00 0.00 C ATOM 202 CB MET A 15 -6.262 -8.350 14.714 1.00 0.00 C ATOM 203 CE MET A 15 -2.087 -7.954 14.891 1.00 0.00 C ATOM 204 CG MET A 15 -4.879 -7.677 14.722 1.00 0.00 C ATOM 214 N MET A 15 -6.454 -8.768 12.254 1.00 0.00 N ATOM 215 O MET A 15 -7.773 -11.324 14.225 1.00 0.00 O ATOM 216 SD MET A 15 -3.546 -8.842 14.355 1.00 0.00 S ATOM 0 HA MET A 15 -5.654 -10.110 13.620 1.00 0.00 H new ATOM 0 HB2 MET A 15 -7.025 -7.577 14.620 1.00 0.00 H new ATOM 0 HB3 MET A 15 -6.418 -8.836 15.677 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.866 -6.871 13.989 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.704 -7.224 15.698 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.203 -8.568 14.717 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.000 -7.024 14.329 1.00 0.00 H new ATOM 0 HE3 MET A 15 -2.168 -7.729 15.954 1.00 0.00 H new ATOM 217 C GLU A 16 -10.433 -11.338 12.738 1.00 0.00 C ATOM 218 CA GLU A 16 -10.276 -10.088 13.640 1.00 0.00 C ATOM 219 CB GLU A 16 -11.345 -9.011 13.297 1.00 0.00 C ATOM 220 CD GLU A 16 -13.267 -10.224 14.558 1.00 0.00 C ATOM 221 CG GLU A 16 -12.807 -9.509 13.268 1.00 0.00 C ATOM 228 N GLU A 16 -8.922 -9.500 13.516 1.00 0.00 N ATOM 229 O GLU A 16 -10.891 -12.409 13.192 1.00 0.00 O ATOM 230 OE1 GLU A 16 -13.204 -9.618 15.648 1.00 0.00 O ATOM 231 OE2 GLU A 16 -13.736 -11.383 14.476 1.00 0.00 O ATOM 0 H GLU A 16 -8.926 -8.541 13.170 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.422 -10.416 14.669 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.269 -8.204 14.026 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.106 -8.584 12.323 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.464 -8.658 13.086 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.928 -10.191 12.427 1.00 0.00 H new ATOM 232 C MET A 17 -9.184 -13.488 10.914 1.00 0.00 C ATOM 233 CA MET A 17 -10.076 -12.301 10.482 1.00 0.00 C ATOM 234 CB MET A 17 -9.674 -11.805 9.064 1.00 0.00 C ATOM 235 CE MET A 17 -8.614 -9.714 6.825 1.00 0.00 C ATOM 236 CG MET A 17 -10.653 -10.798 8.433 1.00 0.00 C ATOM 246 N MET A 17 -10.016 -11.201 11.464 1.00 0.00 N ATOM 247 O MET A 17 -9.542 -14.638 10.697 1.00 0.00 O ATOM 248 SD MET A 17 -10.264 -10.414 6.707 1.00 0.00 S ATOM 0 H MET A 17 -9.632 -10.334 11.090 1.00 0.00 H new ATOM 0 HA MET A 17 -11.108 -12.650 10.443 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.687 -11.345 9.121 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.586 -12.668 8.404 1.00 0.00 H new ATOM 0 HG2 MET A 17 -11.665 -11.199 8.490 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.642 -9.877 9.015 1.00 0.00 H new ATOM 0 HE1 MET A 17 -8.335 -9.277 5.866 1.00 0.00 H new ATOM 0 HE2 MET A 17 -8.601 -8.941 7.593 1.00 0.00 H new ATOM 0 HE3 MET A 17 -7.904 -10.498 7.087 1.00 0.00 H new ATOM 249 C LEU A 18 -7.506 -14.875 13.322 1.00 0.00 C ATOM 250 CA LEU A 18 -7.062 -14.189 12.013 1.00 0.00 C ATOM 251 CB LEU A 18 -5.671 -13.528 12.176 1.00 0.00 C ATOM 252 CD1 LEU A 18 -3.707 -12.217 11.162 1.00 0.00 C ATOM 253 CD2 LEU A 18 -4.887 -14.020 9.779 1.00 0.00 C ATOM 254 CG LEU A 18 -5.041 -12.937 10.871 1.00 0.00 C ATOM 266 N LEU A 18 -8.052 -13.185 11.571 1.00 0.00 N ATOM 267 O LEU A 18 -7.089 -16.004 13.609 1.00 0.00 O ATOM 0 H LEU A 18 -7.793 -12.229 11.814 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.992 -14.962 11.248 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.754 -12.728 12.912 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.984 -14.268 12.586 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.730 -12.186 10.483 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.298 -11.819 10.233 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.880 -11.399 11.862 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.000 -12.923 11.597 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.447 -13.576 8.886 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.240 -14.817 10.145 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.866 -14.432 9.534 1.00 0.00 H new ATOM 268 C GLN A 19 -9.915 -15.875 14.976 1.00 0.00 C ATOM 269 CA GLN A 19 -8.991 -14.707 15.332 1.00 0.00 C ATOM 270 CB GLN A 19 -9.792 -13.584 16.058 1.00 0.00 C ATOM 271 CD GLN A 19 -9.679 -11.314 17.268 1.00 0.00 C ATOM 272 CG GLN A 19 -8.925 -12.558 16.811 1.00 0.00 C ATOM 281 N GLN A 19 -8.347 -14.166 14.111 1.00 0.00 N ATOM 282 NE2 GLN A 19 -8.984 -10.193 17.346 1.00 0.00 N ATOM 283 O GLN A 19 -9.948 -16.896 15.670 1.00 0.00 O ATOM 284 OE1 GLN A 19 -10.878 -11.362 17.540 1.00 0.00 O ATOM 0 H GLN A 19 -8.599 -13.197 13.917 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.214 -15.074 16.003 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.399 -13.056 15.322 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.480 -14.047 16.766 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.485 -13.042 17.683 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.101 -12.253 16.166 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.991 -10.191 17.113 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.440 -9.329 17.640 1.00 0.00 H new ATOM 285 C ARG A 20 -10.899 -17.686 12.351 1.00 0.00 C ATOM 286 CA ARG A 20 -11.586 -16.758 13.386 1.00 0.00 C ATOM 287 CB ARG A 20 -12.883 -16.109 12.824 1.00 0.00 C ATOM 288 CD ARG A 20 -12.949 -15.896 10.240 1.00 0.00 C ATOM 289 CG ARG A 20 -12.710 -15.180 11.587 1.00 0.00 C ATOM 290 CZ ARG A 20 -14.865 -17.035 9.096 1.00 0.00 C ATOM 304 N ARG A 20 -10.672 -15.709 13.879 1.00 0.00 N ATOM 305 NE ARG A 20 -14.318 -16.443 10.160 1.00 0.00 N ATOM 306 NH1 ARG A 20 -14.178 -17.200 7.975 1.00 0.00 N ATOM 307 NH2 ARG A 20 -16.112 -17.470 9.163 1.00 0.00 N ATOM 308 O ARG A 20 -11.418 -18.767 12.054 1.00 0.00 O ATOM 0 H ARG A 20 -10.671 -14.859 13.315 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.862 -17.397 14.225 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.577 -16.906 12.558 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.350 -15.532 13.622 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.402 -14.343 11.672 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.703 -14.763 11.594 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.786 -15.197 9.420 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.225 -16.702 10.121 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.899 -16.361 10.994 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.214 -16.872 7.915 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.613 -17.655 7.172 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.648 -17.352 10.023 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.538 -17.924 8.355 1.00 0.00 H new ATOM 309 C GLU A 21 -8.255 -19.218 11.551 1.00 0.00 C ATOM 310 CA GLU A 21 -8.955 -18.064 10.826 1.00 0.00 C ATOM 311 CB GLU A 21 -7.901 -17.193 10.080 1.00 0.00 C ATOM 312 CD GLU A 21 -8.000 -18.405 7.817 1.00 0.00 C ATOM 313 CG GLU A 21 -7.106 -17.914 8.970 1.00 0.00 C ATOM 320 N GLU A 21 -9.739 -17.254 11.799 1.00 0.00 N ATOM 321 O GLU A 21 -8.570 -20.397 11.330 1.00 0.00 O ATOM 322 OE1 GLU A 21 -8.370 -19.602 7.786 1.00 0.00 O ATOM 323 OE2 GLU A 21 -8.361 -17.587 6.945 1.00 0.00 O ATOM 0 H GLU A 21 -9.322 -16.347 12.010 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.648 -18.464 10.086 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.410 -16.336 9.639 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.195 -16.802 10.813 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.349 -17.237 8.574 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.578 -18.764 9.402 1.00 0.00 H new ATOM 324 C TYR A 22 -7.324 -20.060 14.533 1.00 0.00 C ATOM 325 CA TYR A 22 -6.546 -19.803 13.232 1.00 0.00 C ATOM 326 CB TYR A 22 -5.119 -19.270 13.516 1.00 0.00 C ATOM 327 CD1 TYR A 22 -4.048 -17.478 12.048 1.00 0.00 C ATOM 328 CD2 TYR A 22 -3.872 -19.750 11.333 1.00 0.00 C ATOM 329 CE1 TYR A 22 -3.327 -17.073 10.945 1.00 0.00 C ATOM 330 CE2 TYR A 22 -3.153 -19.344 10.223 1.00 0.00 C ATOM 331 CG TYR A 22 -4.335 -18.825 12.271 1.00 0.00 C ATOM 332 CZ TYR A 22 -2.884 -18.005 10.035 1.00 0.00 C ATOM 342 N TYR A 22 -7.303 -18.848 12.426 1.00 0.00 N ATOM 343 O TYR A 22 -8.099 -21.024 14.611 1.00 0.00 O ATOM 344 OH TYR A 22 -2.163 -17.597 8.931 1.00 0.00 O ATOM 0 H TYR A 22 -7.042 -17.876 12.589 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.429 -20.742 12.692 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.192 -18.426 14.202 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.551 -20.048 14.026 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -4.397 -16.738 12.753 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.079 -20.800 11.476 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -3.110 -16.026 10.795 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.804 -20.073 9.507 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.925 -18.378 8.389 1.00 0.00 H new ATOM 345 C SER A 23 -7.695 -17.933 17.622 1.00 0.00 C ATOM 346 CA SER A 23 -7.807 -19.256 16.847 1.00 0.00 C ATOM 347 CB SER A 23 -7.136 -20.369 17.694 1.00 0.00 C ATOM 353 N SER A 23 -7.182 -19.139 15.513 1.00 0.00 N ATOM 354 O SER A 23 -6.987 -17.000 17.210 1.00 0.00 O ATOM 355 OG SER A 23 -7.303 -21.657 17.136 1.00 0.00 O ATOM 0 H SER A 23 -6.628 -18.290 15.399 1.00 0.00 H new ATOM 0 HA SER A 23 -8.855 -19.507 16.681 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.072 -20.155 17.790 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.555 -20.357 18.700 1.00 0.00 H new ATOM 0 HG SER A 23 -7.157 -22.335 17.828 1.00 0.00 H new ATOM 356 C THR A 24 -7.629 -17.630 21.006 1.00 0.00 C ATOM 357 CA THR A 24 -8.251 -16.903 19.806 1.00 0.00 C ATOM 358 CB THR A 24 -9.614 -16.277 20.228 1.00 0.00 C ATOM 359 CG2 THR A 24 -10.200 -15.392 19.127 1.00 0.00 C ATOM 367 N THR A 24 -8.436 -17.879 18.730 1.00 0.00 N ATOM 368 O THR A 24 -7.896 -18.825 21.214 1.00 0.00 O ATOM 369 OG1 THR A 24 -10.552 -17.317 20.553 1.00 0.00 O ATOM 0 H THR A 24 -9.201 -18.529 18.909 1.00 0.00 H new ATOM 0 HA THR A 24 -7.602 -16.099 19.460 1.00 0.00 H new ATOM 0 HB THR A 24 -9.430 -15.652 21.102 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.406 -16.916 20.819 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.150 -14.975 19.462 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.507 -14.581 18.904 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.362 -15.988 18.229 1.00 0.00 H new ATOM 370 C LEU A 25 -7.190 -17.359 24.154 1.00 0.00 C ATOM 371 CA LEU A 25 -6.194 -17.485 22.996 1.00 0.00 C ATOM 372 CB LEU A 25 -4.875 -16.748 23.339 1.00 0.00 C ATOM 373 CD1 LEU A 25 -3.506 -18.860 23.684 1.00 0.00 C ATOM 374 CD2 LEU A 25 -2.659 -16.650 24.588 1.00 0.00 C ATOM 375 CG LEU A 25 -3.902 -17.504 24.282 1.00 0.00 C ATOM 387 N LEU A 25 -6.789 -16.930 21.769 1.00 0.00 N ATOM 388 O LEU A 25 -7.629 -16.250 24.461 1.00 0.00 O ATOM 0 H LEU A 25 -6.501 -15.974 21.562 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.966 -18.538 22.834 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.351 -16.529 22.408 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.125 -15.791 23.798 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.419 -17.690 25.223 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.824 -19.372 24.363 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.399 -19.469 23.540 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.014 -18.705 22.724 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.993 -17.202 25.251 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.138 -16.420 23.659 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.965 -15.722 25.072 1.00 0.00 H new ATOM 389 C ARG A 26 -7.809 -18.418 27.253 1.00 0.00 C ATOM 390 CA ARG A 26 -8.525 -18.493 25.898 1.00 0.00 C ATOM 391 CB ARG A 26 -9.450 -19.746 25.849 1.00 0.00 C ATOM 392 CD ARG A 26 -9.691 -22.288 26.104 1.00 0.00 C ATOM 393 CG ARG A 26 -8.732 -21.112 25.897 1.00 0.00 C ATOM 394 CZ ARG A 26 -11.599 -22.489 27.721 1.00 0.00 C ATOM 408 N ARG A 26 -7.556 -18.490 24.783 1.00 0.00 N ATOM 409 NE ARG A 26 -10.304 -22.267 27.448 1.00 0.00 N ATOM 410 NH1 ARG A 26 -12.490 -22.645 26.749 1.00 0.00 N ATOM 411 NH2 ARG A 26 -12.000 -22.531 28.979 1.00 0.00 N ATOM 412 O ARG A 26 -8.201 -17.644 28.133 1.00 0.00 O ATOM 0 H ARG A 26 -7.197 -19.413 24.540 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.148 -17.606 25.784 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.147 -19.693 26.686 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.044 -19.701 24.936 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.181 -21.259 24.968 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -7.999 -21.102 26.704 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.474 -22.256 25.347 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.152 -23.225 25.965 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.690 -22.066 28.237 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.195 -22.597 25.774 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.470 -22.813 26.977 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.327 -22.395 29.734 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.982 -22.699 29.196 1.00 0.00 H new ATOM 413 C SER A 27 -4.586 -19.688 28.471 1.00 0.00 C ATOM 414 CA SER A 27 -6.080 -19.445 28.692 1.00 0.00 C ATOM 415 CB SER A 27 -6.719 -20.661 29.419 1.00 0.00 C ATOM 421 N SER A 27 -6.744 -19.219 27.403 1.00 0.00 N ATOM 422 O SER A 27 -4.174 -20.199 27.425 1.00 0.00 O ATOM 423 OG SER A 27 -8.123 -20.487 29.572 1.00 0.00 O ATOM 0 H SER A 27 -6.318 -19.730 26.629 1.00 0.00 H new ATOM 0 HA SER A 27 -6.207 -18.560 29.316 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.522 -21.572 28.853 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.256 -20.788 30.398 1.00 0.00 H new ATOM 0 HG SER A 27 -8.501 -21.266 30.031 1.00 0.00 H new ATOM 424 C VAL A 28 -1.986 -20.047 30.909 1.00 0.00 C ATOM 425 CA VAL A 28 -2.337 -19.524 29.509 1.00 0.00 C ATOM 426 CB VAL A 28 -1.501 -18.229 29.200 1.00 0.00 C ATOM 427 CG1 VAL A 28 0.016 -18.524 29.130 1.00 0.00 C ATOM 428 CG2 VAL A 28 -1.979 -17.553 27.905 1.00 0.00 C ATOM 438 N VAL A 28 -3.784 -19.269 29.454 1.00 0.00 N ATOM 439 O VAL A 28 -2.542 -19.578 31.910 1.00 0.00 O ATOM 0 H VAL A 28 -4.127 -18.732 30.251 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.086 -20.262 28.747 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.666 -17.540 30.028 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.556 -17.602 28.915 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.353 -18.927 30.085 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.209 -19.251 28.341 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.382 -16.661 27.718 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.867 -18.245 27.071 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.028 -17.273 28.006 1.00 0.00 H new ATOM 440 C GLN A 29 0.860 -22.016 32.083 1.00 0.00 C ATOM 441 CA GLN A 29 -0.638 -21.679 32.190 1.00 0.00 C ATOM 442 CB GLN A 29 -1.488 -22.962 32.416 1.00 0.00 C ATOM 443 CD GLN A 29 -2.299 -25.207 31.459 1.00 0.00 C ATOM 444 CG GLN A 29 -1.461 -23.951 31.237 1.00 0.00 C ATOM 453 N GLN A 29 -1.064 -21.009 30.958 1.00 0.00 N ATOM 454 NE2 GLN A 29 -1.919 -26.307 30.826 1.00 0.00 N ATOM 455 O GLN A 29 1.306 -22.609 31.093 1.00 0.00 O ATOM 456 OE1 GLN A 29 -3.292 -25.186 32.179 1.00 0.00 O ATOM 0 H GLN A 29 -0.582 -21.352 30.127 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.790 -21.022 33.046 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.128 -23.470 33.311 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.521 -22.671 32.608 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.818 -23.442 30.342 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.429 -24.245 31.046 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.089 -26.294 30.234 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.457 -27.167 30.931 1.00 0.00 H new ATOM 457 C TYR A 30 3.300 -23.243 33.845 1.00 0.00 C ATOM 458 CA TYR A 30 3.073 -21.893 33.147 1.00 0.00 C ATOM 459 CB TYR A 30 3.853 -20.765 33.872 1.00 0.00 C ATOM 460 CD1 TYR A 30 5.969 -21.267 35.246 1.00 0.00 C ATOM 461 CD2 TYR A 30 6.164 -21.182 32.864 1.00 0.00 C ATOM 462 CE1 TYR A 30 7.316 -21.574 35.342 1.00 0.00 C ATOM 463 CE2 TYR A 30 7.507 -21.486 32.961 1.00 0.00 C ATOM 464 CG TYR A 30 5.360 -21.062 34.003 1.00 0.00 C ATOM 465 CZ TYR A 30 8.079 -21.681 34.197 1.00 0.00 C ATOM 475 N TYR A 30 1.635 -21.607 33.088 1.00 0.00 N ATOM 476 O TYR A 30 2.906 -23.430 35.000 1.00 0.00 O ATOM 477 OH TYR A 30 9.424 -21.979 34.289 1.00 0.00 O ATOM 0 H TYR A 30 1.287 -21.070 33.882 1.00 0.00 H new ATOM 0 HA TYR A 30 3.454 -21.943 32.127 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.719 -19.830 33.328 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.429 -20.619 34.866 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.378 -21.184 36.146 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.725 -21.034 31.889 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.768 -21.729 36.310 1.00 0.00 H new ATOM 0 HE2 TYR A 30 8.108 -21.571 32.068 1.00 0.00 H new ATOM 0 HH TYR A 30 9.813 -22.018 33.390 1.00 0.00 H new ATOM 478 C ARG A 31 5.797 -25.403 34.115 1.00 0.00 C ATOM 479 CA ARG A 31 4.331 -25.481 33.637 1.00 0.00 C ATOM 480 CB ARG A 31 4.154 -26.565 32.543 1.00 0.00 C ATOM 481 CD ARG A 31 2.585 -28.111 31.248 1.00 0.00 C ATOM 482 CG ARG A 31 2.685 -26.908 32.202 1.00 0.00 C ATOM 483 CZ ARG A 31 0.644 -29.664 31.517 1.00 0.00 C ATOM 497 N ARG A 31 3.917 -24.177 33.116 1.00 0.00 N ATOM 498 NE ARG A 31 1.197 -28.547 31.008 1.00 0.00 N ATOM 499 NH1 ARG A 31 1.299 -30.403 32.412 1.00 0.00 N ATOM 500 NH2 ARG A 31 -0.570 -30.023 31.142 1.00 0.00 N ATOM 501 O ARG A 31 6.719 -25.296 33.295 1.00 0.00 O ATOM 0 H ARG A 31 4.146 -24.045 32.131 1.00 0.00 H new ATOM 0 HA ARG A 31 3.706 -25.755 34.487 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.654 -26.230 31.635 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.659 -27.475 32.868 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.140 -27.126 33.121 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.206 -26.042 31.746 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.047 -27.851 30.296 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.154 -28.943 31.662 1.00 0.00 H new ATOM 0 HE ARG A 31 0.613 -27.959 30.413 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.231 -30.125 32.719 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.868 -31.247 32.790 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.085 -29.455 30.469 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.993 -30.868 31.525 1.00 0.00 H new ATOM 502 C SER A 32 8.193 -26.534 35.853 1.00 0.00 C ATOM 503 CA SER A 32 7.301 -25.293 36.088 1.00 0.00 C ATOM 504 CB SER A 32 7.093 -25.050 37.596 1.00 0.00 C ATOM 510 N SER A 32 5.985 -25.433 35.443 1.00 0.00 N ATOM 511 O SER A 32 9.369 -26.389 35.507 1.00 0.00 O ATOM 512 OG SER A 32 6.241 -23.931 37.819 1.00 0.00 O ATOM 0 H SER A 32 5.220 -25.556 36.107 1.00 0.00 H new ATOM 0 HA SER A 32 7.820 -24.444 35.643 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.660 -25.939 38.055 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.056 -24.880 38.077 1.00 0.00 H new ATOM 0 HG SER A 32 6.461 -23.220 37.181 1.00 0.00 H new ATOM 513 C GLU A 33 8.784 -29.260 34.406 1.00 0.00 C ATOM 514 CA GLU A 33 8.362 -29.036 35.865 1.00 0.00 C ATOM 515 CB GLU A 33 7.551 -30.267 36.390 1.00 0.00 C ATOM 516 CD GLU A 33 5.123 -29.702 35.680 1.00 0.00 C ATOM 517 CG GLU A 33 6.303 -30.685 35.566 1.00 0.00 C ATOM 524 N GLU A 33 7.617 -27.751 36.025 1.00 0.00 N ATOM 525 O GLU A 33 9.796 -29.917 34.123 1.00 0.00 O ATOM 526 OE1 GLU A 33 5.059 -28.734 34.898 1.00 0.00 O ATOM 527 OE2 GLU A 33 4.269 -29.885 36.574 1.00 0.00 O ATOM 0 H GLU A 33 6.636 -27.874 36.275 1.00 0.00 H new ATOM 0 HA GLU A 33 9.259 -28.948 36.479 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.226 -31.121 36.442 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.229 -30.052 37.409 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.586 -30.778 34.518 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.975 -31.671 35.896 1.00 0.00 H new ATOM 528 C GLU A 34 9.177 -27.620 31.614 1.00 0.00 C ATOM 529 CA GLU A 34 8.252 -28.769 32.051 1.00 0.00 C ATOM 530 CB GLU A 34 6.914 -28.717 31.292 1.00 0.00 C ATOM 531 CD GLU A 34 6.443 -31.247 31.348 1.00 0.00 C ATOM 532 CG GLU A 34 5.932 -29.837 31.682 1.00 0.00 C ATOM 539 N GLU A 34 7.981 -28.723 33.492 1.00 0.00 N ATOM 540 O GLU A 34 9.872 -27.723 30.589 1.00 0.00 O ATOM 541 OE1 GLU A 34 6.843 -31.992 32.271 1.00 0.00 O ATOM 542 OE2 GLU A 34 6.457 -31.613 30.155 1.00 0.00 O ATOM 0 H GLU A 34 7.115 -28.238 33.729 1.00 0.00 H new ATOM 0 HA GLU A 34 8.770 -29.699 31.816 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.441 -27.752 31.475 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.112 -28.777 30.222 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.731 -29.776 32.752 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.984 -29.672 31.170 1.00 0.00 H new ATOM 543 C GLY A 35 9.486 -24.583 30.880 1.00 0.00 C ATOM 544 CA GLY A 35 9.967 -25.334 32.121 1.00 0.00 C ATOM 548 N GLY A 35 9.172 -26.532 32.408 1.00 0.00 N ATOM 549 O GLY A 35 10.267 -23.890 30.217 1.00 0.00 O ATOM 0 H GLY A 35 8.618 -26.464 33.261 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.930 -24.665 32.981 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.010 -25.620 31.984 1.00 0.00 H new ATOM 550 C VAL A 36 6.249 -23.411 29.777 1.00 0.00 C ATOM 551 CA VAL A 36 7.536 -24.155 29.378 1.00 0.00 C ATOM 552 CB VAL A 36 7.183 -25.249 28.284 1.00 0.00 C ATOM 553 CG1 VAL A 36 8.440 -26.047 27.854 1.00 0.00 C ATOM 554 CG2 VAL A 36 6.045 -26.191 28.765 1.00 0.00 C ATOM 564 N VAL A 36 8.184 -24.743 30.565 1.00 0.00 N ATOM 565 O VAL A 36 5.615 -23.724 30.790 1.00 0.00 O ATOM 0 H VAL A 36 7.545 -25.293 31.138 1.00 0.00 H new ATOM 0 HA VAL A 36 8.252 -23.456 28.945 1.00 0.00 H new ATOM 0 HB VAL A 36 6.816 -24.722 27.403 1.00 0.00 H new ATOM 0 HG11 VAL A 36 8.162 -26.787 27.104 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.178 -25.364 27.433 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.865 -26.551 28.722 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.830 -26.927 27.990 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.357 -26.703 29.675 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.149 -25.605 28.967 1.00 0.00 H new ATOM 566 C ILE A 37 3.682 -22.419 27.990 1.00 0.00 C ATOM 567 CA ILE A 37 4.612 -21.730 29.005 1.00 0.00 C ATOM 568 CB ILE A 37 4.762 -20.213 28.640 1.00 0.00 C ATOM 569 CD1 ILE A 37 6.204 -18.122 29.070 1.00 0.00 C ATOM 570 CG1 ILE A 37 5.911 -19.554 29.460 1.00 0.00 C ATOM 571 CG2 ILE A 37 3.427 -19.460 28.861 1.00 0.00 C ATOM 583 N ILE A 37 5.906 -22.412 28.974 1.00 0.00 N ATOM 584 O ILE A 37 4.081 -22.688 26.848 1.00 0.00 O ATOM 0 H ILE A 37 6.536 -22.041 28.262 1.00 0.00 H new ATOM 0 HA ILE A 37 4.198 -21.790 30.011 1.00 0.00 H new ATOM 0 HB ILE A 37 5.020 -20.144 27.583 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.652 -19.586 30.518 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.818 -20.146 29.336 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.555 -18.409 28.601 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.653 -19.898 28.230 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.132 -19.542 29.907 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.016 -17.736 29.687 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.496 -18.083 28.020 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.312 -17.514 29.221 1.00 0.00 H new ATOM 585 C VAL A 38 0.280 -22.445 27.300 1.00 0.00 C ATOM 586 CA VAL A 38 1.441 -23.413 27.610 1.00 0.00 C ATOM 587 CB VAL A 38 0.922 -24.710 28.340 1.00 0.00 C ATOM 588 CG1 VAL A 38 -0.273 -25.354 27.596 1.00 0.00 C ATOM 589 CG2 VAL A 38 2.080 -25.726 28.527 1.00 0.00 C ATOM 599 N VAL A 38 2.457 -22.728 28.427 1.00 0.00 N ATOM 600 O VAL A 38 -0.417 -21.981 28.206 1.00 0.00 O ATOM 0 H VAL A 38 2.136 -22.508 29.370 1.00 0.00 H new ATOM 0 HA VAL A 38 1.893 -23.724 26.668 1.00 0.00 H new ATOM 0 HB VAL A 38 0.559 -24.414 29.324 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.599 -26.245 28.133 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.096 -24.641 27.543 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.033 -25.631 26.587 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.705 -26.616 29.033 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.481 -26.004 27.552 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.868 -25.273 29.128 1.00 0.00 H new ATOM 601 C PHE A 39 -2.111 -22.048 24.952 1.00 0.00 C ATOM 602 CA PHE A 39 -0.916 -21.231 25.482 1.00 0.00 C ATOM 603 CB PHE A 39 -0.306 -20.364 24.343 1.00 0.00 C ATOM 604 CD1 PHE A 39 0.686 -18.233 25.294 1.00 0.00 C ATOM 605 CD2 PHE A 39 2.189 -19.972 24.633 1.00 0.00 C ATOM 606 CE1 PHE A 39 1.757 -17.452 25.682 1.00 0.00 C ATOM 607 CE2 PHE A 39 3.259 -19.195 25.022 1.00 0.00 C ATOM 608 CG PHE A 39 0.880 -19.509 24.770 1.00 0.00 C ATOM 609 CZ PHE A 39 3.042 -17.927 25.539 1.00 0.00 C ATOM 619 N PHE A 39 0.109 -22.146 26.006 1.00 0.00 N ATOM 620 O PHE A 39 -2.087 -22.524 23.810 1.00 0.00 O ATOM 0 H PHE A 39 0.696 -22.545 25.273 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.263 -20.573 26.278 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.008 -21.021 23.532 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.083 -19.712 23.943 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.318 -17.848 25.399 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.366 -20.953 24.216 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.587 -16.470 26.097 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.266 -19.574 24.924 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.881 -17.312 25.830 1.00 0.00 H new ATOM 621 C ILE A 40 -5.238 -22.138 24.494 1.00 0.00 C ATOM 622 CA ILE A 40 -4.347 -22.993 25.421 1.00 0.00 C ATOM 623 CB ILE A 40 -5.171 -23.434 26.687 1.00 0.00 C ATOM 624 CD1 ILE A 40 -4.969 -24.628 28.996 1.00 0.00 C ATOM 625 CG1 ILE A 40 -4.260 -24.190 27.716 1.00 0.00 C ATOM 626 CG2 ILE A 40 -6.394 -24.298 26.278 1.00 0.00 C ATOM 638 N ILE A 40 -3.139 -22.235 25.794 1.00 0.00 N ATOM 639 O ILE A 40 -5.681 -21.039 24.873 1.00 0.00 O ATOM 0 H ILE A 40 -3.159 -21.869 26.746 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.025 -23.894 24.898 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.546 -22.535 27.176 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.840 -25.071 27.230 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.424 -23.544 27.983 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.948 -24.590 27.170 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.044 -23.720 25.621 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.050 -25.191 25.755 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.261 -25.142 29.646 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.365 -23.752 29.510 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.788 -25.303 28.746 1.00 0.00 H new ATOM 640 C LEU A 41 -7.810 -22.375 22.483 1.00 0.00 C ATOM 641 CA LEU A 41 -6.339 -21.997 22.274 1.00 0.00 C ATOM 642 CB LEU A 41 -5.880 -22.369 20.834 1.00 0.00 C ATOM 643 CD1 LEU A 41 -4.111 -22.148 18.961 1.00 0.00 C ATOM 644 CD2 LEU A 41 -4.630 -20.190 20.502 1.00 0.00 C ATOM 645 CG LEU A 41 -4.536 -21.717 20.384 1.00 0.00 C ATOM 657 N LEU A 41 -5.465 -22.642 23.270 1.00 0.00 N ATOM 658 O LEU A 41 -8.129 -23.349 23.176 1.00 0.00 O ATOM 0 H LEU A 41 -5.046 -23.512 22.941 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.255 -20.918 22.406 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.781 -23.453 20.768 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.661 -22.077 20.132 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.755 -22.077 21.053 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.170 -21.664 18.700 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.983 -23.230 18.931 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.880 -21.854 18.247 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.688 -19.742 20.186 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.437 -19.825 19.866 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.832 -19.917 21.538 1.00 0.00 H new ATOM 659 C ALA A 42 -10.594 -23.081 21.191 1.00 0.00 C ATOM 660 CA ALA A 42 -10.158 -21.783 21.898 1.00 0.00 C ATOM 661 CB ALA A 42 -10.866 -20.562 21.289 1.00 0.00 C ATOM 667 N ALA A 42 -8.695 -21.589 21.845 1.00 0.00 N ATOM 668 O ALA A 42 -11.702 -23.576 21.421 1.00 0.00 O ATOM 0 H ALA A 42 -8.414 -20.793 21.272 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.448 -21.881 22.944 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.945 -20.709 21.330 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.600 -19.668 21.853 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.556 -20.442 20.251 1.00 0.00 H new ATOM 669 C ASN A 43 -9.347 -26.101 20.419 1.00 0.00 C ATOM 670 CA ASN A 43 -9.969 -24.914 19.645 1.00 0.00 C ATOM 671 CB ASN A 43 -9.468 -24.856 18.162 1.00 0.00 C ATOM 672 CG ASN A 43 -7.977 -25.143 17.962 1.00 0.00 C ATOM 679 N ASN A 43 -9.707 -23.637 20.337 1.00 0.00 N ATOM 680 ND2 ASN A 43 -7.583 -26.272 17.671 1.00 0.00 N flip ATOM 681 O ASN A 43 -9.314 -27.224 19.905 1.00 0.00 O ATOM 682 OD1 ASN A 43 -7.132 -24.142 18.151 1.00 0.00 O flip ATOM 0 H ASN A 43 -8.804 -23.220 20.112 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.047 -25.076 19.618 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.041 -25.573 17.574 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.688 -23.867 17.760 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.255 -27.026 17.531 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.584 -26.453 17.570 1.00 0.00 H new ATOM 683 C ASP A 44 -6.849 -27.216 21.801 1.00 0.00 C ATOM 684 CA ASP A 44 -8.142 -26.792 22.511 1.00 0.00 C ATOM 685 CB ASP A 44 -8.994 -28.026 22.924 1.00 0.00 C ATOM 686 CG ASP A 44 -10.204 -27.654 23.790 1.00 0.00 C ATOM 691 N ASP A 44 -8.894 -25.832 21.668 1.00 0.00 N ATOM 692 O ASP A 44 -6.647 -28.398 21.477 1.00 0.00 O ATOM 693 OD1 ASP A 44 -11.306 -27.435 23.237 1.00 0.00 O ATOM 694 OD2 ASP A 44 -10.057 -27.551 25.030 1.00 0.00 O ATOM 0 H ASP A 44 -9.043 -24.931 22.123 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.884 -26.281 23.439 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.340 -28.539 22.027 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.365 -28.729 23.470 1.00 0.00 H new ATOM 695 C ARG A 45 -3.642 -25.678 21.723 1.00 0.00 C ATOM 696 CA ARG A 45 -4.688 -26.423 20.879 1.00 0.00 C ATOM 697 CB ARG A 45 -4.731 -25.929 19.397 1.00 0.00 C ATOM 698 CD ARG A 45 -2.291 -25.521 18.619 1.00 0.00 C ATOM 699 CG ARG A 45 -3.566 -26.360 18.468 1.00 0.00 C ATOM 700 CZ ARG A 45 -0.011 -26.416 18.099 1.00 0.00 C ATOM 714 N ARG A 45 -6.014 -26.217 21.500 1.00 0.00 N ATOM 715 NE ARG A 45 -1.228 -26.007 17.722 1.00 0.00 N ATOM 716 NH1 ARG A 45 0.348 -26.394 19.371 1.00 0.00 N ATOM 717 NH2 ARG A 45 0.841 -26.849 17.194 1.00 0.00 N ATOM 718 O ARG A 45 -3.598 -24.452 21.726 1.00 0.00 O ATOM 0 H ARG A 45 -6.233 -25.237 21.678 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.415 -27.478 20.856 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.663 -26.278 18.952 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.770 -24.840 19.406 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.325 -27.404 18.668 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.903 -26.304 17.433 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.510 -24.477 18.396 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.946 -25.561 19.652 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.439 -26.034 16.724 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.306 -26.062 20.080 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.279 -26.709 19.644 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.572 -26.872 16.210 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.770 -27.162 17.476 1.00 0.00 H new ATOM 719 C GLU A 46 -0.510 -25.578 22.594 1.00 0.00 C ATOM 720 CA GLU A 46 -1.812 -25.877 23.358 1.00 0.00 C ATOM 721 CB GLU A 46 -1.547 -26.855 24.538 1.00 0.00 C ATOM 722 CD GLU A 46 -3.895 -27.909 24.840 1.00 0.00 C ATOM 723 CG GLU A 46 -2.753 -27.102 25.478 1.00 0.00 C ATOM 730 N GLU A 46 -2.816 -26.433 22.447 1.00 0.00 N ATOM 731 O GLU A 46 0.201 -26.497 22.170 1.00 0.00 O ATOM 732 OE1 GLU A 46 -3.656 -29.085 24.476 1.00 0.00 O ATOM 733 OE2 GLU A 46 -5.027 -27.382 24.698 1.00 0.00 O ATOM 0 H GLU A 46 -2.823 -27.453 22.419 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.192 -24.943 23.771 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.224 -27.812 24.129 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.719 -26.467 25.131 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.405 -27.628 26.367 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.144 -26.140 25.809 1.00 0.00 H new ATOM 734 C LEU A 47 2.091 -23.817 23.004 1.00 0.00 C ATOM 735 CA LEU A 47 1.062 -23.809 21.867 1.00 0.00 C ATOM 736 CB LEU A 47 0.919 -22.392 21.243 1.00 0.00 C ATOM 737 CD1 LEU A 47 0.201 -20.888 19.303 1.00 0.00 C ATOM 738 CD2 LEU A 47 1.338 -23.119 18.830 1.00 0.00 C ATOM 739 CG LEU A 47 0.388 -22.342 19.776 1.00 0.00 C ATOM 751 N LEU A 47 -0.225 -24.281 22.392 1.00 0.00 N ATOM 752 O LEU A 47 1.979 -23.077 23.973 1.00 0.00 O ATOM 0 H LEU A 47 -0.885 -23.529 22.590 1.00 0.00 H new ATOM 0 HA LEU A 47 1.401 -24.474 21.073 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.249 -21.806 21.871 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.893 -21.903 21.273 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.589 -22.824 19.750 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.170 -20.884 18.278 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.517 -20.384 19.951 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.157 -20.366 19.345 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.953 -23.074 17.811 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.331 -22.671 18.863 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.399 -24.159 19.150 1.00 0.00 H new ATOM 753 C LYS A 48 5.400 -24.362 23.546 1.00 0.00 C ATOM 754 CA LYS A 48 4.056 -24.996 23.906 1.00 0.00 C ATOM 755 CB LYS A 48 4.164 -26.535 24.037 1.00 0.00 C ATOM 756 CD LYS A 48 5.181 -28.576 25.224 1.00 0.00 C ATOM 757 CE LYS A 48 6.180 -29.095 26.274 1.00 0.00 C ATOM 758 CG LYS A 48 5.182 -27.036 25.087 1.00 0.00 C ATOM 772 N LYS A 48 3.083 -24.682 22.860 1.00 0.00 N ATOM 773 NZ LYS A 48 7.592 -28.792 25.907 1.00 0.00 N ATOM 774 O LYS A 48 6.058 -24.790 22.589 1.00 0.00 O ATOM 0 H LYS A 48 3.241 -25.199 21.995 1.00 0.00 H new ATOM 0 HA LYS A 48 3.741 -24.591 24.868 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.181 -26.932 24.289 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.435 -26.948 23.065 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.181 -26.700 24.809 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.952 -26.588 26.054 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.178 -28.909 25.491 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.418 -29.020 24.257 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.954 -28.646 27.241 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.059 -30.172 26.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.200 -28.908 26.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.904 -29.444 25.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.659 -27.813 25.563 1.00 0.00 H new ATOM 775 C PHE A 49 7.694 -22.253 25.414 1.00 0.00 C ATOM 776 CA PHE A 49 7.029 -22.558 24.069 1.00 0.00 C ATOM 777 CB PHE A 49 6.765 -21.241 23.291 1.00 0.00 C ATOM 778 CD1 PHE A 49 7.064 -21.844 20.845 1.00 0.00 C ATOM 779 CD2 PHE A 49 4.867 -21.283 21.603 1.00 0.00 C ATOM 780 CE1 PHE A 49 6.569 -22.060 19.572 1.00 0.00 C ATOM 781 CE2 PHE A 49 4.378 -21.495 20.329 1.00 0.00 C ATOM 782 CG PHE A 49 6.220 -21.452 21.883 1.00 0.00 C ATOM 783 CZ PHE A 49 5.225 -21.885 19.316 1.00 0.00 C ATOM 793 N PHE A 49 5.771 -23.302 24.283 1.00 0.00 N ATOM 794 O PHE A 49 7.031 -22.201 26.440 1.00 0.00 O ATOM 0 H PHE A 49 5.206 -22.933 25.048 1.00 0.00 H new ATOM 0 HA PHE A 49 7.699 -23.178 23.474 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.059 -20.633 23.856 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.694 -20.675 23.229 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.118 -21.981 21.038 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.192 -20.983 22.391 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.235 -22.366 18.778 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.327 -21.354 20.126 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.838 -22.054 18.322 1.00 0.00 H new ATOM 795 C ARG A 50 9.837 -20.261 26.922 1.00 0.00 C ATOM 796 CA ARG A 50 9.814 -21.770 26.592 1.00 0.00 C ATOM 797 CB ARG A 50 11.249 -22.286 26.362 1.00 0.00 C ATOM 798 CD ARG A 50 12.793 -24.276 25.887 1.00 0.00 C ATOM 799 CG ARG A 50 11.357 -23.819 26.203 1.00 0.00 C ATOM 800 CZ ARG A 50 14.756 -24.360 27.453 1.00 0.00 C ATOM 814 N ARG A 50 9.009 -22.031 25.386 1.00 0.00 N ATOM 815 NE ARG A 50 13.757 -23.709 26.853 1.00 0.00 N ATOM 816 NH1 ARG A 50 14.961 -25.652 27.246 1.00 0.00 N ATOM 817 NH2 ARG A 50 15.535 -23.691 28.281 1.00 0.00 N ATOM 818 O ARG A 50 9.726 -19.436 26.011 1.00 0.00 O ATOM 0 H ARG A 50 9.554 -22.026 24.524 1.00 0.00 H new ATOM 0 HA ARG A 50 9.366 -22.292 27.438 1.00 0.00 H new ATOM 0 HB2 ARG A 50 11.654 -21.811 25.469 1.00 0.00 H new ATOM 0 HB3 ARG A 50 11.873 -21.975 27.200 1.00 0.00 H new ATOM 0 HG2 ARG A 50 11.018 -24.301 27.120 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.690 -24.147 25.405 1.00 0.00 H new ATOM 0 HD2 ARG A 50 12.845 -25.364 25.913 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.062 -23.968 24.877 1.00 0.00 H new ATOM 0 HE ARG A 50 13.648 -22.722 27.084 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.349 -26.171 26.617 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.731 -26.128 27.716 1.00 0.00 H new ATOM 0 HH21 ARG A 50 15.367 -22.699 28.450 1.00 0.00 H new ATOM 0 HH22 ARG A 50 16.305 -24.165 28.752 1.00 0.00 H new ATOM 819 C PRO A 51 11.403 -17.813 27.964 1.00 0.00 C ATOM 820 CA PRO A 51 10.168 -18.460 28.642 1.00 0.00 C ATOM 821 CB PRO A 51 10.340 -18.534 30.186 1.00 0.00 C ATOM 822 CD PRO A 51 9.961 -20.771 29.421 1.00 0.00 C ATOM 823 CG PRO A 51 9.699 -19.831 30.572 1.00 0.00 C ATOM 831 N PRO A 51 9.981 -19.875 28.236 1.00 0.00 N ATOM 832 O PRO A 51 11.309 -16.745 27.352 1.00 0.00 O ATOM 0 HA PRO A 51 9.329 -17.833 28.339 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.392 -18.511 30.470 1.00 0.00 H new ATOM 0 HB3 PRO A 51 9.858 -17.690 30.680 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.124 -20.218 31.498 1.00 0.00 H new ATOM 0 HG3 PRO A 51 8.629 -19.705 30.740 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.908 -21.298 29.541 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.182 -21.529 29.337 1.00 0.00 H new ATOM 833 C ASP A 52 13.835 -18.125 25.915 1.00 0.00 C ATOM 834 CA ASP A 52 13.827 -18.078 27.462 1.00 0.00 C ATOM 835 CB ASP A 52 14.954 -18.959 28.047 1.00 0.00 C ATOM 836 CG ASP A 52 14.709 -20.463 27.823 1.00 0.00 C ATOM 841 N ASP A 52 12.536 -18.516 28.039 1.00 0.00 N ATOM 842 O ASP A 52 14.792 -17.665 25.284 1.00 0.00 O ATOM 843 OD1 ASP A 52 14.030 -21.098 28.663 1.00 0.00 O ATOM 844 OD2 ASP A 52 15.182 -21.017 26.809 1.00 0.00 O ATOM 0 H ASP A 52 12.592 -19.420 28.508 1.00 0.00 H new ATOM 0 HA ASP A 52 13.987 -17.034 27.731 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.903 -18.678 27.591 1.00 0.00 H new ATOM 0 HB3 ASP A 52 15.044 -18.765 29.116 1.00 0.00 H new ATOM 845 C ASP A 53 11.844 -17.393 23.458 1.00 0.00 C ATOM 846 CA ASP A 53 12.566 -18.690 23.865 1.00 0.00 C ATOM 847 CB ASP A 53 11.745 -19.927 23.410 1.00 0.00 C ATOM 848 CG ASP A 53 11.395 -19.930 21.900 1.00 0.00 C ATOM 853 N ASP A 53 12.785 -18.714 25.322 1.00 0.00 N ATOM 854 O ASP A 53 12.222 -16.741 22.487 1.00 0.00 O ATOM 855 OD1 ASP A 53 10.191 -19.894 21.542 1.00 0.00 O ATOM 856 OD2 ASP A 53 12.325 -19.999 21.068 1.00 0.00 O ATOM 0 H ASP A 53 12.064 -19.220 25.837 1.00 0.00 H new ATOM 0 HA ASP A 53 13.537 -18.724 23.372 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.308 -20.830 23.644 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.821 -19.969 23.987 1.00 0.00 H new ATOM 857 C LEU A 54 10.414 -14.565 24.311 1.00 0.00 C ATOM 858 CA LEU A 54 9.874 -15.941 23.905 1.00 0.00 C ATOM 859 CB LEU A 54 8.511 -16.207 24.589 1.00 0.00 C ATOM 860 CD1 LEU A 54 6.540 -17.772 25.013 1.00 0.00 C ATOM 861 CD2 LEU A 54 7.575 -17.634 22.684 1.00 0.00 C ATOM 862 CG LEU A 54 7.829 -17.552 24.206 1.00 0.00 C ATOM 874 N LEU A 54 10.811 -17.031 24.236 1.00 0.00 N ATOM 875 O LEU A 54 11.186 -14.440 25.270 1.00 0.00 O ATOM 0 H LEU A 54 10.599 -17.490 25.122 1.00 0.00 H new ATOM 0 HA LEU A 54 9.750 -15.926 22.822 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.654 -16.185 25.669 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.833 -15.391 24.341 1.00 0.00 H new ATOM 0 HG LEU A 54 8.513 -18.361 24.465 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.087 -18.720 24.723 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.776 -17.793 26.077 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.842 -16.959 24.812 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.098 -18.584 22.445 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.924 -16.814 22.379 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.524 -17.561 22.152 1.00 0.00 H new ATOM 876 C GLN A 55 9.831 -11.655 25.171 1.00 0.00 C ATOM 877 CA GLN A 55 10.323 -12.128 23.799 1.00 0.00 C ATOM 878 CB GLN A 55 9.740 -11.220 22.673 1.00 0.00 C ATOM 879 CD GLN A 55 9.477 -8.833 21.711 1.00 0.00 C ATOM 880 CG GLN A 55 10.000 -9.703 22.857 1.00 0.00 C ATOM 889 N GLN A 55 9.959 -13.538 23.565 1.00 0.00 N ATOM 890 NE2 GLN A 55 10.151 -7.718 21.446 1.00 0.00 N ATOM 891 O GLN A 55 10.614 -11.129 25.966 1.00 0.00 O ATOM 892 OE1 GLN A 55 8.485 -9.161 21.063 1.00 0.00 O ATOM 0 H GLN A 55 9.324 -13.666 22.777 1.00 0.00 H new ATOM 0 HA GLN A 55 11.410 -12.053 23.782 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.163 -11.533 21.719 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.664 -11.385 22.614 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.535 -9.376 23.787 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.073 -9.540 22.962 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.970 -7.473 22.002 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.849 -7.108 20.687 1.00 0.00 H new ATOM 893 C ALA A 56 8.560 -11.840 27.944 1.00 0.00 C ATOM 894 CA ALA A 56 7.840 -11.419 26.667 1.00 0.00 C ATOM 895 CB ALA A 56 6.369 -11.898 26.703 1.00 0.00 C ATOM 901 N ALA A 56 8.528 -11.902 25.445 1.00 0.00 N ATOM 902 O ALA A 56 8.673 -11.069 28.902 1.00 0.00 O ATOM 0 H ALA A 56 7.924 -12.442 24.825 1.00 0.00 H new ATOM 0 HA ALA A 56 7.858 -10.330 26.623 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.888 -11.530 27.609 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.840 -11.515 25.830 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.341 -12.988 26.695 1.00 0.00 H new ATOM 903 C THR A 57 10.974 -14.140 29.119 1.00 0.00 C ATOM 904 CA THR A 57 9.489 -13.802 29.087 1.00 0.00 C ATOM 905 CB THR A 57 8.620 -15.081 29.114 1.00 0.00 C ATOM 906 CG2 THR A 57 7.168 -14.713 29.308 1.00 0.00 C ATOM 914 N THR A 57 9.101 -13.049 27.902 1.00 0.00 N ATOM 915 O THR A 57 11.408 -14.975 29.925 1.00 0.00 O ATOM 916 OG1 THR A 57 8.729 -15.786 27.868 1.00 0.00 O ATOM 0 H THR A 57 9.286 -13.543 27.029 1.00 0.00 H new ATOM 0 HA THR A 57 9.321 -13.193 29.975 1.00 0.00 H new ATOM 0 HB THR A 57 8.970 -15.709 29.933 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.673 -15.968 27.676 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.562 -15.619 29.326 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.051 -14.179 30.251 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.842 -14.075 28.487 1.00 0.00 H new ATOM 917 C TYR A 58 13.827 -13.017 29.449 1.00 0.00 C ATOM 918 CA TYR A 58 13.194 -13.645 28.195 1.00 0.00 C ATOM 919 CB TYR A 58 13.734 -13.010 26.892 1.00 0.00 C ATOM 920 CD1 TYR A 58 15.522 -14.742 26.381 1.00 0.00 C ATOM 921 CD2 TYR A 58 16.178 -12.444 26.372 1.00 0.00 C ATOM 922 CE1 TYR A 58 16.809 -15.119 26.053 1.00 0.00 C ATOM 923 CE2 TYR A 58 17.469 -12.818 26.046 1.00 0.00 C ATOM 924 CG TYR A 58 15.176 -13.398 26.553 1.00 0.00 C ATOM 925 CZ TYR A 58 17.781 -14.151 25.881 1.00 0.00 C ATOM 935 N TYR A 58 11.745 -13.474 28.255 1.00 0.00 N ATOM 936 O TYR A 58 14.101 -11.812 29.488 1.00 0.00 O ATOM 937 OH TYR A 58 19.070 -14.517 25.548 1.00 0.00 O ATOM 0 H TYR A 58 11.380 -12.803 27.579 1.00 0.00 H new ATOM 0 HA TYR A 58 13.456 -14.703 28.180 1.00 0.00 H new ATOM 0 HB2 TYR A 58 13.087 -13.302 26.064 1.00 0.00 H new ATOM 0 HB3 TYR A 58 13.672 -11.925 26.978 1.00 0.00 H new ATOM 0 HD1 TYR A 58 14.765 -15.502 26.508 1.00 0.00 H new ATOM 0 HD2 TYR A 58 15.942 -11.397 26.488 1.00 0.00 H new ATOM 0 HE1 TYR A 58 17.055 -16.164 25.932 1.00 0.00 H new ATOM 0 HE2 TYR A 58 18.233 -12.065 25.921 1.00 0.00 H new ATOM 0 HH TYR A 58 19.627 -13.715 25.464 1.00 0.00 H new ATOM 938 C GLY A 59 13.353 -12.875 32.709 1.00 0.00 C ATOM 939 CA GLY A 59 14.464 -13.403 31.798 1.00 0.00 C ATOM 943 N GLY A 59 13.978 -13.849 30.493 1.00 0.00 N ATOM 944 O GLY A 59 13.592 -11.994 33.541 1.00 0.00 O ATOM 0 H GLY A 59 13.766 -14.846 30.451 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.967 -14.233 32.294 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.208 -12.620 31.653 1.00 0.00 H new ATOM 945 C ALA A 60 10.785 -14.196 34.488 1.00 0.00 C ATOM 946 CA ALA A 60 10.975 -13.096 33.432 1.00 0.00 C ATOM 947 CB ALA A 60 9.692 -12.918 32.606 1.00 0.00 C ATOM 953 N ALA A 60 12.128 -13.422 32.556 1.00 0.00 N ATOM 954 O ALA A 60 11.027 -15.380 34.212 1.00 0.00 O ATOM 0 H ALA A 60 11.908 -14.099 31.826 1.00 0.00 H new ATOM 0 HA ALA A 60 11.184 -12.154 33.939 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.862 -12.680 33.271 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.829 -12.107 31.891 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.474 -13.841 32.069 1.00 0.00 H new ATOM 955 C THR A 61 8.860 -15.537 36.695 1.00 0.00 C ATOM 956 CA THR A 61 10.165 -14.702 36.832 1.00 0.00 C ATOM 957 CB THR A 61 10.143 -13.896 38.164 1.00 0.00 C ATOM 958 CG2 THR A 61 11.509 -13.289 38.531 1.00 0.00 C ATOM 966 N THR A 61 10.343 -13.792 35.689 1.00 0.00 N ATOM 967 O THR A 61 7.881 -15.051 36.111 1.00 0.00 O ATOM 968 OG1 THR A 61 9.169 -12.853 38.074 1.00 0.00 O ATOM 0 H THR A 61 10.098 -12.824 35.896 1.00 0.00 H new ATOM 0 HA THR A 61 11.009 -15.392 36.843 1.00 0.00 H new ATOM 0 HB THR A 61 9.887 -14.601 38.955 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.154 -12.346 38.913 1.00 0.00 H new ATOM 0 HG21 THR A 61 11.423 -12.741 39.469 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.243 -14.087 38.642 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.829 -12.609 37.741 1.00 0.00 H new ATOM 969 C PRO A 62 6.351 -17.179 37.736 1.00 0.00 C ATOM 970 CA PRO A 62 7.659 -17.726 37.118 1.00 0.00 C ATOM 971 CB PRO A 62 8.132 -19.023 37.833 1.00 0.00 C ATOM 972 CD PRO A 62 9.918 -17.442 38.046 1.00 0.00 C ATOM 973 CG PRO A 62 9.216 -18.572 38.763 1.00 0.00 C ATOM 981 N PRO A 62 8.823 -16.802 37.255 1.00 0.00 N ATOM 982 O PRO A 62 5.258 -17.556 37.299 1.00 0.00 O ATOM 0 HA PRO A 62 7.397 -17.878 36.071 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.314 -19.495 38.378 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.504 -19.756 37.117 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.803 -18.237 39.714 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.907 -19.386 38.985 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.370 -16.741 38.747 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.717 -17.809 37.402 1.00 0.00 H new ATOM 983 C GLU A 63 4.648 -14.621 38.415 1.00 0.00 C ATOM 984 CA GLU A 63 5.307 -15.629 39.375 1.00 0.00 C ATOM 985 CB GLU A 63 5.698 -14.919 40.706 1.00 0.00 C ATOM 986 CD GLU A 63 8.209 -14.317 41.021 1.00 0.00 C ATOM 987 CG GLU A 63 6.810 -13.837 40.590 1.00 0.00 C ATOM 994 N GLU A 63 6.473 -16.285 38.738 1.00 0.00 N ATOM 995 O GLU A 63 3.430 -14.444 38.439 1.00 0.00 O ATOM 996 OE1 GLU A 63 8.568 -15.480 40.727 1.00 0.00 O ATOM 997 OE2 GLU A 63 8.961 -13.517 41.623 1.00 0.00 O ATOM 0 H GLU A 63 7.371 -15.998 39.127 1.00 0.00 H new ATOM 0 HA GLU A 63 4.589 -16.415 39.609 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.806 -14.454 41.124 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.026 -15.676 41.418 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.859 -13.493 39.557 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.530 -12.978 41.199 1.00 0.00 H new ATOM 998 C GLN A 64 4.406 -13.787 35.317 1.00 0.00 C ATOM 999 CA GLN A 64 4.969 -13.033 36.540 1.00 0.00 C ATOM 1000 CB GLN A 64 6.108 -12.084 36.136 1.00 0.00 C ATOM 1001 CD GLN A 64 7.752 -10.248 36.900 1.00 0.00 C ATOM 1002 CG GLN A 64 6.597 -11.179 37.280 1.00 0.00 C ATOM 1011 N GLN A 64 5.459 -13.980 37.565 1.00 0.00 N ATOM 1012 NE2 GLN A 64 7.850 -9.131 37.409 1.00 0.00 N flip ATOM 1013 O GLN A 64 3.740 -13.196 34.457 1.00 0.00 O ATOM 1014 OE1 GLN A 64 8.663 -10.708 36.048 1.00 0.00 O flip ATOM 0 H GLN A 64 6.472 -14.098 37.563 1.00 0.00 H new ATOM 0 HA GLN A 64 4.153 -12.443 36.958 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.947 -12.674 35.768 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.771 -11.459 35.309 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.761 -10.575 37.632 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.911 -11.806 38.114 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.136 -8.803 38.060 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.645 -8.534 37.180 1.00 0.00 H new ATOM 1015 C LEU A 65 2.902 -16.753 34.898 1.00 0.00 C ATOM 1016 CA LEU A 65 4.116 -16.046 34.270 1.00 0.00 C ATOM 1017 CB LEU A 65 5.208 -17.064 33.818 1.00 0.00 C ATOM 1018 CD1 LEU A 65 7.510 -17.471 32.744 1.00 0.00 C ATOM 1019 CD2 LEU A 65 6.355 -15.196 32.504 1.00 0.00 C ATOM 1020 CG LEU A 65 6.573 -16.434 33.395 1.00 0.00 C ATOM 1032 N LEU A 65 4.690 -15.108 35.262 1.00 0.00 N ATOM 1033 O LEU A 65 2.456 -17.807 34.436 1.00 0.00 O ATOM 0 H LEU A 65 5.333 -15.558 35.914 1.00 0.00 H new ATOM 0 HA LEU A 65 3.780 -15.508 33.384 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.387 -17.765 34.633 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.818 -17.642 32.980 1.00 0.00 H new ATOM 0 HG LEU A 65 7.079 -16.096 34.300 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.448 -16.990 32.465 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.711 -18.275 33.452 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.035 -17.882 31.854 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.321 -14.776 32.223 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.810 -15.486 31.606 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.780 -14.450 33.052 1.00 0.00 H new ATOM 1034 C ARG A 66 0.207 -15.160 36.362 1.00 0.00 C ATOM 1035 CA ARG A 66 1.069 -16.422 36.543 1.00 0.00 C ATOM 1036 CB ARG A 66 1.184 -16.802 38.042 1.00 0.00 C ATOM 1037 CD ARG A 66 2.045 -18.455 39.804 1.00 0.00 C ATOM 1038 CG ARG A 66 2.129 -17.991 38.338 1.00 0.00 C ATOM 1039 CZ ARG A 66 0.013 -18.491 41.289 1.00 0.00 C ATOM 1053 N ARG A 66 2.395 -16.151 35.985 1.00 0.00 N ATOM 1054 NE ARG A 66 0.665 -18.848 40.167 1.00 0.00 N ATOM 1055 NH1 ARG A 66 0.598 -17.733 42.213 1.00 0.00 N ATOM 1056 NH2 ARG A 66 -1.230 -18.895 41.476 1.00 0.00 N ATOM 1057 O ARG A 66 -1.017 -15.242 36.189 1.00 0.00 O ATOM 0 H ARG A 66 2.912 -15.446 36.510 1.00 0.00 H new ATOM 0 HA ARG A 66 0.605 -17.262 36.026 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.533 -15.931 38.598 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.190 -17.043 38.419 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.878 -18.824 37.681 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.155 -17.702 38.109 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.718 -19.298 39.960 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.381 -17.653 40.461 1.00 0.00 H new ATOM 0 HE ARG A 66 0.163 -19.443 39.508 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.557 -17.412 42.077 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.088 -17.473 43.057 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.689 -19.474 40.773 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.731 -18.629 42.324 1.00 0.00 H new ATOM 1058 C GLU A 67 0.095 -12.378 34.705 1.00 0.00 C ATOM 1059 CA GLU A 67 0.217 -12.680 36.205 1.00 0.00 C ATOM 1060 CB GLU A 67 1.007 -11.575 36.940 1.00 0.00 C ATOM 1061 CD GLU A 67 0.099 -12.104 39.288 1.00 0.00 C ATOM 1062 CG GLU A 67 1.342 -11.872 38.412 1.00 0.00 C ATOM 1069 N GLU A 67 0.871 -13.981 36.391 1.00 0.00 N ATOM 1070 O GLU A 67 0.914 -11.654 34.105 1.00 0.00 O ATOM 1071 OE1 GLU A 67 -0.487 -11.117 39.781 1.00 0.00 O ATOM 1072 OE2 GLU A 67 -0.302 -13.274 39.486 1.00 0.00 O ATOM 0 H GLU A 67 1.877 -13.913 36.545 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.785 -12.710 36.633 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.938 -11.398 36.402 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.432 -10.650 36.895 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.981 -12.754 38.460 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.915 -11.040 38.821 1.00 0.00 H new ATOM 1073 C ILE A 68 -2.536 -12.562 32.283 1.00 0.00 C ATOM 1074 CA ILE A 68 -1.117 -13.041 32.660 1.00 0.00 C ATOM 1075 CB ILE A 68 -0.886 -14.526 32.175 1.00 0.00 C ATOM 1076 CD1 ILE A 68 0.864 -16.440 32.103 1.00 0.00 C ATOM 1077 CG1 ILE A 68 0.602 -14.975 32.377 1.00 0.00 C ATOM 1078 CG2 ILE A 68 -1.284 -14.715 30.699 1.00 0.00 C ATOM 1090 N ILE A 68 -0.928 -12.984 34.106 1.00 0.00 N ATOM 1091 O ILE A 68 -3.504 -12.861 32.986 1.00 0.00 O ATOM 0 H ILE A 68 -1.665 -13.460 34.626 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.400 -12.382 32.170 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.529 -15.153 32.792 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.239 -14.378 31.724 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.898 -14.753 33.402 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.110 -15.750 30.405 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.340 -14.475 30.573 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.685 -14.054 30.073 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.919 -16.658 32.269 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.258 -17.050 32.773 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.604 -16.669 31.070 1.00 0.00 H new ATOM 1092 C GLU A 69 -3.835 -11.762 29.055 1.00 0.00 C ATOM 1093 CA GLU A 69 -3.906 -11.406 30.554 1.00 0.00 C ATOM 1094 CB GLU A 69 -4.132 -9.879 30.766 1.00 0.00 C ATOM 1095 CD GLU A 69 -5.626 -7.815 30.375 1.00 0.00 C ATOM 1096 CG GLU A 69 -5.412 -9.314 30.115 1.00 0.00 C ATOM 1103 N GLU A 69 -2.632 -11.809 31.180 1.00 0.00 N ATOM 1104 O GLU A 69 -2.747 -11.888 28.525 1.00 0.00 O ATOM 1105 OE1 GLU A 69 -4.741 -7.004 30.014 1.00 0.00 O ATOM 1106 OE2 GLU A 69 -6.695 -7.428 30.920 1.00 0.00 O ATOM 0 H GLU A 69 -1.814 -11.454 30.685 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.747 -11.930 31.007 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.167 -9.677 31.837 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.272 -9.341 30.368 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.368 -9.485 29.039 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.274 -9.866 30.490 1.00 0.00 H new ATOM 1107 C ILE A 70 -4.735 -10.833 26.171 1.00 0.00 C ATOM 1108 CA ILE A 70 -5.028 -12.169 26.907 1.00 0.00 C ATOM 1109 CB ILE A 70 -6.421 -12.793 26.474 1.00 0.00 C ATOM 1110 CD1 ILE A 70 -5.626 -15.213 27.031 1.00 0.00 C ATOM 1111 CG1 ILE A 70 -6.684 -14.143 27.232 1.00 0.00 C ATOM 1112 CG2 ILE A 70 -6.556 -12.994 24.933 1.00 0.00 C ATOM 1124 N ILE A 70 -4.983 -11.951 28.381 1.00 0.00 N ATOM 1125 O ILE A 70 -4.906 -9.760 26.757 1.00 0.00 O ATOM 0 H ILE A 70 -5.900 -11.959 28.827 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.257 -12.886 26.624 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.183 -12.067 26.758 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.767 -13.932 28.298 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.646 -14.541 26.910 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.532 -13.424 24.706 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.458 -12.032 24.431 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.773 -13.667 24.584 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.899 -16.105 27.595 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -5.555 -15.461 25.972 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.663 -14.843 27.382 1.00 0.00 H new ATOM 1126 C SER A 71 -4.970 -8.687 23.967 1.00 0.00 C ATOM 1127 CA SER A 71 -3.843 -9.739 24.099 1.00 0.00 C ATOM 1128 CB SER A 71 -3.410 -10.198 22.688 1.00 0.00 C ATOM 1134 N SER A 71 -4.250 -10.914 24.911 1.00 0.00 N ATOM 1135 O SER A 71 -6.154 -9.049 23.994 1.00 0.00 O ATOM 1136 OG SER A 71 -4.467 -10.866 22.015 1.00 0.00 O ATOM 0 H SER A 71 -4.128 -11.802 24.424 1.00 0.00 H new ATOM 0 HA SER A 71 -3.009 -9.268 24.620 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.093 -9.334 22.104 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.550 -10.862 22.768 1.00 0.00 H new ATOM 0 HG SER A 71 -4.381 -10.724 21.049 1.00 0.00 H new ATOM 1137 C PRO A 72 -6.303 -6.351 22.146 1.00 0.00 C ATOM 1138 CA PRO A 72 -5.619 -6.286 23.547 1.00 0.00 C ATOM 1139 CB PRO A 72 -4.773 -5.003 23.726 1.00 0.00 C ATOM 1140 CD PRO A 72 -3.228 -6.824 23.757 1.00 0.00 C ATOM 1141 CG PRO A 72 -3.407 -5.405 23.273 1.00 0.00 C ATOM 1149 N PRO A 72 -4.619 -7.371 23.765 1.00 0.00 N ATOM 1150 O PRO A 72 -6.952 -5.390 21.717 1.00 0.00 O ATOM 0 HA PRO A 72 -6.462 -6.351 24.235 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.165 -4.180 23.129 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.768 -4.670 24.764 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.319 -5.345 22.188 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.645 -4.748 23.691 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.577 -7.394 23.095 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.779 -6.855 24.750 1.00 0.00 H new ATOM 1151 C SER A 73 -7.786 -9.070 20.524 1.00 0.00 C ATOM 1152 CA SER A 73 -6.899 -7.838 20.232 1.00 0.00 C ATOM 1153 CB SER A 73 -5.952 -8.129 19.040 1.00 0.00 C ATOM 1159 N SER A 73 -6.120 -7.482 21.436 1.00 0.00 N ATOM 1160 O SER A 73 -8.927 -9.160 20.045 1.00 0.00 O ATOM 1161 OG SER A 73 -6.681 -8.441 17.866 1.00 0.00 O ATOM 0 H SER A 73 -5.420 -8.181 21.684 1.00 0.00 H new ATOM 0 HA SER A 73 -7.538 -6.996 19.966 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.318 -7.262 18.857 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.292 -8.959 19.292 1.00 0.00 H new ATOM 0 HG SER A 73 -7.001 -7.613 17.450 1.00 0.00 H new ATOM 1162 C GLY A 74 -7.210 -12.477 20.932 1.00 0.00 C ATOM 1163 CA GLY A 74 -7.893 -11.294 21.631 1.00 0.00 C ATOM 1167 N GLY A 74 -7.243 -10.007 21.333 1.00 0.00 N ATOM 1168 O GLY A 74 -7.542 -13.636 21.204 1.00 0.00 O ATOM 0 H GLY A 74 -6.342 -9.888 21.796 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.885 -11.460 22.708 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.938 -11.249 21.323 1.00 0.00 H new ATOM 1169 C LEU A 75 -4.475 -13.882 20.327 1.00 0.00 C ATOM 1170 CA LEU A 75 -5.417 -13.176 19.338 1.00 0.00 C ATOM 1171 CB LEU A 75 -4.587 -12.507 18.201 1.00 0.00 C ATOM 1172 CD1 LEU A 75 -4.440 -11.501 15.875 1.00 0.00 C ATOM 1173 CD2 LEU A 75 -5.525 -13.767 16.206 1.00 0.00 C ATOM 1174 CG LEU A 75 -5.276 -12.375 16.821 1.00 0.00 C ATOM 1186 N LEU A 75 -6.252 -12.170 20.029 1.00 0.00 N ATOM 1187 O LEU A 75 -4.745 -14.999 20.757 1.00 0.00 O ATOM 0 H LEU A 75 -6.036 -11.211 19.758 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.082 -13.921 18.901 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.297 -11.510 18.533 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.668 -13.079 18.069 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.240 -11.887 16.965 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.944 -11.423 14.912 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.324 -10.507 16.306 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.458 -11.953 15.735 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.010 -13.655 15.236 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.574 -14.284 16.078 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.167 -14.348 16.868 1.00 0.00 H new ATOM 1188 C GLY A 76 -2.483 -13.511 22.947 1.00 0.00 C ATOM 1189 CA GLY A 76 -2.304 -13.796 21.490 1.00 0.00 C ATOM 1193 N GLY A 76 -3.363 -13.203 20.677 1.00 0.00 N ATOM 1194 O GLY A 76 -3.613 -13.532 23.455 1.00 0.00 O ATOM 0 H GLY A 76 -3.183 -12.237 20.402 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.288 -14.874 21.332 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.338 -13.411 21.162 1.00 0.00 H new ATOM 1195 C VAL A 77 -0.787 -11.507 25.258 1.00 0.00 C ATOM 1196 CA VAL A 77 -1.380 -12.906 25.045 1.00 0.00 C ATOM 1197 CB VAL A 77 -0.560 -13.983 25.857 1.00 0.00 C ATOM 1198 CG1 VAL A 77 0.941 -13.670 25.887 1.00 0.00 C ATOM 1199 CG2 VAL A 77 -1.133 -14.169 27.268 1.00 0.00 C ATOM 1209 N VAL A 77 -1.378 -13.215 23.622 1.00 0.00 N ATOM 1210 O VAL A 77 -0.177 -10.935 24.360 1.00 0.00 O ATOM 0 H VAL A 77 -0.452 -13.183 23.195 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.406 -12.926 25.411 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.666 -14.931 25.330 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.462 -14.439 26.457 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.329 -13.648 24.868 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.101 -12.700 26.357 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.547 -14.917 27.803 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.090 -13.222 27.806 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.169 -14.501 27.199 1.00 0.00 H new ATOM 1211 C TYR A 78 -0.093 -9.983 28.444 1.00 0.00 C ATOM 1212 CA TYR A 78 -0.371 -9.773 26.955 1.00 0.00 C ATOM 1213 CB TYR A 78 -1.292 -8.555 26.709 1.00 0.00 C ATOM 1214 CD1 TYR A 78 -0.994 -6.602 28.339 1.00 0.00 C ATOM 1215 CD2 TYR A 78 0.216 -6.556 26.275 1.00 0.00 C ATOM 1216 CE1 TYR A 78 -0.439 -5.392 28.695 1.00 0.00 C ATOM 1217 CE2 TYR A 78 0.772 -5.348 26.631 1.00 0.00 C ATOM 1218 CG TYR A 78 -0.680 -7.212 27.117 1.00 0.00 C ATOM 1219 CZ TYR A 78 0.443 -4.771 27.837 1.00 0.00 C ATOM 1229 N TYR A 78 -0.991 -10.990 26.461 1.00 0.00 N ATOM 1230 O TYR A 78 -1.001 -9.870 29.276 1.00 0.00 O ATOM 1231 OH TYR A 78 0.996 -3.561 28.183 1.00 0.00 O ATOM 0 H TYR A 78 -1.615 -11.423 27.142 1.00 0.00 H new ATOM 0 HA TYR A 78 0.561 -9.565 26.429 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.550 -8.517 25.651 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.222 -8.700 27.259 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.683 -7.089 29.013 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.479 -7.003 25.327 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.693 -4.934 29.639 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.465 -4.854 25.966 1.00 0.00 H new ATOM 0 HH TYR A 78 1.973 -3.627 28.152 1.00 0.00 H new ATOM 1232 C PHE A 79 1.560 -9.243 30.899 1.00 0.00 C ATOM 1233 CA PHE A 79 1.557 -10.579 30.162 1.00 0.00 C ATOM 1234 CB PHE A 79 2.917 -11.304 30.237 1.00 0.00 C ATOM 1235 CD1 PHE A 79 1.767 -13.445 29.586 1.00 0.00 C ATOM 1236 CD2 PHE A 79 4.018 -13.306 29.175 1.00 0.00 C ATOM 1237 CE1 PHE A 79 1.747 -14.720 29.052 1.00 0.00 C ATOM 1238 CE2 PHE A 79 3.995 -14.582 28.645 1.00 0.00 C ATOM 1239 CG PHE A 79 2.902 -12.720 29.650 1.00 0.00 C ATOM 1240 CZ PHE A 79 2.863 -15.284 28.591 1.00 0.00 C ATOM 1250 N PHE A 79 1.150 -10.363 28.770 1.00 0.00 N ATOM 1251 O PHE A 79 2.396 -8.377 30.634 1.00 0.00 O ATOM 0 H PHE A 79 1.890 -10.527 28.087 1.00 0.00 H new ATOM 0 HA PHE A 79 0.840 -11.234 30.657 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.663 -10.711 29.708 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.232 -11.357 31.279 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.849 -13.018 29.962 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.953 -12.766 29.209 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.816 -15.265 29.008 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.909 -15.018 28.268 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.851 -16.284 28.184 1.00 0.00 H new ATOM 1252 C GLU A 80 1.248 -7.175 33.201 1.00 0.00 C ATOM 1253 CA GLU A 80 0.134 -7.846 32.378 1.00 0.00 C ATOM 1254 CB GLU A 80 -1.105 -8.106 33.274 1.00 0.00 C ATOM 1255 CD GLU A 80 -2.827 -7.148 34.922 1.00 0.00 C ATOM 1256 CG GLU A 80 -1.756 -6.841 33.862 1.00 0.00 C ATOM 1263 N GLU A 80 0.587 -9.125 31.808 1.00 0.00 N ATOM 1264 O GLU A 80 1.541 -5.984 33.030 1.00 0.00 O ATOM 1265 OE1 GLU A 80 -2.485 -7.192 36.128 1.00 0.00 O ATOM 1266 OE2 GLU A 80 -4.005 -7.358 34.563 1.00 0.00 O ATOM 0 H GLU A 80 0.081 -9.930 32.177 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.128 -7.171 31.563 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.852 -8.643 32.689 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.811 -8.761 34.094 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.982 -6.215 34.307 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.208 -6.264 33.055 1.00 0.00 H new ATOM 1267 C THR A 81 4.259 -7.260 34.214 1.00 0.00 C ATOM 1268 CA THR A 81 2.946 -7.536 34.975 1.00 0.00 C ATOM 1269 CB THR A 81 3.122 -8.610 36.091 1.00 0.00 C ATOM 1270 CG2 THR A 81 4.264 -8.327 37.079 1.00 0.00 C ATOM 1278 N THR A 81 1.875 -7.977 34.068 1.00 0.00 N ATOM 1279 O THR A 81 5.070 -6.424 34.638 1.00 0.00 O ATOM 1280 OG1 THR A 81 1.890 -8.693 36.819 1.00 0.00 O ATOM 0 H THR A 81 1.651 -8.968 34.163 1.00 0.00 H new ATOM 0 HA THR A 81 2.670 -6.588 35.436 1.00 0.00 H new ATOM 0 HB THR A 81 3.384 -9.543 35.593 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.054 -9.102 37.694 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.311 -9.126 37.819 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.209 -8.277 36.538 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.083 -7.377 37.582 1.00 0.00 H new ATOM 1281 C LEU A 82 5.337 -6.500 31.263 1.00 0.00 C ATOM 1282 CA LEU A 82 5.610 -7.702 32.182 1.00 0.00 C ATOM 1283 CB LEU A 82 5.898 -8.961 31.307 1.00 0.00 C ATOM 1284 CD1 LEU A 82 6.425 -11.461 31.116 1.00 0.00 C ATOM 1285 CD2 LEU A 82 6.940 -10.240 33.256 1.00 0.00 C ATOM 1286 CG LEU A 82 6.001 -10.324 32.056 1.00 0.00 C ATOM 1298 N LEU A 82 4.448 -7.944 33.066 1.00 0.00 N ATOM 1299 O LEU A 82 6.273 -5.905 30.724 1.00 0.00 O ATOM 0 H LEU A 82 3.813 -8.667 32.729 1.00 0.00 H new ATOM 0 HA LEU A 82 6.477 -7.492 32.808 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.110 -9.043 30.558 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.832 -8.796 30.770 1.00 0.00 H new ATOM 0 HG LEU A 82 5.002 -10.553 32.427 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.485 -12.394 31.677 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.691 -11.565 30.317 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.400 -11.233 30.686 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.985 -11.210 33.751 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.937 -9.958 32.918 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.569 -9.492 33.956 1.00 0.00 H new ATOM 1300 C GLU A 83 4.003 -5.541 28.695 1.00 0.00 C ATOM 1301 CA GLU A 83 3.524 -5.184 30.124 1.00 0.00 C ATOM 1302 CB GLU A 83 3.908 -3.732 30.511 1.00 0.00 C ATOM 1303 CD GLU A 83 3.759 -1.820 32.210 1.00 0.00 C ATOM 1304 CG GLU A 83 3.314 -3.246 31.847 1.00 0.00 C ATOM 1311 N GLU A 83 4.034 -6.150 31.125 1.00 0.00 N ATOM 1312 O GLU A 83 4.077 -4.681 27.816 1.00 0.00 O ATOM 1313 OE1 GLU A 83 3.237 -0.852 31.613 1.00 0.00 O ATOM 1314 OE2 GLU A 83 4.642 -1.654 33.074 1.00 0.00 O ATOM 0 H GLU A 83 3.298 -6.538 31.716 1.00 0.00 H new ATOM 0 HA GLU A 83 2.436 -5.249 30.121 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.994 -3.659 30.564 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.581 -3.060 29.717 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.226 -3.279 31.790 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.612 -3.929 32.642 1.00 0.00 H new ATOM 1315 C GLU A 84 3.956 -8.501 26.703 1.00 0.00 C ATOM 1316 CA GLU A 84 4.841 -7.359 27.219 1.00 0.00 C ATOM 1317 CB GLU A 84 6.298 -7.870 27.456 1.00 0.00 C ATOM 1318 CD GLU A 84 7.559 -6.721 25.513 1.00 0.00 C ATOM 1319 CG GLU A 84 7.145 -8.041 26.172 1.00 0.00 C ATOM 1326 N GLU A 84 4.257 -6.841 28.467 1.00 0.00 N ATOM 1327 O GLU A 84 3.488 -9.330 27.490 1.00 0.00 O ATOM 1328 OE1 GLU A 84 8.671 -6.222 25.805 1.00 0.00 O ATOM 1329 OE2 GLU A 84 6.778 -6.174 24.702 1.00 0.00 O ATOM 0 H GLU A 84 4.060 -7.570 29.153 1.00 0.00 H new ATOM 0 HA GLU A 84 4.886 -6.558 26.481 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.808 -7.173 28.120 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.252 -8.828 27.974 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.042 -8.610 26.415 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.578 -8.632 25.452 1.00 0.00 H new ATOM 1330 C ASP A 85 3.636 -10.657 24.106 1.00 0.00 C ATOM 1331 CA ASP A 85 2.846 -9.493 24.726 1.00 0.00 C ATOM 1332 CB ASP A 85 2.009 -8.761 23.633 1.00 0.00 C ATOM 1333 CG ASP A 85 2.859 -8.244 22.456 1.00 0.00 C ATOM 1338 N ASP A 85 3.744 -8.531 25.386 1.00 0.00 N ATOM 1339 O ASP A 85 4.859 -10.576 23.928 1.00 0.00 O ATOM 1340 OD1 ASP A 85 2.961 -8.943 21.417 1.00 0.00 O ATOM 1341 OD2 ASP A 85 3.435 -7.138 22.567 1.00 0.00 O ATOM 0 H ASP A 85 4.193 -7.884 24.738 1.00 0.00 H new ATOM 0 HA ASP A 85 2.175 -9.911 25.476 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.249 -9.442 23.251 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.484 -7.921 24.089 1.00 0.00 H new ATOM 1342 C VAL A 86 2.320 -13.015 21.854 1.00 0.00 C ATOM 1343 CA VAL A 86 3.384 -12.848 22.954 1.00 0.00 C ATOM 1344 CB VAL A 86 3.596 -14.225 23.716 1.00 0.00 C ATOM 1345 CG1 VAL A 86 4.205 -15.284 22.784 1.00 0.00 C ATOM 1346 CG2 VAL A 86 4.468 -14.069 24.967 1.00 0.00 C ATOM 1356 N VAL A 86 2.914 -11.749 23.818 1.00 0.00 N ATOM 1357 O VAL A 86 1.238 -13.565 22.110 1.00 0.00 O ATOM 0 H VAL A 86 1.973 -11.899 24.183 1.00 0.00 H new ATOM 0 HA VAL A 86 4.367 -12.590 22.560 1.00 0.00 H new ATOM 0 HB VAL A 86 2.609 -14.557 24.037 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.339 -16.217 23.332 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.537 -15.452 21.939 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.171 -14.935 22.419 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.584 -15.038 25.453 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.448 -13.687 24.682 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.993 -13.371 25.657 1.00 0.00 H new ATOM 1358 C SER A 87 1.404 -13.956 19.091 1.00 0.00 C ATOM 1359 CA SER A 87 1.698 -12.509 19.498 1.00 0.00 C ATOM 1360 CB SER A 87 2.301 -11.737 18.299 1.00 0.00 C ATOM 1366 N SER A 87 2.605 -12.454 20.661 1.00 0.00 N ATOM 1367 O SER A 87 2.335 -14.733 18.841 1.00 0.00 O ATOM 1368 OG SER A 87 1.468 -11.821 17.148 1.00 0.00 O ATOM 0 H SER A 87 3.472 -11.949 20.478 1.00 0.00 H new ATOM 0 HA SER A 87 0.760 -12.037 19.789 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.440 -10.691 18.572 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.287 -12.139 18.065 1.00 0.00 H new ATOM 0 HG SER A 87 1.877 -11.322 16.411 1.00 0.00 H new ATOM 1369 C LEU A 88 0.111 -15.914 17.179 1.00 0.00 C ATOM 1370 CA LEU A 88 -0.344 -15.637 18.604 1.00 0.00 C ATOM 1371 CB LEU A 88 -1.885 -15.778 18.659 1.00 0.00 C ATOM 1372 CD1 LEU A 88 -1.943 -17.978 19.916 1.00 0.00 C ATOM 1373 CD2 LEU A 88 -3.959 -17.260 18.503 1.00 0.00 C ATOM 1374 CG LEU A 88 -2.420 -17.233 18.649 1.00 0.00 C ATOM 1386 N LEU A 88 0.101 -14.301 19.025 1.00 0.00 N ATOM 1387 O LEU A 88 0.714 -16.946 16.907 1.00 0.00 O ATOM 0 H LEU A 88 -0.661 -13.666 19.260 1.00 0.00 H new ATOM 0 HA LEU A 88 0.099 -16.353 19.296 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.246 -15.282 19.560 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.312 -15.246 17.809 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.015 -17.753 17.781 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.323 -19.000 19.902 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.853 -17.996 19.939 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.316 -17.464 20.802 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.306 -18.293 18.499 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.413 -16.728 19.339 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.244 -16.778 17.568 1.00 0.00 H new ATOM 1388 C ILE A 89 1.684 -15.169 14.713 1.00 0.00 C ATOM 1389 CA ILE A 89 0.175 -15.022 14.872 1.00 0.00 C ATOM 1390 CB ILE A 89 -0.334 -13.775 14.059 1.00 0.00 C ATOM 1391 CD1 ILE A 89 -2.736 -14.730 13.996 1.00 0.00 C ATOM 1392 CG1 ILE A 89 -1.850 -13.543 14.317 1.00 0.00 C ATOM 1393 CG2 ILE A 89 -0.045 -13.930 12.539 1.00 0.00 C ATOM 1405 N ILE A 89 -0.164 -14.938 16.294 1.00 0.00 N ATOM 1406 O ILE A 89 2.128 -16.011 13.947 1.00 0.00 O ATOM 0 H ILE A 89 -0.630 -14.068 16.552 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.330 -15.898 14.465 1.00 0.00 H new ATOM 0 HB ILE A 89 0.214 -12.899 14.406 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.990 -13.275 15.364 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.179 -12.690 13.724 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.410 -13.051 12.008 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.029 -14.030 12.381 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.551 -14.818 12.161 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.775 -14.476 14.207 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.632 -14.987 12.942 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.439 -15.582 14.608 1.00 0.00 H new ATOM 1407 C GLY A 90 4.360 -15.957 15.799 1.00 0.00 C ATOM 1408 CA GLY A 90 3.896 -14.513 15.580 1.00 0.00 C ATOM 1412 N GLY A 90 2.440 -14.401 15.523 1.00 0.00 N ATOM 1413 O GLY A 90 5.172 -16.472 15.028 1.00 0.00 O ATOM 0 H GLY A 90 2.054 -13.693 16.148 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.324 -14.133 14.652 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.275 -13.886 16.387 1.00 0.00 H new ATOM 1414 C LEU A 91 3.685 -18.975 15.946 1.00 0.00 C ATOM 1415 CA LEU A 91 4.028 -18.048 17.133 1.00 0.00 C ATOM 1416 CB LEU A 91 3.219 -18.467 18.392 1.00 0.00 C ATOM 1417 CD1 LEU A 91 2.622 -18.129 20.860 1.00 0.00 C ATOM 1418 CD2 LEU A 91 5.030 -17.750 20.053 1.00 0.00 C ATOM 1419 CG LEU A 91 3.527 -17.669 19.694 1.00 0.00 C ATOM 1431 N LEU A 91 3.749 -16.628 16.802 1.00 0.00 N ATOM 1432 O LEU A 91 4.435 -19.902 15.625 1.00 0.00 O ATOM 0 H LEU A 91 3.047 -16.201 17.407 1.00 0.00 H new ATOM 0 HA LEU A 91 5.093 -18.147 17.341 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.157 -18.365 18.169 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.404 -19.524 18.584 1.00 0.00 H new ATOM 0 HG LEU A 91 3.298 -16.619 19.511 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.861 -17.554 21.755 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.577 -17.970 20.594 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.789 -19.188 21.054 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.217 -17.184 20.966 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.312 -18.792 20.207 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.622 -17.331 19.239 1.00 0.00 H new ATOM 1433 C LEU A 92 2.889 -19.163 12.842 1.00 0.00 C ATOM 1434 CA LEU A 92 2.051 -19.433 14.119 1.00 0.00 C ATOM 1435 CB LEU A 92 0.557 -19.066 13.896 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -1.760 -18.666 14.916 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -0.478 -20.800 15.484 1.00 0.00 C ATOM 1438 CG LEU A 92 -0.375 -19.300 15.128 1.00 0.00 C ATOM 1450 N LEU A 92 2.566 -18.665 15.275 1.00 0.00 N ATOM 1451 O LEU A 92 2.820 -19.938 11.875 1.00 0.00 O ATOM 0 H LEU A 92 1.982 -17.865 15.519 1.00 0.00 H new ATOM 0 HA LEU A 92 2.135 -20.499 14.332 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.496 -18.016 13.608 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.177 -19.649 13.057 1.00 0.00 H new ATOM 0 HG LEU A 92 0.080 -18.798 15.982 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.382 -18.848 15.793 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.649 -17.592 14.767 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.232 -19.108 14.038 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.134 -20.925 16.345 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.885 -21.348 14.635 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.513 -21.186 15.723 1.00 0.00 H new ATOM 1452 C GLU A 93 6.027 -18.273 12.073 1.00 0.00 C ATOM 1453 CA GLU A 93 4.619 -17.708 11.767 1.00 0.00 C ATOM 1454 CB GLU A 93 4.707 -16.157 11.575 1.00 0.00 C ATOM 1455 CD GLU A 93 2.674 -15.997 9.991 1.00 0.00 C ATOM 1456 CG GLU A 93 3.385 -15.437 11.227 1.00 0.00 C ATOM 1463 N GLU A 93 3.663 -18.055 12.846 1.00 0.00 N ATOM 1464 O GLU A 93 6.910 -18.249 11.203 1.00 0.00 O ATOM 1465 OE1 GLU A 93 1.756 -16.834 10.136 1.00 0.00 O ATOM 1466 OE2 GLU A 93 3.041 -15.616 8.862 1.00 0.00 O ATOM 0 H GLU A 93 3.643 -17.371 13.602 1.00 0.00 H new ATOM 0 HA GLU A 93 4.250 -18.158 10.845 1.00 0.00 H new ATOM 0 HB2 GLU A 93 5.104 -15.720 12.491 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.428 -15.950 10.785 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.712 -15.504 12.082 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.592 -14.379 11.066 1.00 0.00 H new ATOM 1467 C GLY A 94 8.370 -18.286 14.556 1.00 0.00 C ATOM 1468 CA GLY A 94 7.544 -19.294 13.748 1.00 0.00 C ATOM 1472 N GLY A 94 6.239 -18.754 13.316 1.00 0.00 N ATOM 1473 O GLY A 94 9.451 -18.611 15.058 1.00 0.00 O ATOM 0 H GLY A 94 5.520 -18.779 14.039 1.00 0.00 H new ATOM 0 HA2 GLY A 94 7.380 -20.187 14.351 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.113 -19.601 12.870 1.00 0.00 H new ATOM 1474 C ARG A 95 8.073 -16.168 16.957 1.00 0.00 C ATOM 1475 CA ARG A 95 8.456 -15.974 15.475 1.00 0.00 C ATOM 1476 CB ARG A 95 7.990 -14.566 14.967 1.00 0.00 C ATOM 1477 CD ARG A 95 8.101 -14.919 12.385 1.00 0.00 C ATOM 1478 CG ARG A 95 8.582 -14.104 13.602 1.00 0.00 C ATOM 1479 CZ ARG A 95 8.473 -14.958 9.899 1.00 0.00 C ATOM 1493 N ARG A 95 7.854 -17.051 14.664 1.00 0.00 N ATOM 1494 NE ARG A 95 8.765 -14.502 11.133 1.00 0.00 N ATOM 1495 NH1 ARG A 95 7.543 -15.889 9.704 1.00 0.00 N ATOM 1496 NH2 ARG A 95 9.153 -14.498 8.865 1.00 0.00 N ATOM 1497 O ARG A 95 6.966 -16.597 17.269 1.00 0.00 O ATOM 0 H ARG A 95 6.998 -16.767 14.187 1.00 0.00 H new ATOM 0 HA ARG A 95 9.540 -16.023 15.376 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.903 -14.572 14.886 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.249 -13.825 15.723 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.325 -13.056 13.446 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.669 -14.161 13.654 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.293 -15.977 12.560 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.022 -14.804 12.277 1.00 0.00 H new ATOM 0 HE ARG A 95 9.509 -13.809 11.209 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.032 -16.274 10.499 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.340 -16.218 8.760 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.889 -13.806 9.006 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.942 -14.835 7.925 1.00 0.00 H new ATOM 1498 C ARG A 96 8.552 -14.478 19.880 1.00 0.00 C ATOM 1499 CA ARG A 96 8.773 -15.901 19.330 1.00 0.00 C ATOM 1500 CB ARG A 96 9.949 -16.628 20.079 1.00 0.00 C ATOM 1501 CD ARG A 96 11.413 -17.757 18.280 1.00 0.00 C ATOM 1502 CG ARG A 96 11.324 -16.664 19.370 1.00 0.00 C ATOM 1503 CZ ARG A 96 13.622 -18.691 17.574 1.00 0.00 C ATOM 1517 N ARG A 96 9.006 -15.855 17.861 1.00 0.00 N ATOM 1518 NE ARG A 96 12.695 -17.721 17.547 1.00 0.00 N ATOM 1519 NH1 ARG A 96 13.512 -19.726 18.411 1.00 0.00 N ATOM 1520 NH2 ARG A 96 14.683 -18.600 16.788 1.00 0.00 N ATOM 1521 O ARG A 96 8.347 -14.283 21.087 1.00 0.00 O ATOM 0 H ARG A 96 9.949 -15.561 17.607 1.00 0.00 H new ATOM 0 HA ARG A 96 7.870 -16.484 19.513 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.081 -16.147 21.048 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.642 -17.656 20.273 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.519 -15.691 18.918 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.105 -16.834 20.112 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.289 -18.737 18.741 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.591 -17.631 17.575 1.00 0.00 H new ATOM 0 HE ARG A 96 12.890 -16.897 16.978 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.714 -19.788 19.043 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.226 -20.454 18.418 1.00 0.00 H new ATOM 0 HH21 ARG A 96 14.791 -17.797 16.168 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.392 -19.333 16.802 1.00 0.00 H new ATOM 1522 C GLY A 97 8.582 -11.253 18.033 1.00 0.00 C ATOM 1523 CA GLY A 97 8.393 -12.098 19.272 1.00 0.00 C ATOM 1527 N GLY A 97 8.590 -13.501 18.965 1.00 0.00 N ATOM 1528 O GLY A 97 8.428 -11.746 16.903 1.00 0.00 O ATOM 0 H GLY A 97 8.762 -13.678 17.975 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.392 -11.945 19.674 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.097 -11.786 20.043 1.00 0.00 H new ATOM 1529 C SER A 98 10.538 -9.442 16.482 1.00 0.00 C ATOM 1530 CA SER A 98 9.216 -9.034 17.162 1.00 0.00 C ATOM 1531 CB SER A 98 9.295 -7.602 17.733 1.00 0.00 C ATOM 1537 N SER A 98 8.904 -9.973 18.242 1.00 0.00 N ATOM 1538 O SER A 98 11.466 -9.934 17.150 1.00 0.00 O ATOM 1539 OG SER A 98 8.078 -7.241 18.374 1.00 0.00 O ATOM 0 H SER A 98 8.956 -9.557 19.172 1.00 0.00 H new ATOM 0 HA SER A 98 8.429 -9.059 16.408 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.118 -7.535 18.444 1.00 0.00 H new ATOM 0 HB3 SER A 98 9.510 -6.898 16.929 1.00 0.00 H new ATOM 0 HG SER A 98 8.023 -7.685 19.246 1.00 0.00 H new ATOM 1540 C ALA A 99 13.055 -8.890 14.780 1.00 0.00 C ATOM 1541 CA ALA A 99 11.775 -9.624 14.324 1.00 0.00 C ATOM 1542 CB ALA A 99 11.489 -9.355 12.835 1.00 0.00 C ATOM 1548 N ALA A 99 10.610 -9.237 15.150 1.00 0.00 N ATOM 1549 O ALA A 99 14.158 -9.451 14.704 1.00 0.00 O ATOM 0 H ALA A 99 9.861 -8.798 14.615 1.00 0.00 H new ATOM 0 HA ALA A 99 11.944 -10.693 14.457 1.00 0.00 H new ATOM 0 HB1 ALA A 99 12.355 -9.645 12.240 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.622 -9.936 12.520 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.287 -8.294 12.689 1.00 0.00 H new ATOM 1550 C LYS A 100 14.616 -7.558 17.054 1.00 0.00 C ATOM 1551 CA LYS A 100 13.970 -6.834 15.854 1.00 0.00 C ATOM 1552 CB LYS A 100 13.453 -5.425 16.282 1.00 0.00 C ATOM 1553 CD LYS A 100 11.948 -4.018 17.852 1.00 0.00 C ATOM 1554 CE LYS A 100 11.136 -3.282 16.772 1.00 0.00 C ATOM 1555 CG LYS A 100 12.399 -5.429 17.422 1.00 0.00 C ATOM 1569 N LYS A 100 12.876 -7.645 15.283 1.00 0.00 N ATOM 1570 NZ LYS A 100 10.757 -1.914 17.209 1.00 0.00 N ATOM 1571 O LYS A 100 15.840 -7.640 17.153 1.00 0.00 O ATOM 0 H LYS A 100 11.969 -7.178 15.303 1.00 0.00 H new ATOM 0 HA LYS A 100 14.728 -6.700 15.082 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.305 -4.823 16.598 1.00 0.00 H new ATOM 0 HB3 LYS A 100 13.021 -4.933 15.410 1.00 0.00 H new ATOM 0 HG2 LYS A 100 11.527 -5.997 17.097 1.00 0.00 H new ATOM 0 HG3 LYS A 100 12.813 -5.948 18.286 1.00 0.00 H new ATOM 0 HD2 LYS A 100 11.347 -4.097 18.758 1.00 0.00 H new ATOM 0 HD3 LYS A 100 12.827 -3.424 18.103 1.00 0.00 H new ATOM 0 HE2 LYS A 100 11.721 -3.222 15.854 1.00 0.00 H new ATOM 0 HE3 LYS A 100 10.237 -3.853 16.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 10.211 -1.448 16.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.178 -1.973 18.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.616 -1.362 17.406 1.00 0.00 H new ATOM 1572 C TRP A 101 15.044 -10.047 18.806 1.00 0.00 C ATOM 1573 CA TRP A 101 14.210 -8.810 19.156 1.00 0.00 C ATOM 1574 CB TRP A 101 13.008 -9.199 20.069 1.00 0.00 C ATOM 1575 CD1 TRP A 101 13.881 -9.475 22.491 1.00 0.00 C ATOM 1576 CD2 TRP A 101 13.421 -11.408 21.452 1.00 0.00 C ATOM 1577 CE2 TRP A 101 13.904 -11.694 22.735 1.00 0.00 C ATOM 1578 CE3 TRP A 101 13.074 -12.467 20.610 1.00 0.00 C ATOM 1579 CG TRP A 101 13.414 -9.978 21.307 1.00 0.00 C ATOM 1580 CH2 TRP A 101 13.690 -14.015 22.359 1.00 0.00 C ATOM 1581 CZ2 TRP A 101 14.032 -12.999 23.201 1.00 0.00 C ATOM 1582 CZ3 TRP A 101 13.203 -13.758 21.074 1.00 0.00 C ATOM 1593 N TRP A 101 13.761 -8.137 17.926 1.00 0.00 N ATOM 1594 NE1 TRP A 101 14.174 -10.501 23.354 1.00 0.00 N ATOM 1595 O TRP A 101 16.056 -10.296 19.431 1.00 0.00 O ATOM 0 H TRP A 101 12.750 -8.149 17.795 1.00 0.00 H new ATOM 0 HA TRP A 101 14.831 -8.110 19.714 1.00 0.00 H new ATOM 0 HB2 TRP A 101 12.486 -8.292 20.375 1.00 0.00 H new ATOM 0 HB3 TRP A 101 12.301 -9.794 19.491 1.00 0.00 H new ATOM 0 HD1 TRP A 101 14.001 -8.425 22.713 1.00 0.00 H new ATOM 0 HE1 TRP A 101 14.534 -10.393 24.302 1.00 0.00 H new ATOM 0 HE3 TRP A 101 12.710 -12.277 19.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 14.391 -13.201 24.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 12.924 -14.583 20.436 1.00 0.00 H new ATOM 0 HH2 TRP A 101 13.797 -15.037 22.691 1.00 0.00 H new ATOM 1596 C MET A 102 16.629 -11.699 16.639 1.00 0.00 C ATOM 1597 CA MET A 102 15.304 -12.035 17.358 1.00 0.00 C ATOM 1598 CB MET A 102 14.399 -12.900 16.438 1.00 0.00 C ATOM 1599 CE MET A 102 12.032 -13.562 14.501 1.00 0.00 C ATOM 1600 CG MET A 102 13.080 -13.367 17.078 1.00 0.00 C ATOM 1610 N MET A 102 14.601 -10.811 17.796 1.00 0.00 N ATOM 1611 O MET A 102 17.561 -12.513 16.640 1.00 0.00 O ATOM 1612 SD MET A 102 12.154 -14.506 16.022 1.00 0.00 S ATOM 0 H MET A 102 13.756 -10.605 17.263 1.00 0.00 H new ATOM 0 HA MET A 102 15.540 -12.610 18.253 1.00 0.00 H new ATOM 0 HB2 MET A 102 14.167 -12.328 15.540 1.00 0.00 H new ATOM 0 HB3 MET A 102 14.962 -13.778 16.120 1.00 0.00 H new ATOM 0 HG2 MET A 102 13.295 -13.854 18.029 1.00 0.00 H new ATOM 0 HG3 MET A 102 12.460 -12.498 17.298 1.00 0.00 H new ATOM 0 HE1 MET A 102 11.731 -14.221 13.687 1.00 0.00 H new ATOM 0 HE2 MET A 102 11.291 -12.772 14.622 1.00 0.00 H new ATOM 0 HE3 MET A 102 13.000 -13.119 14.269 1.00 0.00 H new