USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=16 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= -0.389 K(o=0.041,f=0.91) USER MOD Set 1.2: A 98 SER OG : rot 180:sc= 0.43 USER MOD Set 2.1: A 61 THR OG1 : rot -56:sc= -1.35 USER MOD Set 2.2: A 64 GLN : amide:sc= 0.127 K(o=-1.2,f=-4.8!) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -120:sc= -0.327 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.896 X(o=-0.9,f=-1.3) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.9 X(o=-0.9,f=-0.75) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 54:sc= -2.32 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 150:sc= 0.0276 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -100:sc= -0.161 USER MOD Single : A 87 SER OG : rot 180:sc= 0.118 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -175:sc= -0.978 (180deg=-1.08) USER MOD ----------------------------------------------------------------- ATOM 200 C MET A 15 -8.314 -9.677 13.433 1.00 0.00 C ATOM 201 CA MET A 15 -7.009 -8.901 13.157 1.00 0.00 C ATOM 202 CB MET A 15 -6.902 -7.639 14.084 1.00 0.00 C ATOM 203 CE MET A 15 -2.725 -7.406 14.594 1.00 0.00 C ATOM 204 CG MET A 15 -5.517 -7.446 14.725 1.00 0.00 C ATOM 214 N MET A 15 -6.884 -8.521 11.720 1.00 0.00 N ATOM 215 O MET A 15 -8.276 -10.754 14.043 1.00 0.00 O ATOM 216 SD MET A 15 -4.169 -7.418 13.522 1.00 0.00 S ATOM 0 HA MET A 15 -6.178 -9.567 13.389 1.00 0.00 H new ATOM 0 HB2 MET A 15 -7.147 -6.751 13.501 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.648 -7.718 14.874 1.00 0.00 H new ATOM 0 HG2 MET A 15 -5.512 -6.512 15.288 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.340 -8.250 15.440 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.821 -7.389 13.986 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.751 -6.521 15.230 1.00 0.00 H new ATOM 0 HE3 MET A 15 -2.727 -8.301 15.217 1.00 0.00 H new ATOM 217 C GLU A 16 -10.761 -11.173 12.401 1.00 0.00 C ATOM 218 CA GLU A 16 -10.777 -9.777 13.060 1.00 0.00 C ATOM 219 CB GLU A 16 -11.863 -8.904 12.373 1.00 0.00 C ATOM 220 CD GLU A 16 -14.332 -8.696 11.613 1.00 0.00 C ATOM 221 CG GLU A 16 -13.291 -9.513 12.398 1.00 0.00 C ATOM 228 N GLU A 16 -9.446 -9.127 12.947 1.00 0.00 N ATOM 229 O GLU A 16 -11.187 -12.180 12.999 1.00 0.00 O ATOM 230 OE1 GLU A 16 -14.647 -7.561 12.030 1.00 0.00 O ATOM 231 OE2 GLU A 16 -14.842 -9.184 10.580 1.00 0.00 O ATOM 0 H GLU A 16 -9.468 -8.227 12.468 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.009 -9.884 14.120 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.889 -7.929 12.860 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.572 -8.734 11.336 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.252 -10.522 11.988 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.619 -9.602 13.434 1.00 0.00 H new ATOM 232 C MET A 17 -9.240 -13.480 10.980 1.00 0.00 C ATOM 233 CA MET A 17 -10.150 -12.413 10.349 1.00 0.00 C ATOM 234 CB MET A 17 -9.717 -12.078 8.898 1.00 0.00 C ATOM 235 CE MET A 17 -13.418 -11.551 6.967 1.00 0.00 C ATOM 236 CG MET A 17 -10.832 -11.448 8.053 1.00 0.00 C ATOM 246 N MET A 17 -10.220 -11.204 11.170 1.00 0.00 N ATOM 247 O MET A 17 -9.572 -14.632 10.926 1.00 0.00 O ATOM 248 SD MET A 17 -12.272 -12.536 7.931 1.00 0.00 S ATOM 0 H MET A 17 -9.818 -10.382 10.719 1.00 0.00 H new ATOM 0 HA MET A 17 -11.153 -12.838 10.305 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.867 -11.396 8.930 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.375 -12.991 8.410 1.00 0.00 H new ATOM 0 HG2 MET A 17 -11.130 -10.497 8.494 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.454 -11.231 7.054 1.00 0.00 H new ATOM 0 HE1 MET A 17 -14.344 -12.108 6.822 1.00 0.00 H new ATOM 0 HE2 MET A 17 -13.633 -10.622 7.495 1.00 0.00 H new ATOM 0 HE3 MET A 17 -12.976 -11.323 5.997 1.00 0.00 H new ATOM 249 C LEU A 18 -7.819 -14.754 13.442 1.00 0.00 C ATOM 250 CA LEU A 18 -7.170 -13.985 12.276 1.00 0.00 C ATOM 251 CB LEU A 18 -5.948 -13.177 12.788 1.00 0.00 C ATOM 252 CD1 LEU A 18 -4.021 -11.553 12.272 1.00 0.00 C ATOM 253 CD2 LEU A 18 -4.257 -13.718 10.944 1.00 0.00 C ATOM 254 CG LEU A 18 -5.003 -12.593 11.690 1.00 0.00 C ATOM 266 N LEU A 18 -8.149 -13.068 11.636 1.00 0.00 N ATOM 267 O LEU A 18 -7.522 -15.935 13.668 1.00 0.00 O ATOM 0 H LEU A 18 -7.909 -12.082 11.744 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.838 -14.709 11.532 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.314 -12.353 13.400 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.359 -13.822 13.440 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.628 -12.071 10.966 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.382 -11.171 11.476 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.582 -10.729 12.713 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.405 -12.023 13.038 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.606 -13.282 10.186 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.657 -14.289 11.653 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.980 -14.379 10.466 1.00 0.00 H new ATOM 268 C GLN A 19 -10.422 -15.742 14.777 1.00 0.00 C ATOM 269 CA GLN A 19 -9.500 -14.611 15.283 1.00 0.00 C ATOM 270 CB GLN A 19 -10.360 -13.500 15.957 1.00 0.00 C ATOM 271 CD GLN A 19 -10.397 -11.241 17.211 1.00 0.00 C ATOM 272 CG GLN A 19 -9.547 -12.341 16.568 1.00 0.00 C ATOM 281 N GLN A 19 -8.703 -14.042 14.173 1.00 0.00 N ATOM 282 NE2 GLN A 19 -9.903 -10.009 17.165 1.00 0.00 N ATOM 283 O GLN A 19 -10.459 -16.838 15.347 1.00 0.00 O ATOM 284 OE1 GLN A 19 -11.492 -11.489 17.718 1.00 0.00 O ATOM 0 H GLN A 19 -8.885 -13.052 14.010 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.807 -15.025 16.015 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.049 -13.093 15.217 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.967 -13.954 16.741 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.869 -12.746 17.320 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.929 -11.896 15.788 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.992 -9.840 16.737 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.434 -9.232 17.557 1.00 0.00 H new ATOM 285 C ARG A 20 -11.609 -17.327 12.052 1.00 0.00 C ATOM 286 CA ARG A 20 -12.180 -16.348 13.116 1.00 0.00 C ATOM 287 CB ARG A 20 -13.350 -15.485 12.540 1.00 0.00 C ATOM 288 CD ARG A 20 -13.936 -13.368 11.182 1.00 0.00 C ATOM 289 CG ARG A 20 -12.954 -14.541 11.383 1.00 0.00 C ATOM 290 CZ ARG A 20 -16.436 -13.211 11.133 1.00 0.00 C ATOM 304 N ARG A 20 -11.145 -15.449 13.679 1.00 0.00 N ATOM 305 NE ARG A 20 -15.286 -13.808 10.781 1.00 0.00 N ATOM 306 NH1 ARG A 20 -16.453 -12.197 11.993 1.00 0.00 N ATOM 307 NH2 ARG A 20 -17.576 -13.656 10.642 1.00 0.00 N ATOM 308 O ARG A 20 -12.320 -18.234 11.615 1.00 0.00 O ATOM 0 H ARG A 20 -11.030 -14.582 13.154 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.559 -16.979 13.920 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.137 -16.153 12.191 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.774 -14.888 13.348 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.958 -14.142 11.575 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.894 -15.117 10.459 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.006 -12.797 12.108 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.539 -12.695 10.422 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.351 -14.635 10.187 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.581 -11.858 12.399 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.338 -11.758 12.246 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -17.580 -14.448 10.000 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.454 -13.208 10.905 1.00 0.00 H new ATOM 309 C GLU A 21 -8.884 -19.135 11.353 1.00 0.00 C ATOM 310 CA GLU A 21 -9.657 -18.017 10.643 1.00 0.00 C ATOM 311 CB GLU A 21 -8.700 -17.179 9.732 1.00 0.00 C ATOM 312 CD GLU A 21 -7.160 -17.051 7.677 1.00 0.00 C ATOM 313 CG GLU A 21 -7.912 -17.967 8.666 1.00 0.00 C ATOM 320 N GLU A 21 -10.334 -17.143 11.643 1.00 0.00 N ATOM 321 O GLU A 21 -9.188 -20.324 11.174 1.00 0.00 O ATOM 322 OE1 GLU A 21 -7.617 -16.893 6.523 1.00 0.00 O ATOM 323 OE2 GLU A 21 -6.132 -16.450 8.059 1.00 0.00 O ATOM 0 H GLU A 21 -9.742 -16.389 11.992 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.419 -18.469 10.008 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.290 -16.415 9.226 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.986 -16.659 10.371 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.197 -18.623 9.161 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.599 -18.606 8.111 1.00 0.00 H new ATOM 324 C TYR A 22 -7.681 -20.035 14.256 1.00 0.00 C ATOM 325 CA TYR A 22 -7.041 -19.698 12.902 1.00 0.00 C ATOM 326 CB TYR A 22 -5.610 -19.125 13.092 1.00 0.00 C ATOM 327 CD1 TYR A 22 -4.442 -17.515 11.490 1.00 0.00 C ATOM 328 CD2 TYR A 22 -4.728 -19.785 10.805 1.00 0.00 C ATOM 329 CE1 TYR A 22 -3.823 -17.232 10.286 1.00 0.00 C ATOM 330 CE2 TYR A 22 -4.110 -19.502 9.606 1.00 0.00 C ATOM 331 CG TYR A 22 -4.910 -18.800 11.776 1.00 0.00 C ATOM 332 CZ TYR A 22 -3.658 -18.229 9.353 1.00 0.00 C ATOM 342 N TYR A 22 -7.889 -18.744 12.171 1.00 0.00 N ATOM 343 O TYR A 22 -8.272 -21.112 14.421 1.00 0.00 O ATOM 344 OH TYR A 22 -3.055 -17.948 8.148 1.00 0.00 O ATOM 0 H TYR A 22 -7.653 -17.766 12.341 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.958 -20.615 12.319 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.666 -18.221 13.699 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.009 -19.845 13.647 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -4.566 -16.730 12.221 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.078 -20.789 10.996 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -3.471 -16.232 10.079 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.981 -20.279 8.867 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.016 -18.762 7.604 1.00 0.00 H new ATOM 345 C SER A 23 -7.784 -17.957 17.385 1.00 0.00 C ATOM 346 CA SER A 23 -8.039 -19.244 16.589 1.00 0.00 C ATOM 347 CB SER A 23 -7.286 -20.427 17.267 1.00 0.00 C ATOM 353 N SER A 23 -7.601 -19.070 15.197 1.00 0.00 N ATOM 354 O SER A 23 -7.034 -17.075 16.945 1.00 0.00 O ATOM 355 OG SER A 23 -5.876 -20.301 17.140 1.00 0.00 O ATOM 0 H SER A 23 -7.226 -18.141 15.005 1.00 0.00 H new ATOM 0 HA SER A 23 -9.106 -19.466 16.581 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.553 -20.469 18.323 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.608 -21.367 16.819 1.00 0.00 H new ATOM 0 HG SER A 23 -5.520 -21.077 16.659 1.00 0.00 H new ATOM 356 C THR A 24 -7.370 -17.728 20.727 1.00 0.00 C ATOM 357 CA THR A 24 -8.069 -16.931 19.612 1.00 0.00 C ATOM 358 CB THR A 24 -9.334 -16.205 20.178 1.00 0.00 C ATOM 359 CG2 THR A 24 -9.895 -15.178 19.184 1.00 0.00 C ATOM 367 N THR A 24 -8.434 -17.864 18.544 1.00 0.00 N ATOM 368 O THR A 24 -7.222 -18.952 20.622 1.00 0.00 O ATOM 369 OG1 THR A 24 -10.349 -17.169 20.507 1.00 0.00 O ATOM 0 H THR A 24 -9.242 -18.443 18.772 1.00 0.00 H new ATOM 0 HA THR A 24 -7.401 -16.166 19.217 1.00 0.00 H new ATOM 0 HB THR A 24 -9.031 -15.669 21.077 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.137 -16.706 20.862 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.773 -14.696 19.615 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.136 -14.425 18.971 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.176 -15.682 18.259 1.00 0.00 H new ATOM 370 C LEU A 25 -7.337 -17.706 24.090 1.00 0.00 C ATOM 371 CA LEU A 25 -6.314 -17.696 22.943 1.00 0.00 C ATOM 372 CB LEU A 25 -5.017 -16.939 23.336 1.00 0.00 C ATOM 373 CD1 LEU A 25 -3.631 -19.045 23.575 1.00 0.00 C ATOM 374 CD2 LEU A 25 -2.777 -16.854 24.546 1.00 0.00 C ATOM 375 CG LEU A 25 -4.023 -17.714 24.237 1.00 0.00 C ATOM 387 N LEU A 25 -6.915 -17.043 21.772 1.00 0.00 N ATOM 388 O LEU A 25 -7.893 -16.652 24.421 1.00 0.00 O ATOM 0 H LEU A 25 -6.949 -16.026 21.837 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.047 -18.728 22.717 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.498 -16.650 22.422 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.298 -16.019 23.848 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.513 -17.937 25.185 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.932 -19.580 24.219 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.523 -19.653 23.424 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.159 -18.848 22.612 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.093 -17.419 25.180 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.275 -16.592 23.614 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.082 -15.944 25.062 1.00 0.00 H new ATOM 389 C ARG A 26 -7.986 -18.943 27.130 1.00 0.00 C ATOM 390 CA ARG A 26 -8.635 -19.037 25.733 1.00 0.00 C ATOM 391 CB ARG A 26 -9.435 -20.371 25.602 1.00 0.00 C ATOM 392 CD ARG A 26 -9.493 -22.936 25.893 1.00 0.00 C ATOM 393 CG ARG A 26 -8.621 -21.668 25.827 1.00 0.00 C ATOM 394 CZ ARG A 26 -11.379 -23.748 27.321 1.00 0.00 C ATOM 408 N ARG A 26 -7.622 -18.898 24.663 1.00 0.00 N ATOM 409 NE ARG A 26 -10.351 -22.928 27.088 1.00 0.00 N ATOM 410 NH1 ARG A 26 -11.688 -24.726 26.478 1.00 0.00 N ATOM 411 NH2 ARG A 26 -12.091 -23.597 28.419 1.00 0.00 N ATOM 412 O ARG A 26 -8.543 -18.320 28.039 1.00 0.00 O ATOM 0 H ARG A 26 -7.167 -19.773 24.403 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.335 -18.210 25.617 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.257 -20.352 26.317 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.879 -20.411 24.607 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -7.896 -21.777 25.021 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.056 -21.577 26.754 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.112 -23.003 24.998 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.855 -23.820 25.906 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.142 -22.233 27.804 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.136 -24.863 25.632 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.478 -25.340 26.677 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.855 -22.859 29.082 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.878 -24.218 28.606 1.00 0.00 H new ATOM 413 C SER A 27 -4.614 -19.855 28.376 1.00 0.00 C ATOM 414 CA SER A 27 -6.128 -19.733 28.586 1.00 0.00 C ATOM 415 CB SER A 27 -6.661 -20.995 29.329 1.00 0.00 C ATOM 421 N SER A 27 -6.804 -19.576 27.286 1.00 0.00 N ATOM 422 O SER A 27 -4.159 -20.259 27.306 1.00 0.00 O ATOM 423 OG SER A 27 -8.071 -20.931 29.530 1.00 0.00 O ATOM 0 H SER A 27 -6.292 -19.993 26.509 1.00 0.00 H new ATOM 0 HA SER A 27 -6.338 -18.854 29.195 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.415 -21.887 28.753 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.160 -21.089 30.292 1.00 0.00 H new ATOM 0 HG SER A 27 -8.372 -21.738 29.997 1.00 0.00 H new ATOM 424 C VAL A 28 -1.981 -20.158 30.844 1.00 0.00 C ATOM 425 CA VAL A 28 -2.379 -19.635 29.453 1.00 0.00 C ATOM 426 CB VAL A 28 -1.604 -18.293 29.163 1.00 0.00 C ATOM 427 CG1 VAL A 28 -0.070 -18.516 29.092 1.00 0.00 C ATOM 428 CG2 VAL A 28 -2.111 -17.624 27.877 1.00 0.00 C ATOM 438 N VAL A 28 -3.844 -19.460 29.404 1.00 0.00 N ATOM 439 O VAL A 28 -2.557 -19.734 31.857 1.00 0.00 O ATOM 0 H VAL A 28 -4.224 -19.005 30.234 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.105 -20.348 28.675 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.804 -17.624 30.000 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.427 -17.567 28.891 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.284 -18.916 30.042 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.158 -19.222 28.293 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.557 -16.701 27.704 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.964 -18.299 27.034 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.172 -17.397 27.979 1.00 0.00 H new ATOM 440 C GLN A 29 1.052 -21.901 31.892 1.00 0.00 C ATOM 441 CA GLN A 29 -0.444 -21.627 32.109 1.00 0.00 C ATOM 442 CB GLN A 29 -1.212 -22.922 32.510 1.00 0.00 C ATOM 443 CD GLN A 29 -1.884 -25.363 31.923 1.00 0.00 C ATOM 444 CG GLN A 29 -1.080 -24.111 31.526 1.00 0.00 C ATOM 453 N GLN A 29 -1.002 -21.069 30.875 1.00 0.00 N ATOM 454 NE2 GLN A 29 -2.035 -25.608 33.221 1.00 0.00 N ATOM 455 O GLN A 29 1.441 -22.491 30.879 1.00 0.00 O ATOM 456 OE1 GLN A 29 -2.327 -26.127 31.063 1.00 0.00 O ATOM 0 H GLN A 29 -0.570 -21.444 30.031 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.557 -20.918 32.929 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.859 -23.244 33.490 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.269 -22.678 32.617 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.404 -23.785 30.538 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.028 -24.382 31.443 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.658 -24.958 33.910 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.528 -26.446 33.528 1.00 0.00 H new ATOM 457 C TYR A 30 3.549 -23.118 33.437 1.00 0.00 C ATOM 458 CA TYR A 30 3.330 -21.742 32.791 1.00 0.00 C ATOM 459 CB TYR A 30 4.156 -20.651 33.523 1.00 0.00 C ATOM 460 CD1 TYR A 30 6.291 -21.361 34.762 1.00 0.00 C ATOM 461 CD2 TYR A 30 6.444 -20.908 32.429 1.00 0.00 C ATOM 462 CE1 TYR A 30 7.640 -21.670 34.788 1.00 0.00 C ATOM 463 CE2 TYR A 30 7.788 -21.215 32.456 1.00 0.00 C ATOM 464 CG TYR A 30 5.664 -20.964 33.579 1.00 0.00 C ATOM 465 CZ TYR A 30 8.381 -21.598 33.632 1.00 0.00 C ATOM 475 N TYR A 30 1.896 -21.436 32.817 1.00 0.00 N ATOM 476 O TYR A 30 3.289 -23.287 34.630 1.00 0.00 O ATOM 477 OH TYR A 30 9.730 -21.896 33.659 1.00 0.00 O ATOM 0 H TYR A 30 1.610 -20.844 33.597 1.00 0.00 H new ATOM 0 HA TYR A 30 3.674 -21.760 31.757 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.009 -19.695 33.020 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.777 -20.539 34.539 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.713 -21.428 35.672 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.987 -20.618 31.494 1.00 0.00 H new ATOM 0 HE1 TYR A 30 8.109 -21.967 35.714 1.00 0.00 H new ATOM 0 HE2 TYR A 30 8.374 -21.154 31.551 1.00 0.00 H new ATOM 0 HH TYR A 30 10.105 -21.797 32.759 1.00 0.00 H new ATOM 478 C ARG A 31 5.861 -25.447 33.487 1.00 0.00 C ATOM 479 CA ARG A 31 4.366 -25.429 33.143 1.00 0.00 C ATOM 480 CB ARG A 31 4.002 -26.538 32.118 1.00 0.00 C ATOM 481 CD ARG A 31 2.116 -27.903 31.020 1.00 0.00 C ATOM 482 CG ARG A 31 2.486 -26.628 31.803 1.00 0.00 C ATOM 483 CZ ARG A 31 2.312 -30.381 31.308 1.00 0.00 C ATOM 497 N ARG A 31 3.999 -24.099 32.638 1.00 0.00 N ATOM 498 NE ARG A 31 2.395 -29.132 31.788 1.00 0.00 N ATOM 499 NH1 ARG A 31 1.993 -30.609 30.035 1.00 0.00 N ATOM 500 NH2 ARG A 31 2.545 -31.407 32.108 1.00 0.00 N ATOM 501 O ARG A 31 6.713 -25.579 32.600 1.00 0.00 O ATOM 0 H ARG A 31 4.118 -23.992 31.631 1.00 0.00 H new ATOM 0 HA ARG A 31 3.796 -25.638 34.049 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.546 -26.355 31.191 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.341 -27.500 32.502 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.923 -26.603 32.736 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.186 -25.753 31.227 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.058 -27.872 30.759 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.675 -27.927 30.084 1.00 0.00 H new ATOM 0 HE ARG A 31 2.674 -29.022 32.763 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.807 -29.826 29.408 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.935 -31.566 29.687 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.787 -31.247 33.086 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.483 -32.359 31.747 1.00 0.00 H new ATOM 502 C SER A 32 8.082 -26.780 35.242 1.00 0.00 C ATOM 503 CA SER A 32 7.519 -25.340 35.337 1.00 0.00 C ATOM 504 CB SER A 32 7.511 -24.847 36.808 1.00 0.00 C ATOM 510 N SER A 32 6.157 -25.263 34.784 1.00 0.00 N ATOM 511 O SER A 32 9.293 -26.983 35.336 1.00 0.00 O ATOM 512 OG SER A 32 8.825 -24.744 37.344 1.00 0.00 O ATOM 0 H SER A 32 5.448 -25.054 35.487 1.00 0.00 H new ATOM 0 HA SER A 32 8.172 -24.696 34.748 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.021 -23.875 36.862 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.924 -25.534 37.417 1.00 0.00 H new ATOM 0 HG SER A 32 8.776 -24.429 38.271 1.00 0.00 H new ATOM 513 C GLU A 33 8.429 -29.313 33.577 1.00 0.00 C ATOM 514 CA GLU A 33 7.522 -29.183 34.816 1.00 0.00 C ATOM 515 CB GLU A 33 6.223 -30.008 34.613 1.00 0.00 C ATOM 516 CD GLU A 33 3.959 -30.760 35.516 1.00 0.00 C ATOM 517 CG GLU A 33 5.259 -29.996 35.813 1.00 0.00 C ATOM 524 N GLU A 33 7.172 -27.767 35.073 1.00 0.00 N ATOM 525 O GLU A 33 9.422 -30.052 33.585 1.00 0.00 O ATOM 526 OE1 GLU A 33 3.137 -30.252 34.723 1.00 0.00 O ATOM 527 OE2 GLU A 33 3.750 -31.861 36.070 1.00 0.00 O ATOM 0 H GLU A 33 6.166 -27.601 35.112 1.00 0.00 H new ATOM 0 HA GLU A 33 8.070 -29.567 35.676 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.698 -29.624 33.739 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.495 -31.040 34.393 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.751 -30.441 36.678 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.021 -28.965 36.077 1.00 0.00 H new ATOM 528 C GLU A 34 9.698 -27.279 31.155 1.00 0.00 C ATOM 529 CA GLU A 34 8.818 -28.543 31.253 1.00 0.00 C ATOM 530 CB GLU A 34 7.817 -28.595 30.070 1.00 0.00 C ATOM 531 CD GLU A 34 7.537 -31.159 30.042 1.00 0.00 C ATOM 532 CG GLU A 34 6.836 -29.789 30.099 1.00 0.00 C ATOM 539 N GLU A 34 8.075 -28.564 32.523 1.00 0.00 N ATOM 540 O GLU A 34 10.627 -27.228 30.343 1.00 0.00 O ATOM 541 OE1 GLU A 34 7.894 -31.612 28.932 1.00 0.00 O ATOM 542 OE2 GLU A 34 7.738 -31.786 31.107 1.00 0.00 O ATOM 0 H GLU A 34 7.260 -27.951 32.527 1.00 0.00 H new ATOM 0 HA GLU A 34 9.473 -29.413 31.212 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.240 -27.670 30.060 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.381 -28.629 29.138 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.235 -29.734 31.007 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.149 -29.706 29.257 1.00 0.00 H new ATOM 543 C GLY A 35 9.615 -24.130 30.730 1.00 0.00 C ATOM 544 CA GLY A 35 10.074 -24.960 31.934 1.00 0.00 C ATOM 548 N GLY A 35 9.404 -26.267 31.999 1.00 0.00 N ATOM 549 O GLY A 35 10.385 -23.331 30.181 1.00 0.00 O ATOM 0 H GLY A 35 8.702 -26.336 32.736 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.875 -24.406 32.851 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.152 -25.109 31.880 1.00 0.00 H new ATOM 550 C VAL A 36 6.427 -23.015 29.496 1.00 0.00 C ATOM 551 CA VAL A 36 7.740 -23.720 29.120 1.00 0.00 C ATOM 552 CB VAL A 36 7.439 -24.788 27.993 1.00 0.00 C ATOM 553 CG1 VAL A 36 8.719 -25.571 27.595 1.00 0.00 C ATOM 554 CG2 VAL A 36 6.282 -25.747 28.415 1.00 0.00 C ATOM 564 N VAL A 36 8.347 -24.346 30.317 1.00 0.00 N ATOM 565 O VAL A 36 5.796 -23.345 30.511 1.00 0.00 O ATOM 0 H VAL A 36 7.707 -24.968 30.811 1.00 0.00 H new ATOM 0 HA VAL A 36 8.458 -22.996 28.735 1.00 0.00 H new ATOM 0 HB VAL A 36 7.105 -24.247 27.107 1.00 0.00 H new ATOM 0 HG11 VAL A 36 8.475 -26.296 26.819 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.469 -24.875 27.219 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.113 -26.092 28.468 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.099 -26.469 27.619 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.561 -26.275 29.327 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.376 -25.168 28.594 1.00 0.00 H new ATOM 566 C ILE A 37 3.769 -22.042 27.744 1.00 0.00 C ATOM 567 CA ILE A 37 4.718 -21.387 28.760 1.00 0.00 C ATOM 568 CB ILE A 37 4.811 -19.844 28.469 1.00 0.00 C ATOM 569 CD1 ILE A 37 6.300 -17.766 28.809 1.00 0.00 C ATOM 570 CG1 ILE A 37 6.059 -19.216 29.166 1.00 0.00 C ATOM 571 CG2 ILE A 37 3.508 -19.127 28.918 1.00 0.00 C ATOM 583 N ILE A 37 6.018 -22.058 28.657 1.00 0.00 N ATOM 584 O ILE A 37 4.088 -22.133 26.550 1.00 0.00 O ATOM 0 H ILE A 37 6.586 -21.724 27.879 1.00 0.00 H new ATOM 0 HA ILE A 37 4.352 -21.495 29.781 1.00 0.00 H new ATOM 0 HB ILE A 37 4.926 -19.707 27.394 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.938 -19.298 30.246 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.942 -19.797 28.899 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.589 -18.060 28.709 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.659 -19.540 28.373 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.360 -19.277 29.987 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.184 -17.404 29.334 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.454 -17.677 27.734 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.435 -17.171 29.102 1.00 0.00 H new ATOM 585 C VAL A 38 0.418 -22.278 27.176 1.00 0.00 C ATOM 586 CA VAL A 38 1.615 -23.213 27.434 1.00 0.00 C ATOM 587 CB VAL A 38 1.155 -24.542 28.139 1.00 0.00 C ATOM 588 CG1 VAL A 38 -0.090 -25.159 27.453 1.00 0.00 C ATOM 589 CG2 VAL A 38 2.332 -25.551 28.194 1.00 0.00 C ATOM 599 N VAL A 38 2.630 -22.526 28.238 1.00 0.00 N ATOM 600 O VAL A 38 -0.340 -21.935 28.088 1.00 0.00 O ATOM 0 H VAL A 38 2.381 -22.451 29.224 1.00 0.00 H new ATOM 0 HA VAL A 38 2.052 -23.481 26.472 1.00 0.00 H new ATOM 0 HB VAL A 38 0.859 -24.299 29.160 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.374 -26.075 27.971 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.916 -24.449 27.492 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.143 -25.388 26.413 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.003 -26.467 28.684 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.663 -25.780 27.181 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.158 -25.116 28.756 1.00 0.00 H new ATOM 601 C PHE A 39 -1.903 -21.917 24.858 1.00 0.00 C ATOM 602 CA PHE A 39 -0.791 -21.020 25.423 1.00 0.00 C ATOM 603 CB PHE A 39 -0.242 -20.063 24.331 1.00 0.00 C ATOM 604 CD1 PHE A 39 0.698 -17.969 25.395 1.00 0.00 C ATOM 605 CD2 PHE A 39 2.240 -19.639 24.645 1.00 0.00 C ATOM 606 CE1 PHE A 39 1.746 -17.187 25.821 1.00 0.00 C ATOM 607 CE2 PHE A 39 3.289 -18.855 25.071 1.00 0.00 C ATOM 608 CG PHE A 39 0.923 -19.205 24.798 1.00 0.00 C ATOM 609 CZ PHE A 39 3.040 -17.629 25.662 1.00 0.00 C ATOM 619 N PHE A 39 0.290 -21.865 25.918 1.00 0.00 N ATOM 620 O PHE A 39 -1.831 -22.364 23.705 1.00 0.00 O ATOM 0 H PHE A 39 0.959 -22.118 25.191 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.201 -20.416 26.232 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.075 -20.652 23.470 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.048 -19.412 23.993 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.315 -17.618 25.526 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.439 -20.598 24.189 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.554 -16.228 26.279 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.306 -19.197 24.944 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.863 -17.017 26.000 1.00 0.00 H new ATOM 621 C ILE A 40 -4.983 -22.257 24.369 1.00 0.00 C ATOM 622 CA ILE A 40 -4.050 -23.051 25.312 1.00 0.00 C ATOM 623 CB ILE A 40 -4.842 -23.538 26.582 1.00 0.00 C ATOM 624 CD1 ILE A 40 -4.504 -24.481 28.988 1.00 0.00 C ATOM 625 CG1 ILE A 40 -3.862 -24.148 27.647 1.00 0.00 C ATOM 626 CG2 ILE A 40 -5.959 -24.543 26.195 1.00 0.00 C ATOM 638 N ILE A 40 -2.909 -22.205 25.693 1.00 0.00 N ATOM 639 O ILE A 40 -5.610 -21.273 24.787 1.00 0.00 O ATOM 0 H ILE A 40 -2.956 -21.859 26.651 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.675 -23.934 24.795 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.327 -22.672 27.033 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.420 -25.056 27.236 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.047 -23.445 27.815 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.489 -24.862 27.093 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.659 -24.063 25.512 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.515 -25.411 25.708 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.752 -24.896 29.658 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.920 -23.574 29.427 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.300 -25.211 28.839 1.00 0.00 H new ATOM 640 C LEU A 41 -7.354 -22.205 22.308 1.00 0.00 C ATOM 641 CA LEU A 41 -5.851 -22.053 22.034 1.00 0.00 C ATOM 642 CB LEU A 41 -5.507 -22.681 20.645 1.00 0.00 C ATOM 643 CD1 LEU A 41 -3.889 -22.886 18.645 1.00 0.00 C ATOM 644 CD2 LEU A 41 -4.076 -20.720 19.933 1.00 0.00 C ATOM 645 CG LEU A 41 -4.146 -22.244 20.032 1.00 0.00 C ATOM 657 N LEU A 41 -5.018 -22.673 23.091 1.00 0.00 N ATOM 658 O LEU A 41 -7.758 -22.957 23.182 1.00 0.00 O ATOM 0 H LEU A 41 -4.463 -23.459 22.754 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.623 -20.987 22.031 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.509 -23.766 20.746 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.301 -22.425 19.943 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.362 -22.600 20.700 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.926 -22.549 18.261 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.881 -23.972 18.742 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.679 -22.590 17.955 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.118 -20.427 19.502 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.885 -20.359 19.298 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.174 -20.286 20.928 1.00 0.00 H new ATOM 659 C ALA A 42 -10.093 -23.038 21.146 1.00 0.00 C ATOM 660 CA ALA A 42 -9.636 -21.611 21.533 1.00 0.00 C ATOM 661 CB ALA A 42 -10.245 -20.554 20.601 1.00 0.00 C ATOM 667 N ALA A 42 -8.165 -21.505 21.505 1.00 0.00 N ATOM 668 O ALA A 42 -11.117 -23.526 21.623 1.00 0.00 O ATOM 0 H ALA A 42 -7.820 -20.843 20.811 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.989 -21.424 22.547 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.332 -20.633 20.622 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.947 -19.560 20.934 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.889 -20.717 19.584 1.00 0.00 H new ATOM 669 C ASN A 43 -8.736 -26.069 20.863 1.00 0.00 C ATOM 670 CA ASN A 43 -9.487 -25.117 19.892 1.00 0.00 C ATOM 671 CB ASN A 43 -9.023 -25.349 18.425 1.00 0.00 C ATOM 672 CG ASN A 43 -7.545 -25.036 18.188 1.00 0.00 C ATOM 679 N ASN A 43 -9.290 -23.700 20.288 1.00 0.00 N ATOM 680 ND2 ASN A 43 -7.250 -23.825 17.739 1.00 0.00 N ATOM 681 O ASN A 43 -8.635 -27.272 20.600 1.00 0.00 O ATOM 682 OD1 ASN A 43 -6.680 -25.883 18.385 1.00 0.00 O ATOM 0 H ASN A 43 -8.480 -23.267 19.845 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.552 -25.341 19.951 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.213 -26.388 18.154 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.627 -24.731 17.761 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.280 -23.575 17.547 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.993 -23.143 17.585 1.00 0.00 H new ATOM 683 C ASP A 44 -6.205 -26.819 22.794 1.00 0.00 C ATOM 684 CA ASP A 44 -7.580 -26.201 23.110 1.00 0.00 C ATOM 685 CB ASP A 44 -8.565 -27.244 23.725 1.00 0.00 C ATOM 686 CG ASP A 44 -9.710 -26.579 24.517 1.00 0.00 C ATOM 691 N ASP A 44 -8.199 -25.486 21.962 1.00 0.00 N ATOM 692 O ASP A 44 -5.721 -27.653 23.560 1.00 0.00 O ATOM 693 OD1 ASP A 44 -9.801 -26.795 25.744 1.00 0.00 O ATOM 694 OD2 ASP A 44 -10.518 -25.826 23.921 1.00 0.00 O ATOM 0 H ASP A 44 -8.183 -24.473 22.080 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.380 -25.440 23.864 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.987 -27.855 22.927 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.014 -27.915 24.384 1.00 0.00 H new ATOM 695 C ARG A 45 -3.157 -26.074 22.229 1.00 0.00 C ATOM 696 CA ARG A 45 -4.191 -26.792 21.335 1.00 0.00 C ATOM 697 CB ARG A 45 -3.915 -26.459 19.852 1.00 0.00 C ATOM 698 CD ARG A 45 -2.188 -26.137 17.990 1.00 0.00 C ATOM 699 CG ARG A 45 -2.474 -26.756 19.365 1.00 0.00 C ATOM 700 CZ ARG A 45 -0.333 -26.055 16.326 1.00 0.00 C ATOM 714 N ARG A 45 -5.567 -26.373 21.699 1.00 0.00 N ATOM 715 NE ARG A 45 -0.841 -26.456 17.496 1.00 0.00 N ATOM 716 NH1 ARG A 45 -1.038 -25.270 15.505 1.00 0.00 N ATOM 717 NH2 ARG A 45 0.891 -26.428 15.981 1.00 0.00 N ATOM 718 O ARG A 45 -3.209 -24.853 22.369 1.00 0.00 O ATOM 0 H ARG A 45 -5.983 -25.715 21.040 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.103 -27.868 21.487 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.614 -27.023 19.234 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.126 -25.402 19.688 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.760 -26.369 20.092 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.324 -27.834 19.314 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.928 -26.494 17.274 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.301 -25.055 18.052 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.246 -27.029 18.094 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.976 -24.969 15.768 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.637 -24.972 14.616 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.440 -27.018 16.607 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.284 -26.125 15.090 1.00 0.00 H new ATOM 719 C GLU A 46 0.010 -25.753 22.855 1.00 0.00 C ATOM 720 CA GLU A 46 -1.178 -26.283 23.688 1.00 0.00 C ATOM 721 CB GLU A 46 -0.680 -27.359 24.699 1.00 0.00 C ATOM 722 CD GLU A 46 -2.368 -29.314 24.873 1.00 0.00 C ATOM 723 CG GLU A 46 -1.788 -28.052 25.536 1.00 0.00 C ATOM 730 N GLU A 46 -2.219 -26.835 22.808 1.00 0.00 N ATOM 731 O GLU A 46 0.836 -26.541 22.375 1.00 0.00 O ATOM 732 OE1 GLU A 46 -1.802 -30.407 25.074 1.00 0.00 O ATOM 733 OE2 GLU A 46 -3.366 -29.222 24.132 1.00 0.00 O ATOM 0 H GLU A 46 -2.159 -27.845 22.681 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.614 -25.455 24.248 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.133 -28.124 24.148 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.028 -26.890 25.383 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.380 -28.319 26.511 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.596 -27.341 25.712 1.00 0.00 H new ATOM 734 C LEU A 47 2.357 -23.611 23.066 1.00 0.00 C ATOM 735 CA LEU A 47 1.242 -23.773 22.029 1.00 0.00 C ATOM 736 CB LEU A 47 0.864 -22.412 21.383 1.00 0.00 C ATOM 737 CD1 LEU A 47 -0.217 -21.119 19.460 1.00 0.00 C ATOM 738 CD2 LEU A 47 1.066 -23.274 18.988 1.00 0.00 C ATOM 739 CG LEU A 47 0.163 -22.514 19.994 1.00 0.00 C ATOM 751 N LEU A 47 0.081 -24.420 22.662 1.00 0.00 N ATOM 752 O LEU A 47 2.258 -22.821 23.995 1.00 0.00 O ATOM 0 H LEU A 47 -0.656 -23.771 22.938 1.00 0.00 H new ATOM 0 HA LEU A 47 1.598 -24.409 21.219 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.207 -21.873 22.066 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.769 -21.815 21.273 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.761 -23.079 20.117 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.704 -21.221 18.490 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.899 -20.635 20.159 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.683 -20.513 19.352 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.563 -23.337 18.023 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.009 -22.741 18.871 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.261 -24.279 19.362 1.00 0.00 H new ATOM 753 C LYS A 48 5.730 -23.761 23.390 1.00 0.00 C ATOM 754 CA LYS A 48 4.500 -24.560 23.834 1.00 0.00 C ATOM 755 CB LYS A 48 4.815 -26.074 23.939 1.00 0.00 C ATOM 756 CD LYS A 48 6.191 -27.948 25.055 1.00 0.00 C ATOM 757 CE LYS A 48 6.428 -28.716 23.747 1.00 0.00 C ATOM 758 CG LYS A 48 6.024 -26.428 24.834 1.00 0.00 C ATOM 772 N LYS A 48 3.410 -24.383 22.872 1.00 0.00 N ATOM 773 NZ LYS A 48 6.397 -30.179 23.962 1.00 0.00 N ATOM 774 O LYS A 48 6.377 -24.106 22.395 1.00 0.00 O ATOM 0 H LYS A 48 3.541 -24.924 22.017 1.00 0.00 H new ATOM 0 HA LYS A 48 4.208 -24.186 24.815 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.934 -26.587 24.324 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.998 -26.462 22.937 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.932 -26.031 24.381 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.909 -25.937 25.800 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.028 -28.123 25.731 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.299 -28.340 25.545 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.666 -28.438 23.018 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.392 -28.430 23.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.561 -30.666 23.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.140 -30.446 24.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.468 -30.455 24.341 1.00 0.00 H new ATOM 775 C PHE A 49 7.722 -21.335 25.255 1.00 0.00 C ATOM 776 CA PHE A 49 7.174 -21.791 23.882 1.00 0.00 C ATOM 777 CB PHE A 49 6.803 -20.562 23.004 1.00 0.00 C ATOM 778 CD1 PHE A 49 7.658 -20.723 20.607 1.00 0.00 C ATOM 779 CD2 PHE A 49 5.363 -21.253 20.997 1.00 0.00 C ATOM 780 CE1 PHE A 49 7.497 -20.965 19.257 1.00 0.00 C ATOM 781 CE2 PHE A 49 5.195 -21.500 19.642 1.00 0.00 C ATOM 782 CG PHE A 49 6.602 -20.857 21.507 1.00 0.00 C ATOM 783 CZ PHE A 49 6.266 -21.356 18.771 1.00 0.00 C ATOM 793 N PHE A 49 5.999 -22.655 24.101 1.00 0.00 N ATOM 794 O PHE A 49 6.951 -20.948 26.129 1.00 0.00 O ATOM 0 H PHE A 49 5.397 -22.329 24.857 1.00 0.00 H new ATOM 0 HA PHE A 49 7.942 -22.354 23.351 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.887 -20.120 23.396 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.588 -19.813 23.107 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.628 -20.422 20.975 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.524 -21.369 21.667 1.00 0.00 H new ATOM 0 HE1 PHE A 49 8.333 -20.849 18.583 1.00 0.00 H new ATOM 0 HE2 PHE A 49 4.230 -21.805 19.265 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.136 -21.549 17.716 1.00 0.00 H new ATOM 795 C ARG A 50 9.708 -19.555 27.034 1.00 0.00 C ATOM 796 CA ARG A 50 9.745 -21.074 26.696 1.00 0.00 C ATOM 797 CB ARG A 50 11.223 -21.557 26.613 1.00 0.00 C ATOM 798 CD ARG A 50 12.885 -23.469 26.339 1.00 0.00 C ATOM 799 CG ARG A 50 11.404 -23.082 26.452 1.00 0.00 C ATOM 800 CZ ARG A 50 14.266 -25.518 26.054 1.00 0.00 C ATOM 814 N ARG A 50 9.055 -21.383 25.417 1.00 0.00 N ATOM 815 NE ARG A 50 13.083 -24.924 26.262 1.00 0.00 N ATOM 816 NH1 ARG A 50 15.364 -24.797 25.864 1.00 0.00 N ATOM 817 NH2 ARG A 50 14.340 -26.836 26.050 1.00 0.00 N ATOM 818 O ARG A 50 9.421 -18.730 26.156 1.00 0.00 O ATOM 0 H ARG A 50 9.694 -21.638 24.664 1.00 0.00 H new ATOM 0 HA ARG A 50 9.218 -21.598 27.493 1.00 0.00 H new ATOM 0 HB2 ARG A 50 11.706 -21.058 25.772 1.00 0.00 H new ATOM 0 HB3 ARG A 50 11.745 -21.238 27.515 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.958 -23.593 27.305 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.871 -23.420 25.563 1.00 0.00 H new ATOM 0 HD2 ARG A 50 13.313 -23.000 25.453 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.426 -23.077 27.200 1.00 0.00 H new ATOM 0 HE ARG A 50 12.264 -25.522 26.375 1.00 0.00 H new ATOM 0 HH11 ARG A 50 15.313 -23.778 25.875 1.00 0.00 H new ATOM 0 HH12 ARG A 50 16.258 -25.262 25.707 1.00 0.00 H new ATOM 0 HH21 ARG A 50 13.501 -27.394 26.204 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.237 -27.296 25.892 1.00 0.00 H new ATOM 819 C PRO A 51 11.484 -17.209 27.907 1.00 0.00 C ATOM 820 CA PRO A 51 10.276 -17.760 28.696 1.00 0.00 C ATOM 821 CB PRO A 51 10.580 -17.824 30.222 1.00 0.00 C ATOM 822 CD PRO A 51 9.988 -20.046 29.527 1.00 0.00 C ATOM 823 CG PRO A 51 9.911 -19.076 30.684 1.00 0.00 C ATOM 831 N PRO A 51 9.985 -19.166 28.328 1.00 0.00 N ATOM 832 O PRO A 51 11.405 -16.166 27.253 1.00 0.00 O ATOM 0 HA PRO A 51 9.449 -17.090 28.462 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.653 -17.854 30.412 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.188 -16.950 30.742 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.408 -19.481 31.565 1.00 0.00 H new ATOM 0 HG3 PRO A 51 8.875 -18.884 30.963 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.891 -20.655 29.574 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.141 -20.732 29.522 1.00 0.00 H new ATOM 833 C ASP A 52 13.761 -17.693 25.740 1.00 0.00 C ATOM 834 CA ASP A 52 13.859 -17.695 27.286 1.00 0.00 C ATOM 835 CB ASP A 52 14.906 -18.751 27.741 1.00 0.00 C ATOM 836 CG ASP A 52 14.888 -18.990 29.261 1.00 0.00 C ATOM 841 N ASP A 52 12.561 -18.007 27.917 1.00 0.00 N ATOM 842 O ASP A 52 14.722 -17.357 25.045 1.00 0.00 O ATOM 843 OD1 ASP A 52 15.622 -18.297 30.001 1.00 0.00 O ATOM 844 OD2 ASP A 52 14.117 -19.869 29.726 1.00 0.00 O ATOM 0 H ASP A 52 12.557 -18.917 28.378 1.00 0.00 H new ATOM 0 HA ASP A 52 14.161 -16.696 27.599 1.00 0.00 H new ATOM 0 HB2 ASP A 52 14.713 -19.693 27.227 1.00 0.00 H new ATOM 0 HB3 ASP A 52 15.901 -18.422 27.441 1.00 0.00 H new ATOM 845 C ASP A 53 11.608 -16.818 23.400 1.00 0.00 C ATOM 846 CA ASP A 53 12.277 -18.148 23.812 1.00 0.00 C ATOM 847 CB ASP A 53 11.342 -19.368 23.568 1.00 0.00 C ATOM 848 CG ASP A 53 10.888 -19.558 22.116 1.00 0.00 C ATOM 853 N ASP A 53 12.601 -18.121 25.237 1.00 0.00 N ATOM 854 O ASP A 53 11.965 -16.223 22.388 1.00 0.00 O ATOM 855 OD1 ASP A 53 11.455 -20.414 21.397 1.00 0.00 O ATOM 856 OD2 ASP A 53 9.943 -18.875 21.693 1.00 0.00 O ATOM 0 H ASP A 53 11.843 -18.467 25.826 1.00 0.00 H new ATOM 0 HA ASP A 53 13.175 -18.254 23.203 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.857 -20.272 23.893 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.459 -19.261 24.198 1.00 0.00 H new ATOM 857 C LEU A 54 10.235 -13.870 24.342 1.00 0.00 C ATOM 858 CA LEU A 54 9.731 -15.240 23.870 1.00 0.00 C ATOM 859 CB LEU A 54 8.345 -15.527 24.479 1.00 0.00 C ATOM 860 CD1 LEU A 54 6.390 -17.138 24.790 1.00 0.00 C ATOM 861 CD2 LEU A 54 7.428 -16.835 22.478 1.00 0.00 C ATOM 862 CG LEU A 54 7.682 -16.854 24.005 1.00 0.00 C ATOM 874 N LEU A 54 10.652 -16.348 24.228 1.00 0.00 N ATOM 875 O LEU A 54 10.935 -13.761 25.350 1.00 0.00 O ATOM 0 H LEU A 54 10.494 -16.723 25.163 1.00 0.00 H new ATOM 0 HA LEU A 54 9.674 -15.194 22.782 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.440 -15.553 25.565 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.679 -14.699 24.237 1.00 0.00 H new ATOM 0 HG LEU A 54 8.376 -17.669 24.211 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.948 -18.070 24.438 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.621 -17.224 25.852 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.684 -16.322 24.637 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.964 -17.774 22.175 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.765 -16.006 22.230 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.375 -16.712 21.953 1.00 0.00 H new ATOM 876 C GLN A 55 9.485 -10.883 25.135 1.00 0.00 C ATOM 877 CA GLN A 55 10.192 -11.413 23.878 1.00 0.00 C ATOM 878 CB GLN A 55 9.861 -10.526 22.650 1.00 0.00 C ATOM 879 CD GLN A 55 9.780 -8.180 21.614 1.00 0.00 C ATOM 880 CG GLN A 55 10.188 -9.026 22.823 1.00 0.00 C ATOM 889 N GLN A 55 9.828 -12.818 23.597 1.00 0.00 N ATOM 890 NE2 GLN A 55 10.684 -8.016 20.665 1.00 0.00 N ATOM 891 O GLN A 55 10.069 -10.090 25.890 1.00 0.00 O ATOM 892 OE1 GLN A 55 8.660 -7.681 21.536 1.00 0.00 O ATOM 0 H GLN A 55 9.232 -12.923 22.776 1.00 0.00 H new ATOM 0 HA GLN A 55 11.264 -11.374 24.069 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.410 -10.905 21.788 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.800 -10.628 22.422 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.680 -8.649 23.711 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.258 -8.911 22.995 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.605 -8.443 20.759 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.461 -7.462 19.838 1.00 0.00 H new ATOM 893 C ALA A 56 8.173 -11.340 27.831 1.00 0.00 C ATOM 894 CA ALA A 56 7.443 -10.954 26.543 1.00 0.00 C ATOM 895 CB ALA A 56 6.043 -11.611 26.539 1.00 0.00 C ATOM 901 N ALA A 56 8.234 -11.340 25.355 1.00 0.00 N ATOM 902 O ALA A 56 8.165 -10.596 28.809 1.00 0.00 O ATOM 0 H ALA A 56 7.749 -11.978 24.724 1.00 0.00 H new ATOM 0 HA ALA A 56 7.320 -9.872 26.502 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.494 -11.302 27.428 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.497 -11.299 25.649 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.150 -12.696 26.537 1.00 0.00 H new ATOM 903 C THR A 57 10.754 -13.614 28.954 1.00 0.00 C ATOM 904 CA THR A 57 9.269 -13.253 28.951 1.00 0.00 C ATOM 905 CB THR A 57 8.436 -14.563 28.986 1.00 0.00 C ATOM 906 CG2 THR A 57 6.974 -14.292 29.267 1.00 0.00 C ATOM 914 N THR A 57 8.860 -12.489 27.774 1.00 0.00 N ATOM 915 O THR A 57 11.141 -14.545 29.665 1.00 0.00 O ATOM 916 OG1 THR A 57 8.535 -15.239 27.720 1.00 0.00 O ATOM 0 H THR A 57 9.149 -12.916 26.894 1.00 0.00 H new ATOM 0 HA THR A 57 9.095 -12.628 29.827 1.00 0.00 H new ATOM 0 HB THR A 57 8.840 -15.181 29.788 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.479 -15.366 27.490 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.426 -15.234 29.283 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.875 -13.798 30.233 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.567 -13.649 28.487 1.00 0.00 H new ATOM 917 C TYR A 58 13.760 -13.153 29.345 1.00 0.00 C ATOM 918 CA TYR A 58 13.002 -13.266 28.004 1.00 0.00 C ATOM 919 CB TYR A 58 13.657 -12.396 26.908 1.00 0.00 C ATOM 920 CD1 TYR A 58 15.127 -14.220 25.880 1.00 0.00 C ATOM 921 CD2 TYR A 58 16.177 -12.150 26.456 1.00 0.00 C ATOM 922 CE1 TYR A 58 16.332 -14.703 25.408 1.00 0.00 C ATOM 923 CE2 TYR A 58 17.383 -12.639 25.989 1.00 0.00 C ATOM 924 CG TYR A 58 15.018 -12.929 26.416 1.00 0.00 C ATOM 925 CZ TYR A 58 17.454 -13.910 25.466 1.00 0.00 C ATOM 935 N TYR A 58 11.583 -12.898 28.181 1.00 0.00 N ATOM 936 O TYR A 58 14.127 -12.055 29.777 1.00 0.00 O ATOM 937 OH TYR A 58 18.659 -14.386 24.986 1.00 0.00 O ATOM 0 H TYR A 58 11.300 -12.063 27.668 1.00 0.00 H new ATOM 0 HA TYR A 58 13.056 -14.304 27.677 1.00 0.00 H new ATOM 0 HB2 TYR A 58 12.977 -12.326 26.059 1.00 0.00 H new ATOM 0 HB3 TYR A 58 13.792 -11.385 27.293 1.00 0.00 H new ATOM 0 HD1 TYR A 58 14.251 -14.850 25.835 1.00 0.00 H new ATOM 0 HD2 TYR A 58 16.130 -11.149 26.859 1.00 0.00 H new ATOM 0 HE1 TYR A 58 16.393 -15.699 24.995 1.00 0.00 H new ATOM 0 HE2 TYR A 58 18.269 -12.024 26.035 1.00 0.00 H new ATOM 0 HH TYR A 58 19.350 -13.701 25.101 1.00 0.00 H new ATOM 938 C GLY A 59 13.592 -13.882 32.456 1.00 0.00 C ATOM 939 CA GLY A 59 14.509 -14.402 31.344 1.00 0.00 C ATOM 943 N GLY A 59 13.915 -14.316 30.013 1.00 0.00 N ATOM 944 O GLY A 59 14.068 -13.293 33.426 1.00 0.00 O ATOM 0 H GLY A 59 13.628 -15.218 29.634 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.767 -15.440 31.552 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.439 -13.834 31.356 1.00 0.00 H new ATOM 945 C ALA A 60 11.035 -14.884 34.299 1.00 0.00 C ATOM 946 CA ALA A 60 11.257 -13.719 33.320 1.00 0.00 C ATOM 947 CB ALA A 60 9.932 -13.319 32.647 1.00 0.00 C ATOM 953 N ALA A 60 12.268 -14.093 32.306 1.00 0.00 N ATOM 954 O ALA A 60 11.157 -16.055 33.915 1.00 0.00 O ATOM 0 H ALA A 60 11.867 -14.529 31.476 1.00 0.00 H new ATOM 0 HA ALA A 60 11.627 -12.858 33.877 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.203 -13.048 33.411 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.101 -12.467 31.988 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.552 -14.158 32.064 1.00 0.00 H new ATOM 955 C THR A 61 9.113 -16.176 36.573 1.00 0.00 C ATOM 956 CA THR A 61 10.526 -15.533 36.631 1.00 0.00 C ATOM 957 CB THR A 61 10.773 -14.856 38.027 1.00 0.00 C ATOM 958 CG2 THR A 61 12.233 -14.405 38.202 1.00 0.00 C ATOM 966 N THR A 61 10.692 -14.551 35.553 1.00 0.00 N ATOM 967 O THR A 61 8.159 -15.522 36.126 1.00 0.00 O ATOM 968 OG1 THR A 61 9.923 -13.722 38.177 1.00 0.00 O ATOM 0 H THR A 61 10.522 -13.589 35.847 1.00 0.00 H new ATOM 0 HA THR A 61 11.263 -16.324 36.496 1.00 0.00 H new ATOM 0 HB THR A 61 10.551 -15.604 38.788 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.070 -13.102 37.432 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.356 -13.943 39.181 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.893 -15.269 38.123 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.486 -13.683 37.426 1.00 0.00 H new ATOM 969 C PRO A 62 6.509 -17.518 37.712 1.00 0.00 C ATOM 970 CA PRO A 62 7.674 -18.227 36.978 1.00 0.00 C ATOM 971 CB PRO A 62 8.023 -19.585 37.666 1.00 0.00 C ATOM 972 CD PRO A 62 10.056 -18.337 37.567 1.00 0.00 C ATOM 973 CG PRO A 62 9.305 -19.336 38.400 1.00 0.00 C ATOM 981 N PRO A 62 8.969 -17.476 37.017 1.00 0.00 N ATOM 982 O PRO A 62 5.339 -17.692 37.346 1.00 0.00 O ATOM 0 HA PRO A 62 7.309 -18.325 35.956 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.232 -19.895 38.349 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.139 -20.381 36.930 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.115 -18.949 39.401 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.876 -20.257 38.517 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.763 -17.762 38.165 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.628 -18.820 36.775 1.00 0.00 H new ATOM 983 C GLU A 63 5.143 -14.887 38.707 1.00 0.00 C ATOM 984 CA GLU A 63 5.881 -15.957 39.550 1.00 0.00 C ATOM 985 CB GLU A 63 6.613 -15.305 40.754 1.00 0.00 C ATOM 986 CD GLU A 63 8.444 -13.671 41.556 1.00 0.00 C ATOM 987 CG GLU A 63 7.653 -14.235 40.364 1.00 0.00 C ATOM 994 N GLU A 63 6.855 -16.714 38.735 1.00 0.00 N ATOM 995 O GLU A 63 3.975 -14.580 38.958 1.00 0.00 O ATOM 996 OE1 GLU A 63 9.639 -13.994 41.704 1.00 0.00 O ATOM 997 OE2 GLU A 63 7.856 -12.925 42.365 1.00 0.00 O ATOM 0 H GLU A 63 7.823 -16.569 39.022 1.00 0.00 H new ATOM 0 HA GLU A 63 5.125 -16.649 39.920 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.872 -14.851 41.412 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.111 -16.087 41.327 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.352 -14.666 39.648 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.144 -13.415 39.858 1.00 0.00 H new ATOM 998 C GLN A 64 4.403 -13.949 35.702 1.00 0.00 C ATOM 999 CA GLN A 64 5.301 -13.313 36.783 1.00 0.00 C ATOM 1000 CB GLN A 64 6.468 -12.545 36.123 1.00 0.00 C ATOM 1001 CD GLN A 64 8.601 -11.167 36.464 1.00 0.00 C ATOM 1002 CG GLN A 64 7.479 -11.973 37.122 1.00 0.00 C ATOM 1011 N GLN A 64 5.843 -14.347 37.691 1.00 0.00 N ATOM 1012 NE2 GLN A 64 8.419 -9.858 36.360 1.00 0.00 N ATOM 1013 O GLN A 64 3.523 -13.293 35.133 1.00 0.00 O ATOM 1014 OE1 GLN A 64 9.627 -11.713 36.057 1.00 0.00 O ATOM 0 H GLN A 64 6.803 -14.615 37.475 1.00 0.00 H new ATOM 0 HA GLN A 64 4.692 -12.620 37.363 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.988 -13.214 35.437 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.061 -11.729 35.525 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.954 -11.335 37.833 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.917 -12.792 37.692 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.558 -9.434 36.706 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.139 -9.275 35.934 1.00 0.00 H new ATOM 1015 C LEU A 65 2.787 -16.838 35.058 1.00 0.00 C ATOM 1016 CA LEU A 65 3.955 -16.055 34.426 1.00 0.00 C ATOM 1017 CB LEU A 65 5.000 -17.006 33.782 1.00 0.00 C ATOM 1018 CD1 LEU A 65 7.304 -17.317 32.684 1.00 0.00 C ATOM 1019 CD2 LEU A 65 6.078 -15.084 32.481 1.00 0.00 C ATOM 1020 CG LEU A 65 6.342 -16.325 33.362 1.00 0.00 C ATOM 1032 N LEU A 65 4.636 -15.250 35.464 1.00 0.00 N ATOM 1033 O LEU A 65 2.334 -17.854 34.527 1.00 0.00 O ATOM 0 H LEU A 65 5.318 -15.788 35.998 1.00 0.00 H new ATOM 0 HA LEU A 65 3.537 -15.413 33.650 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.222 -17.808 34.486 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.554 -17.469 32.902 1.00 0.00 H new ATOM 0 HG LEU A 65 6.838 -15.986 34.271 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.224 -16.801 32.409 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.536 -18.128 33.374 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.835 -17.725 31.789 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.028 -14.627 32.202 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.541 -15.384 31.581 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.479 -14.363 33.038 1.00 0.00 H new ATOM 1034 C ARG A 66 0.050 -15.597 36.482 1.00 0.00 C ATOM 1035 CA ARG A 66 1.050 -16.715 36.825 1.00 0.00 C ATOM 1036 CB ARG A 66 1.175 -16.817 38.365 1.00 0.00 C ATOM 1037 CD ARG A 66 2.390 -17.731 40.403 1.00 0.00 C ATOM 1038 CG ARG A 66 2.288 -17.754 38.869 1.00 0.00 C ATOM 1039 CZ ARG A 66 2.426 -15.919 42.135 1.00 0.00 C ATOM 1053 N ARG A 66 2.348 -16.361 36.233 1.00 0.00 N ATOM 1054 NE ARG A 66 2.670 -16.370 40.905 1.00 0.00 N ATOM 1055 NH1 ARG A 66 1.861 -16.691 43.058 1.00 0.00 N ATOM 1056 NH2 ARG A 66 2.761 -14.679 42.441 1.00 0.00 N ATOM 1057 O ARG A 66 -1.113 -15.843 36.134 1.00 0.00 O ATOM 0 H ARG A 66 2.890 -15.712 36.804 1.00 0.00 H new ATOM 0 HA ARG A 66 0.716 -17.675 36.432 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.352 -15.819 38.767 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.222 -17.159 38.770 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.090 -18.771 38.531 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.242 -17.454 38.435 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.459 -18.096 40.836 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.179 -18.409 40.727 1.00 0.00 H new ATOM 0 HE ARG A 66 3.090 -15.713 40.248 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.604 -17.652 42.832 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.684 -16.323 43.993 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.200 -14.082 41.740 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.581 -14.319 43.378 1.00 0.00 H new ATOM 1058 C GLU A 67 -0.314 -12.739 34.978 1.00 0.00 C ATOM 1059 CA GLU A 67 -0.207 -13.124 36.458 1.00 0.00 C ATOM 1060 CB GLU A 67 0.482 -12.019 37.297 1.00 0.00 C ATOM 1061 CD GLU A 67 1.493 -11.329 39.556 1.00 0.00 C ATOM 1062 CG GLU A 67 0.702 -12.394 38.778 1.00 0.00 C ATOM 1069 N GLU A 67 0.565 -14.357 36.589 1.00 0.00 N ATOM 1070 O GLU A 67 0.503 -11.981 34.428 1.00 0.00 O ATOM 1071 OE1 GLU A 67 2.741 -11.360 39.528 1.00 0.00 O ATOM 1072 OE2 GLU A 67 0.874 -10.439 40.180 1.00 0.00 O ATOM 0 H GLU A 67 1.554 -14.190 36.773 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.221 -13.259 36.833 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.446 -11.784 36.846 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.121 -11.113 37.249 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.266 -12.542 39.257 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.233 -13.344 38.832 1.00 0.00 H new ATOM 1073 C ILE A 68 -2.963 -12.970 32.530 1.00 0.00 C ATOM 1074 CA ILE A 68 -1.496 -13.330 32.886 1.00 0.00 C ATOM 1075 CB ILE A 68 -1.119 -14.760 32.323 1.00 0.00 C ATOM 1076 CD1 ILE A 68 0.802 -16.509 32.160 1.00 0.00 C ATOM 1077 CG1 ILE A 68 0.409 -15.091 32.523 1.00 0.00 C ATOM 1078 CG2 ILE A 68 -1.485 -14.900 30.838 1.00 0.00 C ATOM 1090 N ILE A 68 -1.318 -13.338 34.337 1.00 0.00 N ATOM 1091 O ILE A 68 -3.894 -13.337 33.254 1.00 0.00 O ATOM 0 H ILE A 68 -2.049 -13.855 34.826 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.847 -12.579 32.434 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.705 -15.476 32.899 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.999 -14.400 31.921 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.673 -14.911 33.565 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.211 -15.895 30.488 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.558 -14.754 30.712 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.946 -14.150 30.258 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.870 -16.645 32.329 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.244 -17.211 32.779 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.575 -16.692 31.110 1.00 0.00 H new ATOM 1092 C GLU A 69 -4.343 -12.089 29.282 1.00 0.00 C ATOM 1093 CA GLU A 69 -4.449 -11.929 30.812 1.00 0.00 C ATOM 1094 CB GLU A 69 -4.864 -10.478 31.195 1.00 0.00 C ATOM 1095 CD GLU A 69 -6.600 -8.583 31.035 1.00 0.00 C ATOM 1096 CG GLU A 69 -6.175 -9.985 30.560 1.00 0.00 C ATOM 1103 N GLU A 69 -3.136 -12.249 31.407 1.00 0.00 N ATOM 1104 O GLU A 69 -3.264 -11.920 28.744 1.00 0.00 O ATOM 1105 OE1 GLU A 69 -5.938 -7.589 30.660 1.00 0.00 O ATOM 1106 OE2 GLU A 69 -7.611 -8.469 31.762 1.00 0.00 O ATOM 0 H GLU A 69 -2.354 -11.865 30.877 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.214 -12.606 31.192 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.959 -10.418 32.279 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.061 -9.799 30.907 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.062 -9.974 29.476 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.970 -10.694 30.790 1.00 0.00 H new ATOM 1107 C ILE A 70 -5.283 -11.097 26.493 1.00 0.00 C ATOM 1108 CA ILE A 70 -5.472 -12.516 27.101 1.00 0.00 C ATOM 1109 CB ILE A 70 -6.810 -13.193 26.585 1.00 0.00 C ATOM 1110 CD1 ILE A 70 -5.838 -15.577 26.990 1.00 0.00 C ATOM 1111 CG1 ILE A 70 -6.987 -14.611 27.229 1.00 0.00 C ATOM 1112 CG2 ILE A 70 -6.888 -13.274 25.030 1.00 0.00 C ATOM 1124 N ILE A 70 -5.454 -12.431 28.589 1.00 0.00 N ATOM 1125 O ILE A 70 -5.657 -10.102 27.128 1.00 0.00 O ATOM 0 H ILE A 70 -6.347 -12.652 29.029 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.646 -13.147 26.773 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.633 -12.552 26.901 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.122 -14.490 28.304 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.903 -15.057 26.841 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.825 -13.747 24.737 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.841 -12.269 24.611 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.052 -13.863 24.654 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.056 -16.529 27.475 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -5.713 -15.736 25.919 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.920 -15.160 27.404 1.00 0.00 H new ATOM 1126 C SER A 71 -5.504 -8.777 24.478 1.00 0.00 C ATOM 1127 CA SER A 71 -4.316 -9.763 24.598 1.00 0.00 C ATOM 1128 CB SER A 71 -3.760 -10.073 23.184 1.00 0.00 C ATOM 1134 N SER A 71 -4.685 -11.031 25.279 1.00 0.00 N ATOM 1135 O SER A 71 -6.669 -9.205 24.457 1.00 0.00 O ATOM 1136 OG SER A 71 -4.721 -10.746 22.387 1.00 0.00 O ATOM 0 H SER A 71 -4.443 -11.862 24.739 1.00 0.00 H new ATOM 0 HA SER A 71 -3.556 -9.281 25.213 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.466 -9.144 22.695 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.863 -10.686 23.270 1.00 0.00 H new ATOM 0 HG SER A 71 -4.582 -10.517 21.444 1.00 0.00 H new ATOM 1137 C PRO A 72 -6.942 -6.562 22.735 1.00 0.00 C ATOM 1138 CA PRO A 72 -6.285 -6.412 24.136 1.00 0.00 C ATOM 1139 CB PRO A 72 -5.506 -5.079 24.281 1.00 0.00 C ATOM 1140 CD PRO A 72 -3.873 -6.794 24.451 1.00 0.00 C ATOM 1141 CG PRO A 72 -4.114 -5.429 23.860 1.00 0.00 C ATOM 1149 N PRO A 72 -5.225 -7.432 24.364 1.00 0.00 N ATOM 1150 O PRO A 72 -7.991 -5.970 22.465 1.00 0.00 O ATOM 0 HA PRO A 72 -7.123 -6.494 24.828 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.930 -4.298 23.650 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.533 -4.710 25.306 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.020 -5.444 22.774 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.392 -4.702 24.232 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.124 -7.352 23.889 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.519 -6.733 25.480 1.00 0.00 H new ATOM 1151 C SER A 73 -7.740 -8.979 20.659 1.00 0.00 C ATOM 1152 CA SER A 73 -6.832 -7.733 20.538 1.00 0.00 C ATOM 1153 CB SER A 73 -5.662 -8.025 19.568 1.00 0.00 C ATOM 1159 N SER A 73 -6.293 -7.353 21.856 1.00 0.00 N ATOM 1160 O SER A 73 -8.661 -9.169 19.860 1.00 0.00 O ATOM 1161 OG SER A 73 -4.714 -6.969 19.559 1.00 0.00 O ATOM 0 H SER A 73 -5.372 -7.748 22.045 1.00 0.00 H new ATOM 0 HA SER A 73 -7.431 -6.908 20.151 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.170 -8.953 19.859 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.052 -8.173 18.561 1.00 0.00 H new ATOM 0 HG SER A 73 -3.988 -7.186 18.938 1.00 0.00 H new ATOM 1162 C GLY A 74 -7.428 -12.283 21.159 1.00 0.00 C ATOM 1163 CA GLY A 74 -8.133 -11.117 21.865 1.00 0.00 C ATOM 1167 N GLY A 74 -7.437 -9.834 21.662 1.00 0.00 N ATOM 1168 O GLY A 74 -7.775 -13.447 21.376 1.00 0.00 O ATOM 0 H GLY A 74 -6.705 -9.651 22.349 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.197 -11.328 22.933 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.155 -11.036 21.494 1.00 0.00 H new ATOM 1169 C LEU A 75 -4.683 -13.675 20.581 1.00 0.00 C ATOM 1170 CA LEU A 75 -5.599 -12.933 19.597 1.00 0.00 C ATOM 1171 CB LEU A 75 -4.759 -12.238 18.475 1.00 0.00 C ATOM 1172 CD1 LEU A 75 -4.682 -10.972 16.248 1.00 0.00 C ATOM 1173 CD2 LEU A 75 -6.062 -13.112 16.467 1.00 0.00 C ATOM 1174 CG LEU A 75 -5.546 -11.842 17.190 1.00 0.00 C ATOM 1186 N LEU A 75 -6.427 -11.949 20.310 1.00 0.00 N ATOM 1187 O LEU A 75 -4.983 -14.795 20.980 1.00 0.00 O ATOM 0 H LEU A 75 -6.175 -10.982 20.104 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.258 -13.661 19.125 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.303 -11.340 18.891 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.945 -12.905 18.190 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.406 -11.241 17.485 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.260 -10.712 15.361 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.384 -10.061 16.766 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.793 -11.529 15.952 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.610 -12.823 15.571 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.216 -13.741 16.188 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.723 -13.667 17.133 1.00 0.00 H new ATOM 1188 C GLY A 76 -2.767 -13.427 23.287 1.00 0.00 C ATOM 1189 CA GLY A 76 -2.557 -13.657 21.815 1.00 0.00 C ATOM 1193 N GLY A 76 -3.584 -13.018 20.996 1.00 0.00 N ATOM 1194 O GLY A 76 -3.858 -13.673 23.809 1.00 0.00 O ATOM 0 H GLY A 76 -3.391 -12.042 20.772 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.552 -14.729 21.615 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.578 -13.275 21.527 1.00 0.00 H new ATOM 1195 C VAL A 77 -1.143 -11.317 25.712 1.00 0.00 C ATOM 1196 CA VAL A 77 -1.736 -12.699 25.384 1.00 0.00 C ATOM 1197 CB VAL A 77 -0.921 -13.844 26.100 1.00 0.00 C ATOM 1198 CG1 VAL A 77 0.580 -13.536 26.147 1.00 0.00 C ATOM 1199 CG2 VAL A 77 -1.478 -14.133 27.496 1.00 0.00 C ATOM 1209 N VAL A 77 -1.740 -12.904 23.944 1.00 0.00 N ATOM 1210 O VAL A 77 -0.555 -10.665 24.844 1.00 0.00 O ATOM 0 H VAL A 77 -0.878 -12.608 23.486 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.761 -12.734 25.752 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.042 -14.747 25.502 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.103 -14.350 26.648 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.962 -13.430 25.132 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.744 -12.608 26.695 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.895 -14.927 27.963 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.418 -13.231 28.106 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.519 -14.447 27.415 1.00 0.00 H new ATOM 1211 C TYR A 78 -0.370 -10.002 29.015 1.00 0.00 C ATOM 1212 CA TYR A 78 -0.720 -9.702 27.540 1.00 0.00 C ATOM 1213 CB TYR A 78 -1.689 -8.491 27.433 1.00 0.00 C ATOM 1214 CD1 TYR A 78 -1.445 -6.764 29.312 1.00 0.00 C ATOM 1215 CD2 TYR A 78 -0.173 -6.435 27.312 1.00 0.00 C ATOM 1216 CE1 TYR A 78 -0.889 -5.626 29.857 1.00 0.00 C ATOM 1217 CE2 TYR A 78 0.382 -5.290 27.856 1.00 0.00 C ATOM 1218 CG TYR A 78 -1.104 -7.199 28.024 1.00 0.00 C ATOM 1219 CZ TYR A 78 0.026 -4.892 29.126 1.00 0.00 C ATOM 1229 N TYR A 78 -1.312 -10.906 26.965 1.00 0.00 N ATOM 1230 O TYR A 78 -1.263 -10.213 29.844 1.00 0.00 O ATOM 1231 OH TYR A 78 0.587 -3.751 29.672 1.00 0.00 O ATOM 0 H TYR A 78 -1.886 -11.421 27.633 1.00 0.00 H new ATOM 0 HA TYR A 78 0.181 -9.433 26.988 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.939 -8.324 26.385 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.619 -8.731 27.948 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.159 -7.332 29.890 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.118 -6.745 26.319 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -1.167 -5.309 30.851 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.093 -4.710 27.286 1.00 0.00 H new ATOM 0 HH TYR A 78 1.211 -3.353 29.029 1.00 0.00 H new ATOM 1232 C PHE A 79 1.587 -8.911 31.398 1.00 0.00 C ATOM 1233 CA PHE A 79 1.422 -10.266 30.698 1.00 0.00 C ATOM 1234 CB PHE A 79 2.754 -11.064 30.693 1.00 0.00 C ATOM 1235 CD1 PHE A 79 1.538 -13.133 29.900 1.00 0.00 C ATOM 1236 CD2 PHE A 79 3.789 -13.028 29.480 1.00 0.00 C ATOM 1237 CE1 PHE A 79 1.494 -14.373 29.296 1.00 0.00 C ATOM 1238 CE2 PHE A 79 3.735 -14.273 28.877 1.00 0.00 C ATOM 1239 CG PHE A 79 2.690 -12.441 30.013 1.00 0.00 C ATOM 1240 CZ PHE A 79 2.584 -14.930 28.775 1.00 0.00 C ATOM 1250 N PHE A 79 0.933 -10.053 29.323 1.00 0.00 N ATOM 1251 O PHE A 79 2.472 -8.125 31.041 1.00 0.00 O ATOM 0 H PHE A 79 1.677 -9.949 28.633 1.00 0.00 H new ATOM 0 HA PHE A 79 0.692 -10.858 31.250 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.516 -10.465 30.194 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.081 -11.201 31.724 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.627 -12.706 30.292 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.735 -12.509 29.527 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.554 -14.903 29.245 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.639 -14.716 28.485 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.535 -15.890 28.283 1.00 0.00 H new ATOM 1252 C GLU A 80 1.825 -7.042 33.931 1.00 0.00 C ATOM 1253 CA GLU A 80 0.595 -7.358 33.066 1.00 0.00 C ATOM 1254 CB GLU A 80 -0.691 -7.309 33.944 1.00 0.00 C ATOM 1255 CD GLU A 80 -2.095 -5.976 35.660 1.00 0.00 C ATOM 1256 CG GLU A 80 -0.851 -6.006 34.764 1.00 0.00 C ATOM 1263 N GLU A 80 0.728 -8.670 32.393 1.00 0.00 N ATOM 1264 O GLU A 80 2.328 -5.916 33.922 1.00 0.00 O ATOM 1265 OE1 GLU A 80 -1.994 -6.327 36.857 1.00 0.00 O ATOM 1266 OE2 GLU A 80 -3.179 -5.591 35.174 1.00 0.00 O ATOM 0 H GLU A 80 0.097 -9.381 32.763 1.00 0.00 H new ATOM 0 HA GLU A 80 0.520 -6.603 32.284 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.562 -7.429 33.300 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.682 -8.157 34.629 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.034 -5.870 35.386 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.891 -5.160 34.077 1.00 0.00 H new ATOM 1267 C THR A 81 4.746 -7.574 34.770 1.00 0.00 C ATOM 1268 CA THR A 81 3.469 -7.933 35.562 1.00 0.00 C ATOM 1269 CB THR A 81 3.653 -9.265 36.345 1.00 0.00 C ATOM 1270 CG2 THR A 81 4.795 -9.214 37.379 1.00 0.00 C ATOM 1278 N THR A 81 2.294 -8.050 34.675 1.00 0.00 N ATOM 1279 O THR A 81 5.662 -6.930 35.295 1.00 0.00 O ATOM 1280 OG1 THR A 81 2.425 -9.558 37.019 1.00 0.00 O ATOM 0 H THR A 81 1.870 -8.978 34.682 1.00 0.00 H new ATOM 0 HA THR A 81 3.296 -7.120 36.267 1.00 0.00 H new ATOM 0 HB THR A 81 3.919 -10.038 35.624 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.497 -9.294 37.960 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.868 -10.175 37.888 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.736 -9.000 36.872 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.590 -8.431 38.109 1.00 0.00 H new ATOM 1281 C LEU A 82 5.620 -6.400 31.770 1.00 0.00 C ATOM 1282 CA LEU A 82 5.910 -7.676 32.584 1.00 0.00 C ATOM 1283 CB LEU A 82 6.123 -8.868 31.604 1.00 0.00 C ATOM 1284 CD1 LEU A 82 6.387 -11.386 31.207 1.00 0.00 C ATOM 1285 CD2 LEU A 82 7.067 -10.405 33.410 1.00 0.00 C ATOM 1286 CG LEU A 82 6.098 -10.293 32.242 1.00 0.00 C ATOM 1298 N LEU A 82 4.786 -7.983 33.490 1.00 0.00 N ATOM 1299 O LEU A 82 6.548 -5.771 31.240 1.00 0.00 O ATOM 0 H LEU A 82 4.045 -8.533 33.055 1.00 0.00 H new ATOM 0 HA LEU A 82 6.806 -7.516 33.183 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.352 -8.822 30.835 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.081 -8.733 31.102 1.00 0.00 H new ATOM 0 HG LEU A 82 5.088 -10.444 32.622 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.360 -12.362 31.691 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.633 -11.351 30.420 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.373 -11.224 30.772 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.020 -11.411 33.827 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.080 -10.203 33.063 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.796 -9.681 34.178 1.00 0.00 H new ATOM 1300 C GLU A 83 4.130 -5.263 29.341 1.00 0.00 C ATOM 1301 CA GLU A 83 3.773 -4.971 30.825 1.00 0.00 C ATOM 1302 CB GLU A 83 4.228 -3.557 31.310 1.00 0.00 C ATOM 1303 CD GLU A 83 4.197 -1.855 33.259 1.00 0.00 C ATOM 1304 CG GLU A 83 3.787 -3.248 32.760 1.00 0.00 C ATOM 1311 N GLU A 83 4.315 -6.028 31.715 1.00 0.00 N ATOM 1312 O GLU A 83 4.267 -4.357 28.518 1.00 0.00 O ATOM 1313 OE1 GLU A 83 3.381 -0.910 33.184 1.00 0.00 O ATOM 1314 OE2 GLU A 83 5.347 -1.693 33.709 1.00 0.00 O ATOM 0 H GLU A 83 3.599 -6.462 32.298 1.00 0.00 H new ATOM 0 HA GLU A 83 2.684 -4.977 30.880 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.314 -3.487 31.243 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.818 -2.800 30.642 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.703 -3.341 32.826 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.212 -4.000 33.425 1.00 0.00 H new ATOM 1315 C GLU A 84 3.404 -7.974 27.175 1.00 0.00 C ATOM 1316 CA GLU A 84 4.566 -7.122 27.712 1.00 0.00 C ATOM 1317 CB GLU A 84 5.847 -8.001 27.825 1.00 0.00 C ATOM 1318 CD GLU A 84 7.510 -6.145 27.251 1.00 0.00 C ATOM 1319 CG GLU A 84 7.125 -7.254 28.239 1.00 0.00 C ATOM 1326 N GLU A 84 4.214 -6.574 29.037 1.00 0.00 N ATOM 1327 O GLU A 84 2.406 -8.179 27.868 1.00 0.00 O ATOM 1328 OE1 GLU A 84 7.407 -4.954 27.599 1.00 0.00 O ATOM 1329 OE2 GLU A 84 7.893 -6.466 26.105 1.00 0.00 O ATOM 0 H GLU A 84 4.033 -7.302 29.728 1.00 0.00 H new ATOM 0 HA GLU A 84 4.756 -6.296 27.026 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.660 -8.795 28.548 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.023 -8.482 26.863 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.982 -6.820 29.229 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.947 -7.965 28.318 1.00 0.00 H new ATOM 1330 C ASP A 85 3.227 -10.397 24.407 1.00 0.00 C ATOM 1331 CA ASP A 85 2.549 -9.317 25.268 1.00 0.00 C ATOM 1332 CB ASP A 85 1.645 -8.406 24.385 1.00 0.00 C ATOM 1333 CG ASP A 85 2.391 -7.763 23.201 1.00 0.00 C ATOM 1338 N ASP A 85 3.571 -8.504 25.954 1.00 0.00 N ATOM 1339 O ASP A 85 4.395 -10.254 24.032 1.00 0.00 O ATOM 1340 OD1 ASP A 85 3.123 -6.772 23.417 1.00 0.00 O ATOM 1341 OD2 ASP A 85 2.248 -8.247 22.052 1.00 0.00 O ATOM 0 H ASP A 85 4.424 -8.381 25.409 1.00 0.00 H new ATOM 0 HA ASP A 85 1.924 -9.807 26.015 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.812 -8.996 24.002 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.219 -7.618 25.007 1.00 0.00 H new ATOM 1342 C VAL A 86 1.872 -12.636 22.067 1.00 0.00 C ATOM 1343 CA VAL A 86 2.932 -12.530 23.173 1.00 0.00 C ATOM 1344 CB VAL A 86 3.126 -13.953 23.842 1.00 0.00 C ATOM 1345 CG1 VAL A 86 3.681 -14.967 22.831 1.00 0.00 C ATOM 1346 CG2 VAL A 86 4.028 -13.896 25.089 1.00 0.00 C ATOM 1356 N VAL A 86 2.491 -11.484 24.116 1.00 0.00 N ATOM 1357 O VAL A 86 0.726 -13.005 22.340 1.00 0.00 O ATOM 0 H VAL A 86 1.575 -11.663 24.527 1.00 0.00 H new ATOM 0 HA VAL A 86 3.909 -12.239 22.788 1.00 0.00 H new ATOM 0 HB VAL A 86 2.139 -14.282 24.166 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.804 -15.935 23.317 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.987 -15.066 21.996 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.646 -14.621 22.461 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.130 -14.896 25.511 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.012 -13.518 24.810 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.582 -13.233 25.831 1.00 0.00 H new ATOM 1358 C SER A 87 1.108 -13.878 19.353 1.00 0.00 C ATOM 1359 CA SER A 87 1.391 -12.396 19.650 1.00 0.00 C ATOM 1360 CB SER A 87 2.046 -11.716 18.423 1.00 0.00 C ATOM 1366 N SER A 87 2.258 -12.270 20.832 1.00 0.00 N ATOM 1367 O SER A 87 2.046 -14.674 19.205 1.00 0.00 O ATOM 1368 OG SER A 87 1.236 -11.841 17.258 1.00 0.00 O ATOM 0 H SER A 87 3.178 -11.880 20.627 1.00 0.00 H new ATOM 0 HA SER A 87 0.446 -11.895 19.858 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.214 -10.661 18.638 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.023 -12.163 18.237 1.00 0.00 H new ATOM 0 HG SER A 87 1.678 -11.399 16.503 1.00 0.00 H new ATOM 1369 C LEU A 88 -0.190 -15.972 17.523 1.00 0.00 C ATOM 1370 CA LEU A 88 -0.623 -15.603 18.939 1.00 0.00 C ATOM 1371 CB LEU A 88 -2.157 -15.742 19.029 1.00 0.00 C ATOM 1372 CD1 LEU A 88 -2.163 -17.851 20.429 1.00 0.00 C ATOM 1373 CD2 LEU A 88 -4.214 -17.247 19.003 1.00 0.00 C ATOM 1374 CG LEU A 88 -2.675 -17.199 19.121 1.00 0.00 C ATOM 1386 N LEU A 88 -0.189 -14.235 19.273 1.00 0.00 N ATOM 1387 O LEU A 88 0.264 -17.085 17.255 1.00 0.00 O ATOM 0 H LEU A 88 -0.959 -13.587 19.437 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.156 -16.273 19.661 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.507 -15.192 19.902 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.602 -15.268 18.154 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.283 -17.776 18.283 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.528 -18.876 20.492 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.073 -17.854 20.432 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.527 -17.283 21.285 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.552 -18.281 19.071 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.659 -16.666 19.811 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.519 -16.828 18.044 1.00 0.00 H new ATOM 1388 C ILE A 89 1.521 -15.287 15.122 1.00 0.00 C ATOM 1389 CA ILE A 89 0.007 -15.092 15.227 1.00 0.00 C ATOM 1390 CB ILE A 89 -0.454 -13.811 14.438 1.00 0.00 C ATOM 1391 CD1 ILE A 89 -2.933 -14.625 14.468 1.00 0.00 C ATOM 1392 CG1 ILE A 89 -1.953 -13.492 14.756 1.00 0.00 C ATOM 1393 CG2 ILE A 89 -0.222 -13.962 12.911 1.00 0.00 C ATOM 1405 N ILE A 89 -0.355 -14.990 16.640 1.00 0.00 N ATOM 1406 O ILE A 89 1.991 -16.098 14.334 1.00 0.00 O ATOM 0 H ILE A 89 -0.751 -14.084 16.890 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.500 -15.947 14.779 1.00 0.00 H new ATOM 0 HB ILE A 89 0.157 -12.972 14.769 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.035 -13.221 15.809 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.253 -12.618 14.178 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.553 -13.057 12.401 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.839 -14.120 12.718 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.789 -14.816 12.539 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.944 -14.305 14.721 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.889 -14.884 13.410 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.668 -15.496 15.067 1.00 0.00 H new ATOM 1407 C GLY A 90 4.083 -16.173 16.528 1.00 0.00 C ATOM 1408 CA GLY A 90 3.688 -14.738 16.156 1.00 0.00 C ATOM 1412 N GLY A 90 2.250 -14.573 15.998 1.00 0.00 N ATOM 1413 O GLY A 90 5.063 -16.693 16.015 1.00 0.00 O ATOM 0 H GLY A 90 1.848 -13.866 16.613 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.186 -14.458 15.228 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.045 -14.056 16.928 1.00 0.00 H new ATOM 1414 C LEU A 91 3.307 -19.186 16.579 1.00 0.00 C ATOM 1415 CA LEU A 91 3.523 -18.240 17.780 1.00 0.00 C ATOM 1416 CB LEU A 91 2.582 -18.619 18.950 1.00 0.00 C ATOM 1417 CD1 LEU A 91 1.702 -18.167 21.311 1.00 0.00 C ATOM 1418 CD2 LEU A 91 4.193 -17.881 20.802 1.00 0.00 C ATOM 1419 CG LEU A 91 2.751 -17.775 20.251 1.00 0.00 C ATOM 1431 N LEU A 91 3.285 -16.828 17.386 1.00 0.00 N ATOM 1432 O LEU A 91 4.007 -20.197 16.429 1.00 0.00 O ATOM 0 H LEU A 91 2.466 -16.408 17.825 1.00 0.00 H new ATOM 0 HA LEU A 91 4.557 -18.346 18.108 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.551 -18.525 18.609 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.742 -19.669 19.196 1.00 0.00 H new ATOM 0 HG LEU A 91 2.578 -16.729 19.997 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.845 -17.562 22.206 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.702 -17.996 20.914 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.816 -19.221 21.564 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.281 -17.283 21.709 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.419 -18.922 21.031 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.896 -17.513 20.055 1.00 0.00 H new ATOM 1433 C LEU A 92 2.984 -19.254 13.330 1.00 0.00 C ATOM 1434 CA LEU A 92 1.998 -19.565 14.490 1.00 0.00 C ATOM 1435 CB LEU A 92 0.534 -19.220 14.090 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -1.930 -18.931 14.786 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -0.639 -21.045 15.478 1.00 0.00 C ATOM 1438 CG LEU A 92 -0.553 -19.522 15.180 1.00 0.00 C ATOM 1450 N LEU A 92 2.343 -18.815 15.717 1.00 0.00 N ATOM 1451 O LEU A 92 3.019 -19.973 12.329 1.00 0.00 O ATOM 0 H LEU A 92 1.775 -17.979 15.852 1.00 0.00 H new ATOM 0 HA LEU A 92 2.082 -20.633 14.690 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.485 -18.161 13.837 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.282 -19.776 13.187 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.247 -19.028 16.102 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.660 -19.159 15.563 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.844 -17.850 14.675 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.257 -19.368 13.842 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.400 -21.225 16.237 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.903 -21.580 14.566 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.326 -21.400 15.841 1.00 0.00 H new ATOM 1452 C GLU A 93 6.219 -18.219 12.941 1.00 0.00 C ATOM 1453 CA GLU A 93 4.812 -17.767 12.495 1.00 0.00 C ATOM 1454 CB GLU A 93 4.793 -16.221 12.320 1.00 0.00 C ATOM 1455 CD GLU A 93 3.260 -16.132 10.257 1.00 0.00 C ATOM 1456 CG GLU A 93 3.506 -15.645 11.694 1.00 0.00 C ATOM 1463 N GLU A 93 3.771 -18.171 13.475 1.00 0.00 N ATOM 1464 O GLU A 93 7.139 -18.305 12.117 1.00 0.00 O ATOM 1465 OE1 GLU A 93 3.851 -15.555 9.320 1.00 0.00 O ATOM 1466 OE2 GLU A 93 2.496 -17.103 10.057 1.00 0.00 O ATOM 0 H GLU A 93 3.707 -17.545 14.278 1.00 0.00 H new ATOM 0 HA GLU A 93 4.587 -18.254 11.546 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.941 -15.759 13.296 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.641 -15.932 11.699 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.653 -15.920 12.315 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.564 -14.557 11.697 1.00 0.00 H new ATOM 1467 C GLY A 94 8.326 -17.295 15.237 1.00 0.00 C ATOM 1468 CA GLY A 94 7.702 -18.654 14.876 1.00 0.00 C ATOM 1472 N GLY A 94 6.374 -18.494 14.252 1.00 0.00 N ATOM 1473 O GLY A 94 9.490 -17.214 15.648 1.00 0.00 O ATOM 0 H GLY A 94 5.594 -18.610 14.899 1.00 0.00 H new ATOM 0 HA2 GLY A 94 7.611 -19.263 15.775 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.363 -19.189 14.194 1.00 0.00 H new ATOM 1474 C ARG A 95 7.636 -14.615 16.919 1.00 0.00 C ATOM 1475 CA ARG A 95 7.837 -14.830 15.392 1.00 0.00 C ATOM 1476 CB ARG A 95 6.921 -13.882 14.542 1.00 0.00 C ATOM 1477 CD ARG A 95 8.645 -12.204 13.670 1.00 0.00 C ATOM 1478 CG ARG A 95 7.352 -12.400 14.480 1.00 0.00 C ATOM 1479 CZ ARG A 95 9.569 -12.876 11.439 1.00 0.00 C ATOM 1493 N ARG A 95 7.514 -16.229 15.054 1.00 0.00 N ATOM 1494 NE ARG A 95 8.553 -12.778 12.310 1.00 0.00 N ATOM 1495 NH1 ARG A 95 10.768 -12.379 11.721 1.00 0.00 N ATOM 1496 NH2 ARG A 95 9.374 -13.469 10.277 1.00 0.00 N ATOM 1497 O ARG A 95 6.705 -13.929 17.371 1.00 0.00 O ATOM 0 H ARG A 95 6.582 -16.327 14.652 1.00 0.00 H new ATOM 0 HA ARG A 95 8.876 -14.601 15.157 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.876 -14.270 13.524 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.910 -13.929 14.946 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.552 -11.809 14.033 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.499 -12.023 15.492 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.867 -11.139 13.597 1.00 0.00 H new ATOM 0 HD3 ARG A 95 9.477 -12.667 14.201 1.00 0.00 H new ATOM 0 HE ARG A 95 7.643 -13.128 12.010 1.00 0.00 H new ATOM 0 HH11 ARG A 95 10.930 -11.912 12.613 1.00 0.00 H new ATOM 0 HH12 ARG A 95 11.527 -12.464 11.045 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.456 -13.849 10.046 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.141 -13.548 9.609 1.00 0.00 H new ATOM 1498 C ARG A 96 8.778 -13.820 19.736 1.00 0.00 C ATOM 1499 CA ARG A 96 8.518 -15.243 19.175 1.00 0.00 C ATOM 1500 CB ARG A 96 9.592 -16.245 19.675 1.00 0.00 C ATOM 1501 CD ARG A 96 11.971 -17.179 19.358 1.00 0.00 C ATOM 1502 CG ARG A 96 10.990 -16.031 19.059 1.00 0.00 C ATOM 1503 CZ ARG A 96 11.703 -19.362 18.145 1.00 0.00 C ATOM 1517 N ARG A 96 8.514 -15.265 17.692 1.00 0.00 N ATOM 1518 NE ARG A 96 11.368 -18.497 19.102 1.00 0.00 N ATOM 1519 NH1 ARG A 96 12.563 -19.037 17.190 1.00 0.00 N ATOM 1520 NH2 ARG A 96 11.141 -20.550 18.147 1.00 0.00 N ATOM 1521 O ARG A 96 8.436 -13.510 20.886 1.00 0.00 O ATOM 0 H ARG A 96 9.263 -15.837 17.302 1.00 0.00 H new ATOM 0 HA ARG A 96 7.533 -15.538 19.538 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.669 -16.167 20.759 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.260 -17.259 19.451 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.890 -15.920 17.979 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.407 -15.098 19.438 1.00 0.00 H new ATOM 0 HD2 ARG A 96 12.864 -17.063 18.744 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.290 -17.122 20.399 1.00 0.00 H new ATOM 0 HE ARG A 96 10.611 -18.779 19.725 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.984 -18.108 17.177 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.804 -19.716 16.468 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.464 -20.793 18.871 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.381 -21.229 17.425 1.00 0.00 H new ATOM 1522 C GLY A 97 9.846 -10.850 17.836 1.00 0.00 C ATOM 1523 CA GLY A 97 9.599 -11.569 19.143 1.00 0.00 C ATOM 1527 N GLY A 97 9.417 -12.996 18.900 1.00 0.00 N ATOM 1528 O GLY A 97 9.581 -11.411 16.764 1.00 0.00 O ATOM 0 H GLY A 97 9.828 -13.311 18.021 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.715 -11.159 19.632 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.439 -11.411 19.819 1.00 0.00 H new ATOM 1529 C SER A 98 11.948 -9.583 16.019 1.00 0.00 C ATOM 1530 CA SER A 98 10.779 -8.850 16.728 1.00 0.00 C ATOM 1531 CB SER A 98 11.201 -7.428 17.165 1.00 0.00 C ATOM 1537 N SER A 98 10.352 -9.616 17.915 1.00 0.00 N ATOM 1538 O SER A 98 12.709 -10.304 16.676 1.00 0.00 O ATOM 1539 OG SER A 98 10.188 -6.809 17.942 1.00 0.00 O ATOM 0 H SER A 98 10.479 -9.117 18.796 1.00 0.00 H new ATOM 0 HA SER A 98 9.953 -8.769 16.022 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.124 -7.481 17.742 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.410 -6.821 16.284 1.00 0.00 H new ATOM 0 HG SER A 98 10.481 -5.912 18.207 1.00 0.00 H new ATOM 1540 C ALA A 99 14.524 -9.591 14.331 1.00 0.00 C ATOM 1541 CA ALA A 99 13.128 -10.059 13.874 1.00 0.00 C ATOM 1542 CB ALA A 99 12.903 -9.777 12.379 1.00 0.00 C ATOM 1548 N ALA A 99 12.068 -9.411 14.689 1.00 0.00 N ATOM 1549 O ALA A 99 15.457 -10.409 14.503 1.00 0.00 O ATOM 0 H ALA A 99 11.438 -8.822 14.145 1.00 0.00 H new ATOM 0 HA ALA A 99 13.074 -11.138 14.023 1.00 0.00 H new ATOM 0 HB1 ALA A 99 13.688 -10.259 11.796 1.00 0.00 H new ATOM 0 HB2 ALA A 99 11.933 -10.171 12.076 1.00 0.00 H new ATOM 0 HB3 ALA A 99 12.929 -8.701 12.204 1.00 0.00 H new ATOM 1550 C LYS A 100 16.145 -8.261 16.536 1.00 0.00 C ATOM 1551 CA LYS A 100 15.846 -7.648 15.149 1.00 0.00 C ATOM 1552 CB LYS A 100 15.707 -6.098 15.257 1.00 0.00 C ATOM 1553 CD LYS A 100 14.587 -4.095 16.459 1.00 0.00 C ATOM 1554 CE LYS A 100 15.775 -3.774 17.385 1.00 0.00 C ATOM 1555 CG LYS A 100 14.501 -5.598 16.095 1.00 0.00 C ATOM 1569 N LYS A 100 14.636 -8.265 14.565 1.00 0.00 N ATOM 1570 NZ LYS A 100 15.777 -2.355 17.838 1.00 0.00 N ATOM 1571 O LYS A 100 17.280 -8.639 16.816 1.00 0.00 O ATOM 0 H LYS A 100 13.895 -7.596 14.356 1.00 0.00 H new ATOM 0 HA LYS A 100 16.681 -7.858 14.481 1.00 0.00 H new ATOM 0 HB2 LYS A 100 16.622 -5.697 15.692 1.00 0.00 H new ATOM 0 HB3 LYS A 100 15.625 -5.686 14.251 1.00 0.00 H new ATOM 0 HG2 LYS A 100 13.581 -5.777 15.538 1.00 0.00 H new ATOM 0 HG3 LYS A 100 14.437 -6.183 17.012 1.00 0.00 H new ATOM 0 HD2 LYS A 100 14.676 -3.509 15.545 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.660 -3.790 16.945 1.00 0.00 H new ATOM 0 HE2 LYS A 100 15.741 -4.430 18.255 1.00 0.00 H new ATOM 0 HE3 LYS A 100 16.707 -3.986 16.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 16.595 -2.190 18.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 15.837 -1.727 17.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 14.900 -2.156 18.361 1.00 0.00 H new ATOM 1572 C TRP A 101 15.710 -10.414 18.683 1.00 0.00 C ATOM 1573 CA TRP A 101 15.187 -8.967 18.721 1.00 0.00 C ATOM 1574 CB TRP A 101 13.811 -8.908 19.453 1.00 0.00 C ATOM 1575 CD1 TRP A 101 14.159 -8.934 22.005 1.00 0.00 C ATOM 1576 CD2 TRP A 101 13.534 -10.907 21.160 1.00 0.00 C ATOM 1577 CE2 TRP A 101 13.723 -11.051 22.534 1.00 0.00 C ATOM 1578 CE3 TRP A 101 13.129 -12.016 20.414 1.00 0.00 C ATOM 1579 CG TRP A 101 13.831 -9.539 20.829 1.00 0.00 C ATOM 1580 CH2 TRP A 101 13.147 -13.328 22.432 1.00 0.00 C ATOM 1581 CZ2 TRP A 101 13.540 -12.259 23.182 1.00 0.00 C ATOM 1582 CZ3 TRP A 101 12.948 -13.219 21.058 1.00 0.00 C ATOM 1593 N TRP A 101 15.085 -8.416 17.358 1.00 0.00 N ATOM 1594 NE1 TRP A 101 14.105 -9.839 23.030 1.00 0.00 N ATOM 1595 O TRP A 101 16.478 -10.803 19.538 1.00 0.00 O ATOM 0 H TRP A 101 14.134 -8.161 17.092 1.00 0.00 H new ATOM 0 HA TRP A 101 15.896 -8.354 19.278 1.00 0.00 H new ATOM 0 HB2 TRP A 101 13.501 -7.867 19.544 1.00 0.00 H new ATOM 0 HB3 TRP A 101 13.062 -9.411 18.842 1.00 0.00 H new ATOM 0 HD1 TRP A 101 14.423 -7.892 22.112 1.00 0.00 H new ATOM 0 HE1 TRP A 101 14.316 -9.639 24.008 1.00 0.00 H new ATOM 0 HE3 TRP A 101 12.961 -11.931 19.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 13.703 -12.353 24.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 12.648 -14.088 20.491 1.00 0.00 H new ATOM 0 HH2 TRP A 101 12.986 -14.281 22.915 1.00 0.00 H new ATOM 1596 C MET A 102 17.127 -12.749 17.071 1.00 0.00 C ATOM 1597 CA MET A 102 15.666 -12.620 17.547 1.00 0.00 C ATOM 1598 CB MET A 102 14.690 -13.389 16.609 1.00 0.00 C ATOM 1599 CE MET A 102 11.936 -13.492 14.785 1.00 0.00 C ATOM 1600 CG MET A 102 13.295 -13.628 17.217 1.00 0.00 C ATOM 1610 N MET A 102 15.265 -11.201 17.691 1.00 0.00 N ATOM 1611 O MET A 102 17.740 -13.807 17.244 1.00 0.00 O ATOM 1612 SD MET A 102 12.198 -14.602 16.162 1.00 0.00 S ATOM 0 H MET A 102 14.621 -10.880 16.968 1.00 0.00 H new ATOM 0 HA MET A 102 15.606 -13.081 18.533 1.00 0.00 H new ATOM 0 HB2 MET A 102 14.579 -12.830 15.680 1.00 0.00 H new ATOM 0 HB3 MET A 102 15.132 -14.351 16.351 1.00 0.00 H new ATOM 0 HG2 MET A 102 13.408 -14.136 18.175 1.00 0.00 H new ATOM 0 HG3 MET A 102 12.827 -12.665 17.420 1.00 0.00 H new ATOM 0 HE1 MET A 102 11.208 -13.927 14.100 1.00 0.00 H new ATOM 0 HE2 MET A 102 11.562 -12.537 15.154 1.00 0.00 H new ATOM 0 HE3 MET A 102 12.878 -13.334 14.260 1.00 0.00 H new