USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 707 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 47 LYS NZ :NH3+ 160:sc= 1.09 (180deg=0) USER MOD Set 1.2: A 62 THR OG1 : rot -160:sc= 0.931 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 140:sc= -0.275 (180deg=-0.617) USER MOD Single : A 33 TYR OH : rot 14:sc=0.000572 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 86:sc= 1.3 USER MOD Single : A 45 MET CE :methyl -164:sc= -0.336 (180deg=-0.674) USER MOD Single : A 49 LYS NZ :NH3+ -166:sc= 1.23 (180deg=0.982) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -174:sc=-0.00719 (180deg=-0.188) USER MOD Single : A 74 CYS SG : rot 80:sc= 0.488 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -170:sc= -0.11 (180deg=-0.168) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 148:sc= 2.01 USER MOD Single : A 109 THR OG1 : rot 103:sc= 1.28 USER MOD Single : A 110 GLN : amide:sc= -0.669 X(o=-0.67,f=-0.48) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 280 N ILE A 18 -1.180 -7.896 12.597 1.00 0.00 N ATOM 281 CA ILE A 18 -2.226 -7.643 11.598 1.00 0.00 C ATOM 282 C ILE A 18 -3.117 -8.880 11.435 1.00 0.00 C ATOM 283 O ILE A 18 -4.340 -8.734 11.410 1.00 0.00 O ATOM 284 CB ILE A 18 -1.616 -7.151 10.257 1.00 0.00 C ATOM 285 CG1 ILE A 18 -0.608 -5.997 10.491 1.00 0.00 C ATOM 286 CG2 ILE A 18 -2.731 -6.704 9.293 1.00 0.00 C ATOM 287 CD1 ILE A 18 -0.054 -5.346 9.218 1.00 0.00 C ATOM 0 HA ILE A 18 -2.866 -6.834 11.951 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.075 -7.983 9.807 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.094 -5.228 11.091 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.227 -6.379 11.078 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.288 -6.362 8.358 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.397 -7.543 9.093 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.298 -5.890 9.745 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.641 -4.551 9.489 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.466 -6.096 8.623 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.875 -4.927 8.637 1.00 0.00 H new ATOM 299 N ILE A 19 -2.548 -10.092 11.377 1.00 0.00 N ATOM 300 CA ILE A 19 -3.292 -11.310 11.035 1.00 0.00 C ATOM 301 C ILE A 19 -3.098 -12.440 12.068 1.00 0.00 C ATOM 302 O ILE A 19 -3.322 -13.606 11.754 1.00 0.00 O ATOM 303 CB ILE A 19 -2.966 -11.721 9.587 1.00 0.00 C ATOM 304 CG1 ILE A 19 -1.456 -11.941 9.420 1.00 0.00 C ATOM 305 CG2 ILE A 19 -3.502 -10.684 8.576 1.00 0.00 C ATOM 306 CD1 ILE A 19 -1.168 -12.840 8.232 1.00 0.00 C ATOM 0 H ILE A 19 -1.559 -10.255 11.566 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.360 -11.096 11.083 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.470 -12.664 9.377 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.957 -10.981 9.284 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.047 -12.387 10.326 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.256 -11.003 7.563 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.584 -10.602 8.678 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.045 -9.714 8.772 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.092 -12.981 8.135 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.648 -13.807 8.383 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.557 -12.379 7.324 1.00 0.00 H new ATOM 318 N VAL A 20 -2.686 -12.115 13.296 1.00 0.00 N ATOM 319 CA VAL A 20 -2.323 -13.087 14.334 1.00 0.00 C ATOM 320 C VAL A 20 -3.398 -14.158 14.606 1.00 0.00 C ATOM 321 O VAL A 20 -3.055 -15.323 14.816 1.00 0.00 O ATOM 322 CB VAL A 20 -1.886 -12.320 15.604 1.00 0.00 C ATOM 323 CG1 VAL A 20 -3.049 -11.609 16.316 1.00 0.00 C ATOM 324 CG2 VAL A 20 -1.152 -13.229 16.597 1.00 0.00 C ATOM 0 H VAL A 20 -2.593 -11.147 13.605 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.483 -13.675 13.966 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.199 -11.552 15.249 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.673 -11.091 17.198 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.504 -10.887 15.638 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.795 -12.344 16.618 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.863 -12.651 17.474 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.810 -14.043 16.900 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.261 -13.640 16.123 1.00 0.00 H new ATOM 334 N ASP A 21 -4.686 -13.793 14.574 1.00 0.00 N ATOM 335 CA ASP A 21 -5.811 -14.697 14.872 1.00 0.00 C ATOM 336 C ASP A 21 -6.547 -15.126 13.584 1.00 0.00 C ATOM 337 O ASP A 21 -7.573 -15.833 13.603 1.00 0.00 O ATOM 338 CB ASP A 21 -6.757 -13.988 15.852 1.00 0.00 C ATOM 339 CG ASP A 21 -7.890 -14.899 16.357 1.00 0.00 C ATOM 340 OD1 ASP A 21 -7.602 -15.969 16.941 1.00 0.00 O ATOM 341 OD2 ASP A 21 -9.076 -14.518 16.237 1.00 0.00 O ATOM 0 H ASP A 21 -4.983 -12.847 14.337 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.433 -15.612 15.329 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.183 -13.624 16.704 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.190 -13.115 15.364 1.00 0.00 H new ATOM 346 N ALA A 22 -6.014 -14.660 12.450 1.00 0.00 N ATOM 347 CA ALA A 22 -6.626 -14.742 11.148 1.00 0.00 C ATOM 348 C ALA A 22 -5.948 -15.823 10.317 1.00 0.00 C ATOM 349 O ALA A 22 -4.724 -15.855 10.176 1.00 0.00 O ATOM 350 CB ALA A 22 -6.528 -13.389 10.443 1.00 0.00 C ATOM 0 H ALA A 22 -5.105 -14.198 12.429 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.678 -15.003 11.264 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.992 -13.457 9.459 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.042 -12.632 11.035 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.480 -13.112 10.331 1.00 0.00 H new ATOM 356 N GLU A 23 -6.776 -16.636 9.677 1.00 0.00 N ATOM 357 CA GLU A 23 -6.405 -17.614 8.652 1.00 0.00 C ATOM 358 C GLU A 23 -7.551 -17.778 7.651 1.00 0.00 C ATOM 359 O GLU A 23 -7.308 -18.094 6.486 1.00 0.00 O ATOM 360 CB GLU A 23 -6.104 -19.025 9.200 1.00 0.00 C ATOM 361 CG GLU A 23 -5.269 -19.185 10.479 1.00 0.00 C ATOM 362 CD GLU A 23 -6.173 -19.180 11.719 1.00 0.00 C ATOM 363 OE1 GLU A 23 -6.910 -20.159 11.972 1.00 0.00 O ATOM 364 OE2 GLU A 23 -6.268 -18.159 12.427 1.00 0.00 O ATOM 0 H GLU A 23 -7.778 -16.635 9.865 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.496 -17.216 8.201 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.061 -19.518 9.373 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.598 -19.580 8.410 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.705 -20.117 10.437 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.542 -18.376 10.549 1.00 0.00 H new ATOM 371 N ASP A 24 -8.799 -17.604 8.101 1.00 0.00 N ATOM 372 CA ASP A 24 -9.986 -17.726 7.293 1.00 0.00 C ATOM 373 C ASP A 24 -9.993 -16.449 6.447 1.00 0.00 C ATOM 374 O ASP A 24 -9.596 -15.385 6.935 1.00 0.00 O ATOM 375 CB ASP A 24 -11.194 -17.877 8.234 1.00 0.00 C ATOM 376 CG ASP A 24 -11.065 -19.065 9.228 1.00 0.00 C ATOM 377 OD1 ASP A 24 -10.491 -18.923 10.344 1.00 0.00 O ATOM 378 OD2 ASP A 24 -11.558 -20.166 8.893 1.00 0.00 O ATOM 0 H ASP A 24 -9.001 -17.367 9.072 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.022 -18.595 6.636 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.321 -16.954 8.799 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.095 -18.011 7.636 1.00 0.00 H new ATOM 383 N LYS A 25 -10.390 -16.531 5.176 1.00 0.00 N ATOM 384 CA LYS A 25 -10.199 -15.418 4.237 1.00 0.00 C ATOM 385 C LYS A 25 -10.829 -14.108 4.705 1.00 0.00 C ATOM 386 O LYS A 25 -10.250 -13.043 4.484 1.00 0.00 O ATOM 387 CB LYS A 25 -10.647 -15.801 2.820 1.00 0.00 C ATOM 388 CG LYS A 25 -12.151 -16.100 2.709 1.00 0.00 C ATOM 389 CD LYS A 25 -12.577 -16.488 1.287 1.00 0.00 C ATOM 390 CE LYS A 25 -11.910 -17.793 0.825 1.00 0.00 C ATOM 391 NZ LYS A 25 -12.361 -18.207 -0.527 1.00 0.00 N ATOM 0 H LYS A 25 -10.844 -17.351 4.772 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.126 -15.226 4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.395 -14.990 2.137 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.086 -16.677 2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.407 -16.909 3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.715 -15.223 3.026 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.660 -16.602 1.251 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.318 -15.684 0.598 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.828 -17.664 0.821 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.134 -18.586 1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.885 -19.092 -0.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.390 -18.357 -0.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.125 -17.463 -1.215 1.00 0.00 H new ATOM 405 N GLU A 26 -11.982 -14.174 5.369 1.00 0.00 N ATOM 406 CA GLU A 26 -12.674 -12.998 5.860 1.00 0.00 C ATOM 407 C GLU A 26 -11.841 -12.353 6.962 1.00 0.00 C ATOM 408 O GLU A 26 -11.703 -11.135 6.994 1.00 0.00 O ATOM 409 CB GLU A 26 -14.078 -13.349 6.384 1.00 0.00 C ATOM 410 CG GLU A 26 -14.964 -14.108 5.377 1.00 0.00 C ATOM 411 CD GLU A 26 -14.927 -15.643 5.547 1.00 0.00 C ATOM 412 OE1 GLU A 26 -13.840 -16.224 5.769 1.00 0.00 O ATOM 413 OE2 GLU A 26 -16.001 -16.281 5.446 1.00 0.00 O ATOM 0 H GLU A 26 -12.459 -15.051 5.579 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.801 -12.297 5.035 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.975 -13.953 7.286 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.585 -12.428 6.673 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.993 -13.765 5.482 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.646 -13.856 4.365 1.00 0.00 H new ATOM 420 N GLU A 27 -11.237 -13.156 7.841 1.00 0.00 N ATOM 421 CA GLU A 27 -10.410 -12.652 8.925 1.00 0.00 C ATOM 422 C GLU A 27 -9.125 -12.068 8.366 1.00 0.00 C ATOM 423 O GLU A 27 -8.690 -11.017 8.828 1.00 0.00 O ATOM 424 CB GLU A 27 -10.002 -13.773 9.875 1.00 0.00 C ATOM 425 CG GLU A 27 -11.158 -14.594 10.437 1.00 0.00 C ATOM 426 CD GLU A 27 -10.602 -15.762 11.253 1.00 0.00 C ATOM 427 OE1 GLU A 27 -9.535 -16.321 10.894 1.00 0.00 O ATOM 428 OE2 GLU A 27 -11.212 -16.135 12.281 1.00 0.00 O ATOM 0 H GLU A 27 -11.311 -14.173 7.816 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.997 -11.901 9.454 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.321 -14.443 9.351 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.446 -13.340 10.706 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.792 -13.967 11.064 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.782 -14.968 9.625 1.00 0.00 H new ATOM 435 N ARG A 28 -8.505 -12.741 7.386 1.00 0.00 N ATOM 436 CA ARG A 28 -7.289 -12.220 6.758 1.00 0.00 C ATOM 437 C ARG A 28 -7.577 -10.831 6.187 1.00 0.00 C ATOM 438 O ARG A 28 -6.845 -9.886 6.486 1.00 0.00 O ATOM 439 CB ARG A 28 -6.778 -13.198 5.683 1.00 0.00 C ATOM 440 CG ARG A 28 -6.059 -14.428 6.265 1.00 0.00 C ATOM 441 CD ARG A 28 -4.606 -14.096 6.640 1.00 0.00 C ATOM 442 NE ARG A 28 -4.034 -15.088 7.563 1.00 0.00 N ATOM 443 CZ ARG A 28 -3.227 -16.120 7.291 1.00 0.00 C ATOM 444 NH1 ARG A 28 -2.860 -16.422 6.050 1.00 0.00 N ATOM 445 NH2 ARG A 28 -2.809 -16.862 8.309 1.00 0.00 N ATOM 0 H ARG A 28 -8.823 -13.637 7.016 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.496 -12.125 7.500 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.620 -13.532 5.077 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.096 -12.670 5.017 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.593 -14.781 7.147 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.073 -15.239 5.537 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.000 -14.051 5.735 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.567 -13.108 7.100 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.287 -14.974 8.544 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.195 -15.859 5.268 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.243 -17.216 5.880 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.104 -16.637 9.259 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.193 -17.657 8.141 1.00 0.00 H new ATOM 459 N ALA A 29 -8.668 -10.693 5.433 1.00 0.00 N ATOM 460 CA ALA A 29 -9.067 -9.421 4.860 1.00 0.00 C ATOM 461 C ALA A 29 -9.372 -8.382 5.942 1.00 0.00 C ATOM 462 O ALA A 29 -8.896 -7.251 5.850 1.00 0.00 O ATOM 463 CB ALA A 29 -10.264 -9.653 3.938 1.00 0.00 C ATOM 0 H ALA A 29 -9.296 -11.464 5.206 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.241 -9.013 4.278 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.575 -8.705 3.500 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.983 -10.345 3.144 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.089 -10.075 4.512 1.00 0.00 H new ATOM 469 N MET A 30 -10.146 -8.739 6.971 1.00 0.00 N ATOM 470 CA MET A 30 -10.561 -7.786 7.997 1.00 0.00 C ATOM 471 C MET A 30 -9.409 -7.366 8.908 1.00 0.00 C ATOM 472 O MET A 30 -9.351 -6.198 9.291 1.00 0.00 O ATOM 473 CB MET A 30 -11.743 -8.335 8.807 1.00 0.00 C ATOM 474 CG MET A 30 -13.049 -8.372 7.999 1.00 0.00 C ATOM 475 SD MET A 30 -13.621 -6.781 7.333 1.00 0.00 S ATOM 476 CE MET A 30 -12.979 -6.850 5.633 1.00 0.00 C ATOM 0 H MET A 30 -10.498 -9.686 7.113 1.00 0.00 H new ATOM 0 HA MET A 30 -10.890 -6.884 7.480 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.505 -9.341 9.152 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.887 -7.719 9.695 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.919 -9.065 7.168 1.00 0.00 H new ATOM 0 HG3 MET A 30 -13.835 -8.780 8.635 1.00 0.00 H new ATOM 0 HE1 MET A 30 -13.720 -6.440 4.947 1.00 0.00 H new ATOM 0 HE2 MET A 30 -12.061 -6.266 5.567 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.770 -7.886 5.365 1.00 0.00 H new ATOM 486 N GLY A 31 -8.473 -8.264 9.223 1.00 0.00 N ATOM 487 CA GLY A 31 -7.293 -7.936 10.010 1.00 0.00 C ATOM 488 C GLY A 31 -6.499 -6.836 9.315 1.00 0.00 C ATOM 489 O GLY A 31 -6.194 -5.810 9.929 1.00 0.00 O ATOM 0 H GLY A 31 -8.517 -9.242 8.936 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.589 -7.609 11.007 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.671 -8.822 10.136 1.00 0.00 H new ATOM 493 N TRP A 32 -6.255 -7.006 8.009 1.00 0.00 N ATOM 494 CA TRP A 32 -5.667 -5.957 7.192 1.00 0.00 C ATOM 495 C TRP A 32 -6.525 -4.694 7.212 1.00 0.00 C ATOM 496 O TRP A 32 -5.990 -3.626 7.497 1.00 0.00 O ATOM 497 CB TRP A 32 -5.433 -6.454 5.762 1.00 0.00 C ATOM 498 CG TRP A 32 -4.128 -7.159 5.592 1.00 0.00 C ATOM 499 CD1 TRP A 32 -3.929 -8.492 5.548 1.00 0.00 C ATOM 500 CD2 TRP A 32 -2.806 -6.560 5.476 1.00 0.00 C ATOM 501 NE1 TRP A 32 -2.587 -8.758 5.371 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.840 -7.599 5.365 1.00 0.00 C ATOM 503 CE3 TRP A 32 -2.331 -5.234 5.466 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -0.469 -7.326 5.261 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -0.960 -4.948 5.342 1.00 0.00 C ATOM 506 CH2 TRP A 32 -0.029 -5.994 5.237 1.00 0.00 C ATOM 0 H TRP A 32 -6.460 -7.867 7.502 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.698 -5.696 7.619 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.242 -7.128 5.481 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.473 -5.606 5.078 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.704 -9.239 5.638 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.197 -9.694 5.259 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -3.035 -4.420 5.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.244 -8.135 5.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.622 -3.922 5.327 1.00 0.00 H new ATOM 0 HH2 TRP A 32 1.024 -5.774 5.138 1.00 0.00 H new ATOM 517 N TYR A 33 -7.830 -4.806 6.948 1.00 0.00 N ATOM 518 CA TYR A 33 -8.715 -3.652 6.813 1.00 0.00 C ATOM 519 C TYR A 33 -8.671 -2.751 8.048 1.00 0.00 C ATOM 520 O TYR A 33 -8.399 -1.556 7.923 1.00 0.00 O ATOM 521 CB TYR A 33 -10.155 -4.107 6.523 1.00 0.00 C ATOM 522 CG TYR A 33 -11.152 -2.965 6.480 1.00 0.00 C ATOM 523 CD1 TYR A 33 -11.356 -2.239 5.293 1.00 0.00 C ATOM 524 CD2 TYR A 33 -11.825 -2.582 7.656 1.00 0.00 C ATOM 525 CE1 TYR A 33 -12.217 -1.127 5.285 1.00 0.00 C ATOM 526 CE2 TYR A 33 -12.660 -1.454 7.665 1.00 0.00 C ATOM 527 CZ TYR A 33 -12.866 -0.720 6.474 1.00 0.00 C ATOM 528 OH TYR A 33 -13.674 0.378 6.467 1.00 0.00 O ATOM 0 H TYR A 33 -8.301 -5.702 6.822 1.00 0.00 H new ATOM 0 HA TYR A 33 -8.357 -3.062 5.969 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -10.176 -4.634 5.569 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.464 -4.820 7.288 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.851 -2.536 4.386 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.698 -3.161 8.559 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.383 -0.582 4.368 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -13.144 -1.147 8.580 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.875 0.631 5.542 1.00 0.00 H new ATOM 538 N TYR A 34 -8.930 -3.301 9.238 1.00 0.00 N ATOM 539 CA TYR A 34 -9.072 -2.477 10.432 1.00 0.00 C ATOM 540 C TYR A 34 -7.723 -1.917 10.879 1.00 0.00 C ATOM 541 O TYR A 34 -7.674 -0.787 11.365 1.00 0.00 O ATOM 542 CB TYR A 34 -9.771 -3.258 11.552 1.00 0.00 C ATOM 543 CG TYR A 34 -11.250 -3.493 11.287 1.00 0.00 C ATOM 544 CD1 TYR A 34 -12.145 -2.404 11.299 1.00 0.00 C ATOM 545 CD2 TYR A 34 -11.732 -4.785 11.004 1.00 0.00 C ATOM 546 CE1 TYR A 34 -13.512 -2.603 11.034 1.00 0.00 C ATOM 547 CE2 TYR A 34 -13.096 -4.991 10.727 1.00 0.00 C ATOM 548 CZ TYR A 34 -13.994 -3.900 10.740 1.00 0.00 C ATOM 549 OH TYR A 34 -15.314 -4.110 10.472 1.00 0.00 O ATOM 0 H TYR A 34 -9.044 -4.302 9.395 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.705 -1.624 10.187 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.274 -4.220 11.680 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.659 -2.714 12.490 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.779 -1.411 11.513 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.051 -5.623 10.999 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.194 -1.766 11.055 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.457 -5.984 10.504 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.464 -5.061 10.291 1.00 0.00 H new ATOM 559 N TYR A 35 -6.624 -2.653 10.687 1.00 0.00 N ATOM 560 CA TYR A 35 -5.293 -2.137 10.979 1.00 0.00 C ATOM 561 C TYR A 35 -4.931 -1.008 10.012 1.00 0.00 C ATOM 562 O TYR A 35 -4.361 -0.002 10.439 1.00 0.00 O ATOM 563 CB TYR A 35 -4.291 -3.292 10.875 1.00 0.00 C ATOM 564 CG TYR A 35 -2.874 -2.939 11.277 1.00 0.00 C ATOM 565 CD1 TYR A 35 -1.959 -2.461 10.319 1.00 0.00 C ATOM 566 CD2 TYR A 35 -2.463 -3.121 12.611 1.00 0.00 C ATOM 567 CE1 TYR A 35 -0.630 -2.183 10.688 1.00 0.00 C ATOM 568 CE2 TYR A 35 -1.136 -2.850 12.984 1.00 0.00 C ATOM 569 CZ TYR A 35 -0.207 -2.393 12.021 1.00 0.00 C ATOM 570 OH TYR A 35 1.092 -2.172 12.362 1.00 0.00 O ATOM 0 H TYR A 35 -6.635 -3.608 10.330 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.267 -1.723 11.987 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.638 -4.114 11.502 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.283 -3.656 9.848 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.278 -2.307 9.299 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -3.170 -3.470 13.350 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.067 -1.809 9.953 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.825 -2.991 14.009 1.00 0.00 H new ATOM 0 HH TYR A 35 1.217 -2.362 13.315 1.00 0.00 H new ATOM 580 N LEU A 36 -5.272 -1.137 8.724 1.00 0.00 N ATOM 581 CA LEU A 36 -5.017 -0.104 7.738 1.00 0.00 C ATOM 582 C LEU A 36 -5.818 1.130 8.072 1.00 0.00 C ATOM 583 O LEU A 36 -5.185 2.179 8.152 1.00 0.00 O ATOM 584 CB LEU A 36 -5.317 -0.573 6.308 1.00 0.00 C ATOM 585 CG LEU A 36 -4.039 -0.895 5.518 1.00 0.00 C ATOM 586 CD1 LEU A 36 -3.047 -1.801 6.258 1.00 0.00 C ATOM 587 CD2 LEU A 36 -4.452 -1.549 4.197 1.00 0.00 C ATOM 0 H LEU A 36 -5.732 -1.965 8.345 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.953 0.131 7.774 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.951 -1.459 6.344 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.879 0.201 5.785 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.510 0.045 5.363 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.175 -1.977 5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.734 -1.318 7.184 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.526 -2.753 6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.562 -1.788 3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.008 -2.464 4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.081 -0.861 3.631 1.00 0.00 H new ATOM 599 N ASP A 37 -7.131 1.029 8.343 1.00 0.00 N ATOM 600 CA ASP A 37 -7.865 2.209 8.803 1.00 0.00 C ATOM 601 C ASP A 37 -7.133 2.777 9.969 1.00 0.00 C ATOM 602 O ASP A 37 -6.872 3.982 9.961 1.00 0.00 O ATOM 603 CB ASP A 37 -9.310 1.984 9.300 1.00 0.00 C ATOM 604 CG ASP A 37 -9.965 3.237 9.988 1.00 0.00 C ATOM 605 OD1 ASP A 37 -9.403 3.919 10.898 1.00 0.00 O ATOM 606 OD2 ASP A 37 -11.131 3.520 9.636 1.00 0.00 O ATOM 0 H ASP A 37 -7.684 0.176 8.255 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.929 2.846 7.921 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.929 1.684 8.454 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.313 1.154 10.007 1.00 0.00 H new ATOM 611 N ASP A 38 -6.780 1.954 10.965 1.00 0.00 N ATOM 612 CA ASP A 38 -6.322 2.609 12.156 1.00 0.00 C ATOM 613 C ASP A 38 -5.031 3.388 11.951 1.00 0.00 C ATOM 614 O ASP A 38 -4.900 4.487 12.495 1.00 0.00 O ATOM 615 CB ASP A 38 -6.390 1.824 13.455 1.00 0.00 C ATOM 616 CG ASP A 38 -6.493 2.881 14.593 1.00 0.00 C ATOM 617 OD1 ASP A 38 -7.053 3.995 14.365 1.00 0.00 O ATOM 618 OD2 ASP A 38 -6.026 2.598 15.719 1.00 0.00 O ATOM 0 H ASP A 38 -6.803 0.934 10.964 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.101 3.351 12.333 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.252 1.157 13.463 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.504 1.201 13.581 1.00 0.00 H new ATOM 623 N THR A 39 -4.189 2.912 11.040 1.00 0.00 N ATOM 624 CA THR A 39 -2.897 3.505 10.773 1.00 0.00 C ATOM 625 C THR A 39 -3.077 4.772 9.920 1.00 0.00 C ATOM 626 O THR A 39 -2.474 5.808 10.202 1.00 0.00 O ATOM 627 CB THR A 39 -2.037 2.440 10.076 1.00 0.00 C ATOM 628 OG1 THR A 39 -1.992 1.241 10.826 1.00 0.00 O ATOM 629 CG2 THR A 39 -0.609 2.943 9.924 1.00 0.00 C ATOM 0 H THR A 39 -4.393 2.095 10.464 1.00 0.00 H new ATOM 0 HA THR A 39 -2.396 3.816 11.690 1.00 0.00 H new ATOM 0 HB THR A 39 -2.489 2.246 9.103 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.762 0.681 10.594 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.006 2.182 9.429 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.606 3.854 9.326 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.191 3.154 10.908 1.00 0.00 H new ATOM 637 N LEU A 40 -3.922 4.697 8.890 1.00 0.00 N ATOM 638 CA LEU A 40 -4.318 5.833 8.071 1.00 0.00 C ATOM 639 C LEU A 40 -5.028 6.880 8.944 1.00 0.00 C ATOM 640 O LEU A 40 -5.813 6.556 9.849 1.00 0.00 O ATOM 641 CB LEU A 40 -5.266 5.376 6.943 1.00 0.00 C ATOM 642 CG LEU A 40 -4.707 4.320 5.962 1.00 0.00 C ATOM 643 CD1 LEU A 40 -5.857 3.651 5.198 1.00 0.00 C ATOM 644 CD2 LEU A 40 -3.726 4.884 4.935 1.00 0.00 C ATOM 0 H LEU A 40 -4.358 3.822 8.599 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.425 6.272 7.627 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.171 4.974 7.399 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.562 6.254 6.368 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.164 3.607 6.582 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.453 2.909 4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.528 3.163 5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.408 4.405 4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.379 4.081 4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.224 5.647 4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.874 5.327 5.451 1.00 0.00 H new ATOM 656 N GLU A 41 -4.825 8.150 8.600 1.00 0.00 N ATOM 657 CA GLU A 41 -5.503 9.303 9.186 1.00 0.00 C ATOM 658 C GLU A 41 -6.109 10.131 8.042 1.00 0.00 C ATOM 659 O GLU A 41 -5.869 11.333 7.908 1.00 0.00 O ATOM 660 CB GLU A 41 -4.531 10.081 10.094 1.00 0.00 C ATOM 661 CG GLU A 41 -4.154 9.302 11.365 1.00 0.00 C ATOM 662 CD GLU A 41 -5.326 9.187 12.362 1.00 0.00 C ATOM 663 OE1 GLU A 41 -5.523 10.118 13.177 1.00 0.00 O ATOM 664 OE2 GLU A 41 -6.057 8.167 12.359 1.00 0.00 O ATOM 0 H GLU A 41 -4.157 8.414 7.876 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.324 9.005 9.838 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.625 10.315 9.534 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.985 11.031 10.376 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.819 8.303 11.088 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.314 9.796 11.853 1.00 0.00 H new ATOM 671 N PHE A 42 -6.859 9.446 7.169 1.00 0.00 N ATOM 672 CA PHE A 42 -7.618 10.050 6.075 1.00 0.00 C ATOM 673 C PHE A 42 -8.638 11.090 6.599 1.00 0.00 C ATOM 674 O PHE A 42 -9.025 11.009 7.771 1.00 0.00 O ATOM 675 CB PHE A 42 -8.264 8.927 5.238 1.00 0.00 C ATOM 676 CG PHE A 42 -9.126 7.917 5.977 1.00 0.00 C ATOM 677 CD1 PHE A 42 -10.397 8.285 6.461 1.00 0.00 C ATOM 678 CD2 PHE A 42 -8.709 6.574 6.073 1.00 0.00 C ATOM 679 CE1 PHE A 42 -11.234 7.322 7.053 1.00 0.00 C ATOM 680 CE2 PHE A 42 -9.544 5.613 6.671 1.00 0.00 C ATOM 681 CZ PHE A 42 -10.808 5.987 7.156 1.00 0.00 C ATOM 0 H PHE A 42 -6.955 8.431 7.208 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.949 10.612 5.423 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.876 9.392 4.465 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.467 8.383 4.730 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.729 9.309 6.377 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.744 6.282 5.686 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -12.205 7.609 7.429 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.214 4.588 6.757 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.453 5.248 7.608 1.00 0.00 H new ATOM 691 N PRO A 43 -9.125 12.042 5.774 1.00 0.00 N ATOM 692 CA PRO A 43 -8.814 12.235 4.356 1.00 0.00 C ATOM 693 C PRO A 43 -7.359 12.662 4.125 1.00 0.00 C ATOM 694 O PRO A 43 -6.734 13.267 4.999 1.00 0.00 O ATOM 695 CB PRO A 43 -9.796 13.302 3.857 1.00 0.00 C ATOM 696 CG PRO A 43 -10.113 14.113 5.110 1.00 0.00 C ATOM 697 CD PRO A 43 -10.076 13.055 6.211 1.00 0.00 C ATOM 0 HA PRO A 43 -8.921 11.298 3.809 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.352 13.923 3.079 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.694 12.853 3.432 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.378 14.900 5.280 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.088 14.596 5.044 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -9.768 13.493 7.161 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.063 12.620 6.365 1.00 0.00 H new ATOM 705 N PHE A 44 -6.824 12.343 2.945 1.00 0.00 N ATOM 706 CA PHE A 44 -5.478 12.724 2.518 1.00 0.00 C ATOM 707 C PHE A 44 -5.453 12.871 0.994 1.00 0.00 C ATOM 708 O PHE A 44 -6.397 12.468 0.318 1.00 0.00 O ATOM 709 CB PHE A 44 -4.431 11.708 3.013 1.00 0.00 C ATOM 710 CG PHE A 44 -4.490 10.311 2.411 1.00 0.00 C ATOM 711 CD1 PHE A 44 -3.815 10.034 1.210 1.00 0.00 C ATOM 712 CD2 PHE A 44 -5.166 9.269 3.069 1.00 0.00 C ATOM 713 CE1 PHE A 44 -3.853 8.753 0.639 1.00 0.00 C ATOM 714 CE2 PHE A 44 -5.201 7.978 2.510 1.00 0.00 C ATOM 715 CZ PHE A 44 -4.551 7.720 1.289 1.00 0.00 C ATOM 0 H PHE A 44 -7.327 11.800 2.244 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.217 13.684 2.963 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.440 12.120 2.819 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.532 11.616 4.094 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.259 10.819 0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.662 9.460 4.009 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.348 8.561 -0.296 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.728 7.184 3.019 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.588 6.733 0.853 1.00 0.00 H new ATOM 725 N MET A 45 -4.391 13.448 0.434 1.00 0.00 N ATOM 726 CA MET A 45 -4.241 13.644 -1.006 1.00 0.00 C ATOM 727 C MET A 45 -3.311 12.565 -1.563 1.00 0.00 C ATOM 728 O MET A 45 -2.320 12.220 -0.918 1.00 0.00 O ATOM 729 CB MET A 45 -3.647 15.045 -1.213 1.00 0.00 C ATOM 730 CG MET A 45 -3.395 15.397 -2.679 1.00 0.00 C ATOM 731 SD MET A 45 -2.516 16.966 -2.878 1.00 0.00 S ATOM 732 CE MET A 45 -2.321 16.915 -4.672 1.00 0.00 C ATOM 0 H MET A 45 -3.600 13.797 0.976 1.00 0.00 H new ATOM 0 HA MET A 45 -5.195 13.566 -1.527 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.323 15.784 -0.783 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.707 15.116 -0.665 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.817 14.599 -3.146 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.348 15.450 -3.205 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.565 17.639 -4.977 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.010 15.915 -4.976 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.270 17.160 -5.148 1.00 0.00 H new ATOM 742 N GLY A 46 -3.565 12.062 -2.771 1.00 0.00 N ATOM 743 CA GLY A 46 -2.684 11.107 -3.411 1.00 0.00 C ATOM 744 C GLY A 46 -2.769 11.196 -4.923 1.00 0.00 C ATOM 745 O GLY A 46 -3.506 12.007 -5.485 1.00 0.00 O ATOM 0 H GLY A 46 -4.385 12.309 -3.325 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.657 11.288 -3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.945 10.098 -3.090 1.00 0.00 H new ATOM 749 N LYS A 47 -1.976 10.365 -5.586 1.00 0.00 N ATOM 750 CA LYS A 47 -2.067 10.137 -7.017 1.00 0.00 C ATOM 751 C LYS A 47 -2.727 8.775 -7.194 1.00 0.00 C ATOM 752 O LYS A 47 -2.260 7.784 -6.627 1.00 0.00 O ATOM 753 CB LYS A 47 -0.660 10.145 -7.650 1.00 0.00 C ATOM 754 CG LYS A 47 -0.697 10.358 -9.172 1.00 0.00 C ATOM 755 CD LYS A 47 -0.984 11.814 -9.582 1.00 0.00 C ATOM 756 CE LYS A 47 0.205 12.749 -9.311 1.00 0.00 C ATOM 757 NZ LYS A 47 0.008 14.090 -9.917 1.00 0.00 N ATOM 0 H LYS A 47 -1.240 9.822 -5.134 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.646 10.919 -7.508 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.064 10.934 -7.191 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.162 9.200 -7.431 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.259 10.051 -9.597 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.460 9.710 -9.603 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.233 11.847 -10.643 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.857 12.175 -9.039 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.345 12.854 -8.235 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.116 12.302 -9.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.633 14.777 -9.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.235 14.049 -10.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.982 14.384 -9.796 1.00 0.00 H new ATOM 771 N TRP A 48 -3.815 8.718 -7.955 1.00 0.00 N ATOM 772 CA TRP A 48 -4.388 7.458 -8.387 1.00 0.00 C ATOM 773 C TRP A 48 -3.529 7.073 -9.584 1.00 0.00 C ATOM 774 O TRP A 48 -3.560 7.743 -10.620 1.00 0.00 O ATOM 775 CB TRP A 48 -5.877 7.613 -8.743 1.00 0.00 C ATOM 776 CG TRP A 48 -6.626 6.357 -9.096 1.00 0.00 C ATOM 777 CD1 TRP A 48 -6.102 5.115 -9.202 1.00 0.00 C ATOM 778 CD2 TRP A 48 -8.052 6.191 -9.379 1.00 0.00 C ATOM 779 NE1 TRP A 48 -7.075 4.211 -9.556 1.00 0.00 N ATOM 780 CE2 TRP A 48 -8.302 4.819 -9.695 1.00 0.00 C ATOM 781 CE3 TRP A 48 -9.166 7.060 -9.388 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -9.581 4.343 -10.024 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -10.457 6.591 -9.701 1.00 0.00 C ATOM 784 CH2 TRP A 48 -10.665 5.238 -10.025 1.00 0.00 C ATOM 0 H TRP A 48 -4.318 9.541 -8.286 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.379 6.689 -7.615 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.381 8.082 -7.898 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.955 8.302 -9.584 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.064 4.868 -9.032 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.909 3.215 -9.698 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -9.025 8.104 -9.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.730 3.303 -10.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -11.293 7.275 -9.692 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.656 4.887 -10.274 1.00 0.00 H new ATOM 795 N LYS A 49 -2.710 6.037 -9.423 1.00 0.00 N ATOM 796 CA LYS A 49 -1.830 5.506 -10.459 1.00 0.00 C ATOM 797 C LYS A 49 -2.651 4.470 -11.229 1.00 0.00 C ATOM 798 O LYS A 49 -2.369 3.273 -11.180 1.00 0.00 O ATOM 799 CB LYS A 49 -0.571 4.929 -9.787 1.00 0.00 C ATOM 800 CG LYS A 49 0.276 6.042 -9.148 1.00 0.00 C ATOM 801 CD LYS A 49 1.417 5.493 -8.288 1.00 0.00 C ATOM 802 CE LYS A 49 2.574 4.895 -9.096 1.00 0.00 C ATOM 803 NZ LYS A 49 3.630 4.359 -8.201 1.00 0.00 N ATOM 0 H LYS A 49 -2.639 5.529 -8.541 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.478 6.260 -11.163 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.861 4.206 -9.025 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.025 4.392 -10.525 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.690 6.675 -9.933 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.365 6.674 -8.534 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.803 6.295 -7.659 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.020 4.728 -7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.199 4.099 -9.739 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.999 5.658 -9.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.494 4.180 -8.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.834 5.051 -7.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.303 3.470 -7.771 1.00 0.00 H new ATOM 817 N LYS A 50 -3.742 4.927 -11.847 1.00 0.00 N ATOM 818 CA LYS A 50 -4.757 4.071 -12.438 1.00 0.00 C ATOM 819 C LYS A 50 -4.143 3.189 -13.518 1.00 0.00 C ATOM 820 O LYS A 50 -3.570 3.700 -14.479 1.00 0.00 O ATOM 821 CB LYS A 50 -5.935 4.917 -12.945 1.00 0.00 C ATOM 822 CG LYS A 50 -7.152 4.021 -13.216 1.00 0.00 C ATOM 823 CD LYS A 50 -8.410 4.839 -13.540 1.00 0.00 C ATOM 824 CE LYS A 50 -9.664 3.951 -13.604 1.00 0.00 C ATOM 825 NZ LYS A 50 -9.707 3.074 -14.802 1.00 0.00 N ATOM 0 H LYS A 50 -3.943 5.922 -11.949 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.158 3.399 -11.680 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.191 5.677 -12.207 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.650 5.441 -13.857 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.931 3.352 -14.048 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.342 3.395 -12.344 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.548 5.610 -12.782 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.277 5.350 -14.494 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.707 3.332 -12.708 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.550 4.586 -13.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.576 2.503 -14.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.696 3.660 -15.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.879 2.444 -14.801 1.00 0.00 H new ATOM 976 N GLU A 59 -1.630 5.395 -15.610 1.00 0.00 N ATOM 977 CA GLU A 59 -2.056 6.769 -15.815 1.00 0.00 C ATOM 978 C GLU A 59 -2.031 7.400 -14.420 1.00 0.00 C ATOM 979 O GLU A 59 -2.222 6.699 -13.426 1.00 0.00 O ATOM 980 CB GLU A 59 -3.471 6.774 -16.420 1.00 0.00 C ATOM 981 CG GLU A 59 -3.961 8.181 -16.782 1.00 0.00 C ATOM 982 CD GLU A 59 -5.323 8.136 -17.498 1.00 0.00 C ATOM 983 OE1 GLU A 59 -6.373 8.098 -16.818 1.00 0.00 O ATOM 984 OE2 GLU A 59 -5.356 8.168 -18.750 1.00 0.00 O ATOM 0 HA GLU A 59 -1.418 7.323 -16.504 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.480 6.150 -17.314 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.166 6.324 -15.710 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.044 8.783 -15.877 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.227 8.669 -17.423 1.00 0.00 H new ATOM 991 N GLU A 60 -1.796 8.705 -14.314 1.00 0.00 N ATOM 992 CA GLU A 60 -1.588 9.366 -13.032 1.00 0.00 C ATOM 993 C GLU A 60 -2.577 10.518 -12.918 1.00 0.00 C ATOM 994 O GLU A 60 -2.501 11.488 -13.678 1.00 0.00 O ATOM 995 CB GLU A 60 -0.127 9.827 -12.920 1.00 0.00 C ATOM 996 CG GLU A 60 0.800 8.623 -12.729 1.00 0.00 C ATOM 997 CD GLU A 60 2.268 9.054 -12.571 1.00 0.00 C ATOM 998 OE1 GLU A 60 2.721 9.291 -11.429 1.00 0.00 O ATOM 999 OE2 GLU A 60 2.991 9.150 -13.589 1.00 0.00 O ATOM 0 H GLU A 60 -1.745 9.333 -15.116 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.768 8.682 -12.202 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.158 10.374 -13.818 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.019 10.514 -12.080 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.489 8.061 -11.849 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.707 7.953 -13.584 1.00 0.00 H new ATOM 1006 N LYS A 61 -3.513 10.401 -11.972 1.00 0.00 N ATOM 1007 CA LYS A 61 -4.579 11.381 -11.759 1.00 0.00 C ATOM 1008 C LYS A 61 -4.508 11.850 -10.314 1.00 0.00 C ATOM 1009 O LYS A 61 -4.477 11.022 -9.406 1.00 0.00 O ATOM 1010 CB LYS A 61 -5.926 10.725 -12.107 1.00 0.00 C ATOM 1011 CG LYS A 61 -7.112 11.695 -11.967 1.00 0.00 C ATOM 1012 CD LYS A 61 -8.416 11.128 -12.553 1.00 0.00 C ATOM 1013 CE LYS A 61 -8.897 9.862 -11.824 1.00 0.00 C ATOM 1014 NZ LYS A 61 -10.142 9.312 -12.424 1.00 0.00 N ATOM 0 H LYS A 61 -3.551 9.613 -11.325 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.467 12.255 -12.401 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.889 10.348 -13.129 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.086 9.866 -11.456 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.263 11.927 -10.913 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.871 12.632 -12.469 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.194 11.890 -12.500 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.265 10.899 -13.608 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.114 9.105 -11.857 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.072 10.093 -10.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.431 8.460 -11.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.898 10.024 -12.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.969 9.067 -13.420 1.00 0.00 H new ATOM 1028 N THR A 62 -4.424 13.155 -10.086 1.00 0.00 N ATOM 1029 CA THR A 62 -4.309 13.710 -8.746 1.00 0.00 C ATOM 1030 C THR A 62 -5.681 13.669 -8.071 1.00 0.00 C ATOM 1031 O THR A 62 -6.679 14.113 -8.647 1.00 0.00 O ATOM 1032 CB THR A 62 -3.734 15.126 -8.844 1.00 0.00 C ATOM 1033 OG1 THR A 62 -2.642 15.141 -9.750 1.00 0.00 O ATOM 1034 CG2 THR A 62 -3.203 15.565 -7.486 1.00 0.00 C ATOM 0 H THR A 62 -4.434 13.857 -10.826 1.00 0.00 H new ATOM 0 HA THR A 62 -3.628 13.124 -8.129 1.00 0.00 H new ATOM 0 HB THR A 62 -4.526 15.794 -9.182 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.088 15.931 -9.581 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.796 16.573 -7.563 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.014 15.556 -6.758 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.419 14.880 -7.163 1.00 0.00 H new ATOM 1042 N VAL A 63 -5.741 13.148 -6.846 1.00 0.00 N ATOM 1043 CA VAL A 63 -6.991 12.842 -6.181 1.00 0.00 C ATOM 1044 C VAL A 63 -6.917 13.143 -4.685 1.00 0.00 C ATOM 1045 O VAL A 63 -5.846 13.198 -4.080 1.00 0.00 O ATOM 1046 CB VAL A 63 -7.352 11.357 -6.390 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -7.717 10.998 -7.838 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -6.246 10.395 -5.924 1.00 0.00 C ATOM 0 H VAL A 63 -4.915 12.928 -6.290 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.763 13.474 -6.619 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.237 11.229 -5.766 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.958 9.937 -7.900 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.580 11.585 -8.152 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.872 11.217 -8.491 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.561 9.366 -6.098 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.332 10.594 -6.483 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.060 10.542 -4.860 1.00 0.00 H new ATOM 1058 N GLU A 64 -8.088 13.304 -4.088 1.00 0.00 N ATOM 1059 CA GLU A 64 -8.290 13.370 -2.653 1.00 0.00 C ATOM 1060 C GLU A 64 -8.916 12.027 -2.276 1.00 0.00 C ATOM 1061 O GLU A 64 -9.917 11.624 -2.864 1.00 0.00 O ATOM 1062 CB GLU A 64 -9.188 14.567 -2.302 1.00 0.00 C ATOM 1063 CG GLU A 64 -9.373 14.697 -0.784 1.00 0.00 C ATOM 1064 CD GLU A 64 -10.065 16.020 -0.410 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -11.301 16.138 -0.565 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -9.377 16.956 0.056 1.00 0.00 O ATOM 0 H GLU A 64 -8.957 13.396 -4.614 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.366 13.527 -2.097 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.748 15.483 -2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.160 14.448 -2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.965 13.859 -0.416 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.402 14.642 -0.292 1.00 0.00 H new ATOM 1073 N VAL A 65 -8.310 11.315 -1.334 1.00 0.00 N ATOM 1074 CA VAL A 65 -8.821 10.084 -0.754 1.00 0.00 C ATOM 1075 C VAL A 65 -9.652 10.510 0.448 1.00 0.00 C ATOM 1076 O VAL A 65 -9.118 11.073 1.405 1.00 0.00 O ATOM 1077 CB VAL A 65 -7.650 9.159 -0.354 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -8.144 7.943 0.447 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -6.905 8.683 -1.612 1.00 0.00 C ATOM 0 H VAL A 65 -7.412 11.593 -0.938 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.430 9.514 -1.456 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.972 9.731 0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.295 7.313 0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.641 8.283 1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.846 7.370 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.081 8.031 -1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.592 8.134 -2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.513 9.546 -2.151 1.00 0.00 H new ATOM 1089 N LEU A 66 -10.962 10.272 0.387 1.00 0.00 N ATOM 1090 CA LEU A 66 -11.877 10.639 1.459 1.00 0.00 C ATOM 1091 C LEU A 66 -11.702 9.685 2.638 1.00 0.00 C ATOM 1092 O LEU A 66 -11.756 10.115 3.790 1.00 0.00 O ATOM 1093 CB LEU A 66 -13.341 10.614 0.978 1.00 0.00 C ATOM 1094 CG LEU A 66 -13.748 11.660 -0.081 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -13.303 13.079 0.293 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -13.238 11.322 -1.486 1.00 0.00 C ATOM 0 H LEU A 66 -11.415 9.820 -0.407 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.641 11.656 1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.548 9.623 0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.986 10.744 1.847 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.837 11.627 -0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.615 13.775 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.760 13.366 1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.218 13.106 0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.557 12.095 -2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.149 11.270 -1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -13.644 10.360 -1.799 1.00 0.00 H new ATOM 1108 N GLY A 67 -11.469 8.401 2.359 1.00 0.00 N ATOM 1109 CA GLY A 67 -11.248 7.375 3.349 1.00 0.00 C ATOM 1110 C GLY A 67 -11.351 6.014 2.687 1.00 0.00 C ATOM 1111 O GLY A 67 -11.572 5.913 1.478 1.00 0.00 O ATOM 0 H GLY A 67 -11.430 8.047 1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.265 7.498 3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -11.983 7.460 4.149 1.00 0.00 H new ATOM 1115 N MET A 68 -11.172 4.963 3.477 1.00 0.00 N ATOM 1116 CA MET A 68 -11.395 3.599 3.012 1.00 0.00 C ATOM 1117 C MET A 68 -12.865 3.415 2.630 1.00 0.00 C ATOM 1118 O MET A 68 -13.761 4.006 3.240 1.00 0.00 O ATOM 1119 CB MET A 68 -10.954 2.571 4.060 1.00 0.00 C ATOM 1120 CG MET A 68 -9.429 2.585 4.229 1.00 0.00 C ATOM 1121 SD MET A 68 -8.793 1.309 5.344 1.00 0.00 S ATOM 1122 CE MET A 68 -8.843 -0.130 4.244 1.00 0.00 C ATOM 0 H MET A 68 -10.871 5.030 4.449 1.00 0.00 H new ATOM 0 HA MET A 68 -10.783 3.429 2.126 1.00 0.00 H new ATOM 0 HB2 MET A 68 -11.432 2.790 5.015 1.00 0.00 H new ATOM 0 HB3 MET A 68 -11.282 1.576 3.760 1.00 0.00 H new ATOM 0 HG2 MET A 68 -8.965 2.460 3.250 1.00 0.00 H new ATOM 0 HG3 MET A 68 -9.125 3.563 4.603 1.00 0.00 H new ATOM 0 HE1 MET A 68 -8.583 -1.027 4.806 1.00 0.00 H new ATOM 0 HE2 MET A 68 -9.846 -0.238 3.831 1.00 0.00 H new ATOM 0 HE3 MET A 68 -8.130 0.008 3.432 1.00 0.00 H new ATOM 1132 N ALA A 69 -13.100 2.583 1.614 1.00 0.00 N ATOM 1133 CA ALA A 69 -14.434 2.138 1.235 1.00 0.00 C ATOM 1134 C ALA A 69 -15.005 1.239 2.348 1.00 0.00 C ATOM 1135 O ALA A 69 -14.232 0.769 3.188 1.00 0.00 O ATOM 1136 CB ALA A 69 -14.335 1.375 -0.090 1.00 0.00 C ATOM 0 H ALA A 69 -12.359 2.198 1.028 1.00 0.00 H new ATOM 0 HA ALA A 69 -15.103 2.989 1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.326 1.034 -0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.930 2.033 -0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.678 0.514 0.034 1.00 0.00 H new ATOM 1142 N PRO A 70 -16.325 0.970 2.368 1.00 0.00 N ATOM 1143 CA PRO A 70 -16.926 0.035 3.310 1.00 0.00 C ATOM 1144 C PRO A 70 -16.192 -1.307 3.366 1.00 0.00 C ATOM 1145 O PRO A 70 -15.761 -1.850 2.342 1.00 0.00 O ATOM 1146 CB PRO A 70 -18.377 -0.142 2.857 1.00 0.00 C ATOM 1147 CG PRO A 70 -18.686 1.187 2.172 1.00 0.00 C ATOM 1148 CD PRO A 70 -17.353 1.552 1.518 1.00 0.00 C ATOM 0 HA PRO A 70 -16.863 0.428 4.325 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -18.487 -0.984 2.173 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -19.043 -0.327 3.700 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -19.483 1.086 1.435 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -19.006 1.945 2.887 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -17.293 1.156 0.504 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -17.235 2.633 1.446 1.00 0.00 H new ATOM 1156 N ASP A 71 -16.120 -1.874 4.570 1.00 0.00 N ATOM 1157 CA ASP A 71 -15.480 -3.162 4.825 1.00 0.00 C ATOM 1158 C ASP A 71 -16.112 -4.283 3.996 1.00 0.00 C ATOM 1159 O ASP A 71 -15.418 -5.222 3.618 1.00 0.00 O ATOM 1160 CB ASP A 71 -15.528 -3.519 6.318 1.00 0.00 C ATOM 1161 CG ASP A 71 -16.911 -4.024 6.772 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -17.809 -3.182 7.001 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -17.109 -5.250 6.920 1.00 0.00 O ATOM 0 H ASP A 71 -16.511 -1.444 5.408 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.437 -3.064 4.523 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.781 -4.285 6.527 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.257 -2.641 6.905 1.00 0.00 H new ATOM 1168 N ASP A 72 -17.398 -4.151 3.649 1.00 0.00 N ATOM 1169 CA ASP A 72 -18.153 -5.120 2.855 1.00 0.00 C ATOM 1170 C ASP A 72 -17.580 -5.311 1.445 1.00 0.00 C ATOM 1171 O ASP A 72 -17.774 -6.364 0.837 1.00 0.00 O ATOM 1172 CB ASP A 72 -19.615 -4.668 2.764 1.00 0.00 C ATOM 1173 CG ASP A 72 -20.468 -5.655 1.948 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -20.737 -6.776 2.436 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -20.926 -5.295 0.840 1.00 0.00 O ATOM 0 H ASP A 72 -17.956 -3.342 3.923 1.00 0.00 H new ATOM 0 HA ASP A 72 -18.079 -6.084 3.359 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -20.029 -4.573 3.768 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -19.662 -3.681 2.305 1.00 0.00 H new ATOM 1180 N GLU A 73 -16.846 -4.321 0.927 1.00 0.00 N ATOM 1181 CA GLU A 73 -16.183 -4.409 -0.373 1.00 0.00 C ATOM 1182 C GLU A 73 -14.719 -4.842 -0.217 1.00 0.00 C ATOM 1183 O GLU A 73 -14.097 -5.276 -1.187 1.00 0.00 O ATOM 1184 CB GLU A 73 -16.276 -3.059 -1.105 1.00 0.00 C ATOM 1185 CG GLU A 73 -17.728 -2.697 -1.453 1.00 0.00 C ATOM 1186 CD GLU A 73 -17.810 -1.468 -2.377 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -17.634 -1.617 -3.608 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -18.090 -0.351 -1.889 1.00 0.00 O ATOM 0 H GLU A 73 -16.696 -3.431 1.403 1.00 0.00 H new ATOM 0 HA GLU A 73 -16.692 -5.167 -0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.846 -2.276 -0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.683 -3.099 -2.018 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -18.208 -3.548 -1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -18.282 -2.499 -0.536 1.00 0.00 H new ATOM 1195 N CYS A 74 -14.163 -4.775 0.996 1.00 0.00 N ATOM 1196 CA CYS A 74 -12.738 -4.949 1.246 1.00 0.00 C ATOM 1197 C CYS A 74 -12.373 -6.400 1.607 1.00 0.00 C ATOM 1198 O CYS A 74 -11.424 -6.631 2.354 1.00 0.00 O ATOM 1199 CB CYS A 74 -12.279 -3.942 2.309 1.00 0.00 C ATOM 1200 SG CYS A 74 -12.546 -2.238 1.728 1.00 0.00 S ATOM 0 H CYS A 74 -14.703 -4.595 1.842 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.198 -4.745 0.322 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.828 -4.107 3.236 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -11.223 -4.095 2.532 1.00 0.00 H new ATOM 0 HG CYS A 74 -13.793 -1.912 1.897 1.00 0.00 H new ATOM 1206 N LEU A 75 -13.134 -7.388 1.120 1.00 0.00 N ATOM 1207 CA LEU A 75 -12.899 -8.812 1.400 1.00 0.00 C ATOM 1208 C LEU A 75 -11.816 -9.429 0.503 1.00 0.00 C ATOM 1209 O LEU A 75 -11.346 -10.531 0.789 1.00 0.00 O ATOM 1210 CB LEU A 75 -14.203 -9.616 1.212 1.00 0.00 C ATOM 1211 CG LEU A 75 -15.106 -9.748 2.452 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -14.447 -10.567 3.569 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -15.569 -8.399 3.005 1.00 0.00 C ATOM 0 H LEU A 75 -13.938 -7.221 0.515 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.554 -8.865 2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.782 -9.149 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -13.942 -10.618 0.871 1.00 0.00 H new ATOM 0 HG LEU A 75 -15.988 -10.284 2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.124 -10.631 4.421 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.228 -11.570 3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -13.520 -10.083 3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -16.202 -8.561 3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.701 -7.806 3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -16.135 -7.867 2.240 1.00 0.00 H new ATOM 1225 N LYS A 76 -11.443 -8.758 -0.592 1.00 0.00 N ATOM 1226 CA LYS A 76 -10.590 -9.327 -1.650 1.00 0.00 C ATOM 1227 C LYS A 76 -9.463 -8.397 -2.104 1.00 0.00 C ATOM 1228 O LYS A 76 -8.489 -8.868 -2.687 1.00 0.00 O ATOM 1229 CB LYS A 76 -11.454 -9.726 -2.863 1.00 0.00 C ATOM 1230 CG LYS A 76 -12.486 -10.820 -2.534 1.00 0.00 C ATOM 1231 CD LYS A 76 -13.222 -11.348 -3.776 1.00 0.00 C ATOM 1232 CE LYS A 76 -14.086 -10.267 -4.445 1.00 0.00 C ATOM 1233 NZ LYS A 76 -14.839 -10.795 -5.610 1.00 0.00 N ATOM 0 H LYS A 76 -11.726 -7.795 -0.774 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.110 -10.203 -1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.974 -8.844 -3.237 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.804 -10.077 -3.665 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.982 -11.649 -2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.216 -10.423 -1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.494 -11.724 -4.495 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.853 -12.190 -3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.786 -9.861 -3.715 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.449 -9.444 -4.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.408 -10.032 -6.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.171 -11.160 -6.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.467 -11.563 -5.298 1.00 0.00 H new ATOM 1247 N ASP A 77 -9.566 -7.102 -1.821 1.00 0.00 N ATOM 1248 CA ASP A 77 -8.534 -6.083 -2.015 1.00 0.00 C ATOM 1249 C ASP A 77 -8.899 -4.964 -1.033 1.00 0.00 C ATOM 1250 O ASP A 77 -9.992 -5.001 -0.457 1.00 0.00 O ATOM 1251 CB ASP A 77 -8.523 -5.581 -3.473 1.00 0.00 C ATOM 1252 CG ASP A 77 -7.162 -5.022 -3.925 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -6.562 -4.185 -3.214 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -6.704 -5.406 -5.026 1.00 0.00 O ATOM 0 H ASP A 77 -10.421 -6.711 -1.427 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.531 -6.468 -1.830 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.806 -6.401 -4.132 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.280 -4.805 -3.586 1.00 0.00 H new ATOM 1259 N MET A 78 -8.035 -3.977 -0.820 1.00 0.00 N ATOM 1260 CA MET A 78 -8.364 -2.811 -0.004 1.00 0.00 C ATOM 1261 C MET A 78 -8.829 -1.715 -0.953 1.00 0.00 C ATOM 1262 O MET A 78 -8.234 -1.532 -2.016 1.00 0.00 O ATOM 1263 CB MET A 78 -7.140 -2.355 0.802 1.00 0.00 C ATOM 1264 CG MET A 78 -6.760 -3.347 1.906 1.00 0.00 C ATOM 1265 SD MET A 78 -7.944 -3.519 3.269 1.00 0.00 S ATOM 1266 CE MET A 78 -8.644 -5.142 2.863 1.00 0.00 C ATOM 0 H MET A 78 -7.091 -3.961 -1.206 1.00 0.00 H new ATOM 0 HA MET A 78 -9.148 -3.050 0.714 1.00 0.00 H new ATOM 0 HB2 MET A 78 -6.293 -2.225 0.128 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.345 -1.382 1.248 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.616 -4.327 1.451 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.799 -3.045 2.323 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.513 -5.331 3.493 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.944 -5.157 1.815 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.895 -5.915 3.037 1.00 0.00 H new ATOM 1276 N TYR A 79 -9.854 -0.952 -0.571 1.00 0.00 N ATOM 1277 CA TYR A 79 -10.477 0.043 -1.442 1.00 0.00 C ATOM 1278 C TYR A 79 -10.648 1.365 -0.697 1.00 0.00 C ATOM 1279 O TYR A 79 -10.693 1.394 0.535 1.00 0.00 O ATOM 1280 CB TYR A 79 -11.832 -0.471 -1.951 1.00 0.00 C ATOM 1281 CG TYR A 79 -11.784 -1.640 -2.916 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -11.797 -2.960 -2.427 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.800 -1.410 -4.305 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.837 -4.047 -3.315 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -11.846 -2.493 -5.201 1.00 0.00 C ATOM 1286 CZ TYR A 79 -11.857 -3.819 -4.711 1.00 0.00 C ATOM 1287 OH TYR A 79 -11.883 -4.860 -5.590 1.00 0.00 O ATOM 0 H TYR A 79 -10.277 -1.008 0.356 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.828 0.214 -2.301 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -12.434 -0.762 -1.090 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -12.351 0.355 -2.438 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -11.776 -3.138 -1.362 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.777 -0.399 -4.684 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.852 -5.057 -2.932 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.873 -2.311 -6.265 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.895 -4.514 -6.507 1.00 0.00 H new ATOM 1297 N VAL A 80 -10.771 2.454 -1.453 1.00 0.00 N ATOM 1298 CA VAL A 80 -10.827 3.818 -0.950 1.00 0.00 C ATOM 1299 C VAL A 80 -11.813 4.621 -1.787 1.00 0.00 C ATOM 1300 O VAL A 80 -11.862 4.471 -3.008 1.00 0.00 O ATOM 1301 CB VAL A 80 -9.430 4.481 -0.983 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -8.589 4.083 0.235 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -8.618 4.198 -2.260 1.00 0.00 C ATOM 0 H VAL A 80 -10.837 2.405 -2.470 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.160 3.797 0.088 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.642 5.550 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.614 4.567 0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -9.098 4.397 1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.456 3.001 0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.653 4.702 -2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.461 3.124 -2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.164 4.568 -3.128 1.00 0.00 H new ATOM 1313 N GLU A 81 -12.599 5.465 -1.122 1.00 0.00 N ATOM 1314 CA GLU A 81 -13.431 6.464 -1.769 1.00 0.00 C ATOM 1315 C GLU A 81 -12.470 7.588 -2.147 1.00 0.00 C ATOM 1316 O GLU A 81 -11.643 8.008 -1.329 1.00 0.00 O ATOM 1317 CB GLU A 81 -14.526 6.967 -0.818 1.00 0.00 C ATOM 1318 CG GLU A 81 -15.571 5.881 -0.528 1.00 0.00 C ATOM 1319 CD GLU A 81 -16.742 6.436 0.304 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -16.635 6.506 1.549 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -17.791 6.794 -0.279 1.00 0.00 O ATOM 0 H GLU A 81 -12.673 5.470 -0.105 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.952 6.064 -2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -14.073 7.295 0.118 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.017 7.836 -1.256 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -15.949 5.478 -1.467 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -15.101 5.056 0.007 1.00 0.00 H new ATOM 1328 N VAL A 82 -12.567 8.080 -3.376 1.00 0.00 N ATOM 1329 CA VAL A 82 -11.571 8.977 -3.939 1.00 0.00 C ATOM 1330 C VAL A 82 -12.246 9.969 -4.888 1.00 0.00 C ATOM 1331 O VAL A 82 -13.223 9.619 -5.544 1.00 0.00 O ATOM 1332 CB VAL A 82 -10.498 8.076 -4.593 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -11.036 7.164 -5.707 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -9.322 8.871 -5.141 1.00 0.00 C ATOM 0 H VAL A 82 -13.339 7.867 -4.008 1.00 0.00 H new ATOM 0 HA VAL A 82 -11.080 9.603 -3.194 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.162 7.442 -3.773 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.220 6.565 -6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.802 6.504 -5.299 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -11.468 7.774 -6.500 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.599 8.189 -5.589 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -9.677 9.571 -5.897 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.846 9.423 -4.330 1.00 0.00 H new ATOM 1344 N ALA A 83 -11.748 11.201 -4.978 1.00 0.00 N ATOM 1345 CA ALA A 83 -12.331 12.275 -5.773 1.00 0.00 C ATOM 1346 C ALA A 83 -11.223 12.928 -6.587 1.00 0.00 C ATOM 1347 O ALA A 83 -10.131 13.163 -6.072 1.00 0.00 O ATOM 1348 CB ALA A 83 -12.992 13.301 -4.849 1.00 0.00 C ATOM 0 H ALA A 83 -10.902 11.486 -4.484 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.092 11.878 -6.445 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.427 14.102 -5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.776 12.815 -4.268 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.245 13.717 -4.173 1.00 0.00 H new ATOM 1354 N ASP A 84 -11.497 13.212 -7.858 1.00 0.00 N ATOM 1355 CA ASP A 84 -10.533 13.841 -8.756 1.00 0.00 C ATOM 1356 C ASP A 84 -10.370 15.317 -8.405 1.00 0.00 C ATOM 1357 O ASP A 84 -11.351 16.062 -8.411 1.00 0.00 O ATOM 1358 CB ASP A 84 -10.987 13.690 -10.211 1.00 0.00 C ATOM 1359 CG ASP A 84 -10.176 14.614 -11.120 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -8.936 14.477 -11.163 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -10.789 15.505 -11.742 1.00 0.00 O ATOM 0 H ASP A 84 -12.397 13.012 -8.295 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.570 13.345 -8.637 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.865 12.655 -10.531 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -12.048 13.927 -10.294 1.00 0.00 H new ATOM 1366 N ILE A 85 -9.136 15.742 -8.126 1.00 0.00 N ATOM 1367 CA ILE A 85 -8.804 17.147 -7.889 1.00 0.00 C ATOM 1368 C ILE A 85 -8.510 17.834 -9.238 1.00 0.00 C ATOM 1369 O ILE A 85 -8.685 19.047 -9.362 1.00 0.00 O ATOM 1370 CB ILE A 85 -7.607 17.259 -6.905 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -7.846 16.493 -5.580 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -7.300 18.724 -6.543 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -6.619 16.462 -4.654 1.00 0.00 C ATOM 0 H ILE A 85 -8.334 15.116 -8.058 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.649 17.656 -7.425 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.766 16.813 -7.435 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.679 16.954 -5.049 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.142 15.470 -5.811 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.457 18.759 -5.853 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.052 19.278 -7.448 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.174 19.173 -6.071 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.862 15.909 -3.747 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.789 15.974 -5.165 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.335 17.481 -4.392 1.00 0.00 H new ATOM 1457 N VAL A 92 -17.101 11.863 -7.029 1.00 0.00 N ATOM 1458 CA VAL A 92 -16.395 10.875 -6.220 1.00 0.00 C ATOM 1459 C VAL A 92 -16.554 9.491 -6.870 1.00 0.00 C ATOM 1460 O VAL A 92 -17.540 9.211 -7.557 1.00 0.00 O ATOM 1461 CB VAL A 92 -16.930 10.906 -4.762 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -16.019 10.143 -3.786 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -17.108 12.329 -4.195 1.00 0.00 C ATOM 0 HA VAL A 92 -15.331 11.107 -6.176 1.00 0.00 H new ATOM 0 HB VAL A 92 -17.905 10.424 -4.838 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.438 10.195 -2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -15.947 9.100 -4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.026 10.592 -3.789 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -17.484 12.269 -3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -16.148 12.845 -4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -17.818 12.880 -4.812 1.00 0.00 H new ATOM 1473 N TYR A 93 -15.568 8.634 -6.623 1.00 0.00 N ATOM 1474 CA TYR A 93 -15.391 7.301 -7.172 1.00 0.00 C ATOM 1475 C TYR A 93 -14.879 6.375 -6.057 1.00 0.00 C ATOM 1476 O TYR A 93 -14.700 6.795 -4.909 1.00 0.00 O ATOM 1477 CB TYR A 93 -14.352 7.347 -8.313 1.00 0.00 C ATOM 1478 CG TYR A 93 -14.489 8.459 -9.339 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -15.331 8.294 -10.455 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -13.718 9.632 -9.207 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -15.387 9.287 -11.450 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -13.768 10.627 -10.199 1.00 0.00 C ATOM 1483 CZ TYR A 93 -14.596 10.452 -11.333 1.00 0.00 C ATOM 1484 OH TYR A 93 -14.613 11.381 -12.330 1.00 0.00 O ATOM 0 H TYR A 93 -14.813 8.877 -5.981 1.00 0.00 H new ATOM 0 HA TYR A 93 -16.339 6.931 -7.563 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.362 7.423 -7.864 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -14.390 6.394 -8.842 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -15.935 7.404 -10.548 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -13.087 9.767 -8.341 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -16.035 9.159 -12.304 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -13.175 11.524 -10.096 1.00 0.00 H new ATOM 0 HH TYR A 93 -14.016 12.123 -12.096 1.00 0.00 H new ATOM 1494 N THR A 94 -14.569 5.133 -6.426 1.00 0.00 N ATOM 1495 CA THR A 94 -13.870 4.181 -5.571 1.00 0.00 C ATOM 1496 C THR A 94 -12.698 3.619 -6.380 1.00 0.00 C ATOM 1497 O THR A 94 -12.829 3.391 -7.587 1.00 0.00 O ATOM 1498 CB THR A 94 -14.824 3.083 -5.052 1.00 0.00 C ATOM 1499 OG1 THR A 94 -16.115 3.599 -4.767 1.00 0.00 O ATOM 1500 CG2 THR A 94 -14.300 2.435 -3.766 1.00 0.00 C ATOM 0 H THR A 94 -14.802 4.756 -7.345 1.00 0.00 H new ATOM 0 HA THR A 94 -13.488 4.670 -4.675 1.00 0.00 H new ATOM 0 HB THR A 94 -14.881 2.344 -5.851 1.00 0.00 H new ATOM 0 HG1 THR A 94 -16.692 2.876 -4.443 1.00 0.00 H new ATOM 0 HG21 THR A 94 -15.000 1.668 -3.434 1.00 0.00 H new ATOM 0 HG22 THR A 94 -13.328 1.981 -3.957 1.00 0.00 H new ATOM 0 HG23 THR A 94 -14.199 3.195 -2.991 1.00 0.00 H new ATOM 1508 N ALA A 95 -11.562 3.400 -5.719 1.00 0.00 N ATOM 1509 CA ALA A 95 -10.352 2.829 -6.298 1.00 0.00 C ATOM 1510 C ALA A 95 -9.793 1.796 -5.328 1.00 0.00 C ATOM 1511 O ALA A 95 -10.181 1.770 -4.157 1.00 0.00 O ATOM 1512 CB ALA A 95 -9.322 3.937 -6.545 1.00 0.00 C ATOM 0 H ALA A 95 -11.458 3.624 -4.729 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.580 2.352 -7.251 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -8.420 3.505 -6.978 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.738 4.673 -7.233 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -9.075 4.422 -5.600 1.00 0.00 H new ATOM 1518 N LYS A 96 -8.866 0.956 -5.792 1.00 0.00 N ATOM 1519 CA LYS A 96 -8.127 0.092 -4.888 1.00 0.00 C ATOM 1520 C LYS A 96 -7.065 0.952 -4.221 1.00 0.00 C ATOM 1521 O LYS A 96 -6.426 1.769 -4.886 1.00 0.00 O ATOM 1522 CB LYS A 96 -7.465 -1.103 -5.605 1.00 0.00 C ATOM 1523 CG LYS A 96 -8.410 -1.907 -6.511 1.00 0.00 C ATOM 1524 CD LYS A 96 -8.336 -1.466 -7.985 1.00 0.00 C ATOM 1525 CE LYS A 96 -9.497 -2.021 -8.823 1.00 0.00 C ATOM 1526 NZ LYS A 96 -9.486 -3.503 -8.940 1.00 0.00 N ATOM 0 H LYS A 96 -8.616 0.860 -6.776 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.818 -0.339 -4.164 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.633 -0.734 -6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.045 -1.773 -4.855 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.162 -2.966 -6.440 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.433 -1.795 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.343 -0.377 -8.036 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.391 -1.799 -8.414 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.440 -1.706 -8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.456 -1.585 -9.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.294 -3.812 -9.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.601 -3.809 -9.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.555 -3.927 -7.993 1.00 0.00 H new ATOM 1540 N LEU A 97 -6.812 0.726 -2.936 1.00 0.00 N ATOM 1541 CA LEU A 97 -5.661 1.306 -2.244 1.00 0.00 C ATOM 1542 C LEU A 97 -4.383 0.826 -2.951 1.00 0.00 C ATOM 1543 O LEU A 97 -3.403 1.559 -3.046 1.00 0.00 O ATOM 1544 CB LEU A 97 -5.672 0.865 -0.769 1.00 0.00 C ATOM 1545 CG LEU A 97 -4.595 1.547 0.100 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -4.873 3.046 0.262 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -4.571 0.894 1.486 1.00 0.00 C ATOM 0 H LEU A 97 -7.397 0.137 -2.344 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.702 2.395 -2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.654 1.077 -0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.531 -0.215 -0.723 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.633 1.425 -0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.095 3.496 0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.879 3.523 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.842 3.187 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.811 1.375 2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.546 1.008 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.339 -0.166 1.385 1.00 0.00 H new ATOM 1559 N SER A 98 -4.441 -0.383 -3.520 1.00 0.00 N ATOM 1560 CA SER A 98 -3.424 -0.995 -4.365 1.00 0.00 C ATOM 1561 C SER A 98 -3.108 -0.190 -5.640 1.00 0.00 C ATOM 1562 O SER A 98 -2.120 -0.491 -6.310 1.00 0.00 O ATOM 1563 CB SER A 98 -3.928 -2.404 -4.714 1.00 0.00 C ATOM 1564 OG SER A 98 -4.200 -3.100 -3.513 1.00 0.00 O ATOM 0 H SER A 98 -5.249 -0.992 -3.392 1.00 0.00 H new ATOM 0 HA SER A 98 -2.481 -1.024 -3.819 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.827 -2.342 -5.327 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.180 -2.939 -5.299 1.00 0.00 H new ATOM 0 HG SER A 98 -4.948 -3.718 -3.655 1.00 0.00 H new ATOM 1570 N ASP A 99 -3.910 0.827 -5.981 1.00 0.00 N ATOM 1571 CA ASP A 99 -3.772 1.635 -7.193 1.00 0.00 C ATOM 1572 C ASP A 99 -3.406 3.084 -6.845 1.00 0.00 C ATOM 1573 O ASP A 99 -3.359 3.941 -7.722 1.00 0.00 O ATOM 1574 CB ASP A 99 -5.102 1.584 -7.972 1.00 0.00 C ATOM 1575 CG ASP A 99 -4.966 1.341 -9.482 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -4.019 0.655 -9.926 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -5.891 1.756 -10.214 1.00 0.00 O ATOM 0 H ASP A 99 -4.697 1.117 -5.400 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.968 1.233 -7.809 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.723 0.795 -7.548 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -5.631 2.524 -7.818 1.00 0.00 H new ATOM 1582 N ILE A 100 -3.168 3.379 -5.566 1.00 0.00 N ATOM 1583 CA ILE A 100 -2.986 4.721 -5.020 1.00 0.00 C ATOM 1584 C ILE A 100 -1.580 4.836 -4.443 1.00 0.00 C ATOM 1585 O ILE A 100 -0.981 3.866 -3.973 1.00 0.00 O ATOM 1586 CB ILE A 100 -4.103 4.993 -3.973 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -5.391 5.415 -4.707 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -3.763 5.978 -2.833 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -5.583 6.911 -4.951 1.00 0.00 C ATOM 0 H ILE A 100 -3.094 2.655 -4.852 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.077 5.484 -5.793 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.235 4.048 -3.445 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.415 4.907 -5.671 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.244 5.051 -4.134 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.624 6.081 -2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.913 5.599 -2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.512 6.951 -3.256 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.525 7.076 -5.474 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.601 7.436 -3.996 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.760 7.289 -5.557 1.00 0.00 H new ATOM 1601 N GLU A 101 -1.093 6.070 -4.447 1.00 0.00 N ATOM 1602 CA GLU A 101 0.127 6.486 -3.769 1.00 0.00 C ATOM 1603 C GLU A 101 -0.193 7.817 -3.085 1.00 0.00 C ATOM 1604 O GLU A 101 -0.705 8.727 -3.738 1.00 0.00 O ATOM 1605 CB GLU A 101 1.253 6.595 -4.808 1.00 0.00 C ATOM 1606 CG GLU A 101 2.628 6.866 -4.186 1.00 0.00 C ATOM 1607 CD GLU A 101 3.724 6.981 -5.264 1.00 0.00 C ATOM 1608 OE1 GLU A 101 4.006 5.982 -5.965 1.00 0.00 O ATOM 1609 OE2 GLU A 101 4.326 8.070 -5.407 1.00 0.00 O ATOM 0 H GLU A 101 -1.553 6.835 -4.940 1.00 0.00 H new ATOM 0 HA GLU A 101 0.467 5.776 -3.015 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.298 5.670 -5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.015 7.395 -5.509 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.590 7.787 -3.605 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.880 6.062 -3.494 1.00 0.00 H new ATOM 1616 N ALA A 102 0.041 7.938 -1.775 1.00 0.00 N ATOM 1617 CA ALA A 102 -0.240 9.183 -1.063 1.00 0.00 C ATOM 1618 C ALA A 102 0.818 10.235 -1.399 1.00 0.00 C ATOM 1619 O ALA A 102 1.971 9.904 -1.689 1.00 0.00 O ATOM 1620 CB ALA A 102 -0.274 8.954 0.449 1.00 0.00 C ATOM 0 H ALA A 102 0.422 7.193 -1.191 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.219 9.539 -1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.485 9.896 0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -1.053 8.230 0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.691 8.572 0.781 1.00 0.00 H new ATOM 1626 N ILE A 103 0.432 11.504 -1.282 1.00 0.00 N ATOM 1627 CA ILE A 103 1.295 12.655 -1.514 1.00 0.00 C ATOM 1628 C ILE A 103 1.349 13.459 -0.213 1.00 0.00 C ATOM 1629 O ILE A 103 0.310 13.808 0.351 1.00 0.00 O ATOM 1630 CB ILE A 103 0.754 13.497 -2.696 1.00 0.00 C ATOM 1631 CG1 ILE A 103 0.727 12.704 -4.026 1.00 0.00 C ATOM 1632 CG2 ILE A 103 1.591 14.775 -2.893 1.00 0.00 C ATOM 1633 CD1 ILE A 103 -0.149 13.375 -5.092 1.00 0.00 C ATOM 0 H ILE A 103 -0.517 11.765 -1.015 1.00 0.00 H new ATOM 0 HA ILE A 103 2.303 12.344 -1.788 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.271 13.762 -2.434 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.744 12.604 -4.406 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.356 11.696 -3.837 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.190 15.348 -3.729 1.00 0.00 H new ATOM 0 HG22 ILE A 103 1.551 15.379 -1.987 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.626 14.504 -3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.133 12.779 -6.004 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.173 13.451 -4.726 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.236 14.373 -5.304 1.00 0.00 H new ATOM 1645 N ASP A 104 2.575 13.783 0.215 1.00 0.00 N ATOM 1646 CA ASP A 104 2.893 14.677 1.335 1.00 0.00 C ATOM 1647 C ASP A 104 2.082 14.370 2.606 1.00 0.00 C ATOM 1648 O ASP A 104 1.623 15.271 3.313 1.00 0.00 O ATOM 1649 CB ASP A 104 2.798 16.142 0.873 1.00 0.00 C ATOM 1650 CG ASP A 104 3.335 17.134 1.923 1.00 0.00 C ATOM 1651 OD1 ASP A 104 4.433 16.909 2.482 1.00 0.00 O ATOM 1652 OD2 ASP A 104 2.694 18.186 2.150 1.00 0.00 O ATOM 0 H ASP A 104 3.413 13.411 -0.232 1.00 0.00 H new ATOM 0 HA ASP A 104 3.924 14.494 1.638 1.00 0.00 H new ATOM 0 HB2 ASP A 104 3.358 16.263 -0.054 1.00 0.00 H new ATOM 0 HB3 ASP A 104 1.758 16.382 0.651 1.00 0.00 H new ATOM 1657 N VAL A 105 1.854 13.080 2.874 1.00 0.00 N ATOM 1658 CA VAL A 105 1.022 12.627 3.988 1.00 0.00 C ATOM 1659 C VAL A 105 1.884 12.365 5.235 1.00 0.00 C ATOM 1660 O VAL A 105 3.117 12.430 5.175 1.00 0.00 O ATOM 1661 CB VAL A 105 0.154 11.439 3.517 1.00 0.00 C ATOM 1662 CG1 VAL A 105 0.876 10.085 3.503 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -1.158 11.372 4.300 1.00 0.00 C ATOM 0 H VAL A 105 2.245 12.318 2.320 1.00 0.00 H new ATOM 0 HA VAL A 105 0.323 13.402 4.303 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.072 11.643 2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.190 9.311 3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.732 10.136 2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.219 9.845 4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.749 10.527 3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.942 11.247 5.361 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.719 12.295 4.150 1.00 0.00 H new ATOM 1673 N ASP A 106 1.241 12.097 6.377 1.00 0.00 N ATOM 1674 CA ASP A 106 1.936 11.775 7.622 1.00 0.00 C ATOM 1675 C ASP A 106 2.616 10.408 7.522 1.00 0.00 C ATOM 1676 O ASP A 106 2.206 9.547 6.740 1.00 0.00 O ATOM 1677 CB ASP A 106 0.992 11.846 8.837 1.00 0.00 C ATOM 1678 CG ASP A 106 0.680 10.475 9.459 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -0.201 9.764 8.930 1.00 0.00 O ATOM 1680 OD2 ASP A 106 1.332 10.114 10.464 1.00 0.00 O ATOM 0 H ASP A 106 0.224 12.098 6.461 1.00 0.00 H new ATOM 0 HA ASP A 106 2.709 12.528 7.776 1.00 0.00 H new ATOM 0 HB2 ASP A 106 1.440 12.486 9.597 1.00 0.00 H new ATOM 0 HB3 ASP A 106 0.058 12.318 8.533 1.00 0.00 H new ATOM 1685 N ASP A 107 3.645 10.205 8.345 1.00 0.00 N ATOM 1686 CA ASP A 107 4.464 9.000 8.327 1.00 0.00 C ATOM 1687 C ASP A 107 3.643 7.724 8.499 1.00 0.00 C ATOM 1688 O ASP A 107 3.932 6.735 7.832 1.00 0.00 O ATOM 1689 CB ASP A 107 5.535 9.087 9.418 1.00 0.00 C ATOM 1690 CG ASP A 107 6.410 7.823 9.447 1.00 0.00 C ATOM 1691 OD1 ASP A 107 7.280 7.669 8.561 1.00 0.00 O ATOM 1692 OD2 ASP A 107 6.280 7.016 10.394 1.00 0.00 O ATOM 0 H ASP A 107 3.934 10.883 9.050 1.00 0.00 H new ATOM 0 HA ASP A 107 4.933 8.943 7.345 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.162 9.962 9.245 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.058 9.223 10.388 1.00 0.00 H new ATOM 1697 N ASP A 108 2.607 7.729 9.343 1.00 0.00 N ATOM 1698 CA ASP A 108 1.838 6.520 9.621 1.00 0.00 C ATOM 1699 C ASP A 108 0.951 6.175 8.422 1.00 0.00 C ATOM 1700 O ASP A 108 0.942 5.028 7.979 1.00 0.00 O ATOM 1701 CB ASP A 108 1.012 6.676 10.910 1.00 0.00 C ATOM 1702 CG ASP A 108 0.939 5.398 11.766 1.00 0.00 C ATOM 1703 OD1 ASP A 108 1.913 4.613 11.803 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -0.060 5.227 12.500 1.00 0.00 O ATOM 0 H ASP A 108 2.285 8.557 9.843 1.00 0.00 H new ATOM 0 HA ASP A 108 2.530 5.693 9.781 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.442 7.478 11.510 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -0.000 6.982 10.646 1.00 0.00 H new ATOM 1709 N THR A 109 0.268 7.161 7.832 1.00 0.00 N ATOM 1710 CA THR A 109 -0.510 6.977 6.611 1.00 0.00 C ATOM 1711 C THR A 109 0.399 6.481 5.480 1.00 0.00 C ATOM 1712 O THR A 109 0.034 5.538 4.773 1.00 0.00 O ATOM 1713 CB THR A 109 -1.241 8.294 6.268 1.00 0.00 C ATOM 1714 OG1 THR A 109 -1.998 8.728 7.382 1.00 0.00 O ATOM 1715 CG2 THR A 109 -2.237 8.162 5.114 1.00 0.00 C ATOM 0 H THR A 109 0.242 8.114 8.194 1.00 0.00 H new ATOM 0 HA THR A 109 -1.273 6.212 6.755 1.00 0.00 H new ATOM 0 HB THR A 109 -0.453 8.993 5.986 1.00 0.00 H new ATOM 0 HG1 THR A 109 -1.527 9.459 7.833 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.711 9.126 4.931 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.712 7.839 4.215 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.999 7.426 5.373 1.00 0.00 H new ATOM 1723 N GLN A 110 1.600 7.054 5.336 1.00 0.00 N ATOM 1724 CA GLN A 110 2.548 6.628 4.318 1.00 0.00 C ATOM 1725 C GLN A 110 2.950 5.169 4.568 1.00 0.00 C ATOM 1726 O GLN A 110 2.909 4.360 3.643 1.00 0.00 O ATOM 1727 CB GLN A 110 3.759 7.582 4.301 1.00 0.00 C ATOM 1728 CG GLN A 110 4.477 7.630 2.943 1.00 0.00 C ATOM 1729 CD GLN A 110 5.110 6.298 2.534 1.00 0.00 C ATOM 1730 OE1 GLN A 110 6.009 5.787 3.196 1.00 0.00 O ATOM 1731 NE2 GLN A 110 4.654 5.703 1.442 1.00 0.00 N ATOM 0 H GLN A 110 1.934 7.820 5.921 1.00 0.00 H new ATOM 0 HA GLN A 110 2.089 6.674 3.330 1.00 0.00 H new ATOM 0 HB2 GLN A 110 3.425 8.586 4.563 1.00 0.00 H new ATOM 0 HB3 GLN A 110 4.468 7.271 5.068 1.00 0.00 H new ATOM 0 HG2 GLN A 110 3.765 7.934 2.176 1.00 0.00 H new ATOM 0 HG3 GLN A 110 5.253 8.395 2.979 1.00 0.00 H new ATOM 0 HE21 GLN A 110 3.907 6.136 0.899 1.00 0.00 H new ATOM 0 HE22 GLN A 110 5.050 4.812 1.144 1.00 0.00 H new ATOM 1740 N GLU A 111 3.287 4.808 5.809 1.00 0.00 N ATOM 1741 CA GLU A 111 3.691 3.452 6.156 1.00 0.00 C ATOM 1742 C GLU A 111 2.576 2.453 5.896 1.00 0.00 C ATOM 1743 O GLU A 111 2.862 1.387 5.366 1.00 0.00 O ATOM 1744 CB GLU A 111 4.139 3.367 7.622 1.00 0.00 C ATOM 1745 CG GLU A 111 5.596 3.811 7.785 1.00 0.00 C ATOM 1746 CD GLU A 111 6.620 2.848 7.141 1.00 0.00 C ATOM 1747 OE1 GLU A 111 6.358 1.628 7.023 1.00 0.00 O ATOM 1748 OE2 GLU A 111 7.725 3.302 6.766 1.00 0.00 O ATOM 0 H GLU A 111 3.286 5.452 6.600 1.00 0.00 H new ATOM 0 HA GLU A 111 4.535 3.196 5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.494 3.994 8.238 1.00 0.00 H new ATOM 0 HB3 GLU A 111 4.026 2.344 7.980 1.00 0.00 H new ATOM 0 HG2 GLU A 111 5.715 4.801 7.344 1.00 0.00 H new ATOM 0 HG3 GLU A 111 5.820 3.906 8.847 1.00 0.00 H new ATOM 1755 N ALA A 112 1.319 2.788 6.198 1.00 0.00 N ATOM 1756 CA ALA A 112 0.186 1.908 5.919 1.00 0.00 C ATOM 1757 C ALA A 112 0.156 1.525 4.436 1.00 0.00 C ATOM 1758 O ALA A 112 -0.038 0.361 4.088 1.00 0.00 O ATOM 1759 CB ALA A 112 -1.124 2.611 6.288 1.00 0.00 C ATOM 0 H ALA A 112 1.061 3.671 6.640 1.00 0.00 H new ATOM 0 HA ALA A 112 0.297 1.003 6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.964 1.949 6.077 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.116 2.861 7.349 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.225 3.524 5.701 1.00 0.00 H new ATOM 1765 N ILE A 113 0.353 2.519 3.570 1.00 0.00 N ATOM 1766 CA ILE A 113 0.277 2.362 2.128 1.00 0.00 C ATOM 1767 C ILE A 113 1.500 1.588 1.634 1.00 0.00 C ATOM 1768 O ILE A 113 1.341 0.616 0.898 1.00 0.00 O ATOM 1769 CB ILE A 113 0.126 3.765 1.508 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -1.275 4.302 1.874 1.00 0.00 C ATOM 1771 CG2 ILE A 113 0.336 3.768 -0.015 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -1.378 5.817 1.765 1.00 0.00 C ATOM 0 H ILE A 113 0.574 3.471 3.862 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.588 1.774 1.821 1.00 0.00 H new ATOM 0 HB ILE A 113 0.903 4.413 1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.016 3.845 1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.520 3.999 2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.218 4.782 -0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.339 3.409 -0.245 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.400 3.115 -0.485 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -2.386 6.134 2.035 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.659 6.280 2.441 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.163 6.124 0.741 1.00 0.00 H new ATOM 1784 N ALA A 114 2.707 1.974 2.053 1.00 0.00 N ATOM 1785 CA ALA A 114 3.932 1.275 1.678 1.00 0.00 C ATOM 1786 C ALA A 114 3.860 -0.198 2.094 1.00 0.00 C ATOM 1787 O ALA A 114 4.111 -1.084 1.284 1.00 0.00 O ATOM 1788 CB ALA A 114 5.139 1.958 2.329 1.00 0.00 C ATOM 0 H ALA A 114 2.860 2.779 2.661 1.00 0.00 H new ATOM 0 HA ALA A 114 4.044 1.317 0.595 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.051 1.432 2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.197 2.993 1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.029 1.935 3.413 1.00 0.00 H new ATOM 1794 N ASP A 115 3.465 -0.455 3.340 1.00 0.00 N ATOM 1795 CA ASP A 115 3.371 -1.794 3.919 1.00 0.00 C ATOM 1796 C ASP A 115 2.355 -2.657 3.166 1.00 0.00 C ATOM 1797 O ASP A 115 2.597 -3.837 2.903 1.00 0.00 O ATOM 1798 CB ASP A 115 3.001 -1.678 5.400 1.00 0.00 C ATOM 1799 CG ASP A 115 3.220 -2.992 6.150 1.00 0.00 C ATOM 1800 OD1 ASP A 115 4.357 -3.187 6.636 1.00 0.00 O ATOM 1801 OD2 ASP A 115 2.261 -3.773 6.308 1.00 0.00 O ATOM 0 H ASP A 115 3.194 0.282 3.992 1.00 0.00 H new ATOM 0 HA ASP A 115 4.339 -2.287 3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 115 3.599 -0.893 5.863 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.957 -1.379 5.490 1.00 0.00 H new ATOM 1806 N TRP A 116 1.246 -2.043 2.748 1.00 0.00 N ATOM 1807 CA TRP A 116 0.230 -2.698 1.938 1.00 0.00 C ATOM 1808 C TRP A 116 0.768 -3.029 0.543 1.00 0.00 C ATOM 1809 O TRP A 116 0.553 -4.134 0.045 1.00 0.00 O ATOM 1810 CB TRP A 116 -1.012 -1.805 1.847 1.00 0.00 C ATOM 1811 CG TRP A 116 -2.077 -2.338 0.944 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -2.424 -1.823 -0.257 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -2.868 -3.556 1.098 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -3.366 -2.634 -0.850 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -3.678 -3.717 -0.061 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -2.955 -4.563 2.081 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -4.533 -4.813 -0.231 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -3.810 -5.671 1.923 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -4.594 -5.802 0.764 1.00 0.00 C ATOM 0 H TRP A 116 1.031 -1.070 2.966 1.00 0.00 H new ATOM 0 HA TRP A 116 -0.045 -3.639 2.415 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -1.428 -1.675 2.846 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -0.712 -0.818 1.496 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -2.024 -0.916 -0.685 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -3.782 -2.454 -1.764 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -2.353 -4.483 2.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -5.140 -4.897 -1.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -3.863 -6.423 2.696 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -5.240 -6.659 0.639 1.00 0.00 H new ATOM 1830 N LEU A 117 1.492 -2.101 -0.089 1.00 0.00 N ATOM 1831 CA LEU A 117 2.089 -2.326 -1.402 1.00 0.00 C ATOM 1832 C LEU A 117 3.173 -3.406 -1.324 1.00 0.00 C ATOM 1833 O LEU A 117 3.322 -4.182 -2.268 1.00 0.00 O ATOM 1834 CB LEU A 117 2.647 -1.012 -1.976 1.00 0.00 C ATOM 1835 CG LEU A 117 1.558 0.007 -2.376 1.00 0.00 C ATOM 1836 CD1 LEU A 117 2.203 1.365 -2.671 1.00 0.00 C ATOM 1837 CD2 LEU A 117 0.743 -0.450 -3.594 1.00 0.00 C ATOM 0 H LEU A 117 1.679 -1.175 0.297 1.00 0.00 H new ATOM 0 HA LEU A 117 1.313 -2.682 -2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.305 -0.555 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.257 -1.239 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 117 0.869 0.089 -1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.431 2.081 -2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.722 1.722 -1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 117 2.916 1.259 -3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.008 0.303 -3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.408 -0.582 -4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.250 -1.396 -3.368 1.00 0.00 H new ATOM 1849 N TYR A 118 3.895 -3.514 -0.204 1.00 0.00 N ATOM 1850 CA TYR A 118 4.820 -4.616 0.017 1.00 0.00 C ATOM 1851 C TYR A 118 4.056 -5.935 0.059 1.00 0.00 C ATOM 1852 O TYR A 118 4.452 -6.866 -0.631 1.00 0.00 O ATOM 1853 CB TYR A 118 5.650 -4.414 1.295 1.00 0.00 C ATOM 1854 CG TYR A 118 6.498 -3.154 1.356 1.00 0.00 C ATOM 1855 CD1 TYR A 118 7.062 -2.590 0.193 1.00 0.00 C ATOM 1856 CD2 TYR A 118 6.719 -2.535 2.601 1.00 0.00 C ATOM 1857 CE1 TYR A 118 7.825 -1.415 0.269 1.00 0.00 C ATOM 1858 CE2 TYR A 118 7.433 -1.329 2.678 1.00 0.00 C ATOM 1859 CZ TYR A 118 8.005 -0.768 1.513 1.00 0.00 C ATOM 1860 OH TYR A 118 8.719 0.389 1.604 1.00 0.00 O ATOM 0 H TYR A 118 3.852 -2.844 0.564 1.00 0.00 H new ATOM 0 HA TYR A 118 5.523 -4.644 -0.816 1.00 0.00 H new ATOM 0 HB2 TYR A 118 4.970 -4.410 2.147 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.308 -5.275 1.415 1.00 0.00 H new ATOM 0 HD1 TYR A 118 6.905 -3.066 -0.764 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.337 -2.991 3.502 1.00 0.00 H new ATOM 0 HE1 TYR A 118 8.275 -1.005 -0.623 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.546 -0.829 3.629 1.00 0.00 H new ATOM 0 HH TYR A 118 8.736 0.690 2.536 1.00 0.00 H new ATOM 1870 N TRP A 119 2.945 -6.024 0.794 1.00 0.00 N ATOM 1871 CA TRP A 119 2.110 -7.224 0.824 1.00 0.00 C ATOM 1872 C TRP A 119 1.544 -7.566 -0.566 1.00 0.00 C ATOM 1873 O TRP A 119 1.503 -8.739 -0.950 1.00 0.00 O ATOM 1874 CB TRP A 119 1.013 -7.040 1.878 1.00 0.00 C ATOM 1875 CG TRP A 119 -0.214 -7.883 1.720 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -1.253 -7.584 0.909 1.00 0.00 C ATOM 1877 CD2 TRP A 119 -0.590 -9.122 2.400 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -2.229 -8.545 1.024 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -1.904 -9.476 1.979 1.00 0.00 C ATOM 1880 CE3 TRP A 119 0.019 -9.969 3.353 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -2.595 -10.566 2.515 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -0.690 -11.034 3.943 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -2.008 -11.317 3.544 1.00 0.00 C ATOM 0 H TRP A 119 2.600 -5.267 1.384 1.00 0.00 H new ATOM 0 HA TRP A 119 2.722 -8.081 1.105 1.00 0.00 H new ATOM 0 HB2 TRP A 119 1.444 -7.245 2.858 1.00 0.00 H new ATOM 0 HB3 TRP A 119 0.710 -5.993 1.876 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -1.308 -6.718 0.266 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -3.085 -8.564 0.470 1.00 0.00 H new ATOM 0 HE3 TRP A 119 1.047 -9.797 3.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -3.573 -10.828 2.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -0.219 -11.636 4.706 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -2.565 -12.107 4.026 1.00 0.00 H new ATOM 1894 N LEU A 120 1.150 -6.558 -1.350 1.00 0.00 N ATOM 1895 CA LEU A 120 0.668 -6.744 -2.714 1.00 0.00 C ATOM 1896 C LEU A 120 1.750 -7.414 -3.564 1.00 0.00 C ATOM 1897 O LEU A 120 1.479 -8.420 -4.219 1.00 0.00 O ATOM 1898 CB LEU A 120 0.240 -5.375 -3.274 1.00 0.00 C ATOM 1899 CG LEU A 120 -0.274 -5.372 -4.726 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -1.594 -6.134 -4.885 1.00 0.00 C ATOM 1901 CD2 LEU A 120 -0.477 -3.916 -5.159 1.00 0.00 C ATOM 0 H LEU A 120 1.158 -5.583 -1.049 1.00 0.00 H new ATOM 0 HA LEU A 120 -0.199 -7.405 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -0.542 -4.970 -2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 120 1.090 -4.696 -3.209 1.00 0.00 H new ATOM 0 HG LEU A 120 0.465 -5.877 -5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.910 -6.100 -5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -1.454 -7.172 -4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.358 -5.673 -4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -0.841 -3.889 -6.186 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.205 -3.440 -4.503 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.471 -3.382 -5.096 1.00 0.00 H new ATOM 1913 N ALA A 121 2.985 -6.904 -3.507 1.00 0.00 N ATOM 1914 CA ALA A 121 4.122 -7.485 -4.217 1.00 0.00 C ATOM 1915 C ALA A 121 4.580 -8.824 -3.610 1.00 0.00 C ATOM 1916 O ALA A 121 5.141 -9.658 -4.322 1.00 0.00 O ATOM 1917 CB ALA A 121 5.269 -6.471 -4.222 1.00 0.00 C ATOM 0 H ALA A 121 3.222 -6.073 -2.964 1.00 0.00 H new ATOM 0 HA ALA A 121 3.810 -7.707 -5.238 1.00 0.00 H new ATOM 0 HB1 ALA A 121 6.125 -6.892 -4.749 1.00 0.00 H new ATOM 0 HB2 ALA A 121 4.946 -5.559 -4.724 1.00 0.00 H new ATOM 0 HB3 ALA A 121 5.554 -6.239 -3.196 1.00 0.00 H new ATOM 1923 N ARG A 122 4.348 -9.049 -2.310 1.00 0.00 N ATOM 1924 CA ARG A 122 4.728 -10.272 -1.592 1.00 0.00 C ATOM 1925 C ARG A 122 3.937 -11.469 -2.114 1.00 0.00 C ATOM 1926 O ARG A 122 4.453 -12.586 -2.056 1.00 0.00 O ATOM 1927 CB ARG A 122 4.510 -10.052 -0.081 1.00 0.00 C ATOM 1928 CG ARG A 122 4.836 -11.199 0.886 1.00 0.00 C ATOM 1929 CD ARG A 122 6.305 -11.632 0.887 1.00 0.00 C ATOM 1930 NE ARG A 122 6.553 -12.723 -0.070 1.00 0.00 N ATOM 1931 CZ ARG A 122 7.482 -13.682 0.047 1.00 0.00 C ATOM 1932 NH1 ARG A 122 8.285 -13.753 1.108 1.00 0.00 N ATOM 1933 NH2 ARG A 122 7.602 -14.580 -0.925 1.00 0.00 N ATOM 0 H ARG A 122 3.879 -8.368 -1.714 1.00 0.00 H new ATOM 0 HA ARG A 122 5.782 -10.492 -1.763 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.106 -9.189 0.217 1.00 0.00 H new ATOM 0 HB3 ARG A 122 3.464 -9.783 0.066 1.00 0.00 H new ATOM 0 HG2 ARG A 122 4.559 -10.896 1.896 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.217 -12.059 0.631 1.00 0.00 H new ATOM 0 HD2 ARG A 122 6.936 -10.779 0.637 1.00 0.00 H new ATOM 0 HD3 ARG A 122 6.588 -11.955 1.889 1.00 0.00 H new ATOM 0 HE ARG A 122 5.962 -12.752 -0.901 1.00 0.00 H new ATOM 0 HH11 ARG A 122 8.201 -13.066 1.858 1.00 0.00 H new ATOM 0 HH12 ARG A 122 8.983 -14.494 1.170 1.00 0.00 H new ATOM 0 HH21 ARG A 122 6.993 -14.532 -1.742 1.00 0.00 H new ATOM 0 HH22 ARG A 122 8.303 -15.317 -0.854 1.00 0.00 H new