USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 455 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 Single : A 20 GLN : amide:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 100:sc= -0.258 USER MOD Single : A 26 ASN : amide:sc= 0.314 X(o=0.31,f=0) USER MOD Single : A 27 GLN : amide:sc= -1 K(o=-1,f=-2.8) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -3.41! C(o=-3.4!,f=-5.6!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -170:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.026 K(o=-0.026,f=-1.3) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -170:sc= -2.55! USER MOD Single : A 65 SER OG : rot 180:sc= -1.25 USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -1.17! USER MOD Single : A 79 CYS SG : rot 180:sc= -1.82 USER MOD Single : A 83 HIS : no HE2:sc= -1.19 K(o=-1.2,f=-2) USER MOD ----------------------------------------------------------------- ATOM 277 N GLU A 19 96.199 -10.266 6.658 1.00 0.00 N ATOM 278 CA GLU A 19 97.456 -9.502 6.840 1.00 0.00 C ATOM 279 C GLU A 19 97.220 -8.032 6.516 1.00 0.00 C ATOM 280 O GLU A 19 97.984 -7.170 6.904 1.00 0.00 O ATOM 281 CB GLU A 19 98.451 -10.119 5.856 1.00 0.00 C ATOM 282 CG GLU A 19 99.092 -11.360 6.480 1.00 0.00 C ATOM 283 CD GLU A 19 100.277 -11.809 5.622 1.00 0.00 C ATOM 284 OE1 GLU A 19 101.039 -10.953 5.205 1.00 0.00 O ATOM 285 OE2 GLU A 19 100.401 -13.001 5.396 1.00 0.00 O ATOM 0 HA GLU A 19 97.825 -9.550 7.865 1.00 0.00 H new ATOM 0 HB2 GLU A 19 97.942 -10.387 4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 19 99.220 -9.391 5.598 1.00 0.00 H new ATOM 0 HG2 GLU A 19 99.426 -11.139 7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 19 98.358 -12.163 6.554 1.00 0.00 H new ATOM 292 N GLN A 20 96.164 -7.735 5.814 1.00 0.00 N ATOM 293 CA GLN A 20 95.884 -6.315 5.478 1.00 0.00 C ATOM 294 C GLN A 20 94.500 -5.921 6.003 1.00 0.00 C ATOM 295 O GLN A 20 94.135 -4.763 6.017 1.00 0.00 O ATOM 296 CB GLN A 20 95.977 -6.235 3.944 1.00 0.00 C ATOM 297 CG GLN A 20 94.586 -6.310 3.306 1.00 0.00 C ATOM 298 CD GLN A 20 94.730 -6.405 1.786 1.00 0.00 C ATOM 299 OE1 GLN A 20 94.060 -7.193 1.147 1.00 0.00 O ATOM 300 NE2 GLN A 20 95.583 -5.629 1.174 1.00 0.00 N ATOM 0 H GLN A 20 95.487 -8.411 5.460 1.00 0.00 H new ATOM 0 HA GLN A 20 96.587 -5.621 5.938 1.00 0.00 H new ATOM 0 HB2 GLN A 20 96.465 -5.305 3.654 1.00 0.00 H new ATOM 0 HB3 GLN A 20 96.597 -7.050 3.570 1.00 0.00 H new ATOM 0 HG2 GLN A 20 94.045 -7.177 3.686 1.00 0.00 H new ATOM 0 HG3 GLN A 20 94.003 -5.429 3.573 1.00 0.00 H new ATOM 0 HE21 GLN A 20 96.146 -4.968 1.709 1.00 0.00 H new ATOM 0 HE22 GLN A 20 95.687 -5.684 0.161 1.00 0.00 H new ATOM 309 N ARG A 21 93.737 -6.881 6.452 1.00 0.00 N ATOM 310 CA ARG A 21 92.388 -6.566 6.995 1.00 0.00 C ATOM 311 C ARG A 21 92.496 -6.335 8.499 1.00 0.00 C ATOM 312 O ARG A 21 91.687 -5.654 9.097 1.00 0.00 O ATOM 313 CB ARG A 21 91.542 -7.802 6.700 1.00 0.00 C ATOM 314 CG ARG A 21 90.264 -7.761 7.538 1.00 0.00 C ATOM 315 CD ARG A 21 89.291 -8.828 7.034 1.00 0.00 C ATOM 316 NE ARG A 21 88.933 -9.623 8.242 1.00 0.00 N ATOM 317 CZ ARG A 21 88.681 -10.899 8.132 1.00 0.00 C ATOM 318 NH1 ARG A 21 89.419 -11.644 7.356 1.00 0.00 N ATOM 319 NH2 ARG A 21 87.690 -11.427 8.797 1.00 0.00 N ATOM 0 H ARG A 21 93.991 -7.869 6.465 1.00 0.00 H new ATOM 0 HA ARG A 21 91.952 -5.670 6.554 1.00 0.00 H new ATOM 0 HB2 ARG A 21 91.292 -7.840 5.640 1.00 0.00 H new ATOM 0 HB3 ARG A 21 92.108 -8.705 6.926 1.00 0.00 H new ATOM 0 HG2 ARG A 21 90.499 -7.934 8.588 1.00 0.00 H new ATOM 0 HG3 ARG A 21 89.805 -6.775 7.473 1.00 0.00 H new ATOM 0 HD2 ARG A 21 88.408 -8.376 6.583 1.00 0.00 H new ATOM 0 HD3 ARG A 21 89.753 -9.455 6.271 1.00 0.00 H new ATOM 0 HE ARG A 21 88.885 -9.170 9.155 1.00 0.00 H new ATOM 0 HH11 ARG A 21 90.192 -11.229 6.836 1.00 0.00 H new ATOM 0 HH12 ARG A 21 89.223 -12.641 7.269 1.00 0.00 H new ATOM 0 HH21 ARG A 21 87.113 -10.843 9.402 1.00 0.00 H new ATOM 0 HH22 ARG A 21 87.492 -12.424 8.712 1.00 0.00 H new ATOM 333 N GLU A 22 93.504 -6.893 9.112 1.00 0.00 N ATOM 334 CA GLU A 22 93.681 -6.702 10.578 1.00 0.00 C ATOM 335 C GLU A 22 94.038 -5.242 10.863 1.00 0.00 C ATOM 336 O GLU A 22 93.713 -4.704 11.903 1.00 0.00 O ATOM 337 CB GLU A 22 94.838 -7.625 10.962 1.00 0.00 C ATOM 338 CG GLU A 22 94.340 -9.070 11.025 1.00 0.00 C ATOM 339 CD GLU A 22 94.162 -9.485 12.486 1.00 0.00 C ATOM 340 OE1 GLU A 22 94.112 -8.606 13.330 1.00 0.00 O ATOM 341 OE2 GLU A 22 94.078 -10.677 12.737 1.00 0.00 O ATOM 0 H GLU A 22 94.212 -7.472 8.661 1.00 0.00 H new ATOM 0 HA GLU A 22 92.779 -6.932 11.145 1.00 0.00 H new ATOM 0 HB2 GLU A 22 95.643 -7.538 10.233 1.00 0.00 H new ATOM 0 HB3 GLU A 22 95.249 -7.328 11.927 1.00 0.00 H new ATOM 0 HG2 GLU A 22 93.394 -9.163 10.492 1.00 0.00 H new ATOM 0 HG3 GLU A 22 95.051 -9.733 10.532 1.00 0.00 H new ATOM 348 N TYR A 23 94.700 -4.598 9.941 1.00 0.00 N ATOM 349 CA TYR A 23 95.076 -3.171 10.152 1.00 0.00 C ATOM 350 C TYR A 23 93.836 -2.279 10.034 1.00 0.00 C ATOM 351 O TYR A 23 93.700 -1.294 10.731 1.00 0.00 O ATOM 352 CB TYR A 23 96.072 -2.855 9.036 1.00 0.00 C ATOM 353 CG TYR A 23 97.111 -1.887 9.549 1.00 0.00 C ATOM 354 CD1 TYR A 23 96.717 -0.650 10.071 1.00 0.00 C ATOM 355 CD2 TYR A 23 98.468 -2.228 9.505 1.00 0.00 C ATOM 356 CE1 TYR A 23 97.680 0.248 10.547 1.00 0.00 C ATOM 357 CE2 TYR A 23 99.431 -1.331 9.982 1.00 0.00 C ATOM 358 CZ TYR A 23 99.037 -0.092 10.503 1.00 0.00 C ATOM 359 OH TYR A 23 99.986 0.792 10.974 1.00 0.00 O ATOM 0 H TYR A 23 94.997 -4.998 9.051 1.00 0.00 H new ATOM 0 HA TYR A 23 95.503 -2.996 11.139 1.00 0.00 H new ATOM 0 HB2 TYR A 23 96.552 -3.771 8.692 1.00 0.00 H new ATOM 0 HB3 TYR A 23 95.551 -2.426 8.180 1.00 0.00 H new ATOM 0 HD1 TYR A 23 95.670 -0.388 10.107 1.00 0.00 H new ATOM 0 HD2 TYR A 23 98.772 -3.183 9.103 1.00 0.00 H new ATOM 0 HE1 TYR A 23 97.376 1.203 10.948 1.00 0.00 H new ATOM 0 HE2 TYR A 23 100.478 -1.594 9.948 1.00 0.00 H new ATOM 0 HH TYR A 23 100.878 0.400 10.871 1.00 0.00 H new ATOM 369 N TYR A 24 92.932 -2.618 9.156 1.00 0.00 N ATOM 370 CA TYR A 24 91.702 -1.790 8.996 1.00 0.00 C ATOM 371 C TYR A 24 90.878 -1.819 10.286 1.00 0.00 C ATOM 372 O TYR A 24 90.400 -0.804 10.753 1.00 0.00 O ATOM 373 CB TYR A 24 90.932 -2.442 7.848 1.00 0.00 C ATOM 374 CG TYR A 24 91.817 -2.522 6.625 1.00 0.00 C ATOM 375 CD1 TYR A 24 92.871 -1.613 6.460 1.00 0.00 C ATOM 376 CD2 TYR A 24 91.581 -3.503 5.655 1.00 0.00 C ATOM 377 CE1 TYR A 24 93.688 -1.688 5.325 1.00 0.00 C ATOM 378 CE2 TYR A 24 92.399 -3.577 4.521 1.00 0.00 C ATOM 379 CZ TYR A 24 93.453 -2.669 4.356 1.00 0.00 C ATOM 380 OH TYR A 24 94.258 -2.742 3.238 1.00 0.00 O ATOM 0 H TYR A 24 92.991 -3.431 8.543 1.00 0.00 H new ATOM 0 HA TYR A 24 91.929 -0.744 8.788 1.00 0.00 H new ATOM 0 HB2 TYR A 24 90.604 -3.440 8.138 1.00 0.00 H new ATOM 0 HB3 TYR A 24 90.036 -1.864 7.623 1.00 0.00 H new ATOM 0 HD1 TYR A 24 93.053 -0.855 7.208 1.00 0.00 H new ATOM 0 HD2 TYR A 24 90.768 -4.203 5.781 1.00 0.00 H new ATOM 0 HE1 TYR A 24 94.500 -0.988 5.198 1.00 0.00 H new ATOM 0 HE2 TYR A 24 92.217 -4.335 3.773 1.00 0.00 H new ATOM 0 HH TYR A 24 94.923 -3.452 3.359 1.00 0.00 H new ATOM 390 N VAL A 25 90.712 -2.975 10.869 1.00 0.00 N ATOM 391 CA VAL A 25 89.925 -3.063 12.132 1.00 0.00 C ATOM 392 C VAL A 25 90.615 -2.254 13.232 1.00 0.00 C ATOM 393 O VAL A 25 89.973 -1.634 14.057 1.00 0.00 O ATOM 394 CB VAL A 25 89.907 -4.549 12.489 1.00 0.00 C ATOM 395 CG1 VAL A 25 89.283 -4.734 13.873 1.00 0.00 C ATOM 396 CG2 VAL A 25 89.080 -5.311 11.452 1.00 0.00 C ATOM 0 H VAL A 25 91.086 -3.860 10.527 1.00 0.00 H new ATOM 0 HA VAL A 25 88.917 -2.662 12.022 1.00 0.00 H new ATOM 0 HB VAL A 25 90.927 -4.933 12.496 1.00 0.00 H new ATOM 0 HG11 VAL A 25 89.270 -5.794 14.128 1.00 0.00 H new ATOM 0 HG12 VAL A 25 89.871 -4.190 14.613 1.00 0.00 H new ATOM 0 HG13 VAL A 25 88.263 -4.350 13.866 1.00 0.00 H new ATOM 0 HG21 VAL A 25 89.066 -6.371 11.705 1.00 0.00 H new ATOM 0 HG22 VAL A 25 88.060 -4.926 11.446 1.00 0.00 H new ATOM 0 HG23 VAL A 25 89.523 -5.180 10.465 1.00 0.00 H new ATOM 406 N ASN A 26 91.921 -2.254 13.249 1.00 0.00 N ATOM 407 CA ASN A 26 92.655 -1.483 14.292 1.00 0.00 C ATOM 408 C ASN A 26 92.292 0.001 14.203 1.00 0.00 C ATOM 409 O ASN A 26 92.475 0.753 15.140 1.00 0.00 O ATOM 410 CB ASN A 26 94.135 -1.695 13.972 1.00 0.00 C ATOM 411 CG ASN A 26 94.736 -2.695 14.961 1.00 0.00 C ATOM 412 OD1 ASN A 26 94.958 -2.371 16.110 1.00 0.00 O ATOM 413 ND2 ASN A 26 95.009 -3.907 14.561 1.00 0.00 N ATOM 0 H ASN A 26 92.511 -2.755 12.585 1.00 0.00 H new ATOM 0 HA ASN A 26 92.406 -1.810 15.301 1.00 0.00 H new ATOM 0 HB2 ASN A 26 94.248 -2.064 12.953 1.00 0.00 H new ATOM 0 HB3 ASN A 26 94.669 -0.747 14.029 1.00 0.00 H new ATOM 0 HD21 ASN A 26 95.409 -4.582 15.213 1.00 0.00 H new ATOM 0 HD22 ASN A 26 94.823 -4.180 13.596 1.00 0.00 H new ATOM 420 N GLN A 27 91.775 0.428 13.082 1.00 0.00 N ATOM 421 CA GLN A 27 91.397 1.858 12.931 1.00 0.00 C ATOM 422 C GLN A 27 90.005 2.086 13.532 1.00 0.00 C ATOM 423 O GLN A 27 89.831 2.884 14.431 1.00 0.00 O ATOM 424 CB GLN A 27 91.414 2.097 11.414 1.00 0.00 C ATOM 425 CG GLN A 27 90.331 3.101 11.014 1.00 0.00 C ATOM 426 CD GLN A 27 90.630 4.460 11.650 1.00 0.00 C ATOM 427 OE1 GLN A 27 90.027 4.826 12.639 1.00 0.00 O ATOM 428 NE2 GLN A 27 91.542 5.227 11.120 1.00 0.00 N ATOM 0 H GLN A 27 91.599 -0.155 12.264 1.00 0.00 H new ATOM 0 HA GLN A 27 92.068 2.545 13.447 1.00 0.00 H new ATOM 0 HB2 GLN A 27 92.392 2.469 11.110 1.00 0.00 H new ATOM 0 HB3 GLN A 27 91.255 1.154 10.890 1.00 0.00 H new ATOM 0 HG2 GLN A 27 90.293 3.197 9.929 1.00 0.00 H new ATOM 0 HG3 GLN A 27 89.353 2.744 11.337 1.00 0.00 H new ATOM 0 HE21 GLN A 27 92.048 4.919 10.290 1.00 0.00 H new ATOM 0 HE22 GLN A 27 91.749 6.135 11.536 1.00 0.00 H new ATOM 437 N PHE A 28 89.015 1.387 13.046 1.00 0.00 N ATOM 438 CA PHE A 28 87.642 1.564 13.599 1.00 0.00 C ATOM 439 C PHE A 28 87.698 1.563 15.128 1.00 0.00 C ATOM 440 O PHE A 28 86.911 2.209 15.788 1.00 0.00 O ATOM 441 CB PHE A 28 86.849 0.359 13.086 1.00 0.00 C ATOM 442 CG PHE A 28 85.476 0.332 13.723 1.00 0.00 C ATOM 443 CD1 PHE A 28 85.336 0.064 15.093 1.00 0.00 C ATOM 444 CD2 PHE A 28 84.340 0.568 12.939 1.00 0.00 C ATOM 445 CE1 PHE A 28 84.063 0.032 15.674 1.00 0.00 C ATOM 446 CE2 PHE A 28 83.068 0.536 13.521 1.00 0.00 C ATOM 447 CZ PHE A 28 82.930 0.268 14.888 1.00 0.00 C ATOM 0 H PHE A 28 89.097 0.704 12.293 1.00 0.00 H new ATOM 0 HA PHE A 28 87.185 2.506 13.294 1.00 0.00 H new ATOM 0 HB2 PHE A 28 86.754 0.411 12.001 1.00 0.00 H new ATOM 0 HB3 PHE A 28 87.383 -0.563 13.316 1.00 0.00 H new ATOM 0 HD1 PHE A 28 86.211 -0.118 15.700 1.00 0.00 H new ATOM 0 HD2 PHE A 28 84.446 0.775 11.884 1.00 0.00 H new ATOM 0 HE1 PHE A 28 83.955 -0.175 16.729 1.00 0.00 H new ATOM 0 HE2 PHE A 28 82.192 0.718 12.915 1.00 0.00 H new ATOM 0 HZ PHE A 28 81.948 0.243 15.336 1.00 0.00 H new ATOM 457 N ARG A 29 88.623 0.835 15.693 1.00 0.00 N ATOM 458 CA ARG A 29 88.732 0.786 17.180 1.00 0.00 C ATOM 459 C ARG A 29 89.246 2.122 17.718 1.00 0.00 C ATOM 460 O ARG A 29 88.694 2.681 18.645 1.00 0.00 O ATOM 461 CB ARG A 29 89.738 -0.328 17.466 1.00 0.00 C ATOM 462 CG ARG A 29 89.865 -0.519 18.978 1.00 0.00 C ATOM 463 CD ARG A 29 91.081 0.257 19.491 1.00 0.00 C ATOM 464 NE ARG A 29 91.286 -0.230 20.884 1.00 0.00 N ATOM 465 CZ ARG A 29 91.667 0.600 21.815 1.00 0.00 C ATOM 466 NH1 ARG A 29 92.917 0.968 21.889 1.00 0.00 N ATOM 467 NH2 ARG A 29 90.799 1.062 22.673 1.00 0.00 N ATOM 0 H ARG A 29 89.308 0.272 15.189 1.00 0.00 H new ATOM 0 HA ARG A 29 87.770 0.601 17.658 1.00 0.00 H new ATOM 0 HB2 ARG A 29 89.413 -1.257 16.997 1.00 0.00 H new ATOM 0 HB3 ARG A 29 90.708 -0.077 17.037 1.00 0.00 H new ATOM 0 HG2 ARG A 29 88.961 -0.170 19.476 1.00 0.00 H new ATOM 0 HG3 ARG A 29 89.970 -1.578 19.214 1.00 0.00 H new ATOM 0 HD2 ARG A 29 91.959 0.069 18.873 1.00 0.00 H new ATOM 0 HD3 ARG A 29 90.901 1.332 19.471 1.00 0.00 H new ATOM 0 HE ARG A 29 91.128 -1.212 21.109 1.00 0.00 H new ATOM 0 HH11 ARG A 29 93.596 0.606 21.219 1.00 0.00 H new ATOM 0 HH12 ARG A 29 93.215 1.617 22.617 1.00 0.00 H new ATOM 0 HH21 ARG A 29 89.822 0.774 22.616 1.00 0.00 H new ATOM 0 HH22 ARG A 29 91.097 1.711 23.401 1.00 0.00 H new ATOM 481 N SER A 30 90.301 2.637 17.145 1.00 0.00 N ATOM 482 CA SER A 30 90.853 3.937 17.623 1.00 0.00 C ATOM 483 C SER A 30 89.713 4.911 17.921 1.00 0.00 C ATOM 484 O SER A 30 89.805 5.744 18.800 1.00 0.00 O ATOM 485 CB SER A 30 91.711 4.450 16.467 1.00 0.00 C ATOM 486 OG SER A 30 93.049 4.002 16.640 1.00 0.00 O ATOM 0 H SER A 30 90.804 2.213 16.366 1.00 0.00 H new ATOM 0 HA SER A 30 91.430 3.832 18.542 1.00 0.00 H new ATOM 0 HB2 SER A 30 91.315 4.090 15.517 1.00 0.00 H new ATOM 0 HB3 SER A 30 91.682 5.539 16.433 1.00 0.00 H new ATOM 0 HG SER A 30 93.602 4.328 15.899 1.00 0.00 H new ATOM 492 N LEU A 31 88.633 4.806 17.196 1.00 0.00 N ATOM 493 CA LEU A 31 87.481 5.717 17.437 1.00 0.00 C ATOM 494 C LEU A 31 86.483 5.053 18.389 1.00 0.00 C ATOM 495 O LEU A 31 85.880 5.698 19.224 1.00 0.00 O ATOM 496 CB LEU A 31 86.850 5.932 16.060 1.00 0.00 C ATOM 497 CG LEU A 31 87.924 6.380 15.067 1.00 0.00 C ATOM 498 CD1 LEU A 31 87.433 6.139 13.639 1.00 0.00 C ATOM 499 CD2 LEU A 31 88.205 7.872 15.261 1.00 0.00 C ATOM 0 H LEU A 31 88.500 4.127 16.446 1.00 0.00 H new ATOM 0 HA LEU A 31 87.783 6.659 17.895 1.00 0.00 H new ATOM 0 HB2 LEU A 31 86.383 5.009 15.715 1.00 0.00 H new ATOM 0 HB3 LEU A 31 86.063 6.683 16.123 1.00 0.00 H new ATOM 0 HG LEU A 31 88.837 5.810 15.239 1.00 0.00 H new ATOM 0 HD11 LEU A 31 88.199 6.458 12.932 1.00 0.00 H new ATOM 0 HD12 LEU A 31 87.230 5.077 13.498 1.00 0.00 H new ATOM 0 HD13 LEU A 31 86.520 6.709 13.467 1.00 0.00 H new ATOM 0 HD21 LEU A 31 88.970 8.193 14.554 1.00 0.00 H new ATOM 0 HD22 LEU A 31 87.291 8.440 15.089 1.00 0.00 H new ATOM 0 HD23 LEU A 31 88.555 8.047 16.278 1.00 0.00 H new ATOM 511 N GLN A 32 86.307 3.765 18.271 1.00 0.00 N ATOM 512 CA GLN A 32 85.352 3.054 19.166 1.00 0.00 C ATOM 513 C GLN A 32 86.089 2.504 20.391 1.00 0.00 C ATOM 514 O GLN A 32 87.018 1.732 20.260 1.00 0.00 O ATOM 515 CB GLN A 32 84.794 1.908 18.320 1.00 0.00 C ATOM 516 CG GLN A 32 83.284 2.089 18.146 1.00 0.00 C ATOM 517 CD GLN A 32 82.643 2.362 19.508 1.00 0.00 C ATOM 518 OE1 GLN A 32 82.616 1.499 20.364 1.00 0.00 O ATOM 519 NE2 GLN A 32 82.121 3.534 19.746 1.00 0.00 N ATOM 0 H GLN A 32 86.785 3.174 17.591 1.00 0.00 H new ATOM 0 HA GLN A 32 84.564 3.710 19.535 1.00 0.00 H new ATOM 0 HB2 GLN A 32 85.283 1.889 17.346 1.00 0.00 H new ATOM 0 HB3 GLN A 32 85.003 0.952 18.800 1.00 0.00 H new ATOM 0 HG2 GLN A 32 83.082 2.916 17.465 1.00 0.00 H new ATOM 0 HG3 GLN A 32 82.849 1.195 17.700 1.00 0.00 H new ATOM 0 HE21 GLN A 32 82.144 4.258 19.028 1.00 0.00 H new ATOM 0 HE22 GLN A 32 81.690 3.726 20.650 1.00 0.00 H new ATOM 528 N PRO A 33 85.647 2.920 21.548 1.00 0.00 N ATOM 529 CA PRO A 33 86.277 2.457 22.809 1.00 0.00 C ATOM 530 C PRO A 33 86.312 0.927 22.853 1.00 0.00 C ATOM 531 O PRO A 33 87.176 0.333 23.468 1.00 0.00 O ATOM 532 CB PRO A 33 85.367 3.013 23.904 1.00 0.00 C ATOM 533 CG PRO A 33 84.606 4.131 23.264 1.00 0.00 C ATOM 534 CD PRO A 33 84.536 3.845 21.786 1.00 0.00 C ATOM 0 HA PRO A 33 87.309 2.792 22.917 1.00 0.00 H new ATOM 0 HB2 PRO A 33 84.692 2.244 24.281 1.00 0.00 H new ATOM 0 HB3 PRO A 33 85.949 3.371 24.754 1.00 0.00 H new ATOM 0 HG2 PRO A 33 83.605 4.205 23.688 1.00 0.00 H new ATOM 0 HG3 PRO A 33 85.101 5.085 23.447 1.00 0.00 H new ATOM 0 HD2 PRO A 33 83.580 3.399 21.511 1.00 0.00 H new ATOM 0 HD3 PRO A 33 84.643 4.757 21.198 1.00 0.00 H new ATOM 542 N ASP A 34 85.379 0.286 22.205 1.00 0.00 N ATOM 543 CA ASP A 34 85.354 -1.204 22.206 1.00 0.00 C ATOM 544 C ASP A 34 86.157 -1.748 21.021 1.00 0.00 C ATOM 545 O ASP A 34 86.208 -1.138 19.971 1.00 0.00 O ATOM 546 CB ASP A 34 83.878 -1.575 22.068 1.00 0.00 C ATOM 547 CG ASP A 34 83.316 -1.955 23.439 1.00 0.00 C ATOM 548 OD1 ASP A 34 83.164 -1.066 24.262 1.00 0.00 O ATOM 549 OD2 ASP A 34 83.047 -3.127 23.644 1.00 0.00 O ATOM 0 H ASP A 34 84.631 0.731 21.673 1.00 0.00 H new ATOM 0 HA ASP A 34 85.797 -1.624 23.109 1.00 0.00 H new ATOM 0 HB2 ASP A 34 83.319 -0.736 21.654 1.00 0.00 H new ATOM 0 HB3 ASP A 34 83.765 -2.407 21.374 1.00 0.00 H new ATOM 554 N PRO A 35 86.762 -2.886 21.232 1.00 0.00 N ATOM 555 CA PRO A 35 87.573 -3.526 20.167 1.00 0.00 C ATOM 556 C PRO A 35 86.674 -3.989 19.017 1.00 0.00 C ATOM 557 O PRO A 35 87.118 -4.164 17.900 1.00 0.00 O ATOM 558 CB PRO A 35 88.222 -4.723 20.862 1.00 0.00 C ATOM 559 CG PRO A 35 87.399 -4.974 22.088 1.00 0.00 C ATOM 560 CD PRO A 35 86.744 -3.672 22.468 1.00 0.00 C ATOM 0 HA PRO A 35 88.307 -2.849 19.731 1.00 0.00 H new ATOM 0 HB2 PRO A 35 88.231 -5.597 20.210 1.00 0.00 H new ATOM 0 HB3 PRO A 35 89.259 -4.510 21.123 1.00 0.00 H new ATOM 0 HG2 PRO A 35 86.647 -5.739 21.895 1.00 0.00 H new ATOM 0 HG3 PRO A 35 88.025 -5.340 22.902 1.00 0.00 H new ATOM 0 HD2 PRO A 35 85.726 -3.828 22.826 1.00 0.00 H new ATOM 0 HD3 PRO A 35 87.290 -3.170 23.267 1.00 0.00 H new ATOM 568 N SER A 36 85.410 -4.190 19.281 1.00 0.00 N ATOM 569 CA SER A 36 84.486 -4.640 18.202 1.00 0.00 C ATOM 570 C SER A 36 83.085 -4.063 18.428 1.00 0.00 C ATOM 571 O SER A 36 82.201 -4.732 18.927 1.00 0.00 O ATOM 572 CB SER A 36 84.463 -6.164 18.312 1.00 0.00 C ATOM 573 OG SER A 36 84.927 -6.729 17.092 1.00 0.00 O ATOM 0 H SER A 36 84.979 -4.062 20.197 1.00 0.00 H new ATOM 0 HA SER A 36 84.809 -4.307 17.216 1.00 0.00 H new ATOM 0 HB2 SER A 36 85.092 -6.490 19.140 1.00 0.00 H new ATOM 0 HB3 SER A 36 83.451 -6.510 18.525 1.00 0.00 H new ATOM 0 HG SER A 36 84.915 -7.707 17.159 1.00 0.00 H new ATOM 579 N SER A 37 82.878 -2.826 18.067 1.00 0.00 N ATOM 580 CA SER A 37 81.535 -2.206 18.263 1.00 0.00 C ATOM 581 C SER A 37 81.066 -1.534 16.969 1.00 0.00 C ATOM 582 O SER A 37 81.532 -1.845 15.891 1.00 0.00 O ATOM 583 CB SER A 37 81.738 -1.164 19.361 1.00 0.00 C ATOM 584 OG SER A 37 81.092 -1.601 20.549 1.00 0.00 O ATOM 0 H SER A 37 83.580 -2.218 17.645 1.00 0.00 H new ATOM 0 HA SER A 37 80.777 -2.942 18.531 1.00 0.00 H new ATOM 0 HB2 SER A 37 82.802 -1.016 19.545 1.00 0.00 H new ATOM 0 HB3 SER A 37 81.332 -0.203 19.045 1.00 0.00 H new ATOM 0 HG SER A 37 81.083 -0.872 21.204 1.00 0.00 H new ATOM 590 N PHE A 38 80.149 -0.613 17.072 1.00 0.00 N ATOM 591 CA PHE A 38 79.646 0.086 15.855 1.00 0.00 C ATOM 592 C PHE A 38 79.964 1.582 15.944 1.00 0.00 C ATOM 593 O PHE A 38 79.707 2.219 16.947 1.00 0.00 O ATOM 594 CB PHE A 38 78.132 -0.135 15.869 1.00 0.00 C ATOM 595 CG PHE A 38 77.552 0.455 17.131 1.00 0.00 C ATOM 596 CD1 PHE A 38 77.181 1.805 17.168 1.00 0.00 C ATOM 597 CD2 PHE A 38 77.386 -0.347 18.266 1.00 0.00 C ATOM 598 CE1 PHE A 38 76.645 2.352 18.338 1.00 0.00 C ATOM 599 CE2 PHE A 38 76.850 0.200 19.438 1.00 0.00 C ATOM 600 CZ PHE A 38 76.479 1.550 19.474 1.00 0.00 C ATOM 0 H PHE A 38 79.724 -0.313 17.949 1.00 0.00 H new ATOM 0 HA PHE A 38 80.106 -0.290 14.941 1.00 0.00 H new ATOM 0 HB2 PHE A 38 77.677 0.330 14.994 1.00 0.00 H new ATOM 0 HB3 PHE A 38 77.908 -1.200 15.816 1.00 0.00 H new ATOM 0 HD1 PHE A 38 77.309 2.424 16.292 1.00 0.00 H new ATOM 0 HD2 PHE A 38 77.671 -1.388 18.238 1.00 0.00 H new ATOM 0 HE1 PHE A 38 76.359 3.393 18.366 1.00 0.00 H new ATOM 0 HE2 PHE A 38 76.723 -0.419 20.314 1.00 0.00 H new ATOM 0 HZ PHE A 38 76.065 1.972 20.378 1.00 0.00 H new ATOM 610 N ILE A 39 80.511 2.151 14.907 1.00 0.00 N ATOM 611 CA ILE A 39 80.830 3.607 14.944 1.00 0.00 C ATOM 612 C ILE A 39 79.632 4.403 14.422 1.00 0.00 C ATOM 613 O ILE A 39 78.813 3.895 13.685 1.00 0.00 O ATOM 614 CB ILE A 39 82.046 3.775 14.025 1.00 0.00 C ATOM 615 CG1 ILE A 39 83.322 3.457 14.808 1.00 0.00 C ATOM 616 CG2 ILE A 39 82.120 5.215 13.511 1.00 0.00 C ATOM 617 CD1 ILE A 39 84.496 3.310 13.837 1.00 0.00 C ATOM 0 H ILE A 39 80.751 1.674 14.038 1.00 0.00 H new ATOM 0 HA ILE A 39 81.043 3.968 15.950 1.00 0.00 H new ATOM 0 HB ILE A 39 81.949 3.095 13.179 1.00 0.00 H new ATOM 0 HG12 ILE A 39 83.528 4.251 15.526 1.00 0.00 H new ATOM 0 HG13 ILE A 39 83.191 2.537 15.378 1.00 0.00 H new ATOM 0 HG21 ILE A 39 82.987 5.325 12.859 1.00 0.00 H new ATOM 0 HG22 ILE A 39 81.214 5.449 12.952 1.00 0.00 H new ATOM 0 HG23 ILE A 39 82.212 5.898 14.355 1.00 0.00 H new ATOM 0 HD11 ILE A 39 85.404 3.084 14.396 1.00 0.00 H new ATOM 0 HD12 ILE A 39 84.290 2.501 13.137 1.00 0.00 H new ATOM 0 HD13 ILE A 39 84.631 4.241 13.286 1.00 0.00 H new ATOM 629 N SER A 40 79.520 5.645 14.797 1.00 0.00 N ATOM 630 CA SER A 40 78.370 6.458 14.315 1.00 0.00 C ATOM 631 C SER A 40 78.489 6.696 12.807 1.00 0.00 C ATOM 632 O SER A 40 79.318 6.112 12.140 1.00 0.00 O ATOM 633 CB SER A 40 78.464 7.778 15.078 1.00 0.00 C ATOM 634 OG SER A 40 77.333 7.909 15.928 1.00 0.00 O ATOM 0 H SER A 40 80.171 6.131 15.413 1.00 0.00 H new ATOM 0 HA SER A 40 77.414 5.962 14.484 1.00 0.00 H new ATOM 0 HB2 SER A 40 79.381 7.807 15.666 1.00 0.00 H new ATOM 0 HB3 SER A 40 78.507 8.613 14.379 1.00 0.00 H new ATOM 0 HG SER A 40 77.390 8.754 16.421 1.00 0.00 H new ATOM 640 N GLY A 41 77.667 7.552 12.267 1.00 0.00 N ATOM 641 CA GLY A 41 77.732 7.831 10.805 1.00 0.00 C ATOM 642 C GLY A 41 78.725 8.964 10.552 1.00 0.00 C ATOM 643 O GLY A 41 79.874 8.734 10.234 1.00 0.00 O ATOM 0 H GLY A 41 76.952 8.071 12.776 1.00 0.00 H new ATOM 0 HA2 GLY A 41 78.039 6.935 10.265 1.00 0.00 H new ATOM 0 HA3 GLY A 41 76.746 8.106 10.431 1.00 0.00 H new ATOM 647 N SER A 42 78.295 10.187 10.696 1.00 0.00 N ATOM 648 CA SER A 42 79.220 11.333 10.466 1.00 0.00 C ATOM 649 C SER A 42 80.517 11.127 11.251 1.00 0.00 C ATOM 650 O SER A 42 81.555 11.650 10.898 1.00 0.00 O ATOM 651 CB SER A 42 78.469 12.560 10.981 1.00 0.00 C ATOM 652 OG SER A 42 77.507 12.960 10.013 1.00 0.00 O ATOM 0 H SER A 42 77.344 10.443 10.963 1.00 0.00 H new ATOM 0 HA SER A 42 79.496 11.438 9.417 1.00 0.00 H new ATOM 0 HB2 SER A 42 77.977 12.330 11.926 1.00 0.00 H new ATOM 0 HB3 SER A 42 79.168 13.374 11.175 1.00 0.00 H new ATOM 0 HG SER A 42 77.021 13.746 10.340 1.00 0.00 H new ATOM 658 N VAL A 43 80.467 10.369 12.312 1.00 0.00 N ATOM 659 CA VAL A 43 81.702 10.130 13.112 1.00 0.00 C ATOM 660 C VAL A 43 82.738 9.393 12.258 1.00 0.00 C ATOM 661 O VAL A 43 83.895 9.762 12.215 1.00 0.00 O ATOM 662 CB VAL A 43 81.250 9.263 14.289 1.00 0.00 C ATOM 663 CG1 VAL A 43 82.461 8.556 14.905 1.00 0.00 C ATOM 664 CG2 VAL A 43 80.589 10.149 15.348 1.00 0.00 C ATOM 0 H VAL A 43 79.627 9.906 12.659 1.00 0.00 H new ATOM 0 HA VAL A 43 82.168 11.055 13.451 1.00 0.00 H new ATOM 0 HB VAL A 43 80.537 8.518 13.935 1.00 0.00 H new ATOM 0 HG11 VAL A 43 82.135 7.940 15.743 1.00 0.00 H new ATOM 0 HG12 VAL A 43 82.935 7.925 14.153 1.00 0.00 H new ATOM 0 HG13 VAL A 43 83.176 9.299 15.258 1.00 0.00 H new ATOM 0 HG21 VAL A 43 80.266 9.533 16.188 1.00 0.00 H new ATOM 0 HG22 VAL A 43 81.304 10.893 15.698 1.00 0.00 H new ATOM 0 HG23 VAL A 43 79.725 10.652 14.914 1.00 0.00 H new ATOM 674 N ALA A 44 82.331 8.358 11.576 1.00 0.00 N ATOM 675 CA ALA A 44 83.295 7.606 10.722 1.00 0.00 C ATOM 676 C ALA A 44 83.577 8.391 9.440 1.00 0.00 C ATOM 677 O ALA A 44 84.712 8.573 9.049 1.00 0.00 O ATOM 678 CB ALA A 44 82.601 6.281 10.406 1.00 0.00 C ATOM 0 H ALA A 44 81.376 8.001 11.573 1.00 0.00 H new ATOM 0 HA ALA A 44 84.254 7.448 11.216 1.00 0.00 H new ATOM 0 HB1 ALA A 44 83.251 5.671 9.779 1.00 0.00 H new ATOM 0 HB2 ALA A 44 82.390 5.750 11.334 1.00 0.00 H new ATOM 0 HB3 ALA A 44 81.667 6.476 9.879 1.00 0.00 H new ATOM 684 N LYS A 45 82.552 8.873 8.788 1.00 0.00 N ATOM 685 CA LYS A 45 82.773 9.659 7.543 1.00 0.00 C ATOM 686 C LYS A 45 83.675 10.853 7.854 1.00 0.00 C ATOM 687 O LYS A 45 84.260 11.456 6.977 1.00 0.00 O ATOM 688 CB LYS A 45 81.381 10.128 7.118 1.00 0.00 C ATOM 689 CG LYS A 45 81.075 9.602 5.715 1.00 0.00 C ATOM 690 CD LYS A 45 80.242 10.635 4.953 1.00 0.00 C ATOM 691 CE LYS A 45 81.096 11.274 3.856 1.00 0.00 C ATOM 692 NZ LYS A 45 80.176 12.208 3.149 1.00 0.00 N ATOM 0 H LYS A 45 81.577 8.756 9.063 1.00 0.00 H new ATOM 0 HA LYS A 45 83.257 9.081 6.756 1.00 0.00 H new ATOM 0 HB2 LYS A 45 80.633 9.769 7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 45 81.333 11.217 7.129 1.00 0.00 H new ATOM 0 HG2 LYS A 45 82.003 9.401 5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 45 80.534 8.658 5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 45 79.365 10.158 4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 45 79.879 11.401 5.638 1.00 0.00 H new ATOM 0 HE2 LYS A 45 81.949 11.804 4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 45 81.494 10.521 3.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 80.689 12.686 2.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 79.377 11.674 2.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 79.819 12.918 3.820 1.00 0.00 H new ATOM 706 N ASN A 46 83.788 11.191 9.108 1.00 0.00 N ATOM 707 CA ASN A 46 84.647 12.342 9.510 1.00 0.00 C ATOM 708 C ASN A 46 86.100 12.093 9.101 1.00 0.00 C ATOM 709 O ASN A 46 86.712 12.895 8.424 1.00 0.00 O ATOM 710 CB ASN A 46 84.533 12.395 11.033 1.00 0.00 C ATOM 711 CG ASN A 46 84.699 13.839 11.512 1.00 0.00 C ATOM 712 OD1 ASN A 46 85.269 14.659 10.819 1.00 0.00 O ATOM 713 ND2 ASN A 46 84.221 14.187 12.675 1.00 0.00 N ATOM 0 H ASN A 46 83.318 10.716 9.879 1.00 0.00 H new ATOM 0 HA ASN A 46 84.338 13.273 9.034 1.00 0.00 H new ATOM 0 HB2 ASN A 46 83.565 12.006 11.349 1.00 0.00 H new ATOM 0 HB3 ASN A 46 85.295 11.761 11.487 1.00 0.00 H new ATOM 0 HD21 ASN A 46 84.326 15.147 13.003 1.00 0.00 H new ATOM 0 HD22 ASN A 46 83.743 13.499 13.256 1.00 0.00 H new ATOM 720 N PHE A 47 86.661 10.991 9.518 1.00 0.00 N ATOM 721 CA PHE A 47 88.076 10.698 9.165 1.00 0.00 C ATOM 722 C PHE A 47 88.154 9.932 7.837 1.00 0.00 C ATOM 723 O PHE A 47 89.200 9.837 7.227 1.00 0.00 O ATOM 724 CB PHE A 47 88.607 9.867 10.345 1.00 0.00 C ATOM 725 CG PHE A 47 88.427 8.390 10.084 1.00 0.00 C ATOM 726 CD1 PHE A 47 89.306 7.718 9.227 1.00 0.00 C ATOM 727 CD2 PHE A 47 87.383 7.696 10.702 1.00 0.00 C ATOM 728 CE1 PHE A 47 89.140 6.350 8.990 1.00 0.00 C ATOM 729 CE2 PHE A 47 87.216 6.329 10.466 1.00 0.00 C ATOM 730 CZ PHE A 47 88.095 5.655 9.609 1.00 0.00 C ATOM 0 H PHE A 47 86.199 10.282 10.088 1.00 0.00 H new ATOM 0 HA PHE A 47 88.670 11.600 9.016 1.00 0.00 H new ATOM 0 HB2 PHE A 47 89.663 10.087 10.505 1.00 0.00 H new ATOM 0 HB3 PHE A 47 88.082 10.146 11.258 1.00 0.00 H new ATOM 0 HD1 PHE A 47 90.112 8.256 8.749 1.00 0.00 H new ATOM 0 HD2 PHE A 47 86.705 8.217 11.362 1.00 0.00 H new ATOM 0 HE1 PHE A 47 89.818 5.830 8.329 1.00 0.00 H new ATOM 0 HE2 PHE A 47 86.410 5.793 10.944 1.00 0.00 H new ATOM 0 HZ PHE A 47 87.966 4.598 9.426 1.00 0.00 H new ATOM 740 N PHE A 48 87.055 9.392 7.381 1.00 0.00 N ATOM 741 CA PHE A 48 87.075 8.642 6.092 1.00 0.00 C ATOM 742 C PHE A 48 87.668 9.519 4.983 1.00 0.00 C ATOM 743 O PHE A 48 88.164 9.030 3.988 1.00 0.00 O ATOM 744 CB PHE A 48 85.607 8.327 5.791 1.00 0.00 C ATOM 745 CG PHE A 48 85.245 6.982 6.375 1.00 0.00 C ATOM 746 CD1 PHE A 48 85.818 6.566 7.582 1.00 0.00 C ATOM 747 CD2 PHE A 48 84.334 6.152 5.710 1.00 0.00 C ATOM 748 CE1 PHE A 48 85.482 5.319 8.123 1.00 0.00 C ATOM 749 CE2 PHE A 48 83.999 4.904 6.251 1.00 0.00 C ATOM 750 CZ PHE A 48 84.573 4.488 7.458 1.00 0.00 C ATOM 0 H PHE A 48 86.147 9.438 7.844 1.00 0.00 H new ATOM 0 HA PHE A 48 87.683 7.739 6.150 1.00 0.00 H new ATOM 0 HB2 PHE A 48 84.965 9.101 6.211 1.00 0.00 H new ATOM 0 HB3 PHE A 48 85.439 8.324 4.714 1.00 0.00 H new ATOM 0 HD1 PHE A 48 86.519 7.207 8.096 1.00 0.00 H new ATOM 0 HD2 PHE A 48 83.890 6.474 4.780 1.00 0.00 H new ATOM 0 HE1 PHE A 48 85.925 4.998 9.054 1.00 0.00 H new ATOM 0 HE2 PHE A 48 83.298 4.263 5.737 1.00 0.00 H new ATOM 0 HZ PHE A 48 84.315 3.526 7.876 1.00 0.00 H new ATOM 760 N THR A 49 87.613 10.814 5.148 1.00 0.00 N ATOM 761 CA THR A 49 88.166 11.727 4.105 1.00 0.00 C ATOM 762 C THR A 49 89.513 11.209 3.592 1.00 0.00 C ATOM 763 O THR A 49 89.899 11.465 2.469 1.00 0.00 O ATOM 764 CB THR A 49 88.342 13.073 4.809 1.00 0.00 C ATOM 765 OG1 THR A 49 88.992 13.981 3.933 1.00 0.00 O ATOM 766 CG2 THR A 49 89.188 12.886 6.071 1.00 0.00 C ATOM 0 H THR A 49 87.209 11.279 5.961 1.00 0.00 H new ATOM 0 HA THR A 49 87.510 11.800 3.238 1.00 0.00 H new ATOM 0 HB THR A 49 87.365 13.469 5.085 1.00 0.00 H new ATOM 0 HG1 THR A 49 89.104 14.845 4.382 1.00 0.00 H new ATOM 0 HG21 THR A 49 89.312 13.846 6.571 1.00 0.00 H new ATOM 0 HG22 THR A 49 88.689 12.188 6.744 1.00 0.00 H new ATOM 0 HG23 THR A 49 90.166 12.490 5.798 1.00 0.00 H new ATOM 907 N LEU A 58 83.597 9.876 -1.465 1.00 0.00 N ATOM 908 CA LEU A 58 83.005 9.367 -0.194 1.00 0.00 C ATOM 909 C LEU A 58 81.494 9.154 -0.347 1.00 0.00 C ATOM 910 O LEU A 58 80.887 8.413 0.398 1.00 0.00 O ATOM 911 CB LEU A 58 83.288 10.459 0.837 1.00 0.00 C ATOM 912 CG LEU A 58 84.798 10.603 1.032 1.00 0.00 C ATOM 913 CD1 LEU A 58 85.113 12.001 1.567 1.00 0.00 C ATOM 914 CD2 LEU A 58 85.284 9.553 2.034 1.00 0.00 C ATOM 0 HA LEU A 58 83.428 8.405 0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 58 82.862 11.406 0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 58 82.811 10.210 1.785 1.00 0.00 H new ATOM 0 HG LEU A 58 85.303 10.457 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 58 86.189 12.103 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 58 84.766 12.750 0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 58 84.608 12.147 2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 58 86.360 9.654 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 58 84.778 9.700 2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 58 85.060 8.556 1.654 1.00 0.00 H new ATOM 926 N SER A 59 80.881 9.800 -1.300 1.00 0.00 N ATOM 927 CA SER A 59 79.411 9.630 -1.485 1.00 0.00 C ATOM 928 C SER A 59 79.076 8.172 -1.812 1.00 0.00 C ATOM 929 O SER A 59 78.162 7.598 -1.255 1.00 0.00 O ATOM 930 CB SER A 59 79.052 10.538 -2.661 1.00 0.00 C ATOM 931 OG SER A 59 78.714 11.828 -2.172 1.00 0.00 O ATOM 0 H SER A 59 81.332 10.437 -1.957 1.00 0.00 H new ATOM 0 HA SER A 59 78.853 9.886 -0.584 1.00 0.00 H new ATOM 0 HB2 SER A 59 79.892 10.607 -3.352 1.00 0.00 H new ATOM 0 HB3 SER A 59 78.215 10.117 -3.218 1.00 0.00 H new ATOM 0 HG SER A 59 78.485 12.413 -2.924 1.00 0.00 H new ATOM 937 N TYR A 60 79.803 7.566 -2.712 1.00 0.00 N ATOM 938 CA TYR A 60 79.511 6.148 -3.068 1.00 0.00 C ATOM 939 C TYR A 60 80.166 5.199 -2.054 1.00 0.00 C ATOM 940 O TYR A 60 79.628 4.159 -1.727 1.00 0.00 O ATOM 941 CB TYR A 60 80.080 5.964 -4.486 1.00 0.00 C ATOM 942 CG TYR A 60 81.468 5.360 -4.442 1.00 0.00 C ATOM 943 CD1 TYR A 60 81.623 3.972 -4.356 1.00 0.00 C ATOM 944 CD2 TYR A 60 82.595 6.189 -4.493 1.00 0.00 C ATOM 945 CE1 TYR A 60 82.904 3.411 -4.318 1.00 0.00 C ATOM 946 CE2 TYR A 60 83.878 5.628 -4.458 1.00 0.00 C ATOM 947 CZ TYR A 60 84.032 4.239 -4.370 1.00 0.00 C ATOM 948 OH TYR A 60 85.296 3.687 -4.337 1.00 0.00 O ATOM 0 H TYR A 60 80.583 7.990 -3.214 1.00 0.00 H new ATOM 0 HA TYR A 60 78.446 5.919 -3.044 1.00 0.00 H new ATOM 0 HB2 TYR A 60 79.418 5.321 -5.066 1.00 0.00 H new ATOM 0 HB3 TYR A 60 80.115 6.927 -4.995 1.00 0.00 H new ATOM 0 HD1 TYR A 60 80.753 3.333 -4.319 1.00 0.00 H new ATOM 0 HD2 TYR A 60 82.475 7.260 -4.559 1.00 0.00 H new ATOM 0 HE1 TYR A 60 83.023 2.340 -4.249 1.00 0.00 H new ATOM 0 HE2 TYR A 60 84.748 6.266 -4.499 1.00 0.00 H new ATOM 0 HH TYR A 60 85.961 4.398 -4.222 1.00 0.00 H new ATOM 958 N ILE A 61 81.318 5.551 -1.552 1.00 0.00 N ATOM 959 CA ILE A 61 81.998 4.671 -0.558 1.00 0.00 C ATOM 960 C ILE A 61 81.081 4.441 0.646 1.00 0.00 C ATOM 961 O ILE A 61 80.891 3.327 1.093 1.00 0.00 O ATOM 962 CB ILE A 61 83.249 5.441 -0.134 1.00 0.00 C ATOM 963 CG1 ILE A 61 84.270 5.423 -1.274 1.00 0.00 C ATOM 964 CG2 ILE A 61 83.857 4.781 1.104 1.00 0.00 C ATOM 965 CD1 ILE A 61 84.615 3.975 -1.627 1.00 0.00 C ATOM 0 H ILE A 61 81.818 6.409 -1.786 1.00 0.00 H new ATOM 0 HA ILE A 61 82.244 3.692 -0.970 1.00 0.00 H new ATOM 0 HB ILE A 61 82.981 6.472 0.097 1.00 0.00 H new ATOM 0 HG12 ILE A 61 83.865 5.935 -2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 61 85.171 5.961 -0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 61 84.749 5.329 1.407 1.00 0.00 H new ATOM 0 HG22 ILE A 61 83.130 4.792 1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 61 84.126 3.750 0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 61 85.342 3.962 -2.439 1.00 0.00 H new ATOM 0 HD12 ILE A 61 85.037 3.478 -0.754 1.00 0.00 H new ATOM 0 HD13 ILE A 61 83.712 3.452 -1.940 1.00 0.00 H new ATOM 977 N TRP A 62 80.511 5.492 1.169 1.00 0.00 N ATOM 978 CA TRP A 62 79.602 5.350 2.342 1.00 0.00 C ATOM 979 C TRP A 62 78.291 4.688 1.910 1.00 0.00 C ATOM 980 O TRP A 62 77.727 3.882 2.624 1.00 0.00 O ATOM 981 CB TRP A 62 79.360 6.784 2.816 1.00 0.00 C ATOM 982 CG TRP A 62 78.159 6.831 3.707 1.00 0.00 C ATOM 983 CD1 TRP A 62 76.899 7.097 3.294 1.00 0.00 C ATOM 984 CD2 TRP A 62 78.083 6.618 5.145 1.00 0.00 C ATOM 985 NE1 TRP A 62 76.053 7.059 4.389 1.00 0.00 N ATOM 986 CE2 TRP A 62 76.736 6.768 5.553 1.00 0.00 C ATOM 987 CE3 TRP A 62 79.043 6.313 6.127 1.00 0.00 C ATOM 988 CZ2 TRP A 62 76.355 6.620 6.887 1.00 0.00 C ATOM 989 CZ3 TRP A 62 78.662 6.163 7.471 1.00 0.00 C ATOM 990 CH2 TRP A 62 77.321 6.317 7.850 1.00 0.00 C ATOM 0 H TRP A 62 80.636 6.447 0.833 1.00 0.00 H new ATOM 0 HA TRP A 62 80.023 4.726 3.131 1.00 0.00 H new ATOM 0 HB2 TRP A 62 80.235 7.152 3.352 1.00 0.00 H new ATOM 0 HB3 TRP A 62 79.213 7.440 1.958 1.00 0.00 H new ATOM 0 HD1 TRP A 62 76.602 7.305 2.277 1.00 0.00 H new ATOM 0 HE1 TRP A 62 75.048 7.226 4.342 1.00 0.00 H new ATOM 0 HE3 TRP A 62 80.079 6.193 5.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 75.320 6.739 7.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 79.407 5.928 8.217 1.00 0.00 H new ATOM 0 HH2 TRP A 62 77.035 6.202 8.885 1.00 0.00 H new ATOM 1001 N GLU A 63 77.804 5.019 0.746 1.00 0.00 N ATOM 1002 CA GLU A 63 76.532 4.405 0.270 1.00 0.00 C ATOM 1003 C GLU A 63 76.597 2.884 0.427 1.00 0.00 C ATOM 1004 O GLU A 63 75.607 2.234 0.695 1.00 0.00 O ATOM 1005 CB GLU A 63 76.431 4.791 -1.207 1.00 0.00 C ATOM 1006 CG GLU A 63 75.029 5.326 -1.502 1.00 0.00 C ATOM 1007 CD GLU A 63 74.874 5.552 -3.008 1.00 0.00 C ATOM 1008 OE1 GLU A 63 75.732 6.203 -3.581 1.00 0.00 O ATOM 1009 OE2 GLU A 63 73.900 5.069 -3.562 1.00 0.00 O ATOM 0 H GLU A 63 78.231 5.687 0.104 1.00 0.00 H new ATOM 0 HA GLU A 63 75.667 4.749 0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 63 77.178 5.547 -1.448 1.00 0.00 H new ATOM 0 HB3 GLU A 63 76.640 3.925 -1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 63 74.277 4.619 -1.151 1.00 0.00 H new ATOM 0 HG3 GLU A 63 74.864 6.260 -0.965 1.00 0.00 H new ATOM 1016 N LEU A 64 77.760 2.314 0.266 1.00 0.00 N ATOM 1017 CA LEU A 64 77.892 0.835 0.411 1.00 0.00 C ATOM 1018 C LEU A 64 78.223 0.477 1.863 1.00 0.00 C ATOM 1019 O LEU A 64 77.880 -0.584 2.344 1.00 0.00 O ATOM 1020 CB LEU A 64 79.048 0.446 -0.512 1.00 0.00 C ATOM 1021 CG LEU A 64 78.766 0.949 -1.928 1.00 0.00 C ATOM 1022 CD1 LEU A 64 80.082 1.357 -2.593 1.00 0.00 C ATOM 1023 CD2 LEU A 64 78.108 -0.166 -2.744 1.00 0.00 C ATOM 0 H LEU A 64 78.624 2.807 0.041 1.00 0.00 H new ATOM 0 HA LEU A 64 76.972 0.311 0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 64 79.981 0.873 -0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 64 79.173 -0.637 -0.518 1.00 0.00 H new ATOM 0 HG LEU A 64 78.098 1.809 -1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 64 79.883 1.716 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.553 2.150 -2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 64 80.749 0.496 -2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 64 77.907 0.192 -3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 64 78.776 -1.026 -2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 64 77.172 -0.460 -2.270 1.00 0.00 H new ATOM 1035 N SER A 65 78.886 1.356 2.563 1.00 0.00 N ATOM 1036 CA SER A 65 79.239 1.065 3.983 1.00 0.00 C ATOM 1037 C SER A 65 77.966 0.881 4.814 1.00 0.00 C ATOM 1038 O SER A 65 77.948 0.156 5.788 1.00 0.00 O ATOM 1039 CB SER A 65 80.018 2.292 4.457 1.00 0.00 C ATOM 1040 OG SER A 65 80.650 1.997 5.696 1.00 0.00 O ATOM 0 H SER A 65 79.199 2.262 2.214 1.00 0.00 H new ATOM 0 HA SER A 65 79.822 0.150 4.086 1.00 0.00 H new ATOM 0 HB2 SER A 65 80.763 2.574 3.713 1.00 0.00 H new ATOM 0 HB3 SER A 65 79.345 3.142 4.572 1.00 0.00 H new ATOM 0 HG SER A 65 81.152 2.781 6.002 1.00 0.00 H new ATOM 1046 N ASP A 66 76.901 1.533 4.435 1.00 0.00 N ATOM 1047 CA ASP A 66 75.628 1.395 5.200 1.00 0.00 C ATOM 1048 C ASP A 66 74.634 0.540 4.413 1.00 0.00 C ATOM 1049 O ASP A 66 74.796 0.313 3.231 1.00 0.00 O ATOM 1050 CB ASP A 66 75.103 2.823 5.357 1.00 0.00 C ATOM 1051 CG ASP A 66 74.539 3.008 6.767 1.00 0.00 C ATOM 1052 OD1 ASP A 66 75.288 2.822 7.712 1.00 0.00 O ATOM 1053 OD2 ASP A 66 73.368 3.332 6.878 1.00 0.00 O ATOM 0 H ASP A 66 76.857 2.156 3.628 1.00 0.00 H new ATOM 0 HA ASP A 66 75.774 0.908 6.164 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.906 3.538 5.178 1.00 0.00 H new ATOM 0 HB3 ASP A 66 74.329 3.021 4.616 1.00 0.00 H new ATOM 1058 N ALA A 67 73.604 0.064 5.058 1.00 0.00 N ATOM 1059 CA ALA A 67 72.607 -0.773 4.341 1.00 0.00 C ATOM 1060 C ALA A 67 71.194 -0.472 4.849 1.00 0.00 C ATOM 1061 O ALA A 67 70.274 -1.240 4.642 1.00 0.00 O ATOM 1062 CB ALA A 67 72.996 -2.218 4.658 1.00 0.00 C ATOM 0 H ALA A 67 73.412 0.219 6.048 1.00 0.00 H new ATOM 0 HA ALA A 67 72.604 -0.579 3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 67 72.304 -2.898 4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 67 74.009 -2.408 4.303 1.00 0.00 H new ATOM 0 HB3 ALA A 67 72.953 -2.378 5.735 1.00 0.00 H new ATOM 1068 N ASP A 68 71.012 0.638 5.511 1.00 0.00 N ATOM 1069 CA ASP A 68 69.657 0.983 6.029 1.00 0.00 C ATOM 1070 C ASP A 68 69.675 2.418 6.542 1.00 0.00 C ATOM 1071 O ASP A 68 68.902 2.798 7.399 1.00 0.00 O ATOM 1072 CB ASP A 68 69.403 -0.001 7.173 1.00 0.00 C ATOM 1073 CG ASP A 68 70.652 -0.097 8.052 1.00 0.00 C ATOM 1074 OD1 ASP A 68 71.446 0.829 8.022 1.00 0.00 O ATOM 1075 OD2 ASP A 68 70.792 -1.094 8.740 1.00 0.00 O ATOM 0 H ASP A 68 71.742 1.320 5.716 1.00 0.00 H new ATOM 0 HA ASP A 68 68.879 0.914 5.269 1.00 0.00 H new ATOM 0 HB2 ASP A 68 68.551 0.329 7.768 1.00 0.00 H new ATOM 0 HB3 ASP A 68 69.151 -0.983 6.773 1.00 0.00 H new ATOM 1080 N CYS A 69 70.572 3.207 6.021 1.00 0.00 N ATOM 1081 CA CYS A 69 70.694 4.617 6.454 1.00 0.00 C ATOM 1082 C CYS A 69 70.460 4.732 7.959 1.00 0.00 C ATOM 1083 O CYS A 69 69.967 5.727 8.450 1.00 0.00 O ATOM 1084 CB CYS A 69 69.627 5.383 5.673 1.00 0.00 C ATOM 1085 SG CYS A 69 70.391 6.792 4.832 1.00 0.00 S ATOM 0 H CYS A 69 71.236 2.924 5.300 1.00 0.00 H new ATOM 0 HA CYS A 69 71.689 5.018 6.260 1.00 0.00 H new ATOM 0 HB2 CYS A 69 69.151 4.725 4.945 1.00 0.00 H new ATOM 0 HB3 CYS A 69 68.845 5.729 6.349 1.00 0.00 H new ATOM 0 HG CYS A 69 69.485 7.443 4.165 1.00 0.00 H new ATOM 1091 N ASP A 70 70.814 3.717 8.692 1.00 0.00 N ATOM 1092 CA ASP A 70 70.619 3.759 10.168 1.00 0.00 C ATOM 1093 C ASP A 70 71.490 4.858 10.778 1.00 0.00 C ATOM 1094 O ASP A 70 71.356 5.201 11.936 1.00 0.00 O ATOM 1095 CB ASP A 70 71.059 2.382 10.668 1.00 0.00 C ATOM 1096 CG ASP A 70 72.546 2.183 10.373 1.00 0.00 C ATOM 1097 OD1 ASP A 70 73.008 2.709 9.374 1.00 0.00 O ATOM 1098 OD2 ASP A 70 73.199 1.508 11.152 1.00 0.00 O ATOM 0 H ASP A 70 71.231 2.858 8.334 1.00 0.00 H new ATOM 0 HA ASP A 70 69.588 3.978 10.445 1.00 0.00 H new ATOM 0 HB2 ASP A 70 70.875 2.297 11.739 1.00 0.00 H new ATOM 0 HB3 ASP A 70 70.473 1.602 10.181 1.00 0.00 H new ATOM 1103 N GLY A 71 72.382 5.416 10.005 1.00 0.00 N ATOM 1104 CA GLY A 71 73.260 6.496 10.538 1.00 0.00 C ATOM 1105 C GLY A 71 74.382 5.877 11.373 1.00 0.00 C ATOM 1106 O GLY A 71 75.112 6.568 12.055 1.00 0.00 O ATOM 0 H GLY A 71 72.540 5.171 9.028 1.00 0.00 H new ATOM 0 HA2 GLY A 71 73.681 7.075 9.716 1.00 0.00 H new ATOM 0 HA3 GLY A 71 72.677 7.186 11.148 1.00 0.00 H new ATOM 1110 N ALA A 72 74.529 4.581 11.323 1.00 0.00 N ATOM 1111 CA ALA A 72 75.605 3.921 12.112 1.00 0.00 C ATOM 1112 C ALA A 72 76.074 2.649 11.401 1.00 0.00 C ATOM 1113 O ALA A 72 75.384 2.104 10.563 1.00 0.00 O ATOM 1114 CB ALA A 72 74.961 3.581 13.457 1.00 0.00 C ATOM 0 H ALA A 72 73.949 3.951 10.769 1.00 0.00 H new ATOM 0 HA ALA A 72 76.481 4.559 12.232 1.00 0.00 H new ATOM 0 HB1 ALA A 72 75.694 3.090 14.097 1.00 0.00 H new ATOM 0 HB2 ALA A 72 74.616 4.497 13.937 1.00 0.00 H new ATOM 0 HB3 ALA A 72 74.114 2.914 13.297 1.00 0.00 H new ATOM 1120 N LEU A 73 77.244 2.171 11.728 1.00 0.00 N ATOM 1121 CA LEU A 73 77.753 0.937 11.066 1.00 0.00 C ATOM 1122 C LEU A 73 78.526 0.075 12.067 1.00 0.00 C ATOM 1123 O LEU A 73 79.504 0.504 12.646 1.00 0.00 O ATOM 1124 CB LEU A 73 78.685 1.437 9.963 1.00 0.00 C ATOM 1125 CG LEU A 73 77.901 2.330 9.002 1.00 0.00 C ATOM 1126 CD1 LEU A 73 78.071 3.795 9.408 1.00 0.00 C ATOM 1127 CD2 LEU A 73 78.431 2.132 7.580 1.00 0.00 C ATOM 0 H LEU A 73 77.868 2.581 12.423 1.00 0.00 H new ATOM 0 HA LEU A 73 76.946 0.319 10.673 1.00 0.00 H new ATOM 0 HB2 LEU A 73 79.516 1.993 10.398 1.00 0.00 H new ATOM 0 HB3 LEU A 73 79.114 0.593 9.424 1.00 0.00 H new ATOM 0 HG LEU A 73 76.845 2.064 9.040 1.00 0.00 H new ATOM 0 HD11 LEU A 73 77.511 4.430 8.721 1.00 0.00 H new ATOM 0 HD12 LEU A 73 77.696 3.938 10.422 1.00 0.00 H new ATOM 0 HD13 LEU A 73 79.127 4.063 9.371 1.00 0.00 H new ATOM 0 HD21 LEU A 73 77.874 2.768 6.892 1.00 0.00 H new ATOM 0 HD22 LEU A 73 79.487 2.398 7.545 1.00 0.00 H new ATOM 0 HD23 LEU A 73 78.310 1.089 7.289 1.00 0.00 H new ATOM 1139 N THR A 74 78.099 -1.141 12.271 1.00 0.00 N ATOM 1140 CA THR A 74 78.814 -2.033 13.228 1.00 0.00 C ATOM 1141 C THR A 74 80.239 -2.286 12.729 1.00 0.00 C ATOM 1142 O THR A 74 80.581 -1.941 11.615 1.00 0.00 O ATOM 1143 CB THR A 74 78.009 -3.334 13.234 1.00 0.00 C ATOM 1144 OG1 THR A 74 78.100 -3.950 11.957 1.00 0.00 O ATOM 1145 CG2 THR A 74 76.544 -3.039 13.553 1.00 0.00 C ATOM 0 H THR A 74 77.286 -1.556 11.816 1.00 0.00 H new ATOM 0 HA THR A 74 78.892 -1.601 14.226 1.00 0.00 H new ATOM 0 HB THR A 74 78.413 -4.002 13.995 1.00 0.00 H new ATOM 0 HG1 THR A 74 77.586 -4.785 11.959 1.00 0.00 H new ATOM 0 HG21 THR A 74 75.977 -3.970 13.555 1.00 0.00 H new ATOM 0 HG22 THR A 74 76.473 -2.568 14.534 1.00 0.00 H new ATOM 0 HG23 THR A 74 76.135 -2.368 12.798 1.00 0.00 H new ATOM 1153 N LEU A 75 81.075 -2.889 13.531 1.00 0.00 N ATOM 1154 CA LEU A 75 82.466 -3.154 13.063 1.00 0.00 C ATOM 1155 C LEU A 75 82.428 -3.977 11.772 1.00 0.00 C ATOM 1156 O LEU A 75 83.155 -3.690 10.842 1.00 0.00 O ATOM 1157 CB LEU A 75 83.154 -3.934 14.187 1.00 0.00 C ATOM 1158 CG LEU A 75 84.669 -3.918 13.967 1.00 0.00 C ATOM 1159 CD1 LEU A 75 85.009 -4.608 12.645 1.00 0.00 C ATOM 1160 CD2 LEU A 75 85.163 -2.472 13.924 1.00 0.00 C ATOM 0 H LEU A 75 80.860 -3.206 14.476 1.00 0.00 H new ATOM 0 HA LEU A 75 83.005 -2.232 12.846 1.00 0.00 H new ATOM 0 HB2 LEU A 75 82.911 -3.491 15.153 1.00 0.00 H new ATOM 0 HB3 LEU A 75 82.790 -4.961 14.207 1.00 0.00 H new ATOM 0 HG LEU A 75 85.155 -4.448 14.786 1.00 0.00 H new ATOM 0 HD11 LEU A 75 86.088 -4.593 12.494 1.00 0.00 H new ATOM 0 HD12 LEU A 75 84.660 -5.640 12.673 1.00 0.00 H new ATOM 0 HD13 LEU A 75 84.521 -4.083 11.824 1.00 0.00 H new ATOM 0 HD21 LEU A 75 86.242 -2.461 13.767 1.00 0.00 H new ATOM 0 HD22 LEU A 75 84.672 -1.944 13.107 1.00 0.00 H new ATOM 0 HD23 LEU A 75 84.928 -1.979 14.867 1.00 0.00 H new ATOM 1172 N PRO A 76 81.573 -4.970 11.745 1.00 0.00 N ATOM 1173 CA PRO A 76 81.455 -5.814 10.535 1.00 0.00 C ATOM 1174 C PRO A 76 81.114 -4.940 9.326 1.00 0.00 C ATOM 1175 O PRO A 76 81.476 -5.241 8.207 1.00 0.00 O ATOM 1176 CB PRO A 76 80.302 -6.767 10.856 1.00 0.00 C ATOM 1177 CG PRO A 76 80.160 -6.735 12.342 1.00 0.00 C ATOM 1178 CD PRO A 76 80.648 -5.389 12.803 1.00 0.00 C ATOM 0 HA PRO A 76 82.375 -6.346 10.292 1.00 0.00 H new ATOM 0 HB2 PRO A 76 79.382 -6.448 10.367 1.00 0.00 H new ATOM 0 HB3 PRO A 76 80.517 -7.776 10.504 1.00 0.00 H new ATOM 0 HG2 PRO A 76 79.121 -6.889 12.633 1.00 0.00 H new ATOM 0 HG3 PRO A 76 80.741 -7.534 12.802 1.00 0.00 H new ATOM 0 HD2 PRO A 76 79.825 -4.683 12.918 1.00 0.00 H new ATOM 0 HD3 PRO A 76 81.149 -5.455 13.769 1.00 0.00 H new ATOM 1186 N GLU A 77 80.420 -3.855 9.548 1.00 0.00 N ATOM 1187 CA GLU A 77 80.060 -2.957 8.414 1.00 0.00 C ATOM 1188 C GLU A 77 81.286 -2.156 7.977 1.00 0.00 C ATOM 1189 O GLU A 77 81.522 -1.948 6.803 1.00 0.00 O ATOM 1190 CB GLU A 77 78.984 -2.025 8.971 1.00 0.00 C ATOM 1191 CG GLU A 77 77.601 -2.629 8.723 1.00 0.00 C ATOM 1192 CD GLU A 77 76.534 -1.545 8.890 1.00 0.00 C ATOM 1193 OE1 GLU A 77 76.855 -0.388 8.672 1.00 0.00 O ATOM 1194 OE2 GLU A 77 75.414 -1.890 9.231 1.00 0.00 O ATOM 0 H GLU A 77 80.088 -3.553 10.464 1.00 0.00 H new ATOM 0 HA GLU A 77 79.707 -3.509 7.543 1.00 0.00 H new ATOM 0 HB2 GLU A 77 79.139 -1.872 10.039 1.00 0.00 H new ATOM 0 HB3 GLU A 77 79.055 -1.047 8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 77 77.552 -3.052 7.719 1.00 0.00 H new ATOM 0 HG3 GLU A 77 77.418 -3.445 9.422 1.00 0.00 H new ATOM 1201 N PHE A 78 82.071 -1.705 8.916 1.00 0.00 N ATOM 1202 CA PHE A 78 83.285 -0.919 8.561 1.00 0.00 C ATOM 1203 C PHE A 78 84.355 -1.843 7.973 1.00 0.00 C ATOM 1204 O PHE A 78 85.270 -1.403 7.306 1.00 0.00 O ATOM 1205 CB PHE A 78 83.763 -0.316 9.881 1.00 0.00 C ATOM 1206 CG PHE A 78 85.168 0.208 9.714 1.00 0.00 C ATOM 1207 CD1 PHE A 78 86.251 -0.680 9.719 1.00 0.00 C ATOM 1208 CD2 PHE A 78 85.387 1.580 9.550 1.00 0.00 C ATOM 1209 CE1 PHE A 78 87.554 -0.194 9.562 1.00 0.00 C ATOM 1210 CE2 PHE A 78 86.690 2.066 9.393 1.00 0.00 C ATOM 1211 CZ PHE A 78 87.774 1.179 9.398 1.00 0.00 C ATOM 0 H PHE A 78 81.924 -1.847 9.915 1.00 0.00 H new ATOM 0 HA PHE A 78 83.081 -0.152 7.814 1.00 0.00 H new ATOM 0 HB2 PHE A 78 83.097 0.490 10.187 1.00 0.00 H new ATOM 0 HB3 PHE A 78 83.735 -1.069 10.669 1.00 0.00 H new ATOM 0 HD1 PHE A 78 86.081 -1.739 9.844 1.00 0.00 H new ATOM 0 HD2 PHE A 78 84.551 2.264 9.545 1.00 0.00 H new ATOM 0 HE1 PHE A 78 88.390 -0.878 9.567 1.00 0.00 H new ATOM 0 HE2 PHE A 78 86.860 3.125 9.268 1.00 0.00 H new ATOM 0 HZ PHE A 78 88.779 1.554 9.275 1.00 0.00 H new ATOM 1221 N CYS A 79 84.245 -3.121 8.216 1.00 0.00 N ATOM 1222 CA CYS A 79 85.255 -4.073 7.670 1.00 0.00 C ATOM 1223 C CYS A 79 85.261 -4.015 6.140 1.00 0.00 C ATOM 1224 O CYS A 79 86.273 -3.748 5.522 1.00 0.00 O ATOM 1225 CB CYS A 79 84.803 -5.451 8.153 1.00 0.00 C ATOM 1226 SG CYS A 79 85.503 -5.777 9.790 1.00 0.00 S ATOM 0 H CYS A 79 83.501 -3.547 8.768 1.00 0.00 H new ATOM 0 HA CYS A 79 86.266 -3.838 8.001 1.00 0.00 H new ATOM 0 HB2 CYS A 79 83.715 -5.494 8.196 1.00 0.00 H new ATOM 0 HB3 CYS A 79 85.125 -6.218 7.449 1.00 0.00 H new ATOM 0 HG CYS A 79 85.117 -6.948 10.202 1.00 0.00 H new ATOM 1232 N ALA A 80 84.138 -4.264 5.523 1.00 0.00 N ATOM 1233 CA ALA A 80 84.081 -4.225 4.034 1.00 0.00 C ATOM 1234 C ALA A 80 84.206 -2.783 3.537 1.00 0.00 C ATOM 1235 O ALA A 80 84.760 -2.525 2.487 1.00 0.00 O ATOM 1236 CB ALA A 80 82.710 -4.799 3.674 1.00 0.00 C ATOM 0 H ALA A 80 83.258 -4.493 5.985 1.00 0.00 H new ATOM 0 HA ALA A 80 84.893 -4.790 3.575 1.00 0.00 H new ATOM 0 HB1 ALA A 80 82.591 -4.804 2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 80 82.631 -5.818 4.052 1.00 0.00 H new ATOM 0 HB3 ALA A 80 81.929 -4.184 4.122 1.00 0.00 H new ATOM 1242 N ALA A 81 83.697 -1.844 4.283 1.00 0.00 N ATOM 1243 CA ALA A 81 83.787 -0.419 3.855 1.00 0.00 C ATOM 1244 C ALA A 81 85.248 -0.037 3.594 1.00 0.00 C ATOM 1245 O ALA A 81 85.588 0.482 2.550 1.00 0.00 O ATOM 1246 CB ALA A 81 83.223 0.384 5.028 1.00 0.00 C ATOM 0 H ALA A 81 83.222 -2.001 5.172 1.00 0.00 H new ATOM 0 HA ALA A 81 83.239 -0.229 2.932 1.00 0.00 H new ATOM 0 HB1 ALA A 81 83.255 1.447 4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 81 82.191 0.084 5.212 1.00 0.00 H new ATOM 0 HB3 ALA A 81 83.820 0.194 5.920 1.00 0.00 H new ATOM 1252 N PHE A 82 86.114 -0.291 4.537 1.00 0.00 N ATOM 1253 CA PHE A 82 87.552 0.057 4.345 1.00 0.00 C ATOM 1254 C PHE A 82 88.113 -0.670 3.119 1.00 0.00 C ATOM 1255 O PHE A 82 88.742 -0.074 2.267 1.00 0.00 O ATOM 1256 CB PHE A 82 88.249 -0.425 5.617 1.00 0.00 C ATOM 1257 CG PHE A 82 88.952 0.735 6.281 1.00 0.00 C ATOM 1258 CD1 PHE A 82 88.290 1.959 6.435 1.00 0.00 C ATOM 1259 CD2 PHE A 82 90.266 0.587 6.743 1.00 0.00 C ATOM 1260 CE1 PHE A 82 88.942 3.035 7.051 1.00 0.00 C ATOM 1261 CE2 PHE A 82 90.916 1.663 7.359 1.00 0.00 C ATOM 1262 CZ PHE A 82 90.254 2.887 7.513 1.00 0.00 C ATOM 0 H PHE A 82 85.888 -0.724 5.432 1.00 0.00 H new ATOM 0 HA PHE A 82 87.700 1.124 4.178 1.00 0.00 H new ATOM 0 HB2 PHE A 82 87.520 -0.861 6.300 1.00 0.00 H new ATOM 0 HB3 PHE A 82 88.967 -1.208 5.375 1.00 0.00 H new ATOM 0 HD1 PHE A 82 87.277 2.074 6.079 1.00 0.00 H new ATOM 0 HD2 PHE A 82 90.777 -0.357 6.624 1.00 0.00 H new ATOM 0 HE1 PHE A 82 88.431 3.979 7.169 1.00 0.00 H new ATOM 0 HE2 PHE A 82 91.929 1.549 7.716 1.00 0.00 H new ATOM 0 HZ PHE A 82 90.756 3.717 7.988 1.00 0.00 H new ATOM 1272 N HIS A 83 87.891 -1.952 3.026 1.00 0.00 N ATOM 1273 CA HIS A 83 88.414 -2.717 1.858 1.00 0.00 C ATOM 1274 C HIS A 83 88.186 -1.934 0.562 1.00 0.00 C ATOM 1275 O HIS A 83 89.000 -1.961 -0.340 1.00 0.00 O ATOM 1276 CB HIS A 83 87.614 -4.020 1.844 1.00 0.00 C ATOM 1277 CG HIS A 83 88.271 -5.020 2.754 1.00 0.00 C ATOM 1278 ND1 HIS A 83 87.600 -5.606 3.816 1.00 0.00 N ATOM 1279 CD2 HIS A 83 89.539 -5.547 2.775 1.00 0.00 C ATOM 1280 CE1 HIS A 83 88.459 -6.444 4.426 1.00 0.00 C ATOM 1281 NE2 HIS A 83 89.655 -6.446 3.831 1.00 0.00 N ATOM 0 H HIS A 83 87.370 -2.503 3.708 1.00 0.00 H new ATOM 0 HA HIS A 83 89.486 -2.898 1.934 1.00 0.00 H new ATOM 0 HB2 HIS A 83 86.590 -3.834 2.169 1.00 0.00 H new ATOM 0 HB3 HIS A 83 87.560 -4.415 0.830 1.00 0.00 H new ATOM 0 HD1 HIS A 83 86.632 -5.434 4.086 1.00 0.00 H new ATOM 0 HD2 HIS A 83 90.326 -5.301 2.078 1.00 0.00 H new ATOM 0 HE1 HIS A 83 88.211 -7.042 5.291 1.00 0.00 H new ATOM 1289 N LEU A 84 87.088 -1.236 0.460 1.00 0.00 N ATOM 1290 CA LEU A 84 86.815 -0.455 -0.780 1.00 0.00 C ATOM 1291 C LEU A 84 87.772 0.736 -0.876 1.00 0.00 C ATOM 1292 O LEU A 84 88.424 0.941 -1.880 1.00 0.00 O ATOM 1293 CB LEU A 84 85.371 0.028 -0.640 1.00 0.00 C ATOM 1294 CG LEU A 84 84.421 -1.033 -1.195 1.00 0.00 C ATOM 1295 CD1 LEU A 84 83.891 -1.896 -0.048 1.00 0.00 C ATOM 1296 CD2 LEU A 84 83.248 -0.347 -1.901 1.00 0.00 C ATOM 0 H LEU A 84 86.369 -1.173 1.181 1.00 0.00 H new ATOM 0 HA LEU A 84 86.957 -1.052 -1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 84 85.142 0.224 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 84 85.237 0.967 -1.177 1.00 0.00 H new ATOM 0 HG LEU A 84 84.956 -1.663 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 84 83.214 -2.652 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 84 84.725 -2.384 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 84 83.356 -1.267 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 84 82.570 -1.103 -2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 84 82.714 0.283 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 84 83.625 0.267 -2.719 1.00 0.00 H new ATOM 1308 N ILE A 85 87.864 1.523 0.161 1.00 0.00 N ATOM 1309 CA ILE A 85 88.781 2.698 0.123 1.00 0.00 C ATOM 1310 C ILE A 85 90.164 2.270 -0.374 1.00 0.00 C ATOM 1311 O ILE A 85 90.782 2.944 -1.173 1.00 0.00 O ATOM 1312 CB ILE A 85 88.862 3.189 1.569 1.00 0.00 C ATOM 1313 CG1 ILE A 85 87.566 3.916 1.933 1.00 0.00 C ATOM 1314 CG2 ILE A 85 90.042 4.151 1.713 1.00 0.00 C ATOM 1315 CD1 ILE A 85 86.639 2.962 2.687 1.00 0.00 C ATOM 0 H ILE A 85 87.345 1.404 1.031 1.00 0.00 H new ATOM 0 HA ILE A 85 88.425 3.477 -0.551 1.00 0.00 H new ATOM 0 HB ILE A 85 89.002 2.338 2.236 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.787 4.788 2.549 1.00 0.00 H new ATOM 0 HG13 ILE A 85 87.075 4.279 1.030 1.00 0.00 H new ATOM 0 HG21 ILE A 85 90.101 4.502 2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 85 90.966 3.635 1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 85 89.901 5.002 1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.716 3.481 2.946 1.00 0.00 H new ATOM 0 HD12 ILE A 85 86.408 2.104 2.056 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.131 2.620 3.598 1.00 0.00 H new ATOM 1327 N VAL A 86 90.654 1.156 0.093 1.00 0.00 N ATOM 1328 CA VAL A 86 91.997 0.688 -0.355 1.00 0.00 C ATOM 1329 C VAL A 86 91.948 0.283 -1.833 1.00 0.00 C ATOM 1330 O VAL A 86 92.910 0.432 -2.559 1.00 0.00 O ATOM 1331 CB VAL A 86 92.311 -0.521 0.526 1.00 0.00 C ATOM 1332 CG1 VAL A 86 93.447 -1.332 -0.099 1.00 0.00 C ATOM 1333 CG2 VAL A 86 92.737 -0.040 1.916 1.00 0.00 C ATOM 0 H VAL A 86 90.184 0.549 0.765 1.00 0.00 H new ATOM 0 HA VAL A 86 92.758 1.463 -0.264 1.00 0.00 H new ATOM 0 HB VAL A 86 91.423 -1.147 0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 86 93.669 -2.193 0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 86 93.147 -1.675 -1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 86 94.336 -0.707 -0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 86 92.961 -0.901 2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 86 93.625 0.586 1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 86 91.929 0.537 2.365 1.00 0.00 H new ATOM 1343 N ALA A 87 90.833 -0.227 -2.279 1.00 0.00 N ATOM 1344 CA ALA A 87 90.720 -0.641 -3.707 1.00 0.00 C ATOM 1345 C ALA A 87 90.940 0.561 -4.630 1.00 0.00 C ATOM 1346 O ALA A 87 91.463 0.431 -5.720 1.00 0.00 O ATOM 1347 CB ALA A 87 89.294 -1.175 -3.852 1.00 0.00 C ATOM 0 H ALA A 87 89.995 -0.375 -1.717 1.00 0.00 H new ATOM 0 HA ALA A 87 91.466 -1.388 -3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 87 89.130 -1.501 -4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 87 89.151 -2.018 -3.176 1.00 0.00 H new ATOM 0 HB3 ALA A 87 88.583 -0.387 -3.604 1.00 0.00 H new