USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 470 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 26 SER OG : rot 180:sc=3.41e-05 USER MOD Single : A 28 MET CE :methyl 167:sc= -0.973 (180deg=-1.01) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.228 K(o=-0.23,f=-2.2!) USER MOD Single : A 40 GLN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.336 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 82:sc= 0.0981 USER MOD Single : A 58 MET CE :methyl -140:sc= -0.488 (180deg=-3.32) USER MOD Single : A 60 ASN : amide:sc= -0.02 X(o=-0.02,f=-0.14) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -159:sc= -0.0315 (180deg=-0.297) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 136:sc= -0.0746 (180deg=-0.805) USER MOD ----------------------------------------------------------------- ATOM 319 N VAL A 25 5.754 1.857 6.462 1.00 0.00 N ATOM 320 CA VAL A 25 5.181 0.601 5.994 1.00 0.00 C ATOM 321 C VAL A 25 6.180 -0.541 6.147 1.00 0.00 C ATOM 322 O VAL A 25 6.767 -1.003 5.168 1.00 0.00 O ATOM 323 CB VAL A 25 4.744 0.697 4.520 1.00 0.00 C ATOM 324 CG1 VAL A 25 3.997 -0.559 4.100 1.00 0.00 C ATOM 325 CG2 VAL A 25 3.889 1.936 4.296 1.00 0.00 C ATOM 0 HA VAL A 25 4.304 0.400 6.609 1.00 0.00 H new ATOM 0 HB VAL A 25 5.637 0.783 3.901 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.697 -0.472 3.056 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.647 -1.426 4.219 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.111 -0.681 4.723 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.590 1.987 3.249 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.001 1.884 4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.464 2.826 4.553 1.00 0.00 H new ATOM 335 N SER A 26 6.371 -0.990 7.383 1.00 0.00 N ATOM 336 CA SER A 26 7.301 -2.077 7.671 1.00 0.00 C ATOM 337 C SER A 26 6.952 -3.327 6.869 1.00 0.00 C ATOM 338 O SER A 26 5.912 -3.386 6.213 1.00 0.00 O ATOM 339 CB SER A 26 7.292 -2.399 9.166 1.00 0.00 C ATOM 340 OG SER A 26 5.967 -2.521 9.655 1.00 0.00 O ATOM 0 H SER A 26 5.893 -0.617 8.203 1.00 0.00 H new ATOM 0 HA SER A 26 8.299 -1.751 7.380 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.835 -3.327 9.344 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.814 -1.614 9.713 1.00 0.00 H new ATOM 0 HG SER A 26 5.989 -2.729 10.612 1.00 0.00 H new ATOM 346 N ALA A 27 7.829 -4.324 6.927 1.00 0.00 N ATOM 347 CA ALA A 27 7.615 -5.574 6.208 1.00 0.00 C ATOM 348 C ALA A 27 6.311 -6.237 6.638 1.00 0.00 C ATOM 349 O ALA A 27 5.596 -6.813 5.818 1.00 0.00 O ATOM 350 CB ALA A 27 8.788 -6.518 6.430 1.00 0.00 C ATOM 0 H ALA A 27 8.695 -4.290 7.465 1.00 0.00 H new ATOM 0 HA ALA A 27 7.543 -5.346 5.145 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.615 -7.447 5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.704 -6.052 6.068 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.886 -6.732 7.494 1.00 0.00 H new ATOM 356 N MET A 28 6.007 -6.149 7.929 1.00 0.00 N ATOM 357 CA MET A 28 4.787 -6.738 8.468 1.00 0.00 C ATOM 358 C MET A 28 3.554 -6.042 7.903 1.00 0.00 C ATOM 359 O MET A 28 2.511 -6.666 7.706 1.00 0.00 O ATOM 360 CB MET A 28 4.784 -6.647 9.995 1.00 0.00 C ATOM 361 CG MET A 28 3.557 -7.273 10.639 1.00 0.00 C ATOM 362 SD MET A 28 3.961 -8.272 12.084 1.00 0.00 S ATOM 363 CE MET A 28 2.560 -9.386 12.126 1.00 0.00 C ATOM 0 H MET A 28 6.588 -5.676 8.621 1.00 0.00 H new ATOM 0 HA MET A 28 4.757 -7.787 8.174 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.677 -7.137 10.382 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.843 -5.599 10.288 1.00 0.00 H new ATOM 0 HG2 MET A 28 2.863 -6.485 10.930 1.00 0.00 H new ATOM 0 HG3 MET A 28 3.044 -7.894 9.905 1.00 0.00 H new ATOM 0 HE1 MET A 28 2.768 -10.207 12.812 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.676 -8.846 12.464 1.00 0.00 H new ATOM 0 HE3 MET A 28 2.382 -9.785 11.127 1.00 0.00 H new ATOM 373 N PHE A 29 3.681 -4.745 7.644 1.00 0.00 N ATOM 374 CA PHE A 29 2.577 -3.962 7.100 1.00 0.00 C ATOM 375 C PHE A 29 2.267 -4.382 5.667 1.00 0.00 C ATOM 376 O PHE A 29 1.104 -4.479 5.276 1.00 0.00 O ATOM 377 CB PHE A 29 2.911 -2.470 7.146 1.00 0.00 C ATOM 378 CG PHE A 29 1.721 -1.581 6.925 1.00 0.00 C ATOM 379 CD1 PHE A 29 1.095 -1.534 5.689 1.00 0.00 C ATOM 380 CD2 PHE A 29 1.227 -0.794 7.952 1.00 0.00 C ATOM 381 CE1 PHE A 29 0.000 -0.717 5.482 1.00 0.00 C ATOM 382 CE2 PHE A 29 0.132 0.025 7.752 1.00 0.00 C ATOM 383 CZ PHE A 29 -0.482 0.064 6.515 1.00 0.00 C ATOM 0 H PHE A 29 4.537 -4.214 7.802 1.00 0.00 H new ATOM 0 HA PHE A 29 1.695 -4.148 7.713 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.355 -2.235 8.113 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.663 -2.251 6.388 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.467 -2.143 4.879 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.703 -0.821 8.921 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.478 -0.689 4.514 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.243 0.634 8.561 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.337 0.704 6.356 1.00 0.00 H new ATOM 393 N ILE A 30 3.314 -4.631 4.888 1.00 0.00 N ATOM 394 CA ILE A 30 3.153 -5.042 3.499 1.00 0.00 C ATOM 395 C ILE A 30 2.511 -6.423 3.409 1.00 0.00 C ATOM 396 O ILE A 30 1.539 -6.620 2.680 1.00 0.00 O ATOM 397 CB ILE A 30 4.504 -5.065 2.756 1.00 0.00 C ATOM 398 CG1 ILE A 30 5.227 -3.726 2.923 1.00 0.00 C ATOM 399 CG2 ILE A 30 4.295 -5.377 1.281 1.00 0.00 C ATOM 400 CD1 ILE A 30 6.715 -3.808 2.666 1.00 0.00 C ATOM 0 H ILE A 30 4.284 -4.555 5.195 1.00 0.00 H new ATOM 0 HA ILE A 30 2.502 -4.308 3.025 1.00 0.00 H new ATOM 0 HB ILE A 30 5.124 -5.850 3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.788 -2.998 2.241 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.061 -3.356 3.935 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.259 -5.389 0.772 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.818 -6.352 1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.658 -4.613 0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.163 -2.824 2.802 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.167 -4.512 3.365 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.890 -4.148 1.645 1.00 0.00 H new ATOM 412 N PHE A 31 3.060 -7.374 4.157 1.00 0.00 N ATOM 413 CA PHE A 31 2.540 -8.736 4.164 1.00 0.00 C ATOM 414 C PHE A 31 1.151 -8.785 4.792 1.00 0.00 C ATOM 415 O PHE A 31 0.332 -9.636 4.445 1.00 0.00 O ATOM 416 CB PHE A 31 3.490 -9.663 4.927 1.00 0.00 C ATOM 417 CG PHE A 31 3.049 -11.099 4.935 1.00 0.00 C ATOM 418 CD1 PHE A 31 3.444 -11.965 3.927 1.00 0.00 C ATOM 419 CD2 PHE A 31 2.242 -11.584 5.951 1.00 0.00 C ATOM 420 CE1 PHE A 31 3.042 -13.286 3.932 1.00 0.00 C ATOM 421 CE2 PHE A 31 1.835 -12.905 5.961 1.00 0.00 C ATOM 422 CZ PHE A 31 2.236 -13.757 4.951 1.00 0.00 C ATOM 0 H PHE A 31 3.865 -7.227 4.766 1.00 0.00 H new ATOM 0 HA PHE A 31 2.464 -9.075 3.131 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.483 -9.599 4.482 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.578 -9.313 5.955 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.074 -11.602 3.128 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.927 -10.922 6.744 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.357 -13.950 3.141 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.204 -13.270 6.758 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.920 -14.790 4.957 1.00 0.00 H new ATOM 432 N SER A 32 0.892 -7.866 5.717 1.00 0.00 N ATOM 433 CA SER A 32 -0.398 -7.804 6.394 1.00 0.00 C ATOM 434 C SER A 32 -1.445 -7.108 5.527 1.00 0.00 C ATOM 435 O SER A 32 -2.645 -7.276 5.736 1.00 0.00 O ATOM 436 CB SER A 32 -0.260 -7.074 7.731 1.00 0.00 C ATOM 437 OG SER A 32 -1.508 -6.988 8.397 1.00 0.00 O ATOM 0 H SER A 32 1.559 -7.154 6.015 1.00 0.00 H new ATOM 0 HA SER A 32 -0.730 -8.826 6.575 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.457 -7.598 8.363 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.136 -6.072 7.563 1.00 0.00 H new ATOM 0 HG SER A 32 -1.392 -6.519 9.249 1.00 0.00 H new ATOM 443 N GLU A 33 -0.985 -6.323 4.557 1.00 0.00 N ATOM 444 CA GLU A 33 -1.888 -5.603 3.665 1.00 0.00 C ATOM 445 C GLU A 33 -2.027 -6.322 2.327 1.00 0.00 C ATOM 446 O GLU A 33 -3.068 -6.248 1.677 1.00 0.00 O ATOM 447 CB GLU A 33 -1.386 -4.176 3.440 1.00 0.00 C ATOM 448 CG GLU A 33 -2.500 -3.166 3.218 1.00 0.00 C ATOM 449 CD GLU A 33 -2.080 -2.025 2.313 1.00 0.00 C ATOM 450 OE1 GLU A 33 -0.859 -1.805 2.161 1.00 0.00 O ATOM 451 OE2 GLU A 33 -2.971 -1.352 1.753 1.00 0.00 O ATOM 0 H GLU A 33 0.006 -6.170 4.369 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.869 -5.567 4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.794 -3.868 4.302 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.721 -4.166 2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.362 -3.671 2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.818 -2.764 4.180 1.00 0.00 H new ATOM 458 N GLU A 34 -0.968 -7.015 1.920 1.00 0.00 N ATOM 459 CA GLU A 34 -0.972 -7.746 0.658 1.00 0.00 C ATOM 460 C GLU A 34 -1.640 -9.108 0.816 1.00 0.00 C ATOM 461 O GLU A 34 -2.226 -9.636 -0.130 1.00 0.00 O ATOM 462 CB GLU A 34 0.458 -7.923 0.143 1.00 0.00 C ATOM 463 CG GLU A 34 0.569 -7.886 -1.373 1.00 0.00 C ATOM 464 CD GLU A 34 1.300 -6.656 -1.875 1.00 0.00 C ATOM 465 OE1 GLU A 34 2.536 -6.589 -1.703 1.00 0.00 O ATOM 466 OE2 GLU A 34 0.638 -5.761 -2.439 1.00 0.00 O ATOM 0 H GLU A 34 -0.097 -7.086 2.446 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.544 -7.165 -0.066 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.086 -7.138 0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.850 -8.874 0.504 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.090 -8.779 -1.717 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.430 -7.913 -1.807 1.00 0.00 H new ATOM 473 N LYS A 35 -1.545 -9.675 2.014 1.00 0.00 N ATOM 474 CA LYS A 35 -2.139 -10.978 2.292 1.00 0.00 C ATOM 475 C LYS A 35 -3.596 -10.837 2.720 1.00 0.00 C ATOM 476 O LYS A 35 -4.402 -11.745 2.518 1.00 0.00 O ATOM 477 CB LYS A 35 -1.342 -11.702 3.379 1.00 0.00 C ATOM 478 CG LYS A 35 0.102 -11.975 2.995 1.00 0.00 C ATOM 479 CD LYS A 35 0.224 -13.223 2.137 1.00 0.00 C ATOM 480 CE LYS A 35 0.335 -12.876 0.662 1.00 0.00 C ATOM 481 NZ LYS A 35 1.039 -13.940 -0.108 1.00 0.00 N ATOM 0 H LYS A 35 -1.063 -9.253 2.808 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.108 -11.565 1.374 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.360 -11.104 4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.833 -12.648 3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.503 -11.119 2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.703 -12.092 3.897 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.101 -13.793 2.445 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.644 -13.862 2.297 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.662 -12.728 0.248 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.870 -11.933 0.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.094 -13.665 -1.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.000 -14.064 0.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.515 -14.834 -0.023 1.00 0.00 H new ATOM 495 N ARG A 36 -3.930 -9.694 3.314 1.00 0.00 N ATOM 496 CA ARG A 36 -5.292 -9.439 3.771 1.00 0.00 C ATOM 497 C ARG A 36 -6.286 -9.559 2.619 1.00 0.00 C ATOM 498 O ARG A 36 -7.361 -10.138 2.773 1.00 0.00 O ATOM 499 CB ARG A 36 -5.389 -8.049 4.401 1.00 0.00 C ATOM 500 CG ARG A 36 -6.776 -7.715 4.927 1.00 0.00 C ATOM 501 CD ARG A 36 -6.861 -6.272 5.397 1.00 0.00 C ATOM 502 NE ARG A 36 -6.668 -5.327 4.299 1.00 0.00 N ATOM 503 CZ ARG A 36 -6.643 -4.005 4.454 1.00 0.00 C ATOM 504 NH1 ARG A 36 -6.798 -3.468 5.658 1.00 0.00 N ATOM 505 NH2 ARG A 36 -6.462 -3.218 3.403 1.00 0.00 N ATOM 0 H ARG A 36 -3.276 -8.931 3.490 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.542 -10.189 4.521 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.673 -7.979 5.220 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.101 -7.303 3.661 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.514 -7.888 4.144 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.024 -8.383 5.752 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.833 -6.098 5.859 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.107 -6.095 6.164 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.545 -5.702 3.359 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.937 -4.069 6.470 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.778 -2.454 5.771 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.342 -3.625 2.476 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.443 -2.205 3.522 1.00 0.00 H new ATOM 519 N ARG A 37 -5.918 -9.009 1.467 1.00 0.00 N ATOM 520 CA ARG A 37 -6.778 -9.055 0.290 1.00 0.00 C ATOM 521 C ARG A 37 -6.857 -10.472 -0.269 1.00 0.00 C ATOM 522 O ARG A 37 -7.876 -10.872 -0.831 1.00 0.00 O ATOM 523 CB ARG A 37 -6.261 -8.095 -0.784 1.00 0.00 C ATOM 524 CG ARG A 37 -7.364 -7.319 -1.486 1.00 0.00 C ATOM 525 CD ARG A 37 -7.132 -5.818 -1.406 1.00 0.00 C ATOM 526 NE ARG A 37 -8.371 -5.084 -1.158 1.00 0.00 N ATOM 527 CZ ARG A 37 -8.421 -3.784 -0.877 1.00 0.00 C ATOM 528 NH1 ARG A 37 -7.303 -3.071 -0.808 1.00 0.00 N ATOM 529 NH2 ARG A 37 -9.589 -3.196 -0.664 1.00 0.00 N ATOM 0 H ARG A 37 -5.031 -8.527 1.323 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.780 -8.746 0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.567 -7.390 -0.326 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.698 -8.661 -1.526 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.416 -7.624 -2.531 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.325 -7.564 -1.034 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.418 -5.604 -0.610 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.685 -5.470 -2.337 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.250 -5.599 -1.203 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.401 -3.519 -0.971 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.346 -2.075 -0.592 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.451 -3.740 -0.715 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.627 -2.200 -0.449 1.00 0.00 H new ATOM 543 N GLN A 38 -5.774 -11.226 -0.110 1.00 0.00 N ATOM 544 CA GLN A 38 -5.721 -12.599 -0.599 1.00 0.00 C ATOM 545 C GLN A 38 -6.542 -13.524 0.292 1.00 0.00 C ATOM 546 O GLN A 38 -7.196 -14.449 -0.192 1.00 0.00 O ATOM 547 CB GLN A 38 -4.271 -13.084 -0.660 1.00 0.00 C ATOM 548 CG GLN A 38 -3.481 -12.496 -1.817 1.00 0.00 C ATOM 549 CD GLN A 38 -2.362 -13.408 -2.282 1.00 0.00 C ATOM 550 OE1 GLN A 38 -2.397 -14.617 -2.056 1.00 0.00 O ATOM 551 NE2 GLN A 38 -1.360 -12.830 -2.936 1.00 0.00 N ATOM 0 H GLN A 38 -4.922 -10.910 0.353 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.146 -12.619 -1.603 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.772 -12.831 0.275 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.263 -14.171 -0.741 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.156 -12.301 -2.651 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.061 -11.537 -1.515 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.372 -11.824 -3.101 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.579 -13.393 -3.273 1.00 0.00 H new ATOM 560 N LEU A 39 -6.504 -13.271 1.595 1.00 0.00 N ATOM 561 CA LEU A 39 -7.245 -14.080 2.555 1.00 0.00 C ATOM 562 C LEU A 39 -8.734 -13.754 2.506 1.00 0.00 C ATOM 563 O LEU A 39 -9.577 -14.621 2.740 1.00 0.00 O ATOM 564 CB LEU A 39 -6.707 -13.853 3.969 1.00 0.00 C ATOM 565 CG LEU A 39 -5.435 -14.629 4.311 1.00 0.00 C ATOM 566 CD1 LEU A 39 -4.845 -14.137 5.623 1.00 0.00 C ATOM 567 CD2 LEU A 39 -5.725 -16.121 4.382 1.00 0.00 C ATOM 0 H LEU A 39 -5.967 -12.510 2.011 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.112 -15.128 2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.511 -12.789 4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.483 -14.125 4.684 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.704 -14.457 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.940 -14.701 5.849 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.600 -13.078 5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.571 -14.278 6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.809 -16.659 4.626 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.473 -16.310 5.152 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.101 -16.465 3.418 1.00 0.00 H new ATOM 579 N GLN A 40 -9.050 -12.501 2.201 1.00 0.00 N ATOM 580 CA GLN A 40 -10.438 -12.060 2.120 1.00 0.00 C ATOM 581 C GLN A 40 -11.184 -12.812 1.023 1.00 0.00 C ATOM 582 O GLN A 40 -12.338 -13.201 1.197 1.00 0.00 O ATOM 583 CB GLN A 40 -10.501 -10.552 1.862 1.00 0.00 C ATOM 584 CG GLN A 40 -11.305 -9.791 2.905 1.00 0.00 C ATOM 585 CD GLN A 40 -11.050 -8.297 2.859 1.00 0.00 C ATOM 586 OE1 GLN A 40 -11.335 -7.637 1.860 1.00 0.00 O ATOM 587 NE2 GLN A 40 -10.511 -7.756 3.945 1.00 0.00 N ATOM 0 H GLN A 40 -8.364 -11.772 2.006 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.920 -12.277 3.073 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.487 -10.153 1.835 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.939 -10.378 0.879 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.367 -9.980 2.749 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.056 -10.168 3.897 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.291 -8.341 4.751 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.317 -6.755 3.974 1.00 0.00 H new ATOM 596 N GLU A 41 -10.516 -13.013 -0.109 1.00 0.00 N ATOM 597 CA GLU A 41 -11.115 -13.719 -1.235 1.00 0.00 C ATOM 598 C GLU A 41 -11.181 -15.219 -0.966 1.00 0.00 C ATOM 599 O GLU A 41 -12.161 -15.879 -1.309 1.00 0.00 O ATOM 600 CB GLU A 41 -10.318 -13.452 -2.514 1.00 0.00 C ATOM 601 CG GLU A 41 -10.228 -11.979 -2.878 1.00 0.00 C ATOM 602 CD GLU A 41 -9.711 -11.758 -4.286 1.00 0.00 C ATOM 603 OE1 GLU A 41 -10.025 -12.583 -5.170 1.00 0.00 O ATOM 604 OE2 GLU A 41 -8.993 -10.760 -4.506 1.00 0.00 O ATOM 0 H GLU A 41 -9.560 -12.697 -0.270 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.132 -13.348 -1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.310 -13.850 -2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.779 -13.994 -3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.213 -11.523 -2.781 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.572 -11.473 -2.170 1.00 0.00 H new ATOM 611 N GLU A 42 -10.130 -15.751 -0.349 1.00 0.00 N ATOM 612 CA GLU A 42 -10.069 -17.172 -0.033 1.00 0.00 C ATOM 613 C GLU A 42 -11.037 -17.518 1.095 1.00 0.00 C ATOM 614 O GLU A 42 -11.611 -18.607 1.122 1.00 0.00 O ATOM 615 CB GLU A 42 -8.642 -17.567 0.360 1.00 0.00 C ATOM 616 CG GLU A 42 -7.926 -18.388 -0.701 1.00 0.00 C ATOM 617 CD GLU A 42 -7.011 -19.438 -0.103 1.00 0.00 C ATOM 618 OE1 GLU A 42 -6.552 -19.244 1.042 1.00 0.00 O ATOM 619 OE2 GLU A 42 -6.752 -20.455 -0.781 1.00 0.00 O ATOM 0 H GLU A 42 -9.310 -15.219 -0.059 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.360 -17.732 -0.922 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.065 -16.664 0.560 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.674 -18.137 1.289 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.664 -18.875 -1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.343 -17.723 -1.338 1.00 0.00 H new ATOM 626 N ARG A 43 -11.212 -16.584 2.023 1.00 0.00 N ATOM 627 CA ARG A 43 -12.110 -16.788 3.153 1.00 0.00 C ATOM 628 C ARG A 43 -12.989 -15.560 3.378 1.00 0.00 C ATOM 629 O ARG A 43 -12.659 -14.691 4.185 1.00 0.00 O ATOM 630 CB ARG A 43 -11.309 -17.094 4.420 1.00 0.00 C ATOM 631 CG ARG A 43 -10.320 -18.236 4.254 1.00 0.00 C ATOM 632 CD ARG A 43 -11.018 -19.587 4.272 1.00 0.00 C ATOM 633 NE ARG A 43 -10.276 -20.577 5.048 1.00 0.00 N ATOM 634 CZ ARG A 43 -10.303 -20.650 6.376 1.00 0.00 C ATOM 635 NH1 ARG A 43 -11.033 -19.793 7.081 1.00 0.00 N ATOM 636 NH2 ARG A 43 -9.598 -21.582 7.004 1.00 0.00 N ATOM 0 H ARG A 43 -10.744 -15.678 2.015 1.00 0.00 H new ATOM 0 HA ARG A 43 -12.754 -17.637 2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.768 -16.197 4.723 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -12.000 -17.338 5.227 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.780 -18.117 3.315 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.580 -18.197 5.054 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.018 -19.473 4.691 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.140 -19.945 3.250 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.703 -21.252 4.542 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.577 -19.074 6.604 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.050 -19.854 8.099 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.035 -22.243 6.469 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.619 -21.638 8.022 1.00 0.00 H new ATOM 650 N PRO A 44 -14.126 -15.471 2.665 1.00 0.00 N ATOM 651 CA PRO A 44 -15.052 -14.340 2.793 1.00 0.00 C ATOM 652 C PRO A 44 -15.637 -14.228 4.197 1.00 0.00 C ATOM 653 O PRO A 44 -16.042 -13.148 4.627 1.00 0.00 O ATOM 654 CB PRO A 44 -16.156 -14.652 1.776 1.00 0.00 C ATOM 655 CG PRO A 44 -16.053 -16.118 1.528 1.00 0.00 C ATOM 656 CD PRO A 44 -14.599 -16.461 1.683 1.00 0.00 C ATOM 0 HA PRO A 44 -14.553 -13.388 2.613 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -17.138 -14.386 2.167 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.015 -14.086 0.855 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -16.664 -16.678 2.236 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.410 -16.371 0.530 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.461 -17.481 2.041 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.062 -16.379 0.738 1.00 0.00 H new ATOM 664 N GLU A 45 -15.678 -15.350 4.910 1.00 0.00 N ATOM 665 CA GLU A 45 -16.212 -15.374 6.266 1.00 0.00 C ATOM 666 C GLU A 45 -15.287 -14.633 7.227 1.00 0.00 C ATOM 667 O GLU A 45 -15.736 -14.050 8.213 1.00 0.00 O ATOM 668 CB GLU A 45 -16.405 -16.817 6.736 1.00 0.00 C ATOM 669 CG GLU A 45 -17.574 -16.994 7.691 1.00 0.00 C ATOM 670 CD GLU A 45 -18.884 -16.510 7.104 1.00 0.00 C ATOM 671 OE1 GLU A 45 -19.547 -17.299 6.398 1.00 0.00 O ATOM 672 OE2 GLU A 45 -19.250 -15.341 7.351 1.00 0.00 O ATOM 0 H GLU A 45 -15.348 -16.253 4.571 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.179 -14.870 6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.557 -17.456 5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.492 -17.156 7.225 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.666 -18.047 7.956 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.370 -16.450 8.613 1.00 0.00 H new ATOM 679 N LEU A 46 -13.990 -14.661 6.930 1.00 0.00 N ATOM 680 CA LEU A 46 -13.000 -13.992 7.766 1.00 0.00 C ATOM 681 C LEU A 46 -13.020 -12.485 7.532 1.00 0.00 C ATOM 682 O LEU A 46 -12.721 -12.014 6.434 1.00 0.00 O ATOM 683 CB LEU A 46 -11.604 -14.546 7.480 1.00 0.00 C ATOM 684 CG LEU A 46 -11.249 -15.830 8.233 1.00 0.00 C ATOM 685 CD1 LEU A 46 -10.176 -16.607 7.487 1.00 0.00 C ATOM 686 CD2 LEU A 46 -10.790 -15.506 9.647 1.00 0.00 C ATOM 0 H LEU A 46 -13.602 -15.140 6.117 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.252 -14.183 8.809 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.517 -14.735 6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.868 -13.781 7.730 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.142 -16.453 8.294 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.937 -17.517 8.037 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.541 -16.869 6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.280 -15.993 7.394 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.541 -16.430 10.169 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.910 -14.864 9.606 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.590 -14.992 10.180 1.00 0.00 H new ATOM 698 N SER A 47 -13.373 -11.735 8.569 1.00 0.00 N ATOM 699 CA SER A 47 -13.432 -10.281 8.476 1.00 0.00 C ATOM 700 C SER A 47 -12.047 -9.668 8.653 1.00 0.00 C ATOM 701 O SER A 47 -11.078 -10.370 8.943 1.00 0.00 O ATOM 702 CB SER A 47 -14.388 -9.720 9.529 1.00 0.00 C ATOM 703 OG SER A 47 -14.459 -8.306 9.455 1.00 0.00 O ATOM 0 H SER A 47 -13.623 -12.110 9.484 1.00 0.00 H new ATOM 0 HA SER A 47 -13.801 -10.020 7.484 1.00 0.00 H new ATOM 0 HB2 SER A 47 -15.381 -10.145 9.385 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.054 -10.019 10.523 1.00 0.00 H new ATOM 0 HG SER A 47 -15.078 -7.973 10.138 1.00 0.00 H new ATOM 709 N GLU A 48 -11.960 -8.354 8.476 1.00 0.00 N ATOM 710 CA GLU A 48 -10.693 -7.646 8.618 1.00 0.00 C ATOM 711 C GLU A 48 -10.131 -7.814 10.026 1.00 0.00 C ATOM 712 O GLU A 48 -8.919 -7.921 10.213 1.00 0.00 O ATOM 713 CB GLU A 48 -10.877 -6.159 8.297 1.00 0.00 C ATOM 714 CG GLU A 48 -10.019 -5.676 7.140 1.00 0.00 C ATOM 715 CD GLU A 48 -10.468 -4.331 6.603 1.00 0.00 C ATOM 716 OE1 GLU A 48 -10.117 -3.300 7.214 1.00 0.00 O ATOM 717 OE2 GLU A 48 -11.172 -4.309 5.571 1.00 0.00 O ATOM 0 H GLU A 48 -12.752 -7.758 8.234 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.982 -8.075 7.912 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -11.925 -5.973 8.063 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.639 -5.572 9.184 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.982 -5.605 7.467 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.050 -6.412 6.337 1.00 0.00 H new ATOM 724 N SER A 49 -11.020 -7.836 11.013 1.00 0.00 N ATOM 725 CA SER A 49 -10.614 -7.992 12.405 1.00 0.00 C ATOM 726 C SER A 49 -9.989 -9.364 12.639 1.00 0.00 C ATOM 727 O SER A 49 -8.984 -9.489 13.338 1.00 0.00 O ATOM 728 CB SER A 49 -11.814 -7.800 13.333 1.00 0.00 C ATOM 729 OG SER A 49 -11.397 -7.463 14.645 1.00 0.00 O ATOM 0 H SER A 49 -12.027 -7.748 10.875 1.00 0.00 H new ATOM 0 HA SER A 49 -9.867 -7.230 12.627 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.459 -7.014 12.940 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.406 -8.715 13.360 1.00 0.00 H new ATOM 0 HG SER A 49 -12.183 -7.344 15.218 1.00 0.00 H new ATOM 735 N GLU A 50 -10.593 -10.390 12.048 1.00 0.00 N ATOM 736 CA GLU A 50 -10.097 -11.754 12.190 1.00 0.00 C ATOM 737 C GLU A 50 -8.823 -11.956 11.377 1.00 0.00 C ATOM 738 O GLU A 50 -7.947 -12.733 11.759 1.00 0.00 O ATOM 739 CB GLU A 50 -11.164 -12.756 11.744 1.00 0.00 C ATOM 740 CG GLU A 50 -12.550 -12.451 12.287 1.00 0.00 C ATOM 741 CD GLU A 50 -13.062 -13.532 13.221 1.00 0.00 C ATOM 742 OE1 GLU A 50 -12.593 -13.588 14.377 1.00 0.00 O ATOM 743 OE2 GLU A 50 -13.932 -14.321 12.796 1.00 0.00 O ATOM 0 H GLU A 50 -11.426 -10.303 11.466 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.867 -11.923 13.242 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.205 -12.770 10.655 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.869 -13.755 12.065 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.527 -11.499 12.817 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.245 -12.336 11.455 1.00 0.00 H new ATOM 750 N LEU A 51 -8.725 -11.253 10.255 1.00 0.00 N ATOM 751 CA LEU A 51 -7.558 -11.356 9.387 1.00 0.00 C ATOM 752 C LEU A 51 -6.312 -10.816 10.083 1.00 0.00 C ATOM 753 O LEU A 51 -5.201 -11.287 9.839 1.00 0.00 O ATOM 754 CB LEU A 51 -7.798 -10.594 8.083 1.00 0.00 C ATOM 755 CG LEU A 51 -8.745 -11.281 7.097 1.00 0.00 C ATOM 756 CD1 LEU A 51 -9.183 -10.310 6.012 1.00 0.00 C ATOM 757 CD2 LEU A 51 -8.080 -12.503 6.484 1.00 0.00 C ATOM 0 H LEU A 51 -9.440 -10.605 9.925 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.397 -12.410 9.160 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.200 -9.610 8.324 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.838 -10.435 7.591 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.631 -11.608 7.642 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.856 -10.817 5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.699 -9.465 6.467 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.308 -9.951 5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.768 -12.979 5.785 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.177 -12.199 5.954 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.818 -13.208 7.272 1.00 0.00 H new ATOM 769 N THR A 52 -6.504 -9.827 10.948 1.00 0.00 N ATOM 770 CA THR A 52 -5.395 -9.224 11.679 1.00 0.00 C ATOM 771 C THR A 52 -4.671 -10.266 12.526 1.00 0.00 C ATOM 772 O THR A 52 -3.465 -10.166 12.753 1.00 0.00 O ATOM 773 CB THR A 52 -5.901 -8.088 12.569 1.00 0.00 C ATOM 774 OG1 THR A 52 -6.901 -7.337 11.904 1.00 0.00 O ATOM 775 CG2 THR A 52 -4.810 -7.127 12.990 1.00 0.00 C ATOM 0 H THR A 52 -7.417 -9.425 11.161 1.00 0.00 H new ATOM 0 HA THR A 52 -4.690 -8.820 10.952 1.00 0.00 H new ATOM 0 HB THR A 52 -6.299 -8.574 13.460 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.763 -7.796 11.986 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.236 -6.346 13.619 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.046 -7.667 13.549 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.361 -6.676 12.105 1.00 0.00 H new ATOM 783 N ARG A 53 -5.414 -11.264 12.992 1.00 0.00 N ATOM 784 CA ARG A 53 -4.842 -12.324 13.814 1.00 0.00 C ATOM 785 C ARG A 53 -4.260 -13.433 12.944 1.00 0.00 C ATOM 786 O ARG A 53 -3.270 -14.068 13.309 1.00 0.00 O ATOM 787 CB ARG A 53 -5.905 -12.901 14.751 1.00 0.00 C ATOM 788 CG ARG A 53 -6.642 -11.845 15.558 1.00 0.00 C ATOM 789 CD ARG A 53 -5.735 -11.203 16.596 1.00 0.00 C ATOM 790 NE ARG A 53 -4.901 -10.152 16.018 1.00 0.00 N ATOM 791 CZ ARG A 53 -4.286 -9.215 16.735 1.00 0.00 C ATOM 792 NH1 ARG A 53 -4.409 -9.194 18.057 1.00 0.00 N ATOM 793 NH2 ARG A 53 -3.547 -8.295 16.130 1.00 0.00 N ATOM 0 H ARG A 53 -6.414 -11.361 12.814 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.037 -11.893 14.409 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.628 -13.467 14.163 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.431 -13.604 15.436 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.029 -11.078 14.887 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.501 -12.298 16.054 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.342 -10.784 17.399 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.098 -11.966 17.043 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.783 -10.136 15.005 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.977 -9.898 18.528 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.935 -8.473 18.602 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.450 -8.306 15.115 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.076 -7.577 16.680 1.00 0.00 H new ATOM 807 N LEU A 54 -4.881 -13.663 11.792 1.00 0.00 N ATOM 808 CA LEU A 54 -4.426 -14.695 10.869 1.00 0.00 C ATOM 809 C LEU A 54 -3.181 -14.242 10.114 1.00 0.00 C ATOM 810 O LEU A 54 -2.321 -15.053 9.769 1.00 0.00 O ATOM 811 CB LEU A 54 -5.536 -15.049 9.878 1.00 0.00 C ATOM 812 CG LEU A 54 -5.395 -16.415 9.206 1.00 0.00 C ATOM 813 CD1 LEU A 54 -5.572 -17.533 10.224 1.00 0.00 C ATOM 814 CD2 LEU A 54 -6.403 -16.558 8.075 1.00 0.00 C ATOM 0 H LEU A 54 -5.702 -13.147 11.475 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.173 -15.580 11.452 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.492 -15.015 10.400 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.569 -14.282 9.104 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.392 -16.490 8.786 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.468 -18.497 9.727 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.813 -17.441 11.001 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.562 -17.462 10.674 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.289 -17.536 7.607 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.413 -16.462 8.473 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.230 -15.779 7.333 1.00 0.00 H new ATOM 826 N LEU A 55 -3.090 -12.940 9.859 1.00 0.00 N ATOM 827 CA LEU A 55 -1.949 -12.379 9.145 1.00 0.00 C ATOM 828 C LEU A 55 -0.698 -12.399 10.016 1.00 0.00 C ATOM 829 O LEU A 55 0.401 -12.674 9.536 1.00 0.00 O ATOM 830 CB LEU A 55 -2.254 -10.947 8.700 1.00 0.00 C ATOM 831 CG LEU A 55 -3.373 -10.814 7.666 1.00 0.00 C ATOM 832 CD1 LEU A 55 -3.995 -9.429 7.727 1.00 0.00 C ATOM 833 CD2 LEU A 55 -2.842 -11.101 6.269 1.00 0.00 C ATOM 0 H LEU A 55 -3.793 -12.255 10.136 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.765 -12.994 8.264 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.520 -10.359 9.578 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.345 -10.510 8.287 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.146 -11.546 7.898 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.789 -9.354 6.984 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.410 -9.260 8.720 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.232 -8.678 7.520 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.651 -11.002 5.545 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.050 -10.392 6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.444 -12.115 6.232 1.00 0.00 H new ATOM 845 N ALA A 56 -0.874 -12.105 11.301 1.00 0.00 N ATOM 846 CA ALA A 56 0.241 -12.089 12.240 1.00 0.00 C ATOM 847 C ALA A 56 0.910 -13.457 12.321 1.00 0.00 C ATOM 848 O ALA A 56 2.122 -13.556 12.514 1.00 0.00 O ATOM 849 CB ALA A 56 -0.236 -11.650 13.616 1.00 0.00 C ATOM 0 H ALA A 56 -1.778 -11.875 11.715 1.00 0.00 H new ATOM 0 HA ALA A 56 0.980 -11.374 11.878 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.606 -11.642 14.308 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.661 -10.649 13.551 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.995 -12.344 13.976 1.00 0.00 H new ATOM 855 N ARG A 57 0.112 -14.510 12.174 1.00 0.00 N ATOM 856 CA ARG A 57 0.627 -15.873 12.230 1.00 0.00 C ATOM 857 C ARG A 57 1.337 -16.241 10.931 1.00 0.00 C ATOM 858 O ARG A 57 2.408 -16.848 10.947 1.00 0.00 O ATOM 859 CB ARG A 57 -0.509 -16.859 12.502 1.00 0.00 C ATOM 860 CG ARG A 57 -0.097 -18.042 13.363 1.00 0.00 C ATOM 861 CD ARG A 57 -1.288 -18.921 13.711 1.00 0.00 C ATOM 862 NE ARG A 57 -2.066 -18.373 14.819 1.00 0.00 N ATOM 863 CZ ARG A 57 -1.708 -18.473 16.098 1.00 0.00 C ATOM 864 NH1 ARG A 57 -0.586 -19.099 16.432 1.00 0.00 N ATOM 865 NH2 ARG A 57 -2.474 -17.947 17.044 1.00 0.00 N ATOM 0 H ARG A 57 -0.893 -14.445 12.015 1.00 0.00 H new ATOM 0 HA ARG A 57 1.349 -15.928 13.045 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.327 -16.331 12.992 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.893 -17.229 11.551 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.651 -18.634 12.836 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.370 -17.681 14.279 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.929 -19.027 12.836 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.938 -19.920 13.973 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.935 -17.885 14.600 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.006 -19.506 15.708 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.316 -19.173 17.413 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.337 -17.466 16.792 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.200 -18.024 18.023 1.00 0.00 H new ATOM 879 N MET A 58 0.732 -15.871 9.807 1.00 0.00 N ATOM 880 CA MET A 58 1.306 -16.162 8.499 1.00 0.00 C ATOM 881 C MET A 58 2.680 -15.516 8.352 1.00 0.00 C ATOM 882 O MET A 58 3.567 -16.063 7.698 1.00 0.00 O ATOM 883 CB MET A 58 0.376 -15.667 7.389 1.00 0.00 C ATOM 884 CG MET A 58 -0.857 -16.536 7.196 1.00 0.00 C ATOM 885 SD MET A 58 -1.264 -16.790 5.458 1.00 0.00 S ATOM 886 CE MET A 58 -1.141 -15.117 4.831 1.00 0.00 C ATOM 0 H MET A 58 -0.155 -15.369 9.776 1.00 0.00 H new ATOM 0 HA MET A 58 1.421 -17.242 8.413 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.061 -14.649 7.618 1.00 0.00 H new ATOM 0 HB3 MET A 58 0.932 -15.626 6.452 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.693 -17.503 7.672 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.705 -16.073 7.700 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.947 -14.935 4.120 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.221 -14.412 5.658 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.180 -14.985 4.333 1.00 0.00 H new ATOM 896 N TRP A 59 2.848 -14.350 8.966 1.00 0.00 N ATOM 897 CA TRP A 59 4.114 -13.629 8.905 1.00 0.00 C ATOM 898 C TRP A 59 5.230 -14.436 9.560 1.00 0.00 C ATOM 899 O TRP A 59 6.327 -14.553 9.014 1.00 0.00 O ATOM 900 CB TRP A 59 3.981 -12.267 9.589 1.00 0.00 C ATOM 901 CG TRP A 59 5.233 -11.446 9.527 1.00 0.00 C ATOM 902 CD1 TRP A 59 5.962 -10.980 10.583 1.00 0.00 C ATOM 903 CD2 TRP A 59 5.905 -10.994 8.345 1.00 0.00 C ATOM 904 NE1 TRP A 59 7.044 -10.265 10.131 1.00 0.00 N ATOM 905 CE2 TRP A 59 7.032 -10.260 8.761 1.00 0.00 C ATOM 906 CE3 TRP A 59 5.662 -11.138 6.977 1.00 0.00 C ATOM 907 CZ2 TRP A 59 7.914 -9.672 7.857 1.00 0.00 C ATOM 908 CZ3 TRP A 59 6.538 -10.555 6.080 1.00 0.00 C ATOM 909 CH2 TRP A 59 7.652 -9.831 6.523 1.00 0.00 C ATOM 0 H TRP A 59 2.123 -13.884 9.512 1.00 0.00 H new ATOM 0 HA TRP A 59 4.369 -13.477 7.856 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.168 -11.712 9.122 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.706 -12.418 10.633 1.00 0.00 H new ATOM 0 HD1 TRP A 59 5.723 -11.149 11.623 1.00 0.00 H new ATOM 0 HE1 TRP A 59 7.743 -9.811 10.720 1.00 0.00 H new ATOM 0 HE3 TRP A 59 4.805 -11.695 6.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 8.773 -9.112 8.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 6.360 -10.660 5.020 1.00 0.00 H new ATOM 0 HH2 TRP A 59 8.318 -9.389 5.797 1.00 0.00 H new ATOM 920 N ASN A 60 4.943 -14.991 10.733 1.00 0.00 N ATOM 921 CA ASN A 60 5.923 -15.787 11.463 1.00 0.00 C ATOM 922 C ASN A 60 6.226 -17.086 10.723 1.00 0.00 C ATOM 923 O ASN A 60 7.344 -17.600 10.783 1.00 0.00 O ATOM 924 CB ASN A 60 5.415 -16.094 12.872 1.00 0.00 C ATOM 925 CG ASN A 60 4.974 -14.847 13.613 1.00 0.00 C ATOM 926 OD1 ASN A 60 5.611 -13.797 13.517 1.00 0.00 O ATOM 927 ND2 ASN A 60 3.881 -14.956 14.358 1.00 0.00 N ATOM 0 H ASN A 60 4.040 -14.904 11.198 1.00 0.00 H new ATOM 0 HA ASN A 60 6.844 -15.208 11.536 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.579 -16.791 12.810 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.203 -16.591 13.439 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.537 -14.150 14.880 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.385 -15.846 14.408 1.00 0.00 H new ATOM 934 N ASP A 61 5.224 -17.613 10.027 1.00 0.00 N ATOM 935 CA ASP A 61 5.383 -18.852 9.276 1.00 0.00 C ATOM 936 C ASP A 61 6.339 -18.661 8.102 1.00 0.00 C ATOM 937 O ASP A 61 7.012 -19.600 7.679 1.00 0.00 O ATOM 938 CB ASP A 61 4.026 -19.343 8.768 1.00 0.00 C ATOM 939 CG ASP A 61 3.365 -20.312 9.727 1.00 0.00 C ATOM 940 OD1 ASP A 61 3.989 -21.345 10.051 1.00 0.00 O ATOM 941 OD2 ASP A 61 2.224 -20.040 10.155 1.00 0.00 O ATOM 0 H ASP A 61 4.293 -17.201 9.968 1.00 0.00 H new ATOM 0 HA ASP A 61 5.806 -19.600 9.946 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.369 -18.488 8.610 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.157 -19.827 7.800 1.00 0.00 H new ATOM 946 N LEU A 62 6.393 -17.440 7.580 1.00 0.00 N ATOM 947 CA LEU A 62 7.267 -17.127 6.455 1.00 0.00 C ATOM 948 C LEU A 62 8.724 -17.428 6.793 1.00 0.00 C ATOM 949 O LEU A 62 9.063 -17.682 7.948 1.00 0.00 O ATOM 950 CB LEU A 62 7.117 -15.657 6.059 1.00 0.00 C ATOM 951 CG LEU A 62 5.872 -15.332 5.230 1.00 0.00 C ATOM 952 CD1 LEU A 62 5.868 -13.867 4.824 1.00 0.00 C ATOM 953 CD2 LEU A 62 5.800 -16.229 4.004 1.00 0.00 C ATOM 0 H LEU A 62 5.842 -16.651 7.918 1.00 0.00 H new ATOM 0 HA LEU A 62 6.972 -17.756 5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.099 -15.053 6.966 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.999 -15.357 5.494 1.00 0.00 H new ATOM 0 HG LEU A 62 4.991 -15.518 5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.975 -13.655 4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.871 -13.242 5.717 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.755 -13.652 4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.909 -15.984 3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.686 -16.075 3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.754 -17.272 4.318 1.00 0.00 H new ATOM 965 N SER A 63 9.580 -17.396 5.776 1.00 0.00 N ATOM 966 CA SER A 63 11.001 -17.665 5.965 1.00 0.00 C ATOM 967 C SER A 63 11.837 -16.437 5.619 1.00 0.00 C ATOM 968 O SER A 63 11.325 -15.456 5.078 1.00 0.00 O ATOM 969 CB SER A 63 11.435 -18.851 5.103 1.00 0.00 C ATOM 970 OG SER A 63 10.487 -19.902 5.165 1.00 0.00 O ATOM 0 H SER A 63 9.314 -17.187 4.814 1.00 0.00 H new ATOM 0 HA SER A 63 11.163 -17.909 7.015 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.557 -18.528 4.069 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.406 -19.213 5.440 1.00 0.00 H new ATOM 0 HG SER A 63 10.788 -20.647 4.604 1.00 0.00 H new ATOM 976 N GLU A 64 13.127 -16.497 5.934 1.00 0.00 N ATOM 977 CA GLU A 64 14.035 -15.390 5.658 1.00 0.00 C ATOM 978 C GLU A 64 14.118 -15.114 4.159 1.00 0.00 C ATOM 979 O GLU A 64 14.334 -13.978 3.739 1.00 0.00 O ATOM 980 CB GLU A 64 15.428 -15.696 6.212 1.00 0.00 C ATOM 981 CG GLU A 64 15.711 -15.028 7.548 1.00 0.00 C ATOM 982 CD GLU A 64 15.246 -15.861 8.726 1.00 0.00 C ATOM 983 OE1 GLU A 64 14.045 -16.203 8.774 1.00 0.00 O ATOM 984 OE2 GLU A 64 16.081 -16.171 9.601 1.00 0.00 O ATOM 0 H GLU A 64 13.567 -17.301 6.381 1.00 0.00 H new ATOM 0 HA GLU A 64 13.644 -14.500 6.151 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.536 -16.775 6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.177 -15.374 5.488 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.781 -14.843 7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.217 -14.057 7.577 1.00 0.00 H new ATOM 991 N LYS A 65 13.945 -16.161 3.358 1.00 0.00 N ATOM 992 CA LYS A 65 14.002 -16.028 1.906 1.00 0.00 C ATOM 993 C LYS A 65 12.816 -15.225 1.384 1.00 0.00 C ATOM 994 O LYS A 65 12.977 -14.329 0.556 1.00 0.00 O ATOM 995 CB LYS A 65 14.026 -17.410 1.249 1.00 0.00 C ATOM 996 CG LYS A 65 15.410 -18.041 1.212 1.00 0.00 C ATOM 997 CD LYS A 65 15.537 -19.168 2.225 1.00 0.00 C ATOM 998 CE LYS A 65 16.515 -20.232 1.753 1.00 0.00 C ATOM 999 NZ LYS A 65 17.013 -21.068 2.881 1.00 0.00 N ATOM 0 H LYS A 65 13.765 -17.109 3.689 1.00 0.00 H new ATOM 0 HA LYS A 65 14.917 -15.494 1.651 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.348 -18.072 1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.646 -17.326 0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.609 -18.426 0.212 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.163 -17.280 1.417 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.870 -18.764 3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.559 -19.620 2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.029 -20.870 1.015 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.359 -19.754 1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.677 -21.781 2.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 17.499 -20.463 3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.211 -21.544 3.341 1.00 0.00 H new ATOM 1013 N LYS A 66 11.624 -15.552 1.874 1.00 0.00 N ATOM 1014 CA LYS A 66 10.410 -14.860 1.456 1.00 0.00 C ATOM 1015 C LYS A 66 10.322 -13.480 2.098 1.00 0.00 C ATOM 1016 O LYS A 66 9.959 -12.501 1.445 1.00 0.00 O ATOM 1017 CB LYS A 66 9.175 -15.685 1.820 1.00 0.00 C ATOM 1018 CG LYS A 66 9.068 -16.991 1.050 1.00 0.00 C ATOM 1019 CD LYS A 66 7.620 -17.437 0.908 1.00 0.00 C ATOM 1020 CE LYS A 66 7.481 -18.944 1.057 1.00 0.00 C ATOM 1021 NZ LYS A 66 7.005 -19.584 -0.202 1.00 0.00 N ATOM 0 H LYS A 66 11.473 -16.291 2.560 1.00 0.00 H new ATOM 0 HA LYS A 66 10.448 -14.736 0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.196 -15.903 2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.282 -15.089 1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.511 -16.869 0.062 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.640 -17.765 1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.010 -16.939 1.661 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.238 -17.130 -0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.443 -19.371 1.341 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.783 -19.166 1.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.923 -20.611 -0.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.076 -19.195 -0.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.684 -19.393 -0.966 1.00 0.00 H new ATOM 1035 N LYS A 67 10.655 -13.409 3.383 1.00 0.00 N ATOM 1036 CA LYS A 67 10.613 -12.149 4.117 1.00 0.00 C ATOM 1037 C LYS A 67 11.534 -11.113 3.478 1.00 0.00 C ATOM 1038 O LYS A 67 11.294 -9.910 3.580 1.00 0.00 O ATOM 1039 CB LYS A 67 11.010 -12.371 5.576 1.00 0.00 C ATOM 1040 CG LYS A 67 9.830 -12.666 6.489 1.00 0.00 C ATOM 1041 CD LYS A 67 10.100 -13.866 7.383 1.00 0.00 C ATOM 1042 CE LYS A 67 9.304 -13.787 8.676 1.00 0.00 C ATOM 1043 NZ LYS A 67 9.806 -12.709 9.571 1.00 0.00 N ATOM 0 H LYS A 67 10.957 -14.210 3.938 1.00 0.00 H new ATOM 0 HA LYS A 67 9.591 -11.771 4.079 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.716 -13.199 5.630 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.529 -11.485 5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.619 -11.792 7.106 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.941 -12.853 5.887 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.843 -14.782 6.852 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.164 -13.918 7.612 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.254 -13.608 8.446 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.358 -14.744 9.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.504 -12.900 10.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.845 -12.679 9.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.420 -11.794 9.262 1.00 0.00 H new ATOM 1057 N ALA A 68 12.589 -11.587 2.823 1.00 0.00 N ATOM 1058 CA ALA A 68 13.546 -10.701 2.170 1.00 0.00 C ATOM 1059 C ALA A 68 12.858 -9.802 1.148 1.00 0.00 C ATOM 1060 O ALA A 68 13.305 -8.684 0.892 1.00 0.00 O ATOM 1061 CB ALA A 68 14.646 -11.513 1.506 1.00 0.00 C ATOM 0 H ALA A 68 12.803 -12.580 2.730 1.00 0.00 H new ATOM 0 HA ALA A 68 13.990 -10.062 2.933 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.354 -10.840 1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.166 -12.106 2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.209 -12.177 0.760 1.00 0.00 H new ATOM 1067 N LYS A 69 11.771 -10.298 0.565 1.00 0.00 N ATOM 1068 CA LYS A 69 11.025 -9.537 -0.431 1.00 0.00 C ATOM 1069 C LYS A 69 10.426 -8.276 0.181 1.00 0.00 C ATOM 1070 O LYS A 69 10.672 -7.166 -0.293 1.00 0.00 O ATOM 1071 CB LYS A 69 9.915 -10.402 -1.036 1.00 0.00 C ATOM 1072 CG LYS A 69 10.332 -11.127 -2.305 1.00 0.00 C ATOM 1073 CD LYS A 69 9.231 -11.095 -3.354 1.00 0.00 C ATOM 1074 CE LYS A 69 9.255 -12.340 -4.225 1.00 0.00 C ATOM 1075 NZ LYS A 69 10.386 -12.320 -5.193 1.00 0.00 N ATOM 0 H LYS A 69 11.388 -11.222 0.765 1.00 0.00 H new ATOM 0 HA LYS A 69 11.718 -9.241 -1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.594 -11.136 -0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.053 -9.772 -1.254 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.234 -10.666 -2.709 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.581 -12.162 -2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.261 -11.012 -2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.348 -10.210 -3.979 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.335 -13.224 -3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 69 8.314 -12.421 -4.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.366 -13.187 -5.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.297 -11.491 -5.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.286 -12.269 -4.674 1.00 0.00 H new ATOM 1089 N TYR A 70 9.637 -8.452 1.237 1.00 0.00 N ATOM 1090 CA TYR A 70 9.001 -7.327 1.912 1.00 0.00 C ATOM 1091 C TYR A 70 10.029 -6.493 2.672 1.00 0.00 C ATOM 1092 O TYR A 70 9.925 -5.268 2.733 1.00 0.00 O ATOM 1093 CB TYR A 70 7.921 -7.827 2.874 1.00 0.00 C ATOM 1094 CG TYR A 70 6.986 -8.843 2.258 1.00 0.00 C ATOM 1095 CD1 TYR A 70 5.973 -8.449 1.392 1.00 0.00 C ATOM 1096 CD2 TYR A 70 7.117 -10.197 2.542 1.00 0.00 C ATOM 1097 CE1 TYR A 70 5.117 -9.375 0.827 1.00 0.00 C ATOM 1098 CE2 TYR A 70 6.265 -11.129 1.980 1.00 0.00 C ATOM 1099 CZ TYR A 70 5.267 -10.713 1.124 1.00 0.00 C ATOM 1100 OH TYR A 70 4.417 -11.638 0.563 1.00 0.00 O ATOM 0 H TYR A 70 9.423 -9.363 1.643 1.00 0.00 H new ATOM 0 HA TYR A 70 8.539 -6.696 1.153 1.00 0.00 H new ATOM 0 HB2 TYR A 70 8.400 -8.269 3.747 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.338 -6.976 3.227 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.853 -7.402 1.157 1.00 0.00 H new ATOM 0 HD2 TYR A 70 7.897 -10.526 3.213 1.00 0.00 H new ATOM 0 HE1 TYR A 70 4.334 -9.052 0.156 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.380 -12.178 2.210 1.00 0.00 H new ATOM 0 HH TYR A 70 4.659 -12.535 0.874 1.00 0.00 H new ATOM 1110 N LYS A 71 11.020 -7.165 3.248 1.00 0.00 N ATOM 1111 CA LYS A 71 12.067 -6.484 4.003 1.00 0.00 C ATOM 1112 C LYS A 71 12.821 -5.496 3.117 1.00 0.00 C ATOM 1113 O LYS A 71 13.233 -4.429 3.572 1.00 0.00 O ATOM 1114 CB LYS A 71 13.041 -7.505 4.598 1.00 0.00 C ATOM 1115 CG LYS A 71 12.838 -7.741 6.087 1.00 0.00 C ATOM 1116 CD LYS A 71 13.039 -9.203 6.451 1.00 0.00 C ATOM 1117 CE LYS A 71 12.393 -9.539 7.787 1.00 0.00 C ATOM 1118 NZ LYS A 71 13.396 -9.610 8.886 1.00 0.00 N ATOM 0 H LYS A 71 11.121 -8.179 3.207 1.00 0.00 H new ATOM 0 HA LYS A 71 11.595 -5.929 4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.930 -8.452 4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 71 14.062 -7.163 4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.537 -7.125 6.653 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.834 -7.428 6.373 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.614 -9.835 5.671 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.105 -9.425 6.495 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.643 -8.785 8.028 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.872 -10.493 7.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.916 -9.841 9.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.097 -10.347 8.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.876 -8.692 8.978 1.00 0.00 H new ATOM 1132 N ALA A 72 12.997 -5.859 1.851 1.00 0.00 N ATOM 1133 CA ALA A 72 13.702 -5.004 0.902 1.00 0.00 C ATOM 1134 C ALA A 72 12.842 -3.813 0.492 1.00 0.00 C ATOM 1135 O ALA A 72 13.328 -2.686 0.407 1.00 0.00 O ATOM 1136 CB ALA A 72 14.113 -5.806 -0.323 1.00 0.00 C ATOM 0 H ALA A 72 12.662 -6.739 1.458 1.00 0.00 H new ATOM 0 HA ALA A 72 14.598 -4.621 1.391 1.00 0.00 H new ATOM 0 HB1 ALA A 72 14.638 -5.157 -1.024 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.771 -6.621 -0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 72 13.225 -6.216 -0.804 1.00 0.00 H new ATOM 1142 N ARG A 73 11.563 -4.073 0.239 1.00 0.00 N ATOM 1143 CA ARG A 73 10.635 -3.022 -0.164 1.00 0.00 C ATOM 1144 C ARG A 73 10.488 -1.970 0.933 1.00 0.00 C ATOM 1145 O ARG A 73 10.174 -0.813 0.657 1.00 0.00 O ATOM 1146 CB ARG A 73 9.268 -3.622 -0.496 1.00 0.00 C ATOM 1147 CG ARG A 73 9.254 -4.424 -1.788 1.00 0.00 C ATOM 1148 CD ARG A 73 8.260 -5.572 -1.720 1.00 0.00 C ATOM 1149 NE ARG A 73 7.530 -5.740 -2.974 1.00 0.00 N ATOM 1150 CZ ARG A 73 6.503 -4.978 -3.340 1.00 0.00 C ATOM 1151 NH1 ARG A 73 6.081 -3.997 -2.554 1.00 0.00 N ATOM 1152 NH2 ARG A 73 5.894 -5.199 -4.498 1.00 0.00 N ATOM 0 H ARG A 73 11.146 -5.001 0.306 1.00 0.00 H new ATOM 0 HA ARG A 73 11.040 -2.538 -1.053 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.954 -4.266 0.325 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.535 -2.818 -0.569 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.999 -3.769 -2.621 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.252 -4.816 -1.985 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.788 -6.495 -1.482 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.553 -5.392 -0.910 1.00 0.00 H new ATOM 0 HE ARG A 73 7.825 -6.485 -3.606 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.545 -3.823 -1.662 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.293 -3.417 -2.841 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.213 -5.953 -5.107 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.106 -4.615 -4.780 1.00 0.00 H new ATOM 1166 N GLU A 74 10.716 -2.381 2.178 1.00 0.00 N ATOM 1167 CA GLU A 74 10.607 -1.473 3.315 1.00 0.00 C ATOM 1168 C GLU A 74 11.513 -0.259 3.138 1.00 0.00 C ATOM 1169 O GLU A 74 11.120 0.871 3.428 1.00 0.00 O ATOM 1170 CB GLU A 74 10.961 -2.201 4.612 1.00 0.00 C ATOM 1171 CG GLU A 74 10.805 -1.342 5.856 1.00 0.00 C ATOM 1172 CD GLU A 74 12.108 -1.166 6.613 1.00 0.00 C ATOM 1173 OE1 GLU A 74 12.931 -2.104 6.604 1.00 0.00 O ATOM 1174 OE2 GLU A 74 12.304 -0.088 7.213 1.00 0.00 O ATOM 0 H GLU A 74 10.977 -3.336 2.424 1.00 0.00 H new ATOM 0 HA GLU A 74 9.575 -1.126 3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.327 -3.083 4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.991 -2.553 4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.420 -0.363 5.571 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.065 -1.796 6.515 1.00 0.00 H new ATOM 1181 N ALA A 75 12.731 -0.500 2.660 1.00 0.00 N ATOM 1182 CA ALA A 75 13.694 0.573 2.446 1.00 0.00 C ATOM 1183 C ALA A 75 13.157 1.607 1.463 1.00 0.00 C ATOM 1184 O ALA A 75 13.492 2.789 1.546 1.00 0.00 O ATOM 1185 CB ALA A 75 15.014 0.004 1.947 1.00 0.00 C ATOM 0 H ALA A 75 13.073 -1.429 2.414 1.00 0.00 H new ATOM 0 HA ALA A 75 13.862 1.072 3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.724 0.816 1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 75 15.413 -0.691 2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.851 -0.521 1.006 1.00 0.00 H new ATOM 1191 N ALA A 76 12.322 1.156 0.531 1.00 0.00 N ATOM 1192 CA ALA A 76 11.740 2.044 -0.467 1.00 0.00 C ATOM 1193 C ALA A 76 10.402 2.603 0.006 1.00 0.00 C ATOM 1194 O ALA A 76 10.022 3.718 -0.350 1.00 0.00 O ATOM 1195 CB ALA A 76 11.568 1.310 -1.789 1.00 0.00 C ATOM 0 H ALA A 76 12.034 0.181 0.447 1.00 0.00 H new ATOM 0 HA ALA A 76 12.422 2.881 -0.613 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.132 1.985 -2.526 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.540 0.965 -2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.909 0.454 -1.647 1.00 0.00 H new ATOM 1201 N LEU A 77 9.691 1.820 0.810 1.00 0.00 N ATOM 1202 CA LEU A 77 8.394 2.235 1.333 1.00 0.00 C ATOM 1203 C LEU A 77 8.553 3.128 2.561 1.00 0.00 C ATOM 1204 O LEU A 77 7.645 3.883 2.911 1.00 0.00 O ATOM 1205 CB LEU A 77 7.548 1.011 1.686 1.00 0.00 C ATOM 1206 CG LEU A 77 6.906 0.300 0.492 1.00 0.00 C ATOM 1207 CD1 LEU A 77 6.030 -0.849 0.965 1.00 0.00 C ATOM 1208 CD2 LEU A 77 6.097 1.283 -0.340 1.00 0.00 C ATOM 0 H LEU A 77 9.991 0.894 1.114 1.00 0.00 H new ATOM 0 HA LEU A 77 7.889 2.809 0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.175 0.297 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.760 1.319 2.373 1.00 0.00 H new ATOM 0 HG LEU A 77 7.699 -0.109 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.582 -1.343 0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.637 -1.565 1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.243 -0.463 1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.647 0.761 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.311 1.721 0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.752 2.073 -0.708 1.00 0.00 H new ATOM 1220 N LYS A 78 9.707 3.036 3.215 1.00 0.00 N ATOM 1221 CA LYS A 78 9.976 3.836 4.406 1.00 0.00 C ATOM 1222 C LYS A 78 10.554 5.201 4.036 1.00 0.00 C ATOM 1223 O LYS A 78 10.446 6.158 4.804 1.00 0.00 O ATOM 1224 CB LYS A 78 10.942 3.096 5.334 1.00 0.00 C ATOM 1225 CG LYS A 78 10.865 3.553 6.781 1.00 0.00 C ATOM 1226 CD LYS A 78 11.897 4.627 7.083 1.00 0.00 C ATOM 1227 CE LYS A 78 13.276 4.028 7.306 1.00 0.00 C ATOM 1228 NZ LYS A 78 14.151 4.188 6.111 1.00 0.00 N ATOM 0 H LYS A 78 10.470 2.417 2.941 1.00 0.00 H new ATOM 0 HA LYS A 78 9.030 3.994 4.924 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.731 2.028 5.287 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.960 3.236 4.971 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.867 3.938 6.989 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.022 2.700 7.442 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.937 5.337 6.257 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.594 5.185 7.969 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.745 4.506 8.166 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.178 2.969 7.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.098 4.493 6.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.223 3.280 5.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.743 4.903 5.476 1.00 0.00 H new