USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=10 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= 0.0592 USER MOD Single : A 28 MET CE :methyl 164:sc= 0 (180deg=-0.145) USER MOD Single : A 32 SER OG : rot 180:sc= -0.233 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.0217 K(o=-0.022,f=-2.4!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 73:sc= 1.05 USER MOD Single : A 58 MET CE :methyl -137:sc= -1.55 (180deg=-3.57!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.21) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.0444 USER MOD Single : A 71 LYS NZ :NH3+ 165:sc= -0.214 (180deg=-0.629) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 319 N VAL A 25 5.266 1.886 6.149 1.00 0.00 N ATOM 320 CA VAL A 25 4.844 0.608 5.586 1.00 0.00 C ATOM 321 C VAL A 25 5.960 -0.427 5.684 1.00 0.00 C ATOM 322 O VAL A 25 6.623 -0.738 4.695 1.00 0.00 O ATOM 323 CB VAL A 25 4.421 0.756 4.111 1.00 0.00 C ATOM 324 CG1 VAL A 25 3.831 -0.546 3.590 1.00 0.00 C ATOM 325 CG2 VAL A 25 3.429 1.901 3.950 1.00 0.00 C ATOM 0 HA VAL A 25 3.986 0.271 6.168 1.00 0.00 H new ATOM 0 HB VAL A 25 5.308 0.988 3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.538 -0.421 2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.575 -1.339 3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.956 -0.812 4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.142 1.990 2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.543 1.702 4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.891 2.832 4.280 1.00 0.00 H new ATOM 335 N SER A 26 6.162 -0.958 6.886 1.00 0.00 N ATOM 336 CA SER A 26 7.198 -1.958 7.115 1.00 0.00 C ATOM 337 C SER A 26 6.874 -3.255 6.383 1.00 0.00 C ATOM 338 O SER A 26 5.811 -3.391 5.777 1.00 0.00 O ATOM 339 CB SER A 26 7.351 -2.230 8.613 1.00 0.00 C ATOM 340 OG SER A 26 6.877 -1.138 9.381 1.00 0.00 O ATOM 0 H SER A 26 5.622 -0.712 7.716 1.00 0.00 H new ATOM 0 HA SER A 26 8.138 -1.567 6.725 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.801 -3.132 8.880 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.399 -2.415 8.847 1.00 0.00 H new ATOM 0 HG SER A 26 6.984 -1.338 10.334 1.00 0.00 H new ATOM 346 N ALA A 27 7.800 -4.208 6.443 1.00 0.00 N ATOM 347 CA ALA A 27 7.614 -5.497 5.785 1.00 0.00 C ATOM 348 C ALA A 27 6.368 -6.205 6.307 1.00 0.00 C ATOM 349 O ALA A 27 5.707 -6.940 5.574 1.00 0.00 O ATOM 350 CB ALA A 27 8.841 -6.372 5.984 1.00 0.00 C ATOM 0 H ALA A 27 8.686 -4.112 6.940 1.00 0.00 H new ATOM 0 HA ALA A 27 7.478 -5.317 4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.689 -7.331 5.488 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.714 -5.877 5.557 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.002 -6.536 7.049 1.00 0.00 H new ATOM 356 N MET A 28 6.054 -5.977 7.578 1.00 0.00 N ATOM 357 CA MET A 28 4.886 -6.591 8.198 1.00 0.00 C ATOM 358 C MET A 28 3.598 -5.995 7.643 1.00 0.00 C ATOM 359 O MET A 28 2.575 -6.674 7.556 1.00 0.00 O ATOM 360 CB MET A 28 4.935 -6.408 9.716 1.00 0.00 C ATOM 361 CG MET A 28 3.807 -7.116 10.451 1.00 0.00 C ATOM 362 SD MET A 28 4.396 -8.155 11.802 1.00 0.00 S ATOM 363 CE MET A 28 2.879 -8.976 12.284 1.00 0.00 C ATOM 0 H MET A 28 6.592 -5.372 8.198 1.00 0.00 H new ATOM 0 HA MET A 28 4.900 -7.656 7.966 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.890 -6.780 10.088 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.896 -5.343 9.947 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.114 -6.373 10.846 1.00 0.00 H new ATOM 0 HG3 MET A 28 3.248 -7.729 9.744 1.00 0.00 H new ATOM 0 HE1 MET A 28 3.115 -9.844 12.900 1.00 0.00 H new ATOM 0 HE2 MET A 28 2.256 -8.285 12.853 1.00 0.00 H new ATOM 0 HE3 MET A 28 2.341 -9.300 11.393 1.00 0.00 H new ATOM 373 N PHE A 29 3.655 -4.722 7.268 1.00 0.00 N ATOM 374 CA PHE A 29 2.491 -4.034 6.720 1.00 0.00 C ATOM 375 C PHE A 29 2.215 -4.485 5.290 1.00 0.00 C ATOM 376 O PHE A 29 1.063 -4.550 4.860 1.00 0.00 O ATOM 377 CB PHE A 29 2.702 -2.520 6.758 1.00 0.00 C ATOM 378 CG PHE A 29 1.443 -1.732 6.535 1.00 0.00 C ATOM 379 CD1 PHE A 29 0.937 -1.559 5.257 1.00 0.00 C ATOM 380 CD2 PHE A 29 0.766 -1.166 7.602 1.00 0.00 C ATOM 381 CE1 PHE A 29 -0.221 -0.835 5.048 1.00 0.00 C ATOM 382 CE2 PHE A 29 -0.393 -0.440 7.400 1.00 0.00 C ATOM 383 CZ PHE A 29 -0.887 -0.275 6.120 1.00 0.00 C ATOM 0 H PHE A 29 4.494 -4.146 7.333 1.00 0.00 H new ATOM 0 HA PHE A 29 1.628 -4.289 7.335 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.127 -2.245 7.723 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.433 -2.244 5.998 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.454 -1.995 4.415 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.148 -1.293 8.604 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.605 -0.707 4.047 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.911 -0.003 8.241 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.792 0.291 5.958 1.00 0.00 H new ATOM 393 N ILE A 30 3.280 -4.797 4.557 1.00 0.00 N ATOM 394 CA ILE A 30 3.150 -5.242 3.175 1.00 0.00 C ATOM 395 C ILE A 30 2.544 -6.641 3.107 1.00 0.00 C ATOM 396 O ILE A 30 1.658 -6.905 2.294 1.00 0.00 O ATOM 397 CB ILE A 30 4.513 -5.247 2.455 1.00 0.00 C ATOM 398 CG1 ILE A 30 5.207 -3.895 2.621 1.00 0.00 C ATOM 399 CG2 ILE A 30 4.334 -5.579 0.981 1.00 0.00 C ATOM 400 CD1 ILE A 30 6.679 -3.922 2.267 1.00 0.00 C ATOM 0 H ILE A 30 4.240 -4.750 4.897 1.00 0.00 H new ATOM 0 HA ILE A 30 2.488 -4.536 2.674 1.00 0.00 H new ATOM 0 HB ILE A 30 5.142 -6.015 2.906 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.704 -3.159 1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.096 -3.563 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.306 -5.578 0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.878 -6.564 0.883 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.690 -4.833 0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.106 -2.929 2.409 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.195 -4.634 2.911 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.797 -4.223 1.226 1.00 0.00 H new ATOM 412 N PHE A 31 3.026 -7.532 3.967 1.00 0.00 N ATOM 413 CA PHE A 31 2.529 -8.902 4.006 1.00 0.00 C ATOM 414 C PHE A 31 1.131 -8.954 4.614 1.00 0.00 C ATOM 415 O PHE A 31 0.283 -9.733 4.180 1.00 0.00 O ATOM 416 CB PHE A 31 3.482 -9.790 4.811 1.00 0.00 C ATOM 417 CG PHE A 31 3.047 -11.226 4.888 1.00 0.00 C ATOM 418 CD1 PHE A 31 3.429 -12.132 3.912 1.00 0.00 C ATOM 419 CD2 PHE A 31 2.257 -11.669 5.937 1.00 0.00 C ATOM 420 CE1 PHE A 31 3.031 -13.454 3.981 1.00 0.00 C ATOM 421 CE2 PHE A 31 1.856 -12.989 6.011 1.00 0.00 C ATOM 422 CZ PHE A 31 2.243 -13.884 5.031 1.00 0.00 C ATOM 0 H PHE A 31 3.760 -7.330 4.646 1.00 0.00 H new ATOM 0 HA PHE A 31 2.476 -9.273 2.983 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.474 -9.743 4.362 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.570 -9.391 5.822 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.044 -11.802 3.088 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.951 -10.974 6.705 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.336 -14.151 3.214 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.241 -13.321 6.834 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.930 -14.916 5.086 1.00 0.00 H new ATOM 432 N SER A 32 0.899 -8.116 5.619 1.00 0.00 N ATOM 433 CA SER A 32 -0.396 -8.064 6.288 1.00 0.00 C ATOM 434 C SER A 32 -1.429 -7.327 5.438 1.00 0.00 C ATOM 435 O SER A 32 -2.631 -7.443 5.672 1.00 0.00 O ATOM 436 CB SER A 32 -0.260 -7.379 7.650 1.00 0.00 C ATOM 437 OG SER A 32 -1.512 -7.305 8.310 1.00 0.00 O ATOM 0 H SER A 32 1.591 -7.464 5.988 1.00 0.00 H new ATOM 0 HA SER A 32 -0.740 -9.088 6.432 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.449 -7.930 8.268 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.145 -6.376 7.517 1.00 0.00 H new ATOM 0 HG SER A 32 -1.399 -6.865 9.178 1.00 0.00 H new ATOM 443 N GLU A 33 -0.957 -6.567 4.452 1.00 0.00 N ATOM 444 CA GLU A 33 -1.850 -5.815 3.577 1.00 0.00 C ATOM 445 C GLU A 33 -2.053 -6.537 2.249 1.00 0.00 C ATOM 446 O GLU A 33 -3.131 -6.478 1.658 1.00 0.00 O ATOM 447 CB GLU A 33 -1.287 -4.413 3.327 1.00 0.00 C ATOM 448 CG GLU A 33 -2.259 -3.487 2.614 1.00 0.00 C ATOM 449 CD GLU A 33 -1.560 -2.524 1.674 1.00 0.00 C ATOM 450 OE1 GLU A 33 -0.540 -1.931 2.081 1.00 0.00 O ATOM 451 OE2 GLU A 33 -2.035 -2.362 0.529 1.00 0.00 O ATOM 0 H GLU A 33 0.035 -6.457 4.240 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.817 -5.731 4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.007 -3.967 4.281 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.376 -4.496 2.734 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.977 -4.083 2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.826 -2.921 3.354 1.00 0.00 H new ATOM 458 N GLU A 34 -1.008 -7.213 1.782 1.00 0.00 N ATOM 459 CA GLU A 34 -1.074 -7.942 0.520 1.00 0.00 C ATOM 460 C GLU A 34 -1.741 -9.302 0.705 1.00 0.00 C ATOM 461 O GLU A 34 -2.459 -9.775 -0.175 1.00 0.00 O ATOM 462 CB GLU A 34 0.330 -8.126 -0.059 1.00 0.00 C ATOM 463 CG GLU A 34 0.350 -8.283 -1.571 1.00 0.00 C ATOM 464 CD GLU A 34 1.740 -8.128 -2.155 1.00 0.00 C ATOM 465 OE1 GLU A 34 2.579 -9.028 -1.939 1.00 0.00 O ATOM 466 OE2 GLU A 34 1.991 -7.106 -2.828 1.00 0.00 O ATOM 0 H GLU A 34 -0.107 -7.271 2.257 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.676 -7.357 -0.175 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.943 -7.268 0.217 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.789 -9.004 0.395 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.044 -9.264 -1.836 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.313 -7.542 -2.018 1.00 0.00 H new ATOM 473 N LYS A 35 -1.498 -9.926 1.853 1.00 0.00 N ATOM 474 CA LYS A 35 -2.075 -11.232 2.148 1.00 0.00 C ATOM 475 C LYS A 35 -3.528 -11.101 2.596 1.00 0.00 C ATOM 476 O LYS A 35 -4.343 -11.992 2.359 1.00 0.00 O ATOM 477 CB LYS A 35 -1.258 -11.940 3.231 1.00 0.00 C ATOM 478 CG LYS A 35 0.204 -12.130 2.862 1.00 0.00 C ATOM 479 CD LYS A 35 0.388 -13.282 1.887 1.00 0.00 C ATOM 480 CE LYS A 35 1.420 -12.951 0.822 1.00 0.00 C ATOM 481 NZ LYS A 35 1.227 -13.762 -0.412 1.00 0.00 N ATOM 0 H LYS A 35 -0.906 -9.549 2.593 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.049 -11.826 1.234 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.319 -11.365 4.155 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.703 -12.914 3.432 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.591 -11.212 2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.786 -12.319 3.764 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.698 -14.174 2.431 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.565 -13.514 1.412 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.357 -11.892 0.573 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.420 -13.127 1.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.951 -13.505 -1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.312 -14.772 -0.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.283 -13.575 -0.806 1.00 0.00 H new ATOM 495 N ARG A 36 -3.844 -9.987 3.247 1.00 0.00 N ATOM 496 CA ARG A 36 -5.199 -9.741 3.727 1.00 0.00 C ATOM 497 C ARG A 36 -6.196 -9.735 2.572 1.00 0.00 C ATOM 498 O ARG A 36 -7.200 -10.447 2.602 1.00 0.00 O ATOM 499 CB ARG A 36 -5.261 -8.411 4.480 1.00 0.00 C ATOM 500 CG ARG A 36 -6.643 -8.077 5.019 1.00 0.00 C ATOM 501 CD ARG A 36 -6.635 -6.771 5.796 1.00 0.00 C ATOM 502 NE ARG A 36 -6.182 -5.649 4.977 1.00 0.00 N ATOM 503 CZ ARG A 36 -6.950 -5.021 4.091 1.00 0.00 C ATOM 504 NH1 ARG A 36 -8.210 -5.400 3.905 1.00 0.00 N ATOM 505 NH2 ARG A 36 -6.460 -4.010 3.386 1.00 0.00 N ATOM 0 H ARG A 36 -3.181 -9.240 3.454 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.468 -10.549 4.408 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.555 -8.440 5.310 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.938 -7.611 3.814 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.350 -8.006 4.192 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.988 -8.884 5.665 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.638 -6.565 6.169 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.985 -6.871 6.666 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.220 -5.329 5.091 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.594 -6.177 4.443 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.793 -4.914 3.224 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.494 -3.714 3.523 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.050 -3.529 2.707 1.00 0.00 H new ATOM 519 N ARG A 37 -5.912 -8.927 1.555 1.00 0.00 N ATOM 520 CA ARG A 37 -6.785 -8.830 0.392 1.00 0.00 C ATOM 521 C ARG A 37 -6.919 -10.183 -0.301 1.00 0.00 C ATOM 522 O ARG A 37 -7.960 -10.495 -0.880 1.00 0.00 O ATOM 523 CB ARG A 37 -6.247 -7.789 -0.591 1.00 0.00 C ATOM 524 CG ARG A 37 -7.334 -6.938 -1.230 1.00 0.00 C ATOM 525 CD ARG A 37 -6.874 -6.346 -2.552 1.00 0.00 C ATOM 526 NE ARG A 37 -7.989 -6.125 -3.470 1.00 0.00 N ATOM 527 CZ ARG A 37 -7.932 -5.317 -4.526 1.00 0.00 C ATOM 528 NH1 ARG A 37 -6.818 -4.650 -4.800 1.00 0.00 N ATOM 529 NH2 ARG A 37 -8.992 -5.175 -5.310 1.00 0.00 N ATOM 0 H ARG A 37 -5.085 -8.331 1.513 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.772 -8.518 0.734 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.546 -7.137 -0.070 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.687 -8.297 -1.376 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.224 -7.545 -1.393 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.616 -6.135 -0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.363 -5.401 -2.368 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.149 -7.015 -3.016 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.863 -6.619 -3.291 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.000 -4.755 -4.200 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.780 -4.032 -5.611 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.851 -5.685 -5.104 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.948 -4.556 -6.119 1.00 0.00 H new ATOM 543 N GLN A 38 -5.859 -10.982 -0.237 1.00 0.00 N ATOM 544 CA GLN A 38 -5.858 -12.301 -0.856 1.00 0.00 C ATOM 545 C GLN A 38 -6.696 -13.283 -0.044 1.00 0.00 C ATOM 546 O GLN A 38 -7.392 -14.131 -0.603 1.00 0.00 O ATOM 547 CB GLN A 38 -4.427 -12.825 -0.989 1.00 0.00 C ATOM 548 CG GLN A 38 -3.683 -12.266 -2.191 1.00 0.00 C ATOM 549 CD GLN A 38 -3.519 -13.284 -3.303 1.00 0.00 C ATOM 550 OE1 GLN A 38 -4.092 -13.139 -4.382 1.00 0.00 O ATOM 551 NE2 GLN A 38 -2.735 -14.323 -3.042 1.00 0.00 N ATOM 0 H GLN A 38 -4.990 -10.738 0.238 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.298 -12.208 -1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.873 -12.579 -0.083 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.452 -13.912 -1.062 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.220 -11.399 -2.574 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.700 -11.918 -1.875 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.280 -14.403 -2.133 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.588 -15.042 -3.751 1.00 0.00 H new ATOM 560 N LEU A 39 -6.627 -13.160 1.277 1.00 0.00 N ATOM 561 CA LEU A 39 -7.379 -14.035 2.168 1.00 0.00 C ATOM 562 C LEU A 39 -8.850 -13.635 2.208 1.00 0.00 C ATOM 563 O LEU A 39 -9.730 -14.482 2.363 1.00 0.00 O ATOM 564 CB LEU A 39 -6.787 -13.992 3.578 1.00 0.00 C ATOM 565 CG LEU A 39 -5.587 -14.911 3.805 1.00 0.00 C ATOM 566 CD1 LEU A 39 -4.764 -14.429 4.990 1.00 0.00 C ATOM 567 CD2 LEU A 39 -6.048 -16.345 4.021 1.00 0.00 C ATOM 0 H LEU A 39 -6.057 -12.462 1.755 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.308 -15.052 1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.487 -12.967 3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.568 -14.256 4.291 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.957 -14.883 2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.914 -15.095 5.137 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.404 -13.418 4.796 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.384 -14.428 5.887 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.181 -16.986 4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.699 -16.390 4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.595 -16.688 3.143 1.00 0.00 H new ATOM 579 N GLN A 40 -9.110 -12.339 2.066 1.00 0.00 N ATOM 580 CA GLN A 40 -10.474 -11.827 2.086 1.00 0.00 C ATOM 581 C GLN A 40 -11.301 -12.439 0.959 1.00 0.00 C ATOM 582 O GLN A 40 -12.414 -12.914 1.181 1.00 0.00 O ATOM 583 CB GLN A 40 -10.470 -10.300 1.968 1.00 0.00 C ATOM 584 CG GLN A 40 -11.030 -9.594 3.192 1.00 0.00 C ATOM 585 CD GLN A 40 -10.532 -8.169 3.322 1.00 0.00 C ATOM 586 OE1 GLN A 40 -9.801 -7.673 2.464 1.00 0.00 O ATOM 587 NE2 GLN A 40 -10.926 -7.501 4.399 1.00 0.00 N ATOM 0 H GLN A 40 -8.393 -11.625 1.936 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.929 -12.107 3.036 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.449 -9.960 1.798 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.052 -10.010 1.093 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.119 -9.591 3.139 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.756 -10.154 4.086 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.532 -7.951 5.085 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.623 -6.538 4.541 1.00 0.00 H new ATOM 596 N GLU A 41 -10.748 -12.423 -0.249 1.00 0.00 N ATOM 597 CA GLU A 41 -11.435 -12.977 -1.410 1.00 0.00 C ATOM 598 C GLU A 41 -11.596 -14.488 -1.278 1.00 0.00 C ATOM 599 O GLU A 41 -12.635 -15.045 -1.629 1.00 0.00 O ATOM 600 CB GLU A 41 -10.666 -12.644 -2.690 1.00 0.00 C ATOM 601 CG GLU A 41 -10.815 -11.198 -3.131 1.00 0.00 C ATOM 602 CD GLU A 41 -9.697 -10.750 -4.051 1.00 0.00 C ATOM 603 OE1 GLU A 41 -9.609 -11.278 -5.179 1.00 0.00 O ATOM 604 OE2 GLU A 41 -8.909 -9.870 -3.643 1.00 0.00 O ATOM 0 H GLU A 41 -9.827 -12.033 -0.450 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.427 -12.528 -1.463 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.609 -12.861 -2.536 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.011 -13.297 -3.492 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.771 -11.074 -3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.837 -10.554 -2.252 1.00 0.00 H new ATOM 611 N GLU A 42 -10.559 -15.144 -0.766 1.00 0.00 N ATOM 612 CA GLU A 42 -10.585 -16.591 -0.586 1.00 0.00 C ATOM 613 C GLU A 42 -11.549 -16.981 0.530 1.00 0.00 C ATOM 614 O GLU A 42 -12.186 -18.034 0.473 1.00 0.00 O ATOM 615 CB GLU A 42 -9.182 -17.112 -0.269 1.00 0.00 C ATOM 616 CG GLU A 42 -8.219 -17.016 -1.441 1.00 0.00 C ATOM 617 CD GLU A 42 -6.845 -17.565 -1.113 1.00 0.00 C ATOM 618 OE1 GLU A 42 -6.483 -17.584 0.082 1.00 0.00 O ATOM 619 OE2 GLU A 42 -6.130 -17.976 -2.051 1.00 0.00 O ATOM 0 H GLU A 42 -9.692 -14.697 -0.469 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.931 -17.043 -1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.776 -16.549 0.572 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.253 -18.152 0.048 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.631 -17.561 -2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.126 -15.974 -1.746 1.00 0.00 H new ATOM 626 N ARG A 43 -11.650 -16.127 1.542 1.00 0.00 N ATOM 627 CA ARG A 43 -12.536 -16.381 2.671 1.00 0.00 C ATOM 628 C ARG A 43 -13.437 -15.177 2.938 1.00 0.00 C ATOM 629 O ARG A 43 -13.149 -14.359 3.811 1.00 0.00 O ATOM 630 CB ARG A 43 -11.721 -16.711 3.923 1.00 0.00 C ATOM 631 CG ARG A 43 -10.814 -17.918 3.756 1.00 0.00 C ATOM 632 CD ARG A 43 -11.587 -19.220 3.904 1.00 0.00 C ATOM 633 NE ARG A 43 -10.889 -20.345 3.290 1.00 0.00 N ATOM 634 CZ ARG A 43 -9.868 -20.985 3.858 1.00 0.00 C ATOM 635 NH1 ARG A 43 -9.425 -20.612 5.052 1.00 0.00 N ATOM 636 NH2 ARG A 43 -9.289 -21.999 3.230 1.00 0.00 N ATOM 0 H ARG A 43 -11.129 -15.252 1.603 1.00 0.00 H new ATOM 0 HA ARG A 43 -13.166 -17.235 2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.115 -15.846 4.191 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -12.403 -16.892 4.754 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.339 -17.885 2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.016 -17.881 4.498 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.748 -19.427 4.962 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.571 -19.111 3.447 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.201 -20.660 2.372 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.867 -19.832 5.539 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.643 -21.105 5.483 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.625 -22.289 2.312 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.507 -22.489 3.665 1.00 0.00 H new ATOM 650 N PRO A 44 -14.544 -15.054 2.186 1.00 0.00 N ATOM 651 CA PRO A 44 -15.488 -13.942 2.346 1.00 0.00 C ATOM 652 C PRO A 44 -16.215 -13.982 3.688 1.00 0.00 C ATOM 653 O PRO A 44 -16.809 -12.991 4.111 1.00 0.00 O ATOM 654 CB PRO A 44 -16.479 -14.143 1.197 1.00 0.00 C ATOM 655 CG PRO A 44 -16.389 -15.591 0.862 1.00 0.00 C ATOM 656 CD PRO A 44 -14.963 -15.986 1.123 1.00 0.00 C ATOM 0 HA PRO A 44 -14.982 -12.977 2.326 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -17.491 -13.869 1.496 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.220 -13.522 0.339 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -17.075 -16.177 1.474 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.659 -15.769 -0.179 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.885 -17.025 1.445 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.346 -15.882 0.230 1.00 0.00 H new ATOM 664 N GLU A 45 -16.165 -15.132 4.355 1.00 0.00 N ATOM 665 CA GLU A 45 -16.821 -15.293 5.647 1.00 0.00 C ATOM 666 C GLU A 45 -16.015 -14.616 6.752 1.00 0.00 C ATOM 667 O GLU A 45 -16.575 -14.145 7.742 1.00 0.00 O ATOM 668 CB GLU A 45 -17.003 -16.777 5.970 1.00 0.00 C ATOM 669 CG GLU A 45 -18.243 -17.071 6.798 1.00 0.00 C ATOM 670 CD GLU A 45 -19.501 -17.149 5.956 1.00 0.00 C ATOM 671 OE1 GLU A 45 -19.848 -16.137 5.312 1.00 0.00 O ATOM 672 OE2 GLU A 45 -20.141 -18.222 5.941 1.00 0.00 O ATOM 0 H GLU A 45 -15.678 -15.964 4.022 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.801 -14.818 5.591 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.057 -17.339 5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.124 -17.134 6.507 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.106 -18.013 7.328 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.363 -16.295 7.554 1.00 0.00 H new ATOM 679 N LEU A 46 -14.699 -14.572 6.575 1.00 0.00 N ATOM 680 CA LEU A 46 -13.816 -13.952 7.556 1.00 0.00 C ATOM 681 C LEU A 46 -13.811 -12.434 7.400 1.00 0.00 C ATOM 682 O LEU A 46 -14.200 -11.905 6.359 1.00 0.00 O ATOM 683 CB LEU A 46 -12.395 -14.496 7.408 1.00 0.00 C ATOM 684 CG LEU A 46 -12.244 -15.995 7.679 1.00 0.00 C ATOM 685 CD1 LEU A 46 -10.989 -16.534 7.010 1.00 0.00 C ATOM 686 CD2 LEU A 46 -12.210 -16.263 9.176 1.00 0.00 C ATOM 0 H LEU A 46 -14.220 -14.958 5.761 1.00 0.00 H new ATOM 0 HA LEU A 46 -14.189 -14.196 8.551 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.046 -14.288 6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.741 -13.951 8.089 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.106 -16.511 7.256 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.898 -17.601 7.213 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.053 -16.374 5.934 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.115 -16.014 7.403 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.102 -17.333 9.352 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.366 -15.736 9.621 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -13.137 -15.912 9.630 1.00 0.00 H new ATOM 698 N SER A 47 -13.369 -11.738 8.444 1.00 0.00 N ATOM 699 CA SER A 47 -13.315 -10.281 8.423 1.00 0.00 C ATOM 700 C SER A 47 -11.887 -9.785 8.630 1.00 0.00 C ATOM 701 O SER A 47 -10.991 -10.563 8.958 1.00 0.00 O ATOM 702 CB SER A 47 -14.229 -9.701 9.504 1.00 0.00 C ATOM 703 OG SER A 47 -15.594 -9.882 9.169 1.00 0.00 O ATOM 0 H SER A 47 -13.044 -12.160 9.314 1.00 0.00 H new ATOM 0 HA SER A 47 -13.659 -9.944 7.445 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.019 -10.182 10.459 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.020 -8.639 9.630 1.00 0.00 H new ATOM 0 HG SER A 47 -16.157 -9.504 9.876 1.00 0.00 H new ATOM 709 N GLU A 48 -11.683 -8.486 8.435 1.00 0.00 N ATOM 710 CA GLU A 48 -10.364 -7.886 8.600 1.00 0.00 C ATOM 711 C GLU A 48 -9.902 -7.982 10.050 1.00 0.00 C ATOM 712 O GLU A 48 -8.712 -8.146 10.323 1.00 0.00 O ATOM 713 CB GLU A 48 -10.388 -6.422 8.157 1.00 0.00 C ATOM 714 CG GLU A 48 -9.023 -5.755 8.186 1.00 0.00 C ATOM 715 CD GLU A 48 -8.752 -5.039 9.495 1.00 0.00 C ATOM 716 OE1 GLU A 48 -9.727 -4.706 10.202 1.00 0.00 O ATOM 717 OE2 GLU A 48 -7.566 -4.812 9.813 1.00 0.00 O ATOM 0 H GLU A 48 -12.414 -7.829 8.163 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.661 -8.436 7.975 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.790 -6.364 7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.068 -5.867 8.803 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.252 -6.507 8.021 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.954 -5.042 7.365 1.00 0.00 H new ATOM 724 N SER A 49 -10.850 -7.880 10.977 1.00 0.00 N ATOM 725 CA SER A 49 -10.539 -7.956 12.399 1.00 0.00 C ATOM 726 C SER A 49 -10.028 -9.345 12.771 1.00 0.00 C ATOM 727 O SER A 49 -9.204 -9.493 13.673 1.00 0.00 O ATOM 728 CB SER A 49 -11.776 -7.616 13.232 1.00 0.00 C ATOM 729 OG SER A 49 -11.414 -7.203 14.538 1.00 0.00 O ATOM 0 H SER A 49 -11.839 -7.745 10.768 1.00 0.00 H new ATOM 0 HA SER A 49 -9.754 -7.230 12.613 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.343 -6.825 12.741 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.429 -8.487 13.291 1.00 0.00 H new ATOM 0 HG SER A 49 -12.222 -6.990 15.050 1.00 0.00 H new ATOM 735 N GLU A 50 -10.522 -10.358 12.068 1.00 0.00 N ATOM 736 CA GLU A 50 -10.116 -11.735 12.323 1.00 0.00 C ATOM 737 C GLU A 50 -8.866 -12.090 11.523 1.00 0.00 C ATOM 738 O GLU A 50 -8.029 -12.871 11.975 1.00 0.00 O ATOM 739 CB GLU A 50 -11.252 -12.698 11.970 1.00 0.00 C ATOM 740 CG GLU A 50 -12.568 -12.362 12.652 1.00 0.00 C ATOM 741 CD GLU A 50 -12.941 -13.365 13.726 1.00 0.00 C ATOM 742 OE1 GLU A 50 -12.028 -13.860 14.420 1.00 0.00 O ATOM 743 OE2 GLU A 50 -14.147 -13.656 13.873 1.00 0.00 O ATOM 0 H GLU A 50 -11.204 -10.252 11.317 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.886 -11.829 13.384 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.400 -12.692 10.890 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.958 -13.711 12.246 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.500 -11.369 13.096 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.361 -12.324 11.905 1.00 0.00 H new ATOM 750 N LEU A 51 -8.748 -11.513 10.332 1.00 0.00 N ATOM 751 CA LEU A 51 -7.602 -11.768 9.467 1.00 0.00 C ATOM 752 C LEU A 51 -6.313 -11.263 10.109 1.00 0.00 C ATOM 753 O LEU A 51 -5.238 -11.819 9.884 1.00 0.00 O ATOM 754 CB LEU A 51 -7.803 -11.098 8.107 1.00 0.00 C ATOM 755 CG LEU A 51 -8.830 -11.776 7.198 1.00 0.00 C ATOM 756 CD1 LEU A 51 -9.214 -10.857 6.048 1.00 0.00 C ATOM 757 CD2 LEU A 51 -8.285 -13.094 6.670 1.00 0.00 C ATOM 0 H LEU A 51 -9.433 -10.865 9.943 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.519 -12.845 9.325 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.110 -10.065 8.270 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.845 -11.068 7.588 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.725 -11.984 7.784 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.945 -11.356 5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.645 -9.938 6.445 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.327 -10.617 5.462 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.028 -13.563 6.025 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.375 -12.909 6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.061 -13.756 7.506 1.00 0.00 H new ATOM 769 N THR A 52 -6.428 -10.207 10.907 1.00 0.00 N ATOM 770 CA THR A 52 -5.270 -9.628 11.580 1.00 0.00 C ATOM 771 C THR A 52 -4.594 -10.653 12.483 1.00 0.00 C ATOM 772 O THR A 52 -3.375 -10.637 12.654 1.00 0.00 O ATOM 773 CB THR A 52 -5.691 -8.407 12.401 1.00 0.00 C ATOM 774 OG1 THR A 52 -6.481 -7.527 11.622 1.00 0.00 O ATOM 775 CG2 THR A 52 -4.517 -7.615 12.939 1.00 0.00 C ATOM 0 H THR A 52 -7.310 -9.735 11.104 1.00 0.00 H new ATOM 0 HA THR A 52 -4.556 -9.318 10.817 1.00 0.00 H new ATOM 0 HB THR A 52 -6.257 -8.806 13.243 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.372 -7.914 11.494 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.884 -6.763 13.511 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.913 -8.253 13.585 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.908 -7.258 12.109 1.00 0.00 H new ATOM 783 N ARG A 53 -5.393 -11.546 13.059 1.00 0.00 N ATOM 784 CA ARG A 53 -4.870 -12.580 13.944 1.00 0.00 C ATOM 785 C ARG A 53 -4.167 -13.674 13.148 1.00 0.00 C ATOM 786 O ARG A 53 -3.209 -14.284 13.623 1.00 0.00 O ATOM 787 CB ARG A 53 -6.001 -13.187 14.778 1.00 0.00 C ATOM 788 CG ARG A 53 -6.740 -12.168 15.631 1.00 0.00 C ATOM 789 CD ARG A 53 -5.909 -11.730 16.827 1.00 0.00 C ATOM 790 NE ARG A 53 -5.686 -10.286 16.839 1.00 0.00 N ATOM 791 CZ ARG A 53 -5.309 -9.602 17.918 1.00 0.00 C ATOM 792 NH1 ARG A 53 -5.110 -10.228 19.072 1.00 0.00 N ATOM 793 NH2 ARG A 53 -5.130 -8.291 17.841 1.00 0.00 N ATOM 0 H ARG A 53 -6.404 -11.574 12.929 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.143 -12.117 14.611 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.712 -13.675 14.111 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.589 -13.961 15.426 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.991 -11.298 15.024 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.680 -12.597 15.978 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.413 -12.027 17.747 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.949 -12.245 16.809 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.827 -9.771 15.970 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.246 -11.237 19.135 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.821 -9.700 19.896 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.281 -7.807 16.956 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.841 -7.766 18.667 1.00 0.00 H new ATOM 807 N LEU A 54 -4.650 -13.918 11.934 1.00 0.00 N ATOM 808 CA LEU A 54 -4.067 -14.939 11.070 1.00 0.00 C ATOM 809 C LEU A 54 -2.865 -14.386 10.311 1.00 0.00 C ATOM 810 O LEU A 54 -1.906 -15.108 10.036 1.00 0.00 O ATOM 811 CB LEU A 54 -5.113 -15.460 10.084 1.00 0.00 C ATOM 812 CG LEU A 54 -4.668 -16.657 9.241 1.00 0.00 C ATOM 813 CD1 LEU A 54 -4.536 -17.899 10.107 1.00 0.00 C ATOM 814 CD2 LEU A 54 -5.648 -16.899 8.103 1.00 0.00 C ATOM 0 H LEU A 54 -5.443 -13.423 11.526 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.729 -15.763 11.698 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.008 -15.739 10.641 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.395 -14.648 9.414 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.691 -16.434 8.812 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.219 -18.740 9.491 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.796 -17.721 10.887 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.498 -18.127 10.565 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.317 -17.754 7.513 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.638 -17.102 8.512 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.693 -16.015 7.467 1.00 0.00 H new ATOM 826 N LEU A 55 -2.923 -13.102 9.976 1.00 0.00 N ATOM 827 CA LEU A 55 -1.839 -12.452 9.248 1.00 0.00 C ATOM 828 C LEU A 55 -0.574 -12.390 10.097 1.00 0.00 C ATOM 829 O LEU A 55 0.524 -12.664 9.614 1.00 0.00 O ATOM 830 CB LEU A 55 -2.255 -11.041 8.826 1.00 0.00 C ATOM 831 CG LEU A 55 -3.241 -10.980 7.660 1.00 0.00 C ATOM 832 CD1 LEU A 55 -3.925 -9.622 7.610 1.00 0.00 C ATOM 833 CD2 LEU A 55 -2.530 -11.269 6.346 1.00 0.00 C ATOM 0 H LEU A 55 -3.709 -12.490 10.197 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.627 -13.043 8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.699 -10.537 9.685 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.360 -10.480 8.555 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.004 -11.743 7.814 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.623 -9.597 6.774 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.467 -9.453 8.540 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.175 -8.842 7.480 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.247 -11.221 5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.746 -10.529 6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.087 -12.264 6.383 1.00 0.00 H new ATOM 845 N ALA A 56 -0.736 -12.027 11.366 1.00 0.00 N ATOM 846 CA ALA A 56 0.393 -11.930 12.283 1.00 0.00 C ATOM 847 C ALA A 56 1.098 -13.274 12.431 1.00 0.00 C ATOM 848 O ALA A 56 2.326 -13.339 12.488 1.00 0.00 O ATOM 849 CB ALA A 56 -0.071 -11.424 13.640 1.00 0.00 C ATOM 0 H ALA A 56 -1.638 -11.795 11.782 1.00 0.00 H new ATOM 0 HA ALA A 56 1.106 -11.219 11.867 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.783 -11.357 14.314 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.522 -10.438 13.526 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.807 -12.114 14.054 1.00 0.00 H new ATOM 855 N ARG A 57 0.314 -14.345 12.491 1.00 0.00 N ATOM 856 CA ARG A 57 0.863 -15.688 12.632 1.00 0.00 C ATOM 857 C ARG A 57 1.554 -16.131 11.346 1.00 0.00 C ATOM 858 O ARG A 57 2.579 -16.812 11.384 1.00 0.00 O ATOM 859 CB ARG A 57 -0.243 -16.679 12.999 1.00 0.00 C ATOM 860 CG ARG A 57 0.188 -17.723 14.017 1.00 0.00 C ATOM 861 CD ARG A 57 -0.827 -18.848 14.125 1.00 0.00 C ATOM 862 NE ARG A 57 -2.140 -18.363 14.545 1.00 0.00 N ATOM 863 CZ ARG A 57 -3.092 -19.144 15.053 1.00 0.00 C ATOM 864 NH1 ARG A 57 -2.880 -20.445 15.208 1.00 0.00 N ATOM 865 NH2 ARG A 57 -4.258 -18.622 15.408 1.00 0.00 N ATOM 0 H ARG A 57 -0.704 -14.309 12.444 1.00 0.00 H new ATOM 0 HA ARG A 57 1.603 -15.669 13.432 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.096 -16.128 13.395 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.582 -17.184 12.094 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.157 -18.132 13.732 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.315 -17.252 14.992 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.917 -19.349 13.161 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.470 -19.591 14.838 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.339 -17.368 14.443 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.984 -20.852 14.938 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.613 -21.038 15.598 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.426 -17.623 15.292 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.987 -19.220 15.797 1.00 0.00 H new ATOM 879 N MET A 58 0.985 -15.741 10.211 1.00 0.00 N ATOM 880 CA MET A 58 1.548 -16.097 8.913 1.00 0.00 C ATOM 881 C MET A 58 2.918 -15.455 8.718 1.00 0.00 C ATOM 882 O MET A 58 3.812 -16.049 8.117 1.00 0.00 O ATOM 883 CB MET A 58 0.604 -15.666 7.788 1.00 0.00 C ATOM 884 CG MET A 58 -0.598 -16.582 7.619 1.00 0.00 C ATOM 885 SD MET A 58 -0.993 -16.901 5.889 1.00 0.00 S ATOM 886 CE MET A 58 -0.973 -15.237 5.225 1.00 0.00 C ATOM 0 H MET A 58 0.135 -15.179 10.163 1.00 0.00 H new ATOM 0 HA MET A 58 1.668 -17.180 8.882 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.254 -14.653 7.987 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.160 -15.633 6.851 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.402 -17.528 8.123 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.463 -16.134 8.108 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.821 -15.103 4.553 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.040 -14.518 6.042 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.046 -15.076 4.675 1.00 0.00 H new ATOM 896 N TRP A 59 3.074 -14.238 9.228 1.00 0.00 N ATOM 897 CA TRP A 59 4.335 -13.515 9.109 1.00 0.00 C ATOM 898 C TRP A 59 5.452 -14.243 9.848 1.00 0.00 C ATOM 899 O TRP A 59 6.601 -14.250 9.406 1.00 0.00 O ATOM 900 CB TRP A 59 4.186 -12.095 9.658 1.00 0.00 C ATOM 901 CG TRP A 59 5.416 -11.257 9.479 1.00 0.00 C ATOM 902 CD1 TRP A 59 6.192 -10.719 10.466 1.00 0.00 C ATOM 903 CD2 TRP A 59 6.011 -10.859 8.238 1.00 0.00 C ATOM 904 NE1 TRP A 59 7.233 -10.012 9.915 1.00 0.00 N ATOM 905 CE2 TRP A 59 7.144 -10.083 8.550 1.00 0.00 C ATOM 906 CE3 TRP A 59 5.696 -11.084 6.896 1.00 0.00 C ATOM 907 CZ2 TRP A 59 7.962 -9.532 7.566 1.00 0.00 C ATOM 908 CZ3 TRP A 59 6.509 -10.537 5.920 1.00 0.00 C ATOM 909 CH2 TRP A 59 7.630 -9.769 6.260 1.00 0.00 C ATOM 0 H TRP A 59 2.343 -13.732 9.728 1.00 0.00 H new ATOM 0 HA TRP A 59 4.597 -13.464 8.052 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.347 -11.607 9.161 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.942 -12.147 10.719 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.013 -10.833 11.525 1.00 0.00 H new ATOM 0 HE1 TRP A 59 7.955 -9.515 10.437 1.00 0.00 H new ATOM 0 HE3 TRP A 59 4.833 -11.674 6.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 8.827 -8.939 7.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 6.276 -10.705 4.879 1.00 0.00 H new ATOM 0 HH2 TRP A 59 8.245 -9.355 5.475 1.00 0.00 H new ATOM 920 N ASN A 60 5.106 -14.857 10.975 1.00 0.00 N ATOM 921 CA ASN A 60 6.081 -15.590 11.776 1.00 0.00 C ATOM 922 C ASN A 60 6.436 -16.919 11.116 1.00 0.00 C ATOM 923 O ASN A 60 7.594 -17.337 11.124 1.00 0.00 O ATOM 924 CB ASN A 60 5.534 -15.835 13.183 1.00 0.00 C ATOM 925 CG ASN A 60 5.058 -14.559 13.848 1.00 0.00 C ATOM 926 OD1 ASN A 60 5.651 -13.493 13.671 1.00 0.00 O ATOM 927 ND2 ASN A 60 3.981 -14.658 14.618 1.00 0.00 N ATOM 0 H ASN A 60 4.159 -14.862 11.354 1.00 0.00 H new ATOM 0 HA ASN A 60 6.986 -14.986 11.846 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.708 -16.544 13.130 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.309 -16.294 13.797 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.614 -13.832 15.090 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.521 -15.560 14.737 1.00 0.00 H new ATOM 934 N ASP A 61 5.432 -17.579 10.548 1.00 0.00 N ATOM 935 CA ASP A 61 5.638 -18.861 9.883 1.00 0.00 C ATOM 936 C ASP A 61 6.495 -18.698 8.631 1.00 0.00 C ATOM 937 O ASP A 61 7.129 -19.649 8.174 1.00 0.00 O ATOM 938 CB ASP A 61 4.293 -19.490 9.516 1.00 0.00 C ATOM 939 CG ASP A 61 3.757 -20.391 10.612 1.00 0.00 C ATOM 940 OD1 ASP A 61 4.566 -20.873 11.432 1.00 0.00 O ATOM 941 OD2 ASP A 61 2.529 -20.613 10.651 1.00 0.00 O ATOM 0 H ASP A 61 4.467 -17.247 10.535 1.00 0.00 H new ATOM 0 HA ASP A 61 6.164 -19.519 10.575 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.570 -18.701 9.312 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.403 -20.066 8.597 1.00 0.00 H new ATOM 946 N LEU A 62 6.509 -17.488 8.077 1.00 0.00 N ATOM 947 CA LEU A 62 7.289 -17.203 6.876 1.00 0.00 C ATOM 948 C LEU A 62 8.751 -17.593 7.066 1.00 0.00 C ATOM 949 O LEU A 62 9.155 -18.017 8.149 1.00 0.00 O ATOM 950 CB LEU A 62 7.189 -15.718 6.519 1.00 0.00 C ATOM 951 CG LEU A 62 5.941 -15.324 5.728 1.00 0.00 C ATOM 952 CD1 LEU A 62 5.970 -13.842 5.386 1.00 0.00 C ATOM 953 CD2 LEU A 62 5.827 -16.163 4.463 1.00 0.00 C ATOM 0 H LEU A 62 5.989 -16.689 8.441 1.00 0.00 H new ATOM 0 HA LEU A 62 6.878 -17.797 6.060 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.215 -15.136 7.440 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.070 -15.439 5.941 1.00 0.00 H new ATOM 0 HG LEU A 62 5.065 -15.515 6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.074 -13.581 4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.005 -13.257 6.305 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.852 -13.625 4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.934 -15.870 3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.707 -16.003 3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.759 -17.217 4.731 1.00 0.00 H new ATOM 965 N SER A 63 9.540 -17.446 6.007 1.00 0.00 N ATOM 966 CA SER A 63 10.958 -17.783 6.055 1.00 0.00 C ATOM 967 C SER A 63 11.818 -16.557 5.767 1.00 0.00 C ATOM 968 O SER A 63 11.311 -15.515 5.352 1.00 0.00 O ATOM 969 CB SER A 63 11.276 -18.891 5.050 1.00 0.00 C ATOM 970 OG SER A 63 10.535 -20.066 5.333 1.00 0.00 O ATOM 0 H SER A 63 9.221 -17.095 5.104 1.00 0.00 H new ATOM 0 HA SER A 63 11.187 -18.138 7.060 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.047 -18.547 4.041 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.342 -19.115 5.076 1.00 0.00 H new ATOM 0 HG SER A 63 10.755 -20.758 4.675 1.00 0.00 H new ATOM 976 N GLU A 64 13.122 -16.689 5.987 1.00 0.00 N ATOM 977 CA GLU A 64 14.052 -15.591 5.750 1.00 0.00 C ATOM 978 C GLU A 64 14.103 -15.234 4.267 1.00 0.00 C ATOM 979 O GLU A 64 14.339 -14.082 3.904 1.00 0.00 O ATOM 980 CB GLU A 64 15.450 -15.965 6.248 1.00 0.00 C ATOM 981 CG GLU A 64 15.750 -15.459 7.649 1.00 0.00 C ATOM 982 CD GLU A 64 17.091 -15.941 8.168 1.00 0.00 C ATOM 983 OE1 GLU A 64 18.012 -16.131 7.345 1.00 0.00 O ATOM 984 OE2 GLU A 64 17.222 -16.127 9.396 1.00 0.00 O ATOM 0 H GLU A 64 13.558 -17.545 6.329 1.00 0.00 H new ATOM 0 HA GLU A 64 13.699 -14.720 6.302 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.555 -17.050 6.232 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.192 -15.563 5.558 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.735 -14.369 7.649 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.962 -15.788 8.327 1.00 0.00 H new ATOM 991 N LYS A 65 13.882 -16.229 3.414 1.00 0.00 N ATOM 992 CA LYS A 65 13.902 -16.019 1.971 1.00 0.00 C ATOM 993 C LYS A 65 12.649 -15.282 1.510 1.00 0.00 C ATOM 994 O LYS A 65 12.704 -14.454 0.600 1.00 0.00 O ATOM 995 CB LYS A 65 14.017 -17.358 1.241 1.00 0.00 C ATOM 996 CG LYS A 65 15.179 -18.214 1.718 1.00 0.00 C ATOM 997 CD LYS A 65 14.890 -19.696 1.536 1.00 0.00 C ATOM 998 CE LYS A 65 14.450 -20.346 2.839 1.00 0.00 C ATOM 999 NZ LYS A 65 13.099 -20.961 2.725 1.00 0.00 N ATOM 0 H LYS A 65 13.687 -17.189 3.697 1.00 0.00 H new ATOM 0 HA LYS A 65 14.771 -15.406 1.731 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.089 -17.915 1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.129 -17.171 0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 65 16.080 -17.947 1.165 1.00 0.00 H new ATOM 0 HG3 LYS A 65 15.377 -18.007 2.770 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.112 -19.826 0.784 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.782 -20.198 1.162 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.173 -21.109 3.126 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.443 -19.599 3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.836 -21.393 3.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.404 -20.228 2.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.112 -21.692 1.985 1.00 0.00 H new ATOM 1013 N LYS A 66 11.521 -15.590 2.141 1.00 0.00 N ATOM 1014 CA LYS A 66 10.254 -14.960 1.793 1.00 0.00 C ATOM 1015 C LYS A 66 10.136 -13.577 2.429 1.00 0.00 C ATOM 1016 O LYS A 66 9.555 -12.663 1.845 1.00 0.00 O ATOM 1017 CB LYS A 66 9.084 -15.838 2.239 1.00 0.00 C ATOM 1018 CG LYS A 66 8.680 -16.882 1.210 1.00 0.00 C ATOM 1019 CD LYS A 66 7.352 -17.531 1.565 1.00 0.00 C ATOM 1020 CE LYS A 66 7.553 -18.824 2.338 1.00 0.00 C ATOM 1021 NZ LYS A 66 7.645 -20.003 1.433 1.00 0.00 N ATOM 0 H LYS A 66 11.459 -16.273 2.896 1.00 0.00 H new ATOM 0 HA LYS A 66 10.223 -14.845 0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.351 -16.341 3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.226 -15.202 2.456 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.607 -16.416 0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.454 -17.647 1.144 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.755 -16.839 2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.790 -17.734 0.653 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.462 -18.753 2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.725 -18.964 3.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.782 -20.865 1.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.767 -20.087 0.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.450 -19.882 0.786 1.00 0.00 H new ATOM 1035 N LYS A 67 10.688 -13.434 3.629 1.00 0.00 N ATOM 1036 CA LYS A 67 10.642 -12.163 4.344 1.00 0.00 C ATOM 1037 C LYS A 67 11.495 -11.111 3.643 1.00 0.00 C ATOM 1038 O LYS A 67 11.192 -9.919 3.693 1.00 0.00 O ATOM 1039 CB LYS A 67 11.118 -12.349 5.786 1.00 0.00 C ATOM 1040 CG LYS A 67 9.988 -12.605 6.770 1.00 0.00 C ATOM 1041 CD LYS A 67 10.284 -13.797 7.667 1.00 0.00 C ATOM 1042 CE LYS A 67 9.821 -13.550 9.093 1.00 0.00 C ATOM 1043 NZ LYS A 67 10.422 -14.521 10.049 1.00 0.00 N ATOM 0 H LYS A 67 11.172 -14.181 4.127 1.00 0.00 H new ATOM 0 HA LYS A 67 9.609 -11.816 4.352 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.818 -13.183 5.824 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.665 -11.459 6.097 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.831 -11.718 7.383 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.062 -12.782 6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.789 -14.683 7.271 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.355 -14.001 7.661 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.087 -12.536 9.390 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.734 -13.621 9.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.081 -14.318 11.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.147 -15.488 9.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.458 -14.436 10.024 1.00 0.00 H new ATOM 1057 N ALA A 68 12.562 -11.558 2.990 1.00 0.00 N ATOM 1058 CA ALA A 68 13.457 -10.654 2.278 1.00 0.00 C ATOM 1059 C ALA A 68 12.721 -9.912 1.167 1.00 0.00 C ATOM 1060 O ALA A 68 13.095 -8.798 0.797 1.00 0.00 O ATOM 1061 CB ALA A 68 14.640 -11.422 1.708 1.00 0.00 C ATOM 0 H ALA A 68 12.828 -12.541 2.939 1.00 0.00 H new ATOM 0 HA ALA A 68 13.826 -9.915 2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.300 -10.734 1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.189 -11.899 2.520 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.280 -12.184 1.016 1.00 0.00 H new ATOM 1067 N LYS A 69 11.676 -10.538 0.635 1.00 0.00 N ATOM 1068 CA LYS A 69 10.889 -9.938 -0.436 1.00 0.00 C ATOM 1069 C LYS A 69 10.223 -8.646 0.028 1.00 0.00 C ATOM 1070 O LYS A 69 10.174 -7.662 -0.710 1.00 0.00 O ATOM 1071 CB LYS A 69 9.827 -10.923 -0.928 1.00 0.00 C ATOM 1072 CG LYS A 69 10.376 -12.310 -1.221 1.00 0.00 C ATOM 1073 CD LYS A 69 9.589 -12.999 -2.325 1.00 0.00 C ATOM 1074 CE LYS A 69 8.365 -13.716 -1.776 1.00 0.00 C ATOM 1075 NZ LYS A 69 7.098 -13.113 -2.274 1.00 0.00 N ATOM 0 H LYS A 69 11.355 -11.461 0.928 1.00 0.00 H new ATOM 0 HA LYS A 69 11.566 -9.699 -1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.041 -11.003 -0.177 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.365 -10.525 -1.832 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.423 -12.234 -1.513 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.341 -12.915 -0.315 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.278 -12.262 -3.065 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.231 -13.715 -2.838 1.00 0.00 H new ATOM 0 HE2 LYS A 69 8.403 -14.768 -2.060 1.00 0.00 H new ATOM 0 HE3 LYS A 69 8.381 -13.679 -0.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.288 -13.630 -1.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.050 -12.116 -1.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.070 -13.171 -3.312 1.00 0.00 H new ATOM 1089 N TYR A 70 9.709 -8.657 1.254 1.00 0.00 N ATOM 1090 CA TYR A 70 9.043 -7.486 1.813 1.00 0.00 C ATOM 1091 C TYR A 70 10.036 -6.587 2.544 1.00 0.00 C ATOM 1092 O TYR A 70 9.865 -5.369 2.593 1.00 0.00 O ATOM 1093 CB TYR A 70 7.928 -7.916 2.768 1.00 0.00 C ATOM 1094 CG TYR A 70 7.016 -8.977 2.195 1.00 0.00 C ATOM 1095 CD1 TYR A 70 5.974 -8.637 1.341 1.00 0.00 C ATOM 1096 CD2 TYR A 70 7.198 -10.319 2.507 1.00 0.00 C ATOM 1097 CE1 TYR A 70 5.138 -9.604 0.815 1.00 0.00 C ATOM 1098 CE2 TYR A 70 6.366 -11.291 1.985 1.00 0.00 C ATOM 1099 CZ TYR A 70 5.338 -10.929 1.140 1.00 0.00 C ATOM 1100 OH TYR A 70 4.509 -11.894 0.618 1.00 0.00 O ATOM 0 H TYR A 70 9.741 -9.463 1.879 1.00 0.00 H new ATOM 0 HA TYR A 70 8.610 -6.920 0.989 1.00 0.00 H new ATOM 0 HB2 TYR A 70 8.374 -8.291 3.689 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.333 -7.043 3.035 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.815 -7.600 1.084 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.002 -10.607 3.168 1.00 0.00 H new ATOM 0 HE1 TYR A 70 4.332 -9.323 0.153 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.520 -12.330 2.238 1.00 0.00 H new ATOM 0 HH TYR A 70 4.786 -12.775 0.945 1.00 0.00 H new ATOM 1110 N LYS A 71 11.072 -7.196 3.112 1.00 0.00 N ATOM 1111 CA LYS A 71 12.091 -6.448 3.841 1.00 0.00 C ATOM 1112 C LYS A 71 12.774 -5.429 2.935 1.00 0.00 C ATOM 1113 O LYS A 71 13.217 -4.375 3.393 1.00 0.00 O ATOM 1114 CB LYS A 71 13.129 -7.405 4.431 1.00 0.00 C ATOM 1115 CG LYS A 71 12.907 -7.710 5.904 1.00 0.00 C ATOM 1116 CD LYS A 71 13.195 -9.167 6.222 1.00 0.00 C ATOM 1117 CE LYS A 71 12.844 -9.503 7.663 1.00 0.00 C ATOM 1118 NZ LYS A 71 11.516 -8.953 8.054 1.00 0.00 N ATOM 0 H LYS A 71 11.228 -8.204 3.082 1.00 0.00 H new ATOM 0 HA LYS A 71 11.601 -5.910 4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.112 -8.338 3.869 1.00 0.00 H new ATOM 0 HB3 LYS A 71 14.122 -6.974 4.303 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.550 -7.071 6.510 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.878 -7.474 6.174 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.625 -9.807 5.549 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.250 -9.378 6.045 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.841 -10.585 7.793 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.612 -9.104 8.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.199 -9.405 8.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.595 -7.926 8.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.826 -9.143 7.299 1.00 0.00 H new ATOM 1132 N ALA A 72 12.859 -5.750 1.648 1.00 0.00 N ATOM 1133 CA ALA A 72 13.491 -4.861 0.679 1.00 0.00 C ATOM 1134 C ALA A 72 12.636 -3.623 0.429 1.00 0.00 C ATOM 1135 O ALA A 72 13.120 -2.495 0.519 1.00 0.00 O ATOM 1136 CB ALA A 72 13.745 -5.601 -0.627 1.00 0.00 C ATOM 0 H ALA A 72 12.499 -6.618 1.252 1.00 0.00 H new ATOM 0 HA ALA A 72 14.445 -4.534 1.092 1.00 0.00 H new ATOM 0 HB1 ALA A 72 14.217 -4.927 -1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.402 -6.451 -0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.798 -5.956 -1.034 1.00 0.00 H new ATOM 1142 N ARG A 73 11.364 -3.841 0.116 1.00 0.00 N ATOM 1143 CA ARG A 73 10.441 -2.742 -0.147 1.00 0.00 C ATOM 1144 C ARG A 73 10.339 -1.811 1.059 1.00 0.00 C ATOM 1145 O ARG A 73 10.030 -0.628 0.914 1.00 0.00 O ATOM 1146 CB ARG A 73 9.055 -3.288 -0.501 1.00 0.00 C ATOM 1147 CG ARG A 73 9.062 -4.240 -1.686 1.00 0.00 C ATOM 1148 CD ARG A 73 7.803 -5.092 -1.722 1.00 0.00 C ATOM 1149 NE ARG A 73 7.579 -5.683 -3.039 1.00 0.00 N ATOM 1150 CZ ARG A 73 6.684 -6.638 -3.281 1.00 0.00 C ATOM 1151 NH1 ARG A 73 5.929 -7.114 -2.299 1.00 0.00 N ATOM 1152 NH2 ARG A 73 6.545 -7.119 -4.509 1.00 0.00 N ATOM 0 H ARG A 73 10.948 -4.769 0.038 1.00 0.00 H new ATOM 0 HA ARG A 73 10.829 -2.171 -0.991 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.644 -3.804 0.367 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.389 -2.453 -0.720 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.144 -3.670 -2.612 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.938 -4.886 -1.631 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.880 -5.884 -0.978 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.943 -4.480 -1.448 1.00 0.00 H new ATOM 0 HE ARG A 73 8.142 -5.344 -3.819 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.033 -6.748 -1.353 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.245 -7.846 -2.491 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.124 -6.757 -5.267 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.859 -7.851 -4.695 1.00 0.00 H new ATOM 1166 N GLU A 74 10.597 -2.352 2.245 1.00 0.00 N ATOM 1167 CA GLU A 74 10.532 -1.569 3.475 1.00 0.00 C ATOM 1168 C GLU A 74 11.462 -0.360 3.408 1.00 0.00 C ATOM 1169 O GLU A 74 11.203 0.669 4.032 1.00 0.00 O ATOM 1170 CB GLU A 74 10.897 -2.442 4.677 1.00 0.00 C ATOM 1171 CG GLU A 74 10.843 -1.705 6.005 1.00 0.00 C ATOM 1172 CD GLU A 74 12.131 -1.826 6.795 1.00 0.00 C ATOM 1173 OE1 GLU A 74 13.174 -1.341 6.309 1.00 0.00 O ATOM 1174 OE2 GLU A 74 12.098 -2.407 7.900 1.00 0.00 O ATOM 0 H GLU A 74 10.853 -3.330 2.381 1.00 0.00 H new ATOM 0 HA GLU A 74 9.510 -1.208 3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.218 -3.294 4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.901 -2.841 4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.631 -0.651 5.823 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.018 -2.097 6.600 1.00 0.00 H new ATOM 1181 N ALA A 75 12.545 -0.492 2.650 1.00 0.00 N ATOM 1182 CA ALA A 75 13.513 0.591 2.506 1.00 0.00 C ATOM 1183 C ALA A 75 13.019 1.647 1.524 1.00 0.00 C ATOM 1184 O ALA A 75 13.366 2.823 1.636 1.00 0.00 O ATOM 1185 CB ALA A 75 14.857 0.038 2.057 1.00 0.00 C ATOM 0 H ALA A 75 12.775 -1.336 2.126 1.00 0.00 H new ATOM 0 HA ALA A 75 13.633 1.068 3.479 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.570 0.855 1.953 1.00 0.00 H new ATOM 0 HB2 ALA A 75 15.224 -0.672 2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.741 -0.466 1.098 1.00 0.00 H new ATOM 1191 N ALA A 76 12.211 1.222 0.558 1.00 0.00 N ATOM 1192 CA ALA A 76 11.674 2.134 -0.445 1.00 0.00 C ATOM 1193 C ALA A 76 10.390 2.798 0.041 1.00 0.00 C ATOM 1194 O ALA A 76 10.069 3.916 -0.362 1.00 0.00 O ATOM 1195 CB ALA A 76 11.423 1.392 -1.750 1.00 0.00 C ATOM 0 H ALA A 76 11.914 0.252 0.449 1.00 0.00 H new ATOM 0 HA ALA A 76 12.412 2.917 -0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.022 2.084 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.360 0.972 -2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.707 0.588 -1.580 1.00 0.00 H new ATOM 1201 N LEU A 77 9.658 2.104 0.907 1.00 0.00 N ATOM 1202 CA LEU A 77 8.408 2.630 1.443 1.00 0.00 C ATOM 1203 C LEU A 77 8.659 3.496 2.674 1.00 0.00 C ATOM 1204 O LEU A 77 7.904 4.427 2.953 1.00 0.00 O ATOM 1205 CB LEU A 77 7.460 1.482 1.798 1.00 0.00 C ATOM 1206 CG LEU A 77 6.940 0.680 0.605 1.00 0.00 C ATOM 1207 CD1 LEU A 77 6.416 -0.673 1.060 1.00 0.00 C ATOM 1208 CD2 LEU A 77 5.854 1.456 -0.125 1.00 0.00 C ATOM 0 H LEU A 77 9.909 1.177 1.252 1.00 0.00 H new ATOM 0 HA LEU A 77 7.948 3.252 0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.975 0.802 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.608 1.890 2.342 1.00 0.00 H new ATOM 0 HG LEU A 77 7.767 0.513 -0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.050 -1.230 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.220 -1.232 1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.602 -0.528 1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.495 0.871 -0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.027 1.653 0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.261 2.401 -0.484 1.00 0.00 H new ATOM 1220 N LYS A 78 9.722 3.183 3.409 1.00 0.00 N ATOM 1221 CA LYS A 78 10.067 3.935 4.610 1.00 0.00 C ATOM 1222 C LYS A 78 10.548 5.339 4.256 1.00 0.00 C ATOM 1223 O LYS A 78 10.354 6.283 5.022 1.00 0.00 O ATOM 1224 CB LYS A 78 11.148 3.198 5.404 1.00 0.00 C ATOM 1225 CG LYS A 78 10.595 2.143 6.349 1.00 0.00 C ATOM 1226 CD LYS A 78 11.709 1.409 7.076 1.00 0.00 C ATOM 1227 CE LYS A 78 12.206 2.197 8.276 1.00 0.00 C ATOM 1228 NZ LYS A 78 11.440 1.872 9.511 1.00 0.00 N ATOM 0 H LYS A 78 10.358 2.415 3.194 1.00 0.00 H new ATOM 0 HA LYS A 78 9.170 4.023 5.223 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.839 2.724 4.707 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.723 3.924 5.979 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.934 2.615 7.076 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.993 1.429 5.787 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.350 0.434 7.404 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.536 1.230 6.389 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.263 1.984 8.438 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.124 3.264 8.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.810 2.431 10.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.435 2.099 9.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.539 0.859 9.724 1.00 0.00 H new