USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 566 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 618 TYR OH : rot 141:sc= 0.305 USER MOD Set 1.2: A 662 TYR OH : rot 30:sc= 0.284 USER MOD Single : A 603 LYS NZ :NH3+ -155:sc= 0.985 (180deg=0.122!) USER MOD Single : A 612 LYS NZ :NH3+ 170:sc= 1.27 (180deg=1.03) USER MOD Single : A 614 TYR OH : rot -156:sc= 1.01 USER MOD Single : A 624 THR OG1 : rot -154:sc= 0.979 USER MOD Single : A 625 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 629 THR OG1 : rot 100:sc= 1.28 USER MOD Single : A 631 MET CE :methyl -120:sc= -0.582 (180deg=-1.13) USER MOD Single : A 632 MET CE :methyl -167:sc= -0.187 (180deg=-0.562) USER MOD Single : A 635 TYR OH : rot 180:sc= 0 USER MOD Single : A 636 ASN : amide:sc= 0.833 K(o=0.83,f=-0.16) USER MOD Single : A 638 SER OG : rot 180:sc=0.000432 USER MOD Single : A 641 LYS NZ :NH3+ -151:sc= 1.21 (180deg=-0.676) USER MOD Single : A 650 LYS NZ :NH3+ 164:sc= 1.23 (180deg=1.07) USER MOD Single : A 652 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0983) USER MOD Single : A 664 LYS NZ :NH3+ 163:sc= 1.19 (180deg=0.678!) USER MOD ----------------------------------------------------------------- ATOM 324 N ARG A 601 -4.156 -2.069 2.615 1.00 0.00 N ATOM 325 CA ARG A 601 -2.919 -2.656 2.115 1.00 0.00 C ATOM 326 C ARG A 601 -2.172 -3.242 3.304 1.00 0.00 C ATOM 327 O ARG A 601 -2.375 -2.780 4.431 1.00 0.00 O ATOM 328 CB ARG A 601 -2.081 -1.581 1.386 1.00 0.00 C ATOM 329 CG ARG A 601 -1.649 -0.382 2.261 1.00 0.00 C ATOM 330 CD ARG A 601 -0.333 -0.607 3.026 1.00 0.00 C ATOM 331 NE ARG A 601 -0.123 0.401 4.077 1.00 0.00 N ATOM 332 CZ ARG A 601 -0.519 0.323 5.359 1.00 0.00 C ATOM 333 NH1 ARG A 601 -1.252 -0.696 5.813 1.00 0.00 N ATOM 334 NH2 ARG A 601 -0.170 1.293 6.205 1.00 0.00 N ATOM 0 HA ARG A 601 -3.123 -3.446 1.392 1.00 0.00 H new ATOM 0 HB2 ARG A 601 -1.188 -2.054 0.978 1.00 0.00 H new ATOM 0 HB3 ARG A 601 -2.657 -1.205 0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 601 -1.542 0.498 1.626 1.00 0.00 H new ATOM 0 HG3 ARG A 601 -2.441 -0.164 2.977 1.00 0.00 H new ATOM 0 HD2 ARG A 601 -0.340 -1.601 3.474 1.00 0.00 H new ATOM 0 HD3 ARG A 601 0.502 -0.579 2.326 1.00 0.00 H new ATOM 0 HE ARG A 601 0.375 1.248 3.804 1.00 0.00 H new ATOM 0 HH11 ARG A 601 -1.529 -1.447 5.181 1.00 0.00 H new ATOM 0 HH12 ARG A 601 -1.535 -0.724 6.792 1.00 0.00 H new ATOM 0 HH21 ARG A 601 0.390 2.080 5.876 1.00 0.00 H new ATOM 0 HH22 ARG A 601 -0.463 1.248 7.181 1.00 0.00 H new ATOM 348 N ASP A 602 -1.202 -4.123 3.050 1.00 0.00 N ATOM 349 CA ASP A 602 -0.221 -4.529 4.048 1.00 0.00 C ATOM 350 C ASP A 602 1.122 -4.780 3.371 1.00 0.00 C ATOM 351 O ASP A 602 1.166 -4.944 2.157 1.00 0.00 O ATOM 352 CB ASP A 602 -0.686 -5.789 4.790 1.00 0.00 C ATOM 353 CG ASP A 602 0.110 -5.990 6.087 1.00 0.00 C ATOM 354 OD1 ASP A 602 0.822 -5.052 6.509 1.00 0.00 O ATOM 355 OD2 ASP A 602 0.131 -7.112 6.632 1.00 0.00 O ATOM 0 H ASP A 602 -1.078 -4.574 2.143 1.00 0.00 H new ATOM 0 HA ASP A 602 -0.113 -3.728 4.779 1.00 0.00 H new ATOM 0 HB2 ASP A 602 -1.748 -5.708 5.020 1.00 0.00 H new ATOM 0 HB3 ASP A 602 -0.565 -6.660 4.146 1.00 0.00 H new ATOM 360 N LYS A 603 2.216 -4.854 4.129 1.00 0.00 N ATOM 361 CA LYS A 603 3.563 -5.025 3.573 1.00 0.00 C ATOM 362 C LYS A 603 3.700 -6.292 2.722 1.00 0.00 C ATOM 363 O LYS A 603 4.339 -6.239 1.676 1.00 0.00 O ATOM 364 CB LYS A 603 4.684 -4.901 4.627 1.00 0.00 C ATOM 365 CG LYS A 603 4.271 -4.752 6.099 1.00 0.00 C ATOM 366 CD LYS A 603 3.778 -6.081 6.700 1.00 0.00 C ATOM 367 CE LYS A 603 3.152 -5.850 8.079 1.00 0.00 C ATOM 368 NZ LYS A 603 2.166 -6.902 8.407 1.00 0.00 N ATOM 0 H LYS A 603 2.196 -4.797 5.147 1.00 0.00 H new ATOM 0 HA LYS A 603 3.700 -4.182 2.895 1.00 0.00 H new ATOM 0 HB2 LYS A 603 5.319 -5.783 4.545 1.00 0.00 H new ATOM 0 HB3 LYS A 603 5.298 -4.040 4.363 1.00 0.00 H new ATOM 0 HG2 LYS A 603 5.119 -4.386 6.678 1.00 0.00 H new ATOM 0 HG3 LYS A 603 3.483 -4.004 6.180 1.00 0.00 H new ATOM 0 HD2 LYS A 603 3.046 -6.538 6.034 1.00 0.00 H new ATOM 0 HD3 LYS A 603 4.611 -6.779 6.785 1.00 0.00 H new ATOM 0 HE2 LYS A 603 3.935 -5.834 8.837 1.00 0.00 H new ATOM 0 HE3 LYS A 603 2.666 -4.874 8.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 603 1.477 -6.531 9.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 603 1.670 -7.195 7.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 603 2.657 -7.721 8.819 1.00 0.00 H new ATOM 382 N PHE A 604 3.051 -7.395 3.109 1.00 0.00 N ATOM 383 CA PHE A 604 2.964 -8.623 2.314 1.00 0.00 C ATOM 384 C PHE A 604 2.439 -8.318 0.906 1.00 0.00 C ATOM 385 O PHE A 604 3.030 -8.686 -0.109 1.00 0.00 O ATOM 386 CB PHE A 604 2.012 -9.593 3.043 1.00 0.00 C ATOM 387 CG PHE A 604 2.373 -9.887 4.489 1.00 0.00 C ATOM 388 CD1 PHE A 604 3.667 -10.323 4.833 1.00 0.00 C ATOM 389 CD2 PHE A 604 1.416 -9.693 5.504 1.00 0.00 C ATOM 390 CE1 PHE A 604 4.002 -10.533 6.182 1.00 0.00 C ATOM 391 CE2 PHE A 604 1.747 -9.929 6.850 1.00 0.00 C ATOM 392 CZ PHE A 604 3.044 -10.346 7.192 1.00 0.00 C ATOM 0 H PHE A 604 2.562 -7.460 4.002 1.00 0.00 H new ATOM 0 HA PHE A 604 3.952 -9.071 2.208 1.00 0.00 H new ATOM 0 HB2 PHE A 604 1.004 -9.179 3.014 1.00 0.00 H new ATOM 0 HB3 PHE A 604 1.986 -10.534 2.493 1.00 0.00 H new ATOM 0 HD1 PHE A 604 4.402 -10.496 4.061 1.00 0.00 H new ATOM 0 HD2 PHE A 604 0.421 -9.361 5.247 1.00 0.00 H new ATOM 0 HE1 PHE A 604 5.004 -10.840 6.444 1.00 0.00 H new ATOM 0 HE2 PHE A 604 1.004 -9.790 7.621 1.00 0.00 H new ATOM 0 HZ PHE A 604 3.303 -10.522 8.226 1.00 0.00 H new ATOM 402 N ARG A 605 1.317 -7.601 0.882 1.00 0.00 N ATOM 403 CA ARG A 605 0.642 -7.068 -0.284 1.00 0.00 C ATOM 404 C ARG A 605 1.594 -6.143 -1.054 1.00 0.00 C ATOM 405 O ARG A 605 1.786 -6.368 -2.240 1.00 0.00 O ATOM 406 CB ARG A 605 -0.656 -6.406 0.211 1.00 0.00 C ATOM 407 CG ARG A 605 -1.915 -7.229 -0.104 1.00 0.00 C ATOM 408 CD ARG A 605 -2.950 -6.842 0.954 1.00 0.00 C ATOM 409 NE ARG A 605 -4.337 -7.220 0.627 1.00 0.00 N ATOM 410 CZ ARG A 605 -5.338 -6.327 0.572 1.00 0.00 C ATOM 411 NH1 ARG A 605 -5.101 -5.065 0.222 1.00 0.00 N ATOM 412 NH2 ARG A 605 -6.578 -6.680 0.886 1.00 0.00 N ATOM 0 H ARG A 605 0.826 -7.364 1.744 1.00 0.00 H new ATOM 0 HA ARG A 605 0.362 -7.836 -1.005 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -0.590 -6.253 1.288 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -0.750 -5.421 -0.246 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.282 -7.011 -1.107 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -1.701 -8.297 -0.068 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -2.674 -7.308 1.900 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -2.908 -5.763 1.106 1.00 0.00 H new ATOM 0 HE ARG A 605 -4.545 -8.200 0.435 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -4.152 -4.769 -0.007 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -5.868 -4.394 0.183 1.00 0.00 H new ATOM 0 HH21 ARG A 605 -6.778 -7.638 1.173 1.00 0.00 H new ATOM 0 HH22 ARG A 605 -7.331 -5.993 0.841 1.00 0.00 H new ATOM 426 N LEU A 606 2.248 -5.173 -0.400 1.00 0.00 N ATOM 427 CA LEU A 606 3.155 -4.218 -1.033 1.00 0.00 C ATOM 428 C LEU A 606 4.265 -4.977 -1.755 1.00 0.00 C ATOM 429 O LEU A 606 4.526 -4.703 -2.925 1.00 0.00 O ATOM 430 CB LEU A 606 3.769 -3.242 -0.007 1.00 0.00 C ATOM 431 CG LEU A 606 2.790 -2.321 0.749 1.00 0.00 C ATOM 432 CD1 LEU A 606 3.538 -1.490 1.802 1.00 0.00 C ATOM 433 CD2 LEU A 606 2.017 -1.406 -0.201 1.00 0.00 C ATOM 0 H LEU A 606 2.156 -5.031 0.606 1.00 0.00 H new ATOM 0 HA LEU A 606 2.580 -3.627 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 606 4.322 -3.826 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 606 4.493 -2.615 -0.526 1.00 0.00 H new ATOM 0 HG LEU A 606 2.064 -2.960 1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 606 2.832 -0.846 2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 606 4.020 -2.157 2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 606 4.294 -0.877 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 606 1.339 -0.774 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 606 2.717 -0.779 -0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 606 1.442 -2.011 -0.902 1.00 0.00 H new ATOM 445 N LEU A 607 4.877 -5.959 -1.078 1.00 0.00 N ATOM 446 CA LEU A 607 5.905 -6.777 -1.690 1.00 0.00 C ATOM 447 C LEU A 607 5.343 -7.496 -2.920 1.00 0.00 C ATOM 448 O LEU A 607 5.971 -7.470 -3.976 1.00 0.00 O ATOM 449 CB LEU A 607 6.543 -7.758 -0.681 1.00 0.00 C ATOM 450 CG LEU A 607 7.614 -8.669 -1.333 1.00 0.00 C ATOM 451 CD1 LEU A 607 9.018 -8.154 -1.020 1.00 0.00 C ATOM 452 CD2 LEU A 607 7.466 -10.126 -0.881 1.00 0.00 C ATOM 0 H LEU A 607 4.670 -6.197 -0.108 1.00 0.00 H new ATOM 0 HA LEU A 607 6.711 -6.121 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 607 6.998 -7.192 0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 607 5.763 -8.379 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 607 7.460 -8.639 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 607 9.757 -8.806 -1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 607 9.130 -7.142 -1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 607 9.170 -8.146 0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 607 8.234 -10.735 -1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 607 7.578 -10.184 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 607 6.481 -10.497 -1.164 1.00 0.00 H new ATOM 464 N LEU A 608 4.171 -8.132 -2.808 1.00 0.00 N ATOM 465 CA LEU A 608 3.640 -8.950 -3.889 1.00 0.00 C ATOM 466 C LEU A 608 3.320 -8.086 -5.111 1.00 0.00 C ATOM 467 O LEU A 608 3.525 -8.515 -6.242 1.00 0.00 O ATOM 468 CB LEU A 608 2.397 -9.672 -3.343 1.00 0.00 C ATOM 469 CG LEU A 608 1.701 -10.599 -4.349 1.00 0.00 C ATOM 470 CD1 LEU A 608 2.586 -11.792 -4.725 1.00 0.00 C ATOM 471 CD2 LEU A 608 0.388 -11.114 -3.747 1.00 0.00 C ATOM 0 H LEU A 608 3.578 -8.092 -1.979 1.00 0.00 H new ATOM 0 HA LEU A 608 4.371 -9.686 -4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 608 2.687 -10.257 -2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 608 1.680 -8.925 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 608 1.504 -10.024 -5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 608 2.059 -12.425 -5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 608 3.511 -11.431 -5.174 1.00 0.00 H new ATOM 0 HD13 LEU A 608 2.818 -12.369 -3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 608 -0.106 -11.772 -4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 608 0.599 -11.666 -2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 608 -0.264 -10.270 -3.520 1.00 0.00 H new ATOM 483 N GLU A 609 2.853 -6.860 -4.881 1.00 0.00 N ATOM 484 CA GLU A 609 2.563 -5.858 -5.887 1.00 0.00 C ATOM 485 C GLU A 609 3.852 -5.398 -6.586 1.00 0.00 C ATOM 486 O GLU A 609 3.845 -5.261 -7.809 1.00 0.00 O ATOM 487 CB GLU A 609 1.757 -4.729 -5.234 1.00 0.00 C ATOM 488 CG GLU A 609 0.392 -5.244 -4.719 1.00 0.00 C ATOM 489 CD GLU A 609 -0.673 -5.416 -5.808 1.00 0.00 C ATOM 490 OE1 GLU A 609 -0.952 -4.446 -6.540 1.00 0.00 O ATOM 491 OE2 GLU A 609 -1.195 -6.552 -5.929 1.00 0.00 O ATOM 0 H GLU A 609 2.659 -6.529 -3.936 1.00 0.00 H new ATOM 0 HA GLU A 609 1.947 -6.271 -6.686 1.00 0.00 H new ATOM 0 HB2 GLU A 609 2.325 -4.305 -4.406 1.00 0.00 H new ATOM 0 HB3 GLU A 609 1.598 -3.927 -5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 609 0.543 -6.202 -4.222 1.00 0.00 H new ATOM 0 HG3 GLU A 609 0.016 -4.550 -3.967 1.00 0.00 H new ATOM 498 N LEU A 610 4.990 -5.278 -5.880 1.00 0.00 N ATOM 499 CA LEU A 610 6.267 -5.056 -6.567 1.00 0.00 C ATOM 500 C LEU A 610 6.592 -6.226 -7.489 1.00 0.00 C ATOM 501 O LEU A 610 7.082 -6.011 -8.595 1.00 0.00 O ATOM 502 CB LEU A 610 7.464 -4.901 -5.615 1.00 0.00 C ATOM 503 CG LEU A 610 7.840 -3.471 -5.223 1.00 0.00 C ATOM 504 CD1 LEU A 610 6.907 -2.916 -4.158 1.00 0.00 C ATOM 505 CD2 LEU A 610 9.261 -3.500 -4.668 1.00 0.00 C ATOM 0 H LEU A 610 5.050 -5.330 -4.863 1.00 0.00 H new ATOM 0 HA LEU A 610 6.129 -4.125 -7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 610 7.251 -5.460 -4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 610 8.333 -5.368 -6.079 1.00 0.00 H new ATOM 0 HG LEU A 610 7.762 -2.831 -6.102 1.00 0.00 H new ATOM 0 HD11 LEU A 610 7.207 -1.899 -3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 610 5.885 -2.910 -4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 610 6.960 -3.541 -3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 610 9.559 -2.492 -4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 610 9.298 -4.154 -3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 610 9.942 -3.875 -5.432 1.00 0.00 H new ATOM 517 N ILE A 611 6.351 -7.463 -7.043 1.00 0.00 N ATOM 518 CA ILE A 611 6.669 -8.630 -7.857 1.00 0.00 C ATOM 519 C ILE A 611 5.893 -8.539 -9.175 1.00 0.00 C ATOM 520 O ILE A 611 6.482 -8.828 -10.210 1.00 0.00 O ATOM 521 CB ILE A 611 6.449 -9.972 -7.115 1.00 0.00 C ATOM 522 CG1 ILE A 611 7.295 -10.019 -5.826 1.00 0.00 C ATOM 523 CG2 ILE A 611 6.850 -11.174 -7.995 1.00 0.00 C ATOM 524 CD1 ILE A 611 6.944 -11.152 -4.873 1.00 0.00 C ATOM 0 H ILE A 611 5.942 -7.676 -6.133 1.00 0.00 H new ATOM 0 HA ILE A 611 7.737 -8.622 -8.075 1.00 0.00 H new ATOM 0 HB ILE A 611 5.387 -10.035 -6.876 1.00 0.00 H new ATOM 0 HG12 ILE A 611 8.346 -10.107 -6.101 1.00 0.00 H new ATOM 0 HG13 ILE A 611 7.182 -9.072 -5.299 1.00 0.00 H new ATOM 0 HG21 ILE A 611 6.683 -12.100 -7.444 1.00 0.00 H new ATOM 0 HG22 ILE A 611 6.246 -11.178 -8.903 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.904 -11.095 -8.261 1.00 0.00 H new ATOM 0 HD11 ILE A 611 7.590 -11.104 -3.997 1.00 0.00 H new ATOM 0 HD12 ILE A 611 5.904 -11.057 -4.562 1.00 0.00 H new ATOM 0 HD13 ILE A 611 7.086 -12.108 -5.377 1.00 0.00 H new ATOM 536 N LYS A 612 4.639 -8.061 -9.184 1.00 0.00 N ATOM 537 CA LYS A 612 3.861 -8.022 -10.425 1.00 0.00 C ATOM 538 C LYS A 612 4.227 -6.792 -11.248 1.00 0.00 C ATOM 539 O LYS A 612 4.272 -6.888 -12.474 1.00 0.00 O ATOM 540 CB LYS A 612 2.342 -8.153 -10.214 1.00 0.00 C ATOM 541 CG LYS A 612 1.786 -7.293 -9.079 1.00 0.00 C ATOM 542 CD LYS A 612 0.261 -7.242 -9.012 1.00 0.00 C ATOM 543 CE LYS A 612 -0.301 -8.533 -8.413 1.00 0.00 C ATOM 544 NZ LYS A 612 -1.649 -8.308 -7.855 1.00 0.00 N ATOM 0 H LYS A 612 4.152 -7.703 -8.362 1.00 0.00 H new ATOM 0 HA LYS A 612 4.137 -8.911 -10.993 1.00 0.00 H new ATOM 0 HB2 LYS A 612 1.834 -7.884 -11.140 1.00 0.00 H new ATOM 0 HB3 LYS A 612 2.104 -9.197 -10.012 1.00 0.00 H new ATOM 0 HG2 LYS A 612 2.166 -7.674 -8.131 1.00 0.00 H new ATOM 0 HG3 LYS A 612 2.166 -6.278 -9.190 1.00 0.00 H new ATOM 0 HD2 LYS A 612 -0.053 -6.390 -8.409 1.00 0.00 H new ATOM 0 HD3 LYS A 612 -0.146 -7.092 -10.012 1.00 0.00 H new ATOM 0 HE2 LYS A 612 -0.344 -9.306 -9.180 1.00 0.00 H new ATOM 0 HE3 LYS A 612 0.365 -8.897 -7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 612 -2.080 -9.222 -7.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 612 -1.577 -7.718 -7.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 612 -2.241 -7.826 -8.561 1.00 0.00 H new ATOM 558 N GLU A 613 4.546 -5.662 -10.599 1.00 0.00 N ATOM 559 CA GLU A 613 4.937 -4.453 -11.312 1.00 0.00 C ATOM 560 C GLU A 613 6.306 -4.609 -11.990 1.00 0.00 C ATOM 561 O GLU A 613 6.625 -3.824 -12.880 1.00 0.00 O ATOM 562 CB GLU A 613 4.808 -3.199 -10.425 1.00 0.00 C ATOM 563 CG GLU A 613 6.088 -2.827 -9.671 1.00 0.00 C ATOM 564 CD GLU A 613 5.955 -1.557 -8.813 1.00 0.00 C ATOM 565 OE1 GLU A 613 5.617 -0.489 -9.370 1.00 0.00 O ATOM 566 OE2 GLU A 613 6.307 -1.576 -7.612 1.00 0.00 O ATOM 0 H GLU A 613 4.539 -5.568 -9.583 1.00 0.00 H new ATOM 0 HA GLU A 613 4.231 -4.299 -12.128 1.00 0.00 H new ATOM 0 HB2 GLU A 613 4.509 -2.356 -11.048 1.00 0.00 H new ATOM 0 HB3 GLU A 613 4.008 -3.360 -9.702 1.00 0.00 H new ATOM 0 HG2 GLU A 613 6.376 -3.660 -9.029 1.00 0.00 H new ATOM 0 HG3 GLU A 613 6.895 -2.686 -10.390 1.00 0.00 H new ATOM 573 N TYR A 614 7.082 -5.638 -11.611 1.00 0.00 N ATOM 574 CA TYR A 614 8.414 -5.888 -12.143 1.00 0.00 C ATOM 575 C TYR A 614 8.488 -7.204 -12.910 1.00 0.00 C ATOM 576 O TYR A 614 9.296 -7.310 -13.830 1.00 0.00 O ATOM 577 CB TYR A 614 9.477 -5.757 -11.039 1.00 0.00 C ATOM 578 CG TYR A 614 9.848 -4.304 -10.782 1.00 0.00 C ATOM 579 CD1 TYR A 614 10.519 -3.585 -11.792 1.00 0.00 C ATOM 580 CD2 TYR A 614 9.465 -3.644 -9.595 1.00 0.00 C ATOM 581 CE1 TYR A 614 10.759 -2.209 -11.644 1.00 0.00 C ATOM 582 CE2 TYR A 614 9.721 -2.267 -9.432 1.00 0.00 C ATOM 583 CZ TYR A 614 10.354 -1.539 -10.470 1.00 0.00 C ATOM 584 OH TYR A 614 10.546 -0.191 -10.383 1.00 0.00 O ATOM 0 H TYR A 614 6.789 -6.324 -10.916 1.00 0.00 H new ATOM 0 HA TYR A 614 8.637 -5.117 -12.881 1.00 0.00 H new ATOM 0 HB2 TYR A 614 9.102 -6.205 -10.119 1.00 0.00 H new ATOM 0 HB3 TYR A 614 10.369 -6.315 -11.325 1.00 0.00 H new ATOM 0 HD1 TYR A 614 10.850 -4.095 -12.684 1.00 0.00 H new ATOM 0 HD2 TYR A 614 8.973 -4.196 -8.808 1.00 0.00 H new ATOM 0 HE1 TYR A 614 11.255 -1.662 -12.432 1.00 0.00 H new ATOM 0 HE2 TYR A 614 9.435 -1.768 -8.518 1.00 0.00 H new ATOM 0 HH TYR A 614 10.589 0.073 -9.440 1.00 0.00 H new ATOM 594 N GLU A 615 7.580 -8.151 -12.654 1.00 0.00 N ATOM 595 CA GLU A 615 7.324 -9.268 -13.547 1.00 0.00 C ATOM 596 C GLU A 615 7.098 -8.759 -14.964 1.00 0.00 C ATOM 597 O GLU A 615 7.815 -9.179 -15.868 1.00 0.00 O ATOM 598 CB GLU A 615 6.153 -10.118 -13.039 1.00 0.00 C ATOM 599 CG GLU A 615 6.651 -11.300 -12.186 1.00 0.00 C ATOM 600 CD GLU A 615 5.535 -12.131 -11.539 1.00 0.00 C ATOM 601 OE1 GLU A 615 4.417 -11.605 -11.347 1.00 0.00 O ATOM 602 OE2 GLU A 615 5.829 -13.304 -11.210 1.00 0.00 O ATOM 0 H GLU A 615 7.002 -8.157 -11.814 1.00 0.00 H new ATOM 0 HA GLU A 615 8.198 -9.920 -13.565 1.00 0.00 H new ATOM 0 HB2 GLU A 615 5.480 -9.498 -12.448 1.00 0.00 H new ATOM 0 HB3 GLU A 615 5.579 -10.494 -13.886 1.00 0.00 H new ATOM 0 HG2 GLU A 615 7.257 -11.954 -12.813 1.00 0.00 H new ATOM 0 HG3 GLU A 615 7.303 -10.916 -11.401 1.00 0.00 H new ATOM 609 N ASP A 616 6.169 -7.826 -15.166 1.00 0.00 N ATOM 610 CA ASP A 616 5.804 -7.368 -16.506 1.00 0.00 C ATOM 611 C ASP A 616 6.981 -6.689 -17.212 1.00 0.00 C ATOM 612 O ASP A 616 7.096 -6.750 -18.434 1.00 0.00 O ATOM 613 CB ASP A 616 4.595 -6.430 -16.404 1.00 0.00 C ATOM 614 CG ASP A 616 3.971 -6.148 -17.772 1.00 0.00 C ATOM 615 OD1 ASP A 616 3.522 -7.131 -18.405 1.00 0.00 O ATOM 616 OD2 ASP A 616 3.895 -4.955 -18.141 1.00 0.00 O ATOM 0 H ASP A 616 5.653 -7.370 -14.414 1.00 0.00 H new ATOM 0 HA ASP A 616 5.536 -8.232 -17.114 1.00 0.00 H new ATOM 0 HB2 ASP A 616 3.846 -6.874 -15.749 1.00 0.00 H new ATOM 0 HB3 ASP A 616 4.903 -5.490 -15.945 1.00 0.00 H new ATOM 621 N ASP A 617 7.902 -6.120 -16.429 1.00 0.00 N ATOM 622 CA ASP A 617 9.091 -5.437 -16.914 1.00 0.00 C ATOM 623 C ASP A 617 10.148 -6.423 -17.392 1.00 0.00 C ATOM 624 O ASP A 617 10.780 -6.221 -18.428 1.00 0.00 O ATOM 625 CB ASP A 617 9.650 -4.602 -15.769 1.00 0.00 C ATOM 626 CG ASP A 617 10.881 -3.787 -16.158 1.00 0.00 C ATOM 627 OD1 ASP A 617 10.729 -2.869 -16.993 1.00 0.00 O ATOM 628 OD2 ASP A 617 11.954 -4.080 -15.581 1.00 0.00 O ATOM 0 H ASP A 617 7.833 -6.125 -15.411 1.00 0.00 H new ATOM 0 HA ASP A 617 8.822 -4.810 -17.764 1.00 0.00 H new ATOM 0 HB2 ASP A 617 8.874 -3.926 -15.410 1.00 0.00 H new ATOM 0 HB3 ASP A 617 9.907 -5.261 -14.940 1.00 0.00 H new ATOM 633 N TYR A 618 10.316 -7.517 -16.645 1.00 0.00 N ATOM 634 CA TYR A 618 11.278 -8.564 -16.973 1.00 0.00 C ATOM 635 C TYR A 618 10.633 -9.647 -17.841 1.00 0.00 C ATOM 636 O TYR A 618 11.314 -10.594 -18.239 1.00 0.00 O ATOM 637 CB TYR A 618 11.880 -9.119 -15.676 1.00 0.00 C ATOM 638 CG TYR A 618 13.269 -8.600 -15.371 1.00 0.00 C ATOM 639 CD1 TYR A 618 13.443 -7.310 -14.833 1.00 0.00 C ATOM 640 CD2 TYR A 618 14.390 -9.412 -15.630 1.00 0.00 C ATOM 641 CE1 TYR A 618 14.732 -6.851 -14.505 1.00 0.00 C ATOM 642 CE2 TYR A 618 15.681 -8.956 -15.314 1.00 0.00 C ATOM 643 CZ TYR A 618 15.855 -7.683 -14.722 1.00 0.00 C ATOM 644 OH TYR A 618 17.093 -7.294 -14.302 1.00 0.00 O ATOM 0 H TYR A 618 9.785 -7.699 -15.793 1.00 0.00 H new ATOM 0 HA TYR A 618 12.091 -8.148 -17.568 1.00 0.00 H new ATOM 0 HB2 TYR A 618 11.220 -8.870 -14.845 1.00 0.00 H new ATOM 0 HB3 TYR A 618 11.915 -10.207 -15.740 1.00 0.00 H new ATOM 0 HD1 TYR A 618 12.586 -6.673 -14.672 1.00 0.00 H new ATOM 0 HD2 TYR A 618 14.257 -10.388 -16.073 1.00 0.00 H new ATOM 0 HE1 TYR A 618 14.864 -5.864 -14.088 1.00 0.00 H new ATOM 0 HE2 TYR A 618 16.540 -9.577 -15.523 1.00 0.00 H new ATOM 0 HH TYR A 618 17.576 -8.069 -13.945 1.00 0.00 H new ATOM 654 N GLY A 619 9.332 -9.525 -18.127 1.00 0.00 N ATOM 655 CA GLY A 619 8.601 -10.528 -18.900 1.00 0.00 C ATOM 656 C GLY A 619 8.300 -11.795 -18.086 1.00 0.00 C ATOM 657 O GLY A 619 8.073 -12.860 -18.656 1.00 0.00 O ATOM 0 H GLY A 619 8.762 -8.733 -17.830 1.00 0.00 H new ATOM 0 HA2 GLY A 619 7.665 -10.097 -19.254 1.00 0.00 H new ATOM 0 HA3 GLY A 619 9.182 -10.797 -19.782 1.00 0.00 H new ATOM 661 N GLY A 620 8.300 -11.676 -16.756 1.00 0.00 N ATOM 662 CA GLY A 620 7.835 -12.656 -15.788 1.00 0.00 C ATOM 663 C GLY A 620 8.916 -13.044 -14.783 1.00 0.00 C ATOM 664 O GLY A 620 9.089 -14.231 -14.491 1.00 0.00 O ATOM 0 H GLY A 620 8.650 -10.832 -16.302 1.00 0.00 H new ATOM 0 HA2 GLY A 620 6.974 -12.254 -15.254 1.00 0.00 H new ATOM 0 HA3 GLY A 620 7.495 -13.548 -16.314 1.00 0.00 H new ATOM 668 N ARG A 621 9.666 -12.064 -14.264 1.00 0.00 N ATOM 669 CA ARG A 621 10.701 -12.237 -13.244 1.00 0.00 C ATOM 670 C ARG A 621 10.764 -10.954 -12.408 1.00 0.00 C ATOM 671 O ARG A 621 10.385 -9.914 -12.922 1.00 0.00 O ATOM 672 CB ARG A 621 12.052 -12.459 -13.956 1.00 0.00 C ATOM 673 CG ARG A 621 12.935 -13.487 -13.245 1.00 0.00 C ATOM 674 CD ARG A 621 12.959 -14.862 -13.923 1.00 0.00 C ATOM 675 NE ARG A 621 11.601 -15.382 -14.127 1.00 0.00 N ATOM 676 CZ ARG A 621 11.232 -16.618 -14.471 1.00 0.00 C ATOM 677 NH1 ARG A 621 12.124 -17.605 -14.570 1.00 0.00 N ATOM 678 NH2 ARG A 621 9.944 -16.837 -14.720 1.00 0.00 N ATOM 0 H ARG A 621 9.562 -11.092 -14.556 1.00 0.00 H new ATOM 0 HA ARG A 621 10.481 -13.089 -12.601 1.00 0.00 H new ATOM 0 HB2 ARG A 621 11.869 -12.789 -14.978 1.00 0.00 H new ATOM 0 HB3 ARG A 621 12.585 -11.510 -14.018 1.00 0.00 H new ATOM 0 HG2 ARG A 621 13.953 -13.102 -13.192 1.00 0.00 H new ATOM 0 HG3 ARG A 621 12.585 -13.605 -12.220 1.00 0.00 H new ATOM 0 HD2 ARG A 621 13.470 -14.787 -14.883 1.00 0.00 H new ATOM 0 HD3 ARG A 621 13.530 -15.561 -13.312 1.00 0.00 H new ATOM 0 HE ARG A 621 10.843 -14.714 -13.988 1.00 0.00 H new ATOM 0 HH11 ARG A 621 13.110 -17.422 -14.381 1.00 0.00 H new ATOM 0 HH12 ARG A 621 11.820 -18.542 -14.834 1.00 0.00 H new ATOM 0 HH21 ARG A 621 9.273 -16.072 -14.646 1.00 0.00 H new ATOM 0 HH22 ARG A 621 9.627 -17.770 -14.985 1.00 0.00 H new ATOM 692 N ALA A 622 11.282 -10.970 -11.178 1.00 0.00 N ATOM 693 CA ALA A 622 11.416 -9.745 -10.385 1.00 0.00 C ATOM 694 C ALA A 622 12.683 -9.799 -9.510 1.00 0.00 C ATOM 695 O ALA A 622 12.712 -10.587 -8.570 1.00 0.00 O ATOM 696 CB ALA A 622 10.145 -9.540 -9.554 1.00 0.00 C ATOM 0 H ALA A 622 11.614 -11.813 -10.711 1.00 0.00 H new ATOM 0 HA ALA A 622 11.531 -8.887 -11.047 1.00 0.00 H new ATOM 0 HB1 ALA A 622 10.240 -8.630 -8.962 1.00 0.00 H new ATOM 0 HB2 ALA A 622 9.286 -9.452 -10.219 1.00 0.00 H new ATOM 0 HB3 ALA A 622 10.004 -10.392 -8.889 1.00 0.00 H new ATOM 702 N PRO A 623 13.747 -9.024 -9.798 1.00 0.00 N ATOM 703 CA PRO A 623 15.020 -9.094 -9.076 1.00 0.00 C ATOM 704 C PRO A 623 14.861 -8.751 -7.591 1.00 0.00 C ATOM 705 O PRO A 623 14.443 -7.647 -7.235 1.00 0.00 O ATOM 706 CB PRO A 623 15.982 -8.143 -9.791 1.00 0.00 C ATOM 707 CG PRO A 623 15.066 -7.221 -10.593 1.00 0.00 C ATOM 708 CD PRO A 623 13.814 -8.037 -10.861 1.00 0.00 C ATOM 0 HA PRO A 623 15.412 -10.111 -9.086 1.00 0.00 H new ATOM 0 HB2 PRO A 623 16.590 -7.582 -9.081 1.00 0.00 H new ATOM 0 HB3 PRO A 623 16.670 -8.685 -10.440 1.00 0.00 H new ATOM 0 HG2 PRO A 623 14.833 -6.315 -10.034 1.00 0.00 H new ATOM 0 HG3 PRO A 623 15.539 -6.909 -11.524 1.00 0.00 H new ATOM 0 HD2 PRO A 623 12.927 -7.403 -10.862 1.00 0.00 H new ATOM 0 HD3 PRO A 623 13.863 -8.518 -11.838 1.00 0.00 H new ATOM 716 N THR A 624 15.218 -9.691 -6.716 1.00 0.00 N ATOM 717 CA THR A 624 14.916 -9.673 -5.293 1.00 0.00 C ATOM 718 C THR A 624 15.621 -8.495 -4.619 1.00 0.00 C ATOM 719 O THR A 624 15.046 -7.832 -3.754 1.00 0.00 O ATOM 720 CB THR A 624 15.324 -11.037 -4.690 1.00 0.00 C ATOM 721 OG1 THR A 624 14.849 -12.077 -5.525 1.00 0.00 O ATOM 722 CG2 THR A 624 14.749 -11.228 -3.288 1.00 0.00 C ATOM 0 H THR A 624 15.747 -10.517 -6.995 1.00 0.00 H new ATOM 0 HA THR A 624 13.849 -9.531 -5.124 1.00 0.00 H new ATOM 0 HB THR A 624 16.412 -11.062 -4.621 1.00 0.00 H new ATOM 0 HG1 THR A 624 14.729 -12.893 -4.995 1.00 0.00 H new ATOM 0 HG21 THR A 624 15.057 -12.198 -2.897 1.00 0.00 H new ATOM 0 HG22 THR A 624 15.118 -10.439 -2.633 1.00 0.00 H new ATOM 0 HG23 THR A 624 13.661 -11.184 -3.332 1.00 0.00 H new ATOM 730 N ASN A 625 16.843 -8.168 -5.060 1.00 0.00 N ATOM 731 CA ASN A 625 17.557 -7.024 -4.516 1.00 0.00 C ATOM 732 C ASN A 625 16.917 -5.695 -4.933 1.00 0.00 C ATOM 733 O ASN A 625 17.020 -4.712 -4.189 1.00 0.00 O ATOM 734 CB ASN A 625 19.042 -7.066 -4.899 1.00 0.00 C ATOM 735 CG ASN A 625 19.740 -8.274 -4.285 1.00 0.00 C ATOM 736 OD1 ASN A 625 19.982 -9.263 -4.967 1.00 0.00 O ATOM 737 ND2 ASN A 625 20.042 -8.235 -2.993 1.00 0.00 N ATOM 0 H ASN A 625 17.347 -8.679 -5.785 1.00 0.00 H new ATOM 0 HA ASN A 625 17.485 -7.088 -3.430 1.00 0.00 H new ATOM 0 HB2 ASN A 625 19.139 -7.100 -5.984 1.00 0.00 H new ATOM 0 HB3 ASN A 625 19.532 -6.152 -4.564 1.00 0.00 H new ATOM 0 HD21 ASN A 625 20.485 -9.039 -2.548 1.00 0.00 H new ATOM 0 HD22 ASN A 625 19.831 -7.401 -2.445 1.00 0.00 H new ATOM 744 N ILE A 626 16.233 -5.649 -6.087 1.00 0.00 N ATOM 745 CA ILE A 626 15.488 -4.462 -6.478 1.00 0.00 C ATOM 746 C ILE A 626 14.204 -4.416 -5.661 1.00 0.00 C ATOM 747 O ILE A 626 13.928 -3.356 -5.126 1.00 0.00 O ATOM 748 CB ILE A 626 15.231 -4.419 -7.994 1.00 0.00 C ATOM 749 CG1 ILE A 626 16.540 -4.480 -8.818 1.00 0.00 C ATOM 750 CG2 ILE A 626 14.400 -3.193 -8.400 1.00 0.00 C ATOM 751 CD1 ILE A 626 17.556 -3.365 -8.535 1.00 0.00 C ATOM 0 H ILE A 626 16.186 -6.418 -6.755 1.00 0.00 H new ATOM 0 HA ILE A 626 16.075 -3.569 -6.266 1.00 0.00 H new ATOM 0 HB ILE A 626 14.654 -5.314 -8.225 1.00 0.00 H new ATOM 0 HG12 ILE A 626 17.021 -5.440 -8.632 1.00 0.00 H new ATOM 0 HG13 ILE A 626 16.283 -4.452 -9.877 1.00 0.00 H new ATOM 0 HG21 ILE A 626 14.242 -3.202 -9.478 1.00 0.00 H new ATOM 0 HG22 ILE A 626 13.436 -3.222 -7.892 1.00 0.00 H new ATOM 0 HG23 ILE A 626 14.931 -2.284 -8.119 1.00 0.00 H new ATOM 0 HD11 ILE A 626 18.434 -3.504 -9.166 1.00 0.00 H new ATOM 0 HD12 ILE A 626 17.104 -2.397 -8.751 1.00 0.00 H new ATOM 0 HD13 ILE A 626 17.853 -3.401 -7.487 1.00 0.00 H new ATOM 763 N LEU A 627 13.475 -5.528 -5.479 1.00 0.00 N ATOM 764 CA LEU A 627 12.323 -5.596 -4.567 1.00 0.00 C ATOM 765 C LEU A 627 12.663 -5.017 -3.195 1.00 0.00 C ATOM 766 O LEU A 627 11.902 -4.207 -2.678 1.00 0.00 O ATOM 767 CB LEU A 627 11.841 -7.046 -4.405 1.00 0.00 C ATOM 768 CG LEU A 627 10.834 -7.456 -5.492 1.00 0.00 C ATOM 769 CD1 LEU A 627 11.283 -8.705 -6.251 1.00 0.00 C ATOM 770 CD2 LEU A 627 9.465 -7.654 -4.858 1.00 0.00 C ATOM 0 H LEU A 627 13.668 -6.406 -5.961 1.00 0.00 H new ATOM 0 HA LEU A 627 11.526 -4.999 -5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 627 12.700 -7.717 -4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 627 11.381 -7.165 -3.424 1.00 0.00 H new ATOM 0 HG LEU A 627 10.776 -6.656 -6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 627 10.541 -8.957 -7.008 1.00 0.00 H new ATOM 0 HD12 LEU A 627 12.242 -8.513 -6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 627 11.387 -9.537 -5.554 1.00 0.00 H new ATOM 0 HD21 LEU A 627 8.747 -7.945 -5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 627 9.524 -8.436 -4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 627 9.141 -6.723 -4.393 1.00 0.00 H new ATOM 782 N ILE A 628 13.797 -5.413 -2.615 1.00 0.00 N ATOM 783 CA ILE A 628 14.277 -4.880 -1.342 1.00 0.00 C ATOM 784 C ILE A 628 14.455 -3.360 -1.451 1.00 0.00 C ATOM 785 O ILE A 628 13.807 -2.605 -0.719 1.00 0.00 O ATOM 786 CB ILE A 628 15.546 -5.651 -0.913 1.00 0.00 C ATOM 787 CG1 ILE A 628 15.175 -7.092 -0.485 1.00 0.00 C ATOM 788 CG2 ILE A 628 16.254 -4.920 0.235 1.00 0.00 C ATOM 789 CD1 ILE A 628 16.366 -8.058 -0.492 1.00 0.00 C ATOM 0 H ILE A 628 14.412 -6.119 -3.020 1.00 0.00 H new ATOM 0 HA ILE A 628 13.548 -5.032 -0.546 1.00 0.00 H new ATOM 0 HB ILE A 628 16.227 -5.702 -1.762 1.00 0.00 H new ATOM 0 HG12 ILE A 628 14.745 -7.066 0.516 1.00 0.00 H new ATOM 0 HG13 ILE A 628 14.404 -7.474 -1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 628 17.146 -5.476 0.525 1.00 0.00 H new ATOM 0 HG22 ILE A 628 16.540 -3.920 -0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 628 15.580 -4.844 1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 628 16.033 -9.048 -0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 628 16.783 -8.114 -1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 628 17.129 -7.699 0.198 1.00 0.00 H new ATOM 801 N THR A 629 15.317 -2.925 -2.375 1.00 0.00 N ATOM 802 CA THR A 629 15.662 -1.524 -2.594 1.00 0.00 C ATOM 803 C THR A 629 14.387 -0.687 -2.766 1.00 0.00 C ATOM 804 O THR A 629 14.162 0.275 -2.036 1.00 0.00 O ATOM 805 CB THR A 629 16.602 -1.425 -3.812 1.00 0.00 C ATOM 806 OG1 THR A 629 17.718 -2.284 -3.649 1.00 0.00 O ATOM 807 CG2 THR A 629 17.131 -0.002 -4.015 1.00 0.00 C ATOM 0 H THR A 629 15.806 -3.559 -3.007 1.00 0.00 H new ATOM 0 HA THR A 629 16.188 -1.121 -1.729 1.00 0.00 H new ATOM 0 HB THR A 629 16.013 -1.717 -4.682 1.00 0.00 H new ATOM 0 HG1 THR A 629 17.578 -3.104 -4.166 1.00 0.00 H new ATOM 0 HG21 THR A 629 17.789 0.021 -4.884 1.00 0.00 H new ATOM 0 HG22 THR A 629 16.294 0.678 -4.175 1.00 0.00 H new ATOM 0 HG23 THR A 629 17.687 0.309 -3.131 1.00 0.00 H new ATOM 815 N GLU A 630 13.527 -1.101 -3.695 1.00 0.00 N ATOM 816 CA GLU A 630 12.268 -0.470 -4.037 1.00 0.00 C ATOM 817 C GLU A 630 11.302 -0.483 -2.864 1.00 0.00 C ATOM 818 O GLU A 630 10.633 0.515 -2.656 1.00 0.00 O ATOM 819 CB GLU A 630 11.647 -1.182 -5.244 1.00 0.00 C ATOM 820 CG GLU A 630 12.289 -0.773 -6.573 1.00 0.00 C ATOM 821 CD GLU A 630 11.681 0.524 -7.104 1.00 0.00 C ATOM 822 OE1 GLU A 630 11.348 1.419 -6.294 1.00 0.00 O ATOM 823 OE2 GLU A 630 11.440 0.585 -8.330 1.00 0.00 O ATOM 0 H GLU A 630 13.707 -1.933 -4.257 1.00 0.00 H new ATOM 0 HA GLU A 630 12.465 0.572 -4.290 1.00 0.00 H new ATOM 0 HB2 GLU A 630 11.747 -2.260 -5.115 1.00 0.00 H new ATOM 0 HB3 GLU A 630 10.580 -0.963 -5.279 1.00 0.00 H new ATOM 0 HG2 GLU A 630 13.363 -0.645 -6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 630 12.153 -1.568 -7.306 1.00 0.00 H new ATOM 830 N MET A 631 11.221 -1.537 -2.050 1.00 0.00 N ATOM 831 CA MET A 631 10.360 -1.508 -0.868 1.00 0.00 C ATOM 832 C MET A 631 10.844 -0.444 0.116 1.00 0.00 C ATOM 833 O MET A 631 10.007 0.226 0.731 1.00 0.00 O ATOM 834 CB MET A 631 10.345 -2.875 -0.192 1.00 0.00 C ATOM 835 CG MET A 631 9.373 -3.867 -0.839 1.00 0.00 C ATOM 836 SD MET A 631 7.605 -3.552 -0.585 1.00 0.00 S ATOM 837 CE MET A 631 7.478 -3.838 1.191 1.00 0.00 C ATOM 0 H MET A 631 11.733 -2.409 -2.185 1.00 0.00 H new ATOM 0 HA MET A 631 9.347 -1.259 -1.184 1.00 0.00 H new ATOM 0 HB2 MET A 631 11.351 -3.295 -0.217 1.00 0.00 H new ATOM 0 HB3 MET A 631 10.078 -2.749 0.857 1.00 0.00 H new ATOM 0 HG2 MET A 631 9.566 -3.883 -1.912 1.00 0.00 H new ATOM 0 HG3 MET A 631 9.600 -4.863 -0.460 1.00 0.00 H new ATOM 0 HE1 MET A 631 6.775 -4.650 1.379 1.00 0.00 H new ATOM 0 HE2 MET A 631 8.457 -4.107 1.587 1.00 0.00 H new ATOM 0 HE3 MET A 631 7.125 -2.931 1.681 1.00 0.00 H new ATOM 847 N MET A 632 12.164 -0.242 0.243 1.00 0.00 N ATOM 848 CA MET A 632 12.633 0.877 1.057 1.00 0.00 C ATOM 849 C MET A 632 12.277 2.215 0.404 1.00 0.00 C ATOM 850 O MET A 632 11.949 3.161 1.114 1.00 0.00 O ATOM 851 CB MET A 632 14.142 0.842 1.339 1.00 0.00 C ATOM 852 CG MET A 632 14.853 -0.482 1.303 1.00 0.00 C ATOM 853 SD MET A 632 16.396 -0.293 2.220 1.00 0.00 S ATOM 854 CE MET A 632 17.006 -1.892 1.790 1.00 0.00 C ATOM 0 H MET A 632 12.892 -0.812 -0.187 1.00 0.00 H new ATOM 0 HA MET A 632 12.120 0.775 2.013 1.00 0.00 H new ATOM 0 HB2 MET A 632 14.628 1.498 0.617 1.00 0.00 H new ATOM 0 HB3 MET A 632 14.304 1.277 2.325 1.00 0.00 H new ATOM 0 HG2 MET A 632 14.235 -1.261 1.749 1.00 0.00 H new ATOM 0 HG3 MET A 632 15.052 -0.782 0.274 1.00 0.00 H new ATOM 0 HE1 MET A 632 17.863 -2.136 2.418 1.00 0.00 H new ATOM 0 HE2 MET A 632 16.222 -2.634 1.942 1.00 0.00 H new ATOM 0 HE3 MET A 632 17.311 -1.896 0.744 1.00 0.00 H new ATOM 864 N ASP A 633 12.314 2.296 -0.928 1.00 0.00 N ATOM 865 CA ASP A 633 12.153 3.544 -1.672 1.00 0.00 C ATOM 866 C ASP A 633 10.698 3.978 -1.640 1.00 0.00 C ATOM 867 O ASP A 633 10.352 5.114 -1.324 1.00 0.00 O ATOM 868 CB ASP A 633 12.581 3.340 -3.139 1.00 0.00 C ATOM 869 CG ASP A 633 13.439 4.506 -3.629 1.00 0.00 C ATOM 870 OD1 ASP A 633 14.648 4.503 -3.304 1.00 0.00 O ATOM 871 OD2 ASP A 633 12.875 5.398 -4.302 1.00 0.00 O ATOM 0 H ASP A 633 12.459 1.484 -1.527 1.00 0.00 H new ATOM 0 HA ASP A 633 12.777 4.310 -1.211 1.00 0.00 H new ATOM 0 HB2 ASP A 633 13.140 2.409 -3.232 1.00 0.00 H new ATOM 0 HB3 ASP A 633 11.697 3.245 -3.769 1.00 0.00 H new ATOM 876 N ARG A 634 9.844 3.015 -1.982 1.00 0.00 N ATOM 877 CA ARG A 634 8.425 3.180 -2.177 1.00 0.00 C ATOM 878 C ARG A 634 7.738 3.278 -0.818 1.00 0.00 C ATOM 879 O ARG A 634 6.781 4.040 -0.688 1.00 0.00 O ATOM 880 CB ARG A 634 7.918 1.970 -2.979 1.00 0.00 C ATOM 881 CG ARG A 634 8.423 1.885 -4.440 1.00 0.00 C ATOM 882 CD ARG A 634 7.878 0.596 -5.103 1.00 0.00 C ATOM 883 NE ARG A 634 7.612 0.609 -6.563 1.00 0.00 N ATOM 884 CZ ARG A 634 8.086 1.363 -7.568 1.00 0.00 C ATOM 885 NH1 ARG A 634 9.110 2.199 -7.430 1.00 0.00 N ATOM 886 NH2 ARG A 634 7.518 1.273 -8.770 1.00 0.00 N ATOM 0 H ARG A 634 10.150 2.054 -2.136 1.00 0.00 H new ATOM 0 HA ARG A 634 8.202 4.094 -2.728 1.00 0.00 H new ATOM 0 HB2 ARG A 634 8.213 1.060 -2.457 1.00 0.00 H new ATOM 0 HB3 ARG A 634 6.828 1.993 -2.990 1.00 0.00 H new ATOM 0 HG2 ARG A 634 8.096 2.761 -5.000 1.00 0.00 H new ATOM 0 HG3 ARG A 634 9.513 1.883 -4.459 1.00 0.00 H new ATOM 0 HD2 ARG A 634 8.589 -0.206 -4.903 1.00 0.00 H new ATOM 0 HD3 ARG A 634 6.948 0.331 -4.599 1.00 0.00 H new ATOM 0 HE ARG A 634 6.936 -0.093 -6.862 1.00 0.00 H new ATOM 0 HH11 ARG A 634 9.576 2.291 -6.527 1.00 0.00 H new ATOM 0 HH12 ARG A 634 9.430 2.749 -8.227 1.00 0.00 H new ATOM 0 HH21 ARG A 634 6.734 0.638 -8.917 1.00 0.00 H new ATOM 0 HH22 ARG A 634 7.867 1.840 -9.543 1.00 0.00 H new ATOM 900 N TYR A 635 8.193 2.502 0.182 1.00 0.00 N ATOM 901 CA TYR A 635 7.412 2.246 1.388 1.00 0.00 C ATOM 902 C TYR A 635 8.219 2.260 2.692 1.00 0.00 C ATOM 903 O TYR A 635 7.640 2.010 3.748 1.00 0.00 O ATOM 904 CB TYR A 635 6.678 0.911 1.210 1.00 0.00 C ATOM 905 CG TYR A 635 5.793 0.827 -0.027 1.00 0.00 C ATOM 906 CD1 TYR A 635 4.760 1.765 -0.228 1.00 0.00 C ATOM 907 CD2 TYR A 635 6.015 -0.177 -0.989 1.00 0.00 C ATOM 908 CE1 TYR A 635 3.979 1.728 -1.397 1.00 0.00 C ATOM 909 CE2 TYR A 635 5.219 -0.239 -2.146 1.00 0.00 C ATOM 910 CZ TYR A 635 4.212 0.725 -2.366 1.00 0.00 C ATOM 911 OH TYR A 635 3.462 0.663 -3.501 1.00 0.00 O ATOM 0 H TYR A 635 9.104 2.043 0.170 1.00 0.00 H new ATOM 0 HA TYR A 635 6.710 3.072 1.499 1.00 0.00 H new ATOM 0 HB2 TYR A 635 7.416 0.110 1.166 1.00 0.00 H new ATOM 0 HB3 TYR A 635 6.063 0.730 2.092 1.00 0.00 H new ATOM 0 HD1 TYR A 635 4.567 2.518 0.522 1.00 0.00 H new ATOM 0 HD2 TYR A 635 6.800 -0.903 -0.837 1.00 0.00 H new ATOM 0 HE1 TYR A 635 3.204 2.463 -1.554 1.00 0.00 H new ATOM 0 HE2 TYR A 635 5.378 -1.026 -2.868 1.00 0.00 H new ATOM 0 HH TYR A 635 3.764 -0.089 -4.052 1.00 0.00 H new ATOM 921 N ASN A 636 9.521 2.574 2.651 1.00 0.00 N ATOM 922 CA ASN A 636 10.400 2.676 3.825 1.00 0.00 C ATOM 923 C ASN A 636 10.391 1.383 4.670 1.00 0.00 C ATOM 924 O ASN A 636 10.489 1.421 5.898 1.00 0.00 O ATOM 925 CB ASN A 636 10.058 3.970 4.596 1.00 0.00 C ATOM 926 CG ASN A 636 11.166 4.487 5.517 1.00 0.00 C ATOM 927 OD1 ASN A 636 11.767 5.522 5.257 1.00 0.00 O ATOM 928 ND2 ASN A 636 11.443 3.814 6.622 1.00 0.00 N ATOM 0 H ASN A 636 10.006 2.770 1.775 1.00 0.00 H new ATOM 0 HA ASN A 636 11.441 2.763 3.513 1.00 0.00 H new ATOM 0 HB2 ASN A 636 9.812 4.750 3.875 1.00 0.00 H new ATOM 0 HB3 ASN A 636 9.163 3.794 5.193 1.00 0.00 H new ATOM 0 HD21 ASN A 636 12.160 4.157 7.262 1.00 0.00 H new ATOM 0 HD22 ASN A 636 10.940 2.953 6.834 1.00 0.00 H new ATOM 935 N VAL A 637 10.277 0.220 4.020 1.00 0.00 N ATOM 936 CA VAL A 637 10.446 -1.081 4.662 1.00 0.00 C ATOM 937 C VAL A 637 11.909 -1.490 4.480 1.00 0.00 C ATOM 938 O VAL A 637 12.362 -1.678 3.353 1.00 0.00 O ATOM 939 CB VAL A 637 9.477 -2.108 4.054 1.00 0.00 C ATOM 940 CG1 VAL A 637 9.563 -3.439 4.799 1.00 0.00 C ATOM 941 CG2 VAL A 637 8.015 -1.652 4.140 1.00 0.00 C ATOM 0 H VAL A 637 10.063 0.158 3.025 1.00 0.00 H new ATOM 0 HA VAL A 637 10.212 -1.031 5.725 1.00 0.00 H new ATOM 0 HB VAL A 637 9.773 -2.213 3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 637 8.869 -4.151 4.353 1.00 0.00 H new ATOM 0 HG12 VAL A 637 10.578 -3.830 4.730 1.00 0.00 H new ATOM 0 HG13 VAL A 637 9.303 -3.287 5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 637 7.370 -2.411 3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 637 7.740 -1.507 5.185 1.00 0.00 H new ATOM 0 HG23 VAL A 637 7.894 -0.713 3.599 1.00 0.00 H new ATOM 951 N SER A 638 12.648 -1.602 5.585 1.00 0.00 N ATOM 952 CA SER A 638 14.056 -1.984 5.605 1.00 0.00 C ATOM 953 C SER A 638 14.230 -3.444 5.185 1.00 0.00 C ATOM 954 O SER A 638 13.349 -4.270 5.432 1.00 0.00 O ATOM 955 CB SER A 638 14.614 -1.800 7.022 1.00 0.00 C ATOM 956 OG SER A 638 14.209 -0.563 7.577 1.00 0.00 O ATOM 0 H SER A 638 12.270 -1.424 6.516 1.00 0.00 H new ATOM 0 HA SER A 638 14.596 -1.350 4.902 1.00 0.00 H new ATOM 0 HB2 SER A 638 14.272 -2.616 7.659 1.00 0.00 H new ATOM 0 HB3 SER A 638 15.703 -1.850 6.996 1.00 0.00 H new ATOM 0 HG SER A 638 14.578 -0.474 8.481 1.00 0.00 H new ATOM 962 N GLU A 639 15.409 -3.784 4.648 1.00 0.00 N ATOM 963 CA GLU A 639 15.752 -5.092 4.097 1.00 0.00 C ATOM 964 C GLU A 639 15.422 -6.233 5.056 1.00 0.00 C ATOM 965 O GLU A 639 14.918 -7.262 4.618 1.00 0.00 O ATOM 966 CB GLU A 639 17.246 -5.086 3.726 1.00 0.00 C ATOM 967 CG GLU A 639 17.772 -6.456 3.286 1.00 0.00 C ATOM 968 CD GLU A 639 19.189 -6.352 2.713 1.00 0.00 C ATOM 969 OE1 GLU A 639 20.119 -6.153 3.525 1.00 0.00 O ATOM 970 OE2 GLU A 639 19.322 -6.450 1.472 1.00 0.00 O ATOM 0 H GLU A 639 16.182 -3.121 4.585 1.00 0.00 H new ATOM 0 HA GLU A 639 15.148 -5.269 3.207 1.00 0.00 H new ATOM 0 HB2 GLU A 639 17.410 -4.368 2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 639 17.824 -4.742 4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 639 17.771 -7.138 4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 639 17.105 -6.880 2.536 1.00 0.00 H new ATOM 977 N GLU A 640 15.638 -6.026 6.358 1.00 0.00 N ATOM 978 CA GLU A 640 15.405 -7.033 7.382 1.00 0.00 C ATOM 979 C GLU A 640 13.933 -7.436 7.405 1.00 0.00 C ATOM 980 O GLU A 640 13.605 -8.603 7.611 1.00 0.00 O ATOM 981 CB GLU A 640 15.826 -6.451 8.743 1.00 0.00 C ATOM 982 CG GLU A 640 15.847 -7.481 9.884 1.00 0.00 C ATOM 983 CD GLU A 640 15.545 -6.819 11.230 1.00 0.00 C ATOM 984 OE1 GLU A 640 16.472 -6.219 11.812 1.00 0.00 O ATOM 985 OE2 GLU A 640 14.363 -6.895 11.646 1.00 0.00 O ATOM 0 H GLU A 640 15.984 -5.141 6.729 1.00 0.00 H new ATOM 0 HA GLU A 640 15.992 -7.925 7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 640 16.818 -6.010 8.647 1.00 0.00 H new ATOM 0 HB3 GLU A 640 15.143 -5.644 9.008 1.00 0.00 H new ATOM 0 HG2 GLU A 640 15.113 -8.262 9.687 1.00 0.00 H new ATOM 0 HG3 GLU A 640 16.823 -7.964 9.924 1.00 0.00 H new ATOM 992 N LYS A 641 13.040 -6.468 7.171 1.00 0.00 N ATOM 993 CA LYS A 641 11.625 -6.751 7.060 1.00 0.00 C ATOM 994 C LYS A 641 11.314 -7.305 5.681 1.00 0.00 C ATOM 995 O LYS A 641 10.549 -8.260 5.595 1.00 0.00 O ATOM 996 CB LYS A 641 10.783 -5.500 7.368 1.00 0.00 C ATOM 997 CG LYS A 641 9.761 -5.694 8.498 1.00 0.00 C ATOM 998 CD LYS A 641 10.365 -5.586 9.903 1.00 0.00 C ATOM 999 CE LYS A 641 11.338 -6.733 10.192 1.00 0.00 C ATOM 1000 NZ LYS A 641 11.737 -6.803 11.610 1.00 0.00 N ATOM 0 H LYS A 641 13.283 -5.484 7.056 1.00 0.00 H new ATOM 0 HA LYS A 641 11.360 -7.506 7.801 1.00 0.00 H new ATOM 0 HB2 LYS A 641 11.452 -4.682 7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 641 10.255 -5.199 6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 641 8.972 -4.949 8.394 1.00 0.00 H new ATOM 0 HG3 LYS A 641 9.293 -6.672 8.388 1.00 0.00 H new ATOM 0 HD2 LYS A 641 10.886 -4.634 10.003 1.00 0.00 H new ATOM 0 HD3 LYS A 641 9.566 -5.592 10.644 1.00 0.00 H new ATOM 0 HE2 LYS A 641 10.876 -7.677 9.903 1.00 0.00 H new ATOM 0 HE3 LYS A 641 12.228 -6.612 9.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 641 12.691 -7.210 11.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 641 11.737 -5.846 12.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 641 11.065 -7.402 12.131 1.00 0.00 H new ATOM 1014 N VAL A 642 11.883 -6.737 4.611 1.00 0.00 N ATOM 1015 CA VAL A 642 11.516 -7.139 3.263 1.00 0.00 C ATOM 1016 C VAL A 642 11.888 -8.606 3.067 1.00 0.00 C ATOM 1017 O VAL A 642 11.035 -9.365 2.620 1.00 0.00 O ATOM 1018 CB VAL A 642 12.105 -6.227 2.170 1.00 0.00 C ATOM 1019 CG1 VAL A 642 11.483 -6.609 0.823 1.00 0.00 C ATOM 1020 CG2 VAL A 642 11.808 -4.744 2.389 1.00 0.00 C ATOM 0 H VAL A 642 12.592 -6.005 4.659 1.00 0.00 H new ATOM 0 HA VAL A 642 10.438 -7.025 3.153 1.00 0.00 H new ATOM 0 HB VAL A 642 13.185 -6.369 2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 642 11.891 -5.971 0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 642 11.712 -7.651 0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 642 10.402 -6.478 0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 642 12.252 -4.161 1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 642 10.729 -4.587 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 642 12.230 -4.425 3.342 1.00 0.00 H new ATOM 1030 N GLU A 643 13.088 -9.035 3.480 1.00 0.00 N ATOM 1031 CA GLU A 643 13.511 -10.428 3.369 1.00 0.00 C ATOM 1032 C GLU A 643 12.568 -11.382 4.113 1.00 0.00 C ATOM 1033 O GLU A 643 12.412 -12.548 3.751 1.00 0.00 O ATOM 1034 CB GLU A 643 14.953 -10.598 3.878 1.00 0.00 C ATOM 1035 CG GLU A 643 15.994 -10.313 2.787 1.00 0.00 C ATOM 1036 CD GLU A 643 16.041 -11.451 1.757 1.00 0.00 C ATOM 1037 OE1 GLU A 643 15.212 -11.417 0.820 1.00 0.00 O ATOM 1038 OE2 GLU A 643 16.879 -12.361 1.939 1.00 0.00 O ATOM 0 H GLU A 643 13.788 -8.423 3.899 1.00 0.00 H new ATOM 0 HA GLU A 643 13.472 -10.691 2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 643 15.120 -9.927 4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 643 15.088 -11.614 4.249 1.00 0.00 H new ATOM 0 HG2 GLU A 643 15.753 -9.375 2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 643 16.977 -10.189 3.241 1.00 0.00 H new ATOM 1045 N GLU A 644 11.887 -10.880 5.138 1.00 0.00 N ATOM 1046 CA GLU A 644 10.894 -11.619 5.876 1.00 0.00 C ATOM 1047 C GLU A 644 9.555 -11.669 5.133 1.00 0.00 C ATOM 1048 O GLU A 644 8.918 -12.720 5.102 1.00 0.00 O ATOM 1049 CB GLU A 644 10.838 -11.014 7.275 1.00 0.00 C ATOM 1050 CG GLU A 644 9.448 -10.983 7.895 1.00 0.00 C ATOM 1051 CD GLU A 644 9.557 -10.657 9.380 1.00 0.00 C ATOM 1052 OE1 GLU A 644 9.720 -11.648 10.132 1.00 0.00 O ATOM 1053 OE2 GLU A 644 9.513 -9.458 9.739 1.00 0.00 O ATOM 0 H GLU A 644 12.020 -9.928 5.478 1.00 0.00 H new ATOM 0 HA GLU A 644 11.160 -12.672 5.972 1.00 0.00 H new ATOM 0 HB2 GLU A 644 11.501 -11.581 7.929 1.00 0.00 H new ATOM 0 HB3 GLU A 644 11.226 -9.996 7.233 1.00 0.00 H new ATOM 0 HG2 GLU A 644 8.832 -10.237 7.393 1.00 0.00 H new ATOM 0 HG3 GLU A 644 8.957 -11.946 7.759 1.00 0.00 H new ATOM 1060 N LEU A 645 9.140 -10.592 4.466 1.00 0.00 N ATOM 1061 CA LEU A 645 8.002 -10.671 3.551 1.00 0.00 C ATOM 1062 C LEU A 645 8.293 -11.722 2.488 1.00 0.00 C ATOM 1063 O LEU A 645 7.462 -12.583 2.209 1.00 0.00 O ATOM 1064 CB LEU A 645 7.675 -9.311 2.913 1.00 0.00 C ATOM 1065 CG LEU A 645 7.598 -8.132 3.896 1.00 0.00 C ATOM 1066 CD1 LEU A 645 7.478 -6.826 3.118 1.00 0.00 C ATOM 1067 CD2 LEU A 645 6.477 -8.277 4.928 1.00 0.00 C ATOM 0 H LEU A 645 9.567 -9.669 4.540 1.00 0.00 H new ATOM 0 HA LEU A 645 7.119 -10.961 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 645 8.432 -9.088 2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 645 6.722 -9.392 2.391 1.00 0.00 H new ATOM 0 HG LEU A 645 8.522 -8.125 4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 645 7.423 -5.990 3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 645 8.349 -6.705 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 645 6.576 -6.848 2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 645 6.478 -7.412 5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 645 5.517 -8.340 4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 645 6.636 -9.182 5.514 1.00 0.00 H new ATOM 1079 N ILE A 646 9.516 -11.678 1.961 1.00 0.00 N ATOM 1080 CA ILE A 646 9.995 -12.596 0.952 1.00 0.00 C ATOM 1081 C ILE A 646 9.903 -14.025 1.484 1.00 0.00 C ATOM 1082 O ILE A 646 9.366 -14.886 0.791 1.00 0.00 O ATOM 1083 CB ILE A 646 11.405 -12.154 0.493 1.00 0.00 C ATOM 1084 CG1 ILE A 646 11.256 -10.788 -0.210 1.00 0.00 C ATOM 1085 CG2 ILE A 646 12.046 -13.203 -0.430 1.00 0.00 C ATOM 1086 CD1 ILE A 646 12.552 -10.068 -0.597 1.00 0.00 C ATOM 0 H ILE A 646 10.210 -10.983 2.236 1.00 0.00 H new ATOM 0 HA ILE A 646 9.374 -12.578 0.056 1.00 0.00 H new ATOM 0 HB ILE A 646 12.072 -12.060 1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 646 10.665 -10.933 -1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 646 10.683 -10.130 0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 646 13.036 -12.863 -0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 646 12.136 -14.150 0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 646 11.422 -13.341 -1.313 1.00 0.00 H new ATOM 0 HD11 ILE A 646 12.312 -9.122 -1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 646 13.143 -9.877 0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 646 13.124 -10.693 -1.283 1.00 0.00 H new ATOM 1098 N ARG A 647 10.364 -14.301 2.711 1.00 0.00 N ATOM 1099 CA ARG A 647 10.374 -15.685 3.196 1.00 0.00 C ATOM 1100 C ARG A 647 8.942 -16.159 3.433 1.00 0.00 C ATOM 1101 O ARG A 647 8.608 -17.262 3.018 1.00 0.00 O ATOM 1102 CB ARG A 647 11.304 -15.867 4.427 1.00 0.00 C ATOM 1103 CG ARG A 647 10.657 -15.511 5.779 1.00 0.00 C ATOM 1104 CD ARG A 647 11.603 -15.314 6.973 1.00 0.00 C ATOM 1105 NE ARG A 647 10.930 -14.600 8.088 1.00 0.00 N ATOM 1106 CZ ARG A 647 9.956 -15.060 8.891 1.00 0.00 C ATOM 1107 NH1 ARG A 647 9.530 -16.321 8.785 1.00 0.00 N ATOM 1108 NH2 ARG A 647 9.398 -14.267 9.806 1.00 0.00 N ATOM 0 H ARG A 647 10.724 -13.608 3.367 1.00 0.00 H new ATOM 0 HA ARG A 647 10.805 -16.327 2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 647 11.640 -16.903 4.462 1.00 0.00 H new ATOM 0 HB3 ARG A 647 12.191 -15.249 4.290 1.00 0.00 H new ATOM 0 HG2 ARG A 647 10.081 -14.595 5.648 1.00 0.00 H new ATOM 0 HG3 ARG A 647 9.949 -16.299 6.034 1.00 0.00 H new ATOM 0 HD2 ARG A 647 11.957 -16.284 7.322 1.00 0.00 H new ATOM 0 HD3 ARG A 647 12.480 -14.750 6.655 1.00 0.00 H new ATOM 0 HE ARG A 647 11.245 -13.646 8.265 1.00 0.00 H new ATOM 0 HH11 ARG A 647 9.944 -16.943 8.091 1.00 0.00 H new ATOM 0 HH12 ARG A 647 8.790 -16.663 9.398 1.00 0.00 H new ATOM 0 HH21 ARG A 647 9.710 -13.301 9.902 1.00 0.00 H new ATOM 0 HH22 ARG A 647 8.659 -14.627 10.410 1.00 0.00 H new ATOM 1122 N ILE A 648 8.086 -15.331 4.046 1.00 0.00 N ATOM 1123 CA ILE A 648 6.710 -15.698 4.375 1.00 0.00 C ATOM 1124 C ILE A 648 5.984 -16.073 3.090 1.00 0.00 C ATOM 1125 O ILE A 648 5.469 -17.187 2.974 1.00 0.00 O ATOM 1126 CB ILE A 648 6.026 -14.542 5.134 1.00 0.00 C ATOM 1127 CG1 ILE A 648 6.657 -14.426 6.545 1.00 0.00 C ATOM 1128 CG2 ILE A 648 4.506 -14.732 5.269 1.00 0.00 C ATOM 1129 CD1 ILE A 648 6.392 -13.084 7.230 1.00 0.00 C ATOM 0 H ILE A 648 8.334 -14.383 4.328 1.00 0.00 H new ATOM 0 HA ILE A 648 6.686 -16.563 5.037 1.00 0.00 H new ATOM 0 HB ILE A 648 6.184 -13.631 4.556 1.00 0.00 H new ATOM 0 HG12 ILE A 648 6.269 -15.227 7.174 1.00 0.00 H new ATOM 0 HG13 ILE A 648 7.734 -14.577 6.465 1.00 0.00 H new ATOM 0 HG21 ILE A 648 4.081 -13.888 5.812 1.00 0.00 H new ATOM 0 HG22 ILE A 648 4.057 -14.790 4.277 1.00 0.00 H new ATOM 0 HG23 ILE A 648 4.302 -15.654 5.814 1.00 0.00 H new ATOM 0 HD11 ILE A 648 6.864 -13.077 8.212 1.00 0.00 H new ATOM 0 HD12 ILE A 648 6.805 -12.278 6.623 1.00 0.00 H new ATOM 0 HD13 ILE A 648 5.318 -12.939 7.343 1.00 0.00 H new ATOM 1141 N LEU A 649 5.941 -15.165 2.109 1.00 0.00 N ATOM 1142 CA LEU A 649 5.191 -15.455 0.904 1.00 0.00 C ATOM 1143 C LEU A 649 5.805 -16.624 0.103 1.00 0.00 C ATOM 1144 O LEU A 649 5.086 -17.297 -0.638 1.00 0.00 O ATOM 1145 CB LEU A 649 4.990 -14.191 0.054 1.00 0.00 C ATOM 1146 CG LEU A 649 3.959 -13.210 0.633 1.00 0.00 C ATOM 1147 CD1 LEU A 649 4.534 -12.230 1.656 1.00 0.00 C ATOM 1148 CD2 LEU A 649 3.332 -12.400 -0.509 1.00 0.00 C ATOM 0 H LEU A 649 6.403 -14.256 2.130 1.00 0.00 H new ATOM 0 HA LEU A 649 4.200 -15.791 1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 649 5.946 -13.679 -0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 649 4.675 -14.485 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 649 3.223 -13.822 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 649 3.742 -11.573 2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 649 4.954 -12.785 2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 649 5.316 -11.633 1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 649 2.600 -11.703 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 649 4.111 -11.844 -1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 649 2.839 -13.077 -1.207 1.00 0.00 H new ATOM 1160 N LYS A 650 7.107 -16.894 0.268 1.00 0.00 N ATOM 1161 CA LYS A 650 7.794 -18.033 -0.367 1.00 0.00 C ATOM 1162 C LYS A 650 7.335 -19.338 0.263 1.00 0.00 C ATOM 1163 O LYS A 650 7.035 -20.306 -0.428 1.00 0.00 O ATOM 1164 CB LYS A 650 9.334 -17.921 -0.305 1.00 0.00 C ATOM 1165 CG LYS A 650 9.883 -17.028 -1.429 1.00 0.00 C ATOM 1166 CD LYS A 650 11.348 -16.611 -1.306 1.00 0.00 C ATOM 1167 CE LYS A 650 12.346 -17.766 -1.351 1.00 0.00 C ATOM 1168 NZ LYS A 650 13.740 -17.280 -1.230 1.00 0.00 N ATOM 0 H LYS A 650 7.721 -16.324 0.851 1.00 0.00 H new ATOM 0 HA LYS A 650 7.522 -18.017 -1.422 1.00 0.00 H new ATOM 0 HB2 LYS A 650 9.631 -17.514 0.662 1.00 0.00 H new ATOM 0 HB3 LYS A 650 9.775 -18.915 -0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 650 9.754 -17.552 -2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 650 9.273 -16.126 -1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 650 11.582 -15.915 -2.111 1.00 0.00 H new ATOM 0 HD3 LYS A 650 11.480 -16.071 -0.369 1.00 0.00 H new ATOM 0 HE2 LYS A 650 12.132 -18.466 -0.543 1.00 0.00 H new ATOM 0 HE3 LYS A 650 12.230 -18.313 -2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 650 14.366 -18.076 -0.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 650 14.041 -16.860 -2.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 650 13.793 -16.562 -0.479 1.00 0.00 H new ATOM 1182 N ASP A 651 7.247 -19.327 1.584 1.00 0.00 N ATOM 1183 CA ASP A 651 6.900 -20.456 2.444 1.00 0.00 C ATOM 1184 C ASP A 651 5.461 -20.886 2.194 1.00 0.00 C ATOM 1185 O ASP A 651 5.143 -22.070 2.123 1.00 0.00 O ATOM 1186 CB ASP A 651 7.072 -20.005 3.893 1.00 0.00 C ATOM 1187 CG ASP A 651 6.991 -21.169 4.876 1.00 0.00 C ATOM 1188 OD1 ASP A 651 7.920 -22.006 4.845 1.00 0.00 O ATOM 1189 OD2 ASP A 651 6.023 -21.176 5.668 1.00 0.00 O ATOM 0 H ASP A 651 7.426 -18.478 2.121 1.00 0.00 H new ATOM 0 HA ASP A 651 7.545 -21.308 2.231 1.00 0.00 H new ATOM 0 HB2 ASP A 651 8.034 -19.505 4.004 1.00 0.00 H new ATOM 0 HB3 ASP A 651 6.303 -19.272 4.137 1.00 0.00 H new ATOM 1194 N LYS A 652 4.603 -19.888 1.974 1.00 0.00 N ATOM 1195 CA LYS A 652 3.215 -20.064 1.571 1.00 0.00 C ATOM 1196 C LYS A 652 3.083 -20.624 0.155 1.00 0.00 C ATOM 1197 O LYS A 652 1.975 -21.006 -0.217 1.00 0.00 O ATOM 1198 CB LYS A 652 2.523 -18.698 1.664 1.00 0.00 C ATOM 1199 CG LYS A 652 2.205 -18.338 3.122 1.00 0.00 C ATOM 1200 CD LYS A 652 2.327 -16.831 3.382 1.00 0.00 C ATOM 1201 CE LYS A 652 1.150 -16.249 4.177 1.00 0.00 C ATOM 1202 NZ LYS A 652 -0.127 -16.318 3.430 1.00 0.00 N ATOM 0 H LYS A 652 4.867 -18.908 2.076 1.00 0.00 H new ATOM 0 HA LYS A 652 2.746 -20.791 2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 652 3.164 -17.932 1.228 1.00 0.00 H new ATOM 0 HB3 LYS A 652 1.602 -18.713 1.081 1.00 0.00 H new ATOM 0 HG2 LYS A 652 1.195 -18.667 3.364 1.00 0.00 H new ATOM 0 HG3 LYS A 652 2.883 -18.876 3.784 1.00 0.00 H new ATOM 0 HD2 LYS A 652 3.252 -16.638 3.925 1.00 0.00 H new ATOM 0 HD3 LYS A 652 2.403 -16.311 2.427 1.00 0.00 H new ATOM 0 HE2 LYS A 652 1.047 -16.791 5.117 1.00 0.00 H new ATOM 0 HE3 LYS A 652 1.364 -15.210 4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 652 -0.823 -15.686 3.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 652 0.031 -16.023 2.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 652 -0.486 -17.294 3.446 1.00 0.00 H new ATOM 1216 N GLY A 653 4.152 -20.618 -0.653 1.00 0.00 N ATOM 1217 CA GLY A 653 4.041 -20.873 -2.079 1.00 0.00 C ATOM 1218 C GLY A 653 3.161 -19.821 -2.755 1.00 0.00 C ATOM 1219 O GLY A 653 2.560 -20.113 -3.783 1.00 0.00 O ATOM 0 H GLY A 653 5.103 -20.438 -0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 653 5.033 -20.868 -2.531 1.00 0.00 H new ATOM 0 HA3 GLY A 653 3.620 -21.865 -2.243 1.00 0.00 H new ATOM 1223 N ALA A 654 3.053 -18.613 -2.179 1.00 0.00 N ATOM 1224 CA ALA A 654 2.457 -17.479 -2.867 1.00 0.00 C ATOM 1225 C ALA A 654 3.468 -16.902 -3.856 1.00 0.00 C ATOM 1226 O ALA A 654 3.081 -16.454 -4.935 1.00 0.00 O ATOM 1227 CB ALA A 654 2.028 -16.418 -1.851 1.00 0.00 C ATOM 0 H ALA A 654 3.375 -18.406 -1.234 1.00 0.00 H new ATOM 0 HA ALA A 654 1.572 -17.805 -3.414 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.583 -15.572 -2.374 1.00 0.00 H new ATOM 0 HB2 ALA A 654 1.297 -16.846 -1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 654 2.898 -16.079 -1.289 1.00 0.00 H new ATOM 1233 N ILE A 655 4.762 -16.924 -3.508 1.00 0.00 N ATOM 1234 CA ILE A 655 5.821 -16.518 -4.423 1.00 0.00 C ATOM 1235 C ILE A 655 6.879 -17.605 -4.444 1.00 0.00 C ATOM 1236 O ILE A 655 6.810 -18.588 -3.702 1.00 0.00 O ATOM 1237 CB ILE A 655 6.386 -15.128 -4.070 1.00 0.00 C ATOM 1238 CG1 ILE A 655 7.046 -15.138 -2.693 1.00 0.00 C ATOM 1239 CG2 ILE A 655 5.253 -14.105 -4.152 1.00 0.00 C ATOM 1240 CD1 ILE A 655 7.953 -13.948 -2.390 1.00 0.00 C ATOM 0 H ILE A 655 5.095 -17.222 -2.591 1.00 0.00 H new ATOM 0 HA ILE A 655 5.418 -16.407 -5.430 1.00 0.00 H new ATOM 0 HB ILE A 655 7.164 -14.853 -4.783 1.00 0.00 H new ATOM 0 HG12 ILE A 655 6.264 -15.179 -1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 655 7.631 -16.052 -2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 655 5.638 -13.116 -3.905 1.00 0.00 H new ATOM 0 HG22 ILE A 655 4.846 -14.094 -5.163 1.00 0.00 H new ATOM 0 HG23 ILE A 655 4.467 -14.375 -3.447 1.00 0.00 H new ATOM 0 HD11 ILE A 655 8.370 -14.054 -1.388 1.00 0.00 H new ATOM 0 HD12 ILE A 655 8.763 -13.913 -3.118 1.00 0.00 H new ATOM 0 HD13 ILE A 655 7.374 -13.026 -2.446 1.00 0.00 H new ATOM 1252 N PHE A 656 7.875 -17.396 -5.288 1.00 0.00 N ATOM 1253 CA PHE A 656 8.999 -18.278 -5.439 1.00 0.00 C ATOM 1254 C PHE A 656 10.192 -17.476 -5.933 1.00 0.00 C ATOM 1255 O PHE A 656 10.048 -16.304 -6.280 1.00 0.00 O ATOM 1256 CB PHE A 656 8.608 -19.384 -6.417 1.00 0.00 C ATOM 1257 CG PHE A 656 9.399 -20.636 -6.169 1.00 0.00 C ATOM 1258 CD1 PHE A 656 9.132 -21.400 -5.019 1.00 0.00 C ATOM 1259 CD2 PHE A 656 10.450 -20.981 -7.033 1.00 0.00 C ATOM 1260 CE1 PHE A 656 9.914 -22.533 -4.744 1.00 0.00 C ATOM 1261 CE2 PHE A 656 11.237 -22.109 -6.752 1.00 0.00 C ATOM 1262 CZ PHE A 656 10.965 -22.890 -5.612 1.00 0.00 C ATOM 0 H PHE A 656 7.917 -16.582 -5.901 1.00 0.00 H new ATOM 0 HA PHE A 656 9.278 -18.738 -4.491 1.00 0.00 H new ATOM 0 HB2 PHE A 656 7.544 -19.598 -6.320 1.00 0.00 H new ATOM 0 HB3 PHE A 656 8.773 -19.044 -7.439 1.00 0.00 H new ATOM 0 HD1 PHE A 656 8.331 -21.117 -4.352 1.00 0.00 H new ATOM 0 HD2 PHE A 656 10.652 -20.382 -7.909 1.00 0.00 H new ATOM 0 HE1 PHE A 656 9.710 -23.131 -3.868 1.00 0.00 H new ATOM 0 HE2 PHE A 656 12.051 -22.378 -7.410 1.00 0.00 H new ATOM 0 HZ PHE A 656 11.563 -23.764 -5.403 1.00 0.00 H new ATOM 1272 N GLU A 657 11.358 -18.120 -5.982 1.00 0.00 N ATOM 1273 CA GLU A 657 12.611 -17.532 -6.427 1.00 0.00 C ATOM 1274 C GLU A 657 13.195 -18.433 -7.527 1.00 0.00 C ATOM 1275 O GLU A 657 14.061 -19.260 -7.245 1.00 0.00 O ATOM 1276 CB GLU A 657 13.494 -17.301 -5.189 1.00 0.00 C ATOM 1277 CG GLU A 657 14.732 -16.424 -5.446 1.00 0.00 C ATOM 1278 CD GLU A 657 14.999 -15.428 -4.312 1.00 0.00 C ATOM 1279 OE1 GLU A 657 14.850 -15.836 -3.135 1.00 0.00 O ATOM 1280 OE2 GLU A 657 15.294 -14.250 -4.632 1.00 0.00 O ATOM 0 H GLU A 657 11.454 -19.096 -5.703 1.00 0.00 H new ATOM 0 HA GLU A 657 12.503 -16.551 -6.889 1.00 0.00 H new ATOM 0 HB2 GLU A 657 12.891 -16.837 -4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 657 13.822 -18.267 -4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 657 15.605 -17.064 -5.574 1.00 0.00 H new ATOM 0 HG3 GLU A 657 14.597 -15.878 -6.379 1.00 0.00 H new ATOM 1287 N PRO A 658 12.687 -18.345 -8.777 1.00 0.00 N ATOM 1288 CA PRO A 658 13.078 -19.229 -9.879 1.00 0.00 C ATOM 1289 C PRO A 658 14.537 -19.105 -10.310 1.00 0.00 C ATOM 1290 O PRO A 658 15.046 -19.995 -10.990 1.00 0.00 O ATOM 1291 CB PRO A 658 12.177 -18.859 -11.054 1.00 0.00 C ATOM 1292 CG PRO A 658 11.711 -17.447 -10.735 1.00 0.00 C ATOM 1293 CD PRO A 658 11.582 -17.503 -9.217 1.00 0.00 C ATOM 0 HA PRO A 658 12.968 -20.261 -9.545 1.00 0.00 H new ATOM 0 HB2 PRO A 658 12.719 -18.896 -11.999 1.00 0.00 H new ATOM 0 HB3 PRO A 658 11.335 -19.546 -11.143 1.00 0.00 H new ATOM 0 HG2 PRO A 658 12.431 -16.695 -11.058 1.00 0.00 H new ATOM 0 HG3 PRO A 658 10.763 -17.209 -11.218 1.00 0.00 H new ATOM 0 HD2 PRO A 658 11.645 -16.507 -8.778 1.00 0.00 H new ATOM 0 HD3 PRO A 658 10.622 -17.923 -8.917 1.00 0.00 H new ATOM 1301 N ALA A 659 15.199 -18.007 -9.947 1.00 0.00 N ATOM 1302 CA ALA A 659 16.629 -17.835 -10.116 1.00 0.00 C ATOM 1303 C ALA A 659 17.186 -17.147 -8.876 1.00 0.00 C ATOM 1304 O ALA A 659 16.442 -16.539 -8.111 1.00 0.00 O ATOM 1305 CB ALA A 659 16.915 -17.039 -11.389 1.00 0.00 C ATOM 0 H ALA A 659 14.742 -17.201 -9.520 1.00 0.00 H new ATOM 0 HA ALA A 659 17.120 -18.802 -10.226 1.00 0.00 H new ATOM 0 HB1 ALA A 659 17.992 -16.915 -11.507 1.00 0.00 H new ATOM 0 HB2 ALA A 659 16.515 -17.574 -12.250 1.00 0.00 H new ATOM 0 HB3 ALA A 659 16.443 -16.059 -11.319 1.00 0.00 H new ATOM 1311 N ARG A 660 18.510 -17.224 -8.710 1.00 0.00 N ATOM 1312 CA ARG A 660 19.243 -17.009 -7.475 1.00 0.00 C ATOM 1313 C ARG A 660 18.792 -15.789 -6.674 1.00 0.00 C ATOM 1314 O ARG A 660 18.667 -15.893 -5.458 1.00 0.00 O ATOM 1315 CB ARG A 660 20.722 -16.936 -7.871 1.00 0.00 C ATOM 1316 CG ARG A 660 21.662 -16.548 -6.736 1.00 0.00 C ATOM 1317 CD ARG A 660 21.696 -17.587 -5.609 1.00 0.00 C ATOM 1318 NE ARG A 660 22.621 -17.193 -4.535 1.00 0.00 N ATOM 1319 CZ ARG A 660 22.833 -17.870 -3.397 1.00 0.00 C ATOM 1320 NH1 ARG A 660 22.193 -19.017 -3.159 1.00 0.00 N ATOM 1321 NH2 ARG A 660 23.692 -17.397 -2.493 1.00 0.00 N ATOM 0 H ARG A 660 19.130 -17.453 -9.487 1.00 0.00 H new ATOM 0 HA ARG A 660 19.049 -17.831 -6.787 1.00 0.00 H new ATOM 0 HB2 ARG A 660 21.028 -17.906 -8.264 1.00 0.00 H new ATOM 0 HB3 ARG A 660 20.833 -16.215 -8.680 1.00 0.00 H new ATOM 0 HG2 ARG A 660 22.669 -16.417 -7.133 1.00 0.00 H new ATOM 0 HG3 ARG A 660 21.353 -15.586 -6.327 1.00 0.00 H new ATOM 0 HD2 ARG A 660 20.694 -17.712 -5.199 1.00 0.00 H new ATOM 0 HD3 ARG A 660 21.998 -18.553 -6.013 1.00 0.00 H new ATOM 0 HE ARG A 660 23.147 -16.329 -4.668 1.00 0.00 H new ATOM 0 HH11 ARG A 660 21.536 -19.386 -3.846 1.00 0.00 H new ATOM 0 HH12 ARG A 660 22.361 -19.524 -2.290 1.00 0.00 H new ATOM 0 HH21 ARG A 660 24.186 -16.522 -2.668 1.00 0.00 H new ATOM 0 HH22 ARG A 660 23.855 -17.910 -1.627 1.00 0.00 H new ATOM 1335 N GLY A 661 18.610 -14.655 -7.350 1.00 0.00 N ATOM 1336 CA GLY A 661 18.111 -13.420 -6.766 1.00 0.00 C ATOM 1337 C GLY A 661 16.994 -12.812 -7.601 1.00 0.00 C ATOM 1338 O GLY A 661 16.993 -11.598 -7.807 1.00 0.00 O ATOM 0 H GLY A 661 18.813 -14.573 -8.346 1.00 0.00 H new ATOM 0 HA2 GLY A 661 17.746 -13.616 -5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 661 18.928 -12.704 -6.676 1.00 0.00 H new ATOM 1342 N TYR A 662 16.070 -13.640 -8.103 1.00 0.00 N ATOM 1343 CA TYR A 662 14.896 -13.179 -8.834 1.00 0.00 C ATOM 1344 C TYR A 662 13.649 -13.935 -8.385 1.00 0.00 C ATOM 1345 O TYR A 662 13.573 -15.151 -8.565 1.00 0.00 O ATOM 1346 CB TYR A 662 15.072 -13.381 -10.338 1.00 0.00 C ATOM 1347 CG TYR A 662 16.009 -12.435 -11.059 1.00 0.00 C ATOM 1348 CD1 TYR A 662 17.385 -12.712 -11.170 1.00 0.00 C ATOM 1349 CD2 TYR A 662 15.475 -11.292 -11.678 1.00 0.00 C ATOM 1350 CE1 TYR A 662 18.228 -11.843 -11.892 1.00 0.00 C ATOM 1351 CE2 TYR A 662 16.308 -10.422 -12.392 1.00 0.00 C ATOM 1352 CZ TYR A 662 17.689 -10.687 -12.510 1.00 0.00 C ATOM 1353 OH TYR A 662 18.476 -9.823 -13.218 1.00 0.00 O ATOM 0 H TYR A 662 16.121 -14.654 -8.010 1.00 0.00 H new ATOM 0 HA TYR A 662 14.780 -12.116 -8.621 1.00 0.00 H new ATOM 0 HB2 TYR A 662 15.427 -14.398 -10.503 1.00 0.00 H new ATOM 0 HB3 TYR A 662 14.090 -13.306 -10.806 1.00 0.00 H new ATOM 0 HD1 TYR A 662 17.796 -13.593 -10.700 1.00 0.00 H new ATOM 0 HD2 TYR A 662 14.418 -11.084 -11.603 1.00 0.00 H new ATOM 0 HE1 TYR A 662 19.283 -12.058 -11.974 1.00 0.00 H new ATOM 0 HE2 TYR A 662 15.890 -9.541 -12.856 1.00 0.00 H new ATOM 0 HH TYR A 662 19.225 -10.314 -13.616 1.00 0.00 H new ATOM 1363 N LEU A 663 12.664 -13.203 -7.859 1.00 0.00 N ATOM 1364 CA LEU A 663 11.343 -13.694 -7.499 1.00 0.00 C ATOM 1365 C LEU A 663 10.426 -13.878 -8.714 1.00 0.00 C ATOM 1366 O LEU A 663 10.708 -13.406 -9.821 1.00 0.00 O ATOM 1367 CB LEU A 663 10.666 -12.749 -6.482 1.00 0.00 C ATOM 1368 CG LEU A 663 11.381 -12.609 -5.127 1.00 0.00 C ATOM 1369 CD1 LEU A 663 10.506 -11.790 -4.173 1.00 0.00 C ATOM 1370 CD2 LEU A 663 11.696 -13.960 -4.471 1.00 0.00 C ATOM 0 H LEU A 663 12.776 -12.208 -7.666 1.00 0.00 H new ATOM 0 HA LEU A 663 11.495 -14.675 -7.048 1.00 0.00 H new ATOM 0 HB2 LEU A 663 10.582 -11.760 -6.932 1.00 0.00 H new ATOM 0 HB3 LEU A 663 9.651 -13.105 -6.302 1.00 0.00 H new ATOM 0 HG LEU A 663 12.330 -12.110 -5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 663 11.011 -11.690 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 663 10.333 -10.801 -4.597 1.00 0.00 H new ATOM 0 HD13 LEU A 663 9.551 -12.296 -4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 663 12.200 -13.793 -3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 663 10.769 -14.506 -4.300 1.00 0.00 H new ATOM 0 HD23 LEU A 663 12.344 -14.541 -5.128 1.00 0.00 H new ATOM 1382 N LYS A 664 9.300 -14.551 -8.454 1.00 0.00 N ATOM 1383 CA LYS A 664 8.132 -14.764 -9.303 1.00 0.00 C ATOM 1384 C LYS A 664 6.934 -15.008 -8.387 1.00 0.00 C ATOM 1385 O LYS A 664 7.116 -15.475 -7.260 1.00 0.00 O ATOM 1386 CB LYS A 664 8.434 -15.982 -10.194 1.00 0.00 C ATOM 1387 CG LYS A 664 7.257 -16.514 -11.014 1.00 0.00 C ATOM 1388 CD LYS A 664 7.570 -17.878 -11.644 1.00 0.00 C ATOM 1389 CE LYS A 664 6.355 -18.413 -12.417 1.00 0.00 C ATOM 1390 NZ LYS A 664 5.183 -18.656 -11.545 1.00 0.00 N ATOM 0 H LYS A 664 9.176 -15.005 -7.549 1.00 0.00 H new ATOM 0 HA LYS A 664 7.907 -13.910 -9.942 1.00 0.00 H new ATOM 0 HB2 LYS A 664 9.239 -15.717 -10.879 1.00 0.00 H new ATOM 0 HB3 LYS A 664 8.806 -16.788 -9.562 1.00 0.00 H new ATOM 0 HG2 LYS A 664 6.379 -16.602 -10.374 1.00 0.00 H new ATOM 0 HG3 LYS A 664 7.009 -15.800 -11.799 1.00 0.00 H new ATOM 0 HD2 LYS A 664 8.423 -17.786 -12.316 1.00 0.00 H new ATOM 0 HD3 LYS A 664 7.853 -18.587 -10.866 1.00 0.00 H new ATOM 0 HE2 LYS A 664 6.082 -17.700 -13.195 1.00 0.00 H new ATOM 0 HE3 LYS A 664 6.629 -19.342 -12.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 664 4.326 -18.734 -12.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 664 5.322 -19.540 -11.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 664 5.077 -17.865 -10.878 1.00 0.00 H new ATOM 1404 N ILE A 665 5.723 -14.702 -8.863 1.00 0.00 N ATOM 1405 CA ILE A 665 4.493 -15.122 -8.208 1.00 0.00 C ATOM 1406 C ILE A 665 4.266 -16.602 -8.527 1.00 0.00 C ATOM 1407 O ILE A 665 4.093 -16.979 -9.690 1.00 0.00 O ATOM 1408 CB ILE A 665 3.285 -14.233 -8.566 1.00 0.00 C ATOM 1409 CG1 ILE A 665 3.604 -12.768 -8.196 1.00 0.00 C ATOM 1410 CG2 ILE A 665 2.065 -14.751 -7.780 1.00 0.00 C ATOM 1411 CD1 ILE A 665 2.501 -11.751 -8.506 1.00 0.00 C ATOM 0 H ILE A 665 5.574 -14.157 -9.712 1.00 0.00 H new ATOM 0 HA ILE A 665 4.598 -14.999 -7.130 1.00 0.00 H new ATOM 0 HB ILE A 665 3.069 -14.272 -9.634 1.00 0.00 H new ATOM 0 HG12 ILE A 665 3.827 -12.722 -7.130 1.00 0.00 H new ATOM 0 HG13 ILE A 665 4.509 -12.468 -8.724 1.00 0.00 H new ATOM 0 HG21 ILE A 665 1.194 -14.139 -8.015 1.00 0.00 H new ATOM 0 HG22 ILE A 665 1.866 -15.786 -8.057 1.00 0.00 H new ATOM 0 HG23 ILE A 665 2.270 -14.695 -6.711 1.00 0.00 H new ATOM 0 HD11 ILE A 665 2.829 -10.756 -8.207 1.00 0.00 H new ATOM 0 HD12 ILE A 665 2.290 -11.757 -9.575 1.00 0.00 H new ATOM 0 HD13 ILE A 665 1.597 -12.015 -7.957 1.00 0.00 H new ATOM 1423 N VAL A 666 4.280 -17.403 -7.460 1.00 0.00 N ATOM 1424 CA VAL A 666 4.508 -18.843 -7.386 1.00 0.00 C ATOM 1425 C VAL A 666 5.335 -19.349 -8.577 1.00 0.00 C ATOM 1426 O VAL A 666 6.455 -18.829 -8.746 1.00 0.00 O ATOM 1427 CB VAL A 666 3.209 -19.590 -7.009 1.00 0.00 C ATOM 1428 CG1 VAL A 666 2.084 -19.506 -8.048 1.00 0.00 C ATOM 1429 CG2 VAL A 666 3.496 -21.048 -6.616 1.00 0.00 C ATOM 1430 OXT VAL A 666 4.858 -20.163 -9.399 1.00 0.00 O ATOM 0 H VAL A 666 4.114 -17.016 -6.531 1.00 0.00 H new ATOM 0 HA VAL A 666 5.164 -19.091 -6.552 1.00 0.00 H new ATOM 0 HB VAL A 666 2.826 -19.055 -6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 666 1.217 -20.061 -7.691 1.00 0.00 H new ATOM 0 HG12 VAL A 666 1.809 -18.463 -8.203 1.00 0.00 H new ATOM 0 HG13 VAL A 666 2.426 -19.934 -8.990 1.00 0.00 H new ATOM 0 HG21 VAL A 666 2.562 -21.546 -6.356 1.00 0.00 H new ATOM 0 HG22 VAL A 666 3.962 -21.566 -7.454 1.00 0.00 H new ATOM 0 HG23 VAL A 666 4.168 -21.068 -5.758 1.00 0.00 H new