USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 887 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: B 814 ASN : amide:sc= -1.63 K(o=-3.7,f=-9.6!) USER MOD Set 1.2: B 818 LYS NZ :NH3+ 173:sc= -2.09 (180deg=-0.551) USER MOD Set 2.1: B 734 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 823 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 727 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 729 TYR OH : rot 180:sc= 0 USER MOD Single : B 730 SER OG : rot 180:sc= 0 USER MOD Single : B 731 THR OG1 : rot 66:sc= 0.627 USER MOD Single : B 733 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 737 GLN : amide:sc= -0.595 K(o=-0.6,f=-7!) USER MOD Single : B 738 GLN : amide:sc= -4.83! C(o=-4.8!,f=-4.7!) USER MOD Single : B 740 LYS NZ :NH3+ -177:sc= -2.4 (180deg=-2.49) USER MOD Single : B 741 SER OG : rot 180:sc= 0 USER MOD Single : B 742 HIS : no HE2:sc= -2.94 X(o=-2.9,f=-3) USER MOD Single : B 743 GLN : amide:sc= -0.272 K(o=-0.27,f=-1.1) USER MOD Single : B 744 SER OG : rot -50:sc= -1.85 USER MOD Single : B 749 MET CE :methyl -173:sc= -1.82 (180deg=-1.87) USER MOD Single : B 760 TYR OH : rot 180:sc= 0 USER MOD Single : B 761 TYR OH : rot 180:sc= 0 USER MOD Single : B 768 MET CE :methyl -171:sc= 0 (180deg=-0.102) USER MOD Single : B 771 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 772 THR OG1 : rot 180:sc= 0 USER MOD Single : B 773 MET CE :methyl -117:sc= -2.44 (180deg=-4.91!) USER MOD Single : B 774 SER OG : rot 180:sc= -0.0603 USER MOD Single : B 778 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 779 ASN : amide:sc= 0.115 X(o=0.11,f=-0.097) USER MOD Single : B 781 TYR OH : rot 180:sc= 0 USER MOD Single : B 782 TYR OH : rot 180:sc= 0 USER MOD Single : B 784 SER OG : rot 155:sc= -4.81! USER MOD Single : B 785 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 786 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 789 MET CE :methyl 180:sc= -5.29! (180deg=-5.29!) USER MOD Single : B 793 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : B 797 THR OG1 : rot 79:sc= -1.3! USER MOD Single : B 798 ASN : amide:sc= -3.08 K(o=-3.1,f=-8.3!) USER MOD Single : B 799 CYS SG : rot 94:sc= -0.737 USER MOD Single : B 800 LYS NZ :NH3+ 163:sc= -0.0954 (180deg=-0.598) USER MOD Single : B 802 TYR OH : rot 180:sc= 0 USER MOD Single : B 803 ASN : amide:sc= -2.25 K(o=-2.3,f=-7.4!) USER MOD Single : B 807 SER OG : rot -150:sc= -1.95! USER MOD Single : B 809 TYR OH : rot 180:sc= 0 USER MOD Single : B 810 TYR OH : rot 180:sc= 0 USER MOD Single : B 811 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 812 CYS SG : rot -150:sc= -0.989 USER MOD Single : B 822 SER OG : rot 180:sc= 0 USER MOD Single : B 825 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.536) USER MOD ----------------------------------------------------------------- ATOM 303 N GLU B 721 16.593 -0.875 6.925 1.00 0.00 N ATOM 304 CA GLU B 721 17.626 0.119 6.498 1.00 0.00 C ATOM 305 C GLU B 721 17.663 0.257 4.965 1.00 0.00 C ATOM 306 O GLU B 721 18.128 -0.630 4.279 1.00 0.00 O ATOM 307 CB GLU B 721 18.955 -0.444 7.012 1.00 0.00 C ATOM 308 CG GLU B 721 19.151 -0.036 8.473 1.00 0.00 C ATOM 309 CD GLU B 721 19.522 1.447 8.544 1.00 0.00 C ATOM 310 OE1 GLU B 721 20.614 1.785 8.118 1.00 0.00 O ATOM 311 OE2 GLU B 721 18.709 2.219 9.024 1.00 0.00 O ATOM 0 HA GLU B 721 17.414 1.113 6.893 1.00 0.00 H new ATOM 0 HB2 GLU B 721 18.961 -1.530 6.923 1.00 0.00 H new ATOM 0 HB3 GLU B 721 19.780 -0.070 6.405 1.00 0.00 H new ATOM 0 HG2 GLU B 721 18.238 -0.221 9.039 1.00 0.00 H new ATOM 0 HG3 GLU B 721 19.936 -0.640 8.928 1.00 0.00 H new ATOM 318 N PRO B 722 17.230 1.398 4.475 1.00 0.00 N ATOM 319 CA PRO B 722 17.223 1.642 3.017 1.00 0.00 C ATOM 320 C PRO B 722 18.556 2.240 2.551 1.00 0.00 C ATOM 321 O PRO B 722 18.626 2.892 1.529 1.00 0.00 O ATOM 322 CB PRO B 722 16.096 2.655 2.841 1.00 0.00 C ATOM 323 CG PRO B 722 15.967 3.364 4.154 1.00 0.00 C ATOM 324 CD PRO B 722 16.655 2.530 5.212 1.00 0.00 C ATOM 0 HA PRO B 722 17.084 0.731 2.436 1.00 0.00 H new ATOM 0 HB2 PRO B 722 16.325 3.357 2.040 1.00 0.00 H new ATOM 0 HB3 PRO B 722 15.164 2.158 2.573 1.00 0.00 H new ATOM 0 HG2 PRO B 722 16.419 4.354 4.097 1.00 0.00 H new ATOM 0 HG3 PRO B 722 14.916 3.507 4.407 1.00 0.00 H new ATOM 0 HD2 PRO B 722 17.427 3.101 5.727 1.00 0.00 H new ATOM 0 HD3 PRO B 722 15.950 2.192 5.971 1.00 0.00 H new ATOM 332 N ARG B 723 19.619 2.007 3.279 1.00 0.00 N ATOM 333 CA ARG B 723 20.950 2.553 2.875 1.00 0.00 C ATOM 334 C ARG B 723 20.893 4.079 2.740 1.00 0.00 C ATOM 335 O ARG B 723 21.224 4.801 3.660 1.00 0.00 O ATOM 336 CB ARG B 723 21.261 1.900 1.524 1.00 0.00 C ATOM 337 CG ARG B 723 22.281 0.778 1.725 1.00 0.00 C ATOM 338 CD ARG B 723 21.692 -0.287 2.653 1.00 0.00 C ATOM 339 NE ARG B 723 22.235 0.041 4.005 1.00 0.00 N ATOM 340 CZ ARG B 723 23.509 -0.124 4.278 1.00 0.00 C ATOM 341 NH1 ARG B 723 24.340 -0.581 3.374 1.00 0.00 N ATOM 342 NH2 ARG B 723 23.954 0.171 5.469 1.00 0.00 N ATOM 0 H ARG B 723 19.622 1.460 4.140 1.00 0.00 H new ATOM 0 HA ARG B 723 21.719 2.337 3.617 1.00 0.00 H new ATOM 0 HB2 ARG B 723 20.348 1.502 1.081 1.00 0.00 H new ATOM 0 HB3 ARG B 723 21.654 2.643 0.830 1.00 0.00 H new ATOM 0 HG2 ARG B 723 22.543 0.334 0.765 1.00 0.00 H new ATOM 0 HG3 ARG B 723 23.200 1.180 2.152 1.00 0.00 H new ATOM 0 HD2 ARG B 723 20.602 -0.258 2.647 1.00 0.00 H new ATOM 0 HD3 ARG B 723 21.986 -1.289 2.341 1.00 0.00 H new ATOM 0 HE ARG B 723 21.608 0.398 4.726 1.00 0.00 H new ATOM 0 HH11 ARG B 723 24.001 -0.815 2.441 1.00 0.00 H new ATOM 0 HH12 ARG B 723 25.326 -0.703 3.603 1.00 0.00 H new ATOM 0 HH21 ARG B 723 23.314 0.527 6.179 1.00 0.00 H new ATOM 0 HH22 ARG B 723 24.942 0.046 5.690 1.00 0.00 H new ATOM 356 N ASP B 724 20.496 4.580 1.601 1.00 0.00 N ATOM 357 CA ASP B 724 20.432 6.059 1.421 1.00 0.00 C ATOM 358 C ASP B 724 19.068 6.470 0.855 1.00 0.00 C ATOM 359 O ASP B 724 18.393 5.672 0.235 1.00 0.00 O ATOM 360 CB ASP B 724 21.543 6.379 0.420 1.00 0.00 C ATOM 361 CG ASP B 724 22.163 7.736 0.761 1.00 0.00 C ATOM 362 OD1 ASP B 724 22.235 8.054 1.937 1.00 0.00 O ATOM 363 OD2 ASP B 724 22.557 8.433 -0.159 1.00 0.00 O ATOM 0 H ASP B 724 20.214 4.030 0.789 1.00 0.00 H new ATOM 0 HA ASP B 724 20.557 6.595 2.362 1.00 0.00 H new ATOM 0 HB2 ASP B 724 22.306 5.601 0.447 1.00 0.00 H new ATOM 0 HB3 ASP B 724 21.141 6.395 -0.593 1.00 0.00 H new ATOM 368 N PRO B 725 18.701 7.709 1.084 1.00 0.00 N ATOM 369 CA PRO B 725 17.398 8.211 0.585 1.00 0.00 C ATOM 370 C PRO B 725 17.353 8.150 -0.943 1.00 0.00 C ATOM 371 O PRO B 725 16.395 7.684 -1.527 1.00 0.00 O ATOM 372 CB PRO B 725 17.344 9.663 1.069 1.00 0.00 C ATOM 373 CG PRO B 725 18.402 9.779 2.123 1.00 0.00 C ATOM 374 CD PRO B 725 19.444 8.738 1.821 1.00 0.00 C ATOM 0 HA PRO B 725 16.555 7.621 0.944 1.00 0.00 H new ATOM 0 HB2 PRO B 725 17.531 10.356 0.249 1.00 0.00 H new ATOM 0 HB3 PRO B 725 16.361 9.905 1.473 1.00 0.00 H new ATOM 0 HG2 PRO B 725 18.842 10.776 2.119 1.00 0.00 H new ATOM 0 HG3 PRO B 725 17.977 9.622 3.114 1.00 0.00 H new ATOM 0 HD2 PRO B 725 20.259 9.148 1.225 1.00 0.00 H new ATOM 0 HD3 PRO B 725 19.886 8.337 2.733 1.00 0.00 H new ATOM 382 N ASP B 726 18.384 8.615 -1.597 1.00 0.00 N ATOM 383 CA ASP B 726 18.404 8.561 -3.086 1.00 0.00 C ATOM 384 C ASP B 726 18.286 7.110 -3.550 1.00 0.00 C ATOM 385 O ASP B 726 17.457 6.776 -4.374 1.00 0.00 O ATOM 386 CB ASP B 726 19.761 9.144 -3.484 1.00 0.00 C ATOM 387 CG ASP B 726 19.610 9.959 -4.770 1.00 0.00 C ATOM 388 OD1 ASP B 726 19.598 9.357 -5.831 1.00 0.00 O ATOM 389 OD2 ASP B 726 19.510 11.171 -4.672 1.00 0.00 O ATOM 0 H ASP B 726 19.210 9.029 -1.165 1.00 0.00 H new ATOM 0 HA ASP B 726 17.579 9.112 -3.537 1.00 0.00 H new ATOM 0 HB2 ASP B 726 20.146 9.776 -2.684 1.00 0.00 H new ATOM 0 HB3 ASP B 726 20.484 8.342 -3.632 1.00 0.00 H new ATOM 394 N GLN B 727 19.094 6.239 -3.009 1.00 0.00 N ATOM 395 CA GLN B 727 19.004 4.803 -3.392 1.00 0.00 C ATOM 396 C GLN B 727 17.574 4.305 -3.190 1.00 0.00 C ATOM 397 O GLN B 727 17.043 3.555 -3.984 1.00 0.00 O ATOM 398 CB GLN B 727 19.955 4.082 -2.431 1.00 0.00 C ATOM 399 CG GLN B 727 20.873 3.150 -3.224 1.00 0.00 C ATOM 400 CD GLN B 727 22.044 3.953 -3.793 1.00 0.00 C ATOM 401 OE1 GLN B 727 22.022 4.350 -4.941 1.00 0.00 O ATOM 402 NE2 GLN B 727 23.072 4.212 -3.033 1.00 0.00 N ATOM 0 H GLN B 727 19.812 6.461 -2.319 1.00 0.00 H new ATOM 0 HA GLN B 727 19.266 4.631 -4.436 1.00 0.00 H new ATOM 0 HB2 GLN B 727 20.549 4.809 -1.877 1.00 0.00 H new ATOM 0 HB3 GLN B 727 19.385 3.511 -1.698 1.00 0.00 H new ATOM 0 HG2 GLN B 727 21.244 2.352 -2.580 1.00 0.00 H new ATOM 0 HG3 GLN B 727 20.317 2.675 -4.032 1.00 0.00 H new ATOM 0 HE21 GLN B 727 23.091 3.879 -2.069 1.00 0.00 H new ATOM 0 HE22 GLN B 727 23.857 4.748 -3.403 1.00 0.00 H new ATOM 411 N LEU B 728 16.950 4.726 -2.126 1.00 0.00 N ATOM 412 CA LEU B 728 15.556 4.289 -1.847 1.00 0.00 C ATOM 413 C LEU B 728 14.554 5.105 -2.663 1.00 0.00 C ATOM 414 O LEU B 728 13.431 4.703 -2.854 1.00 0.00 O ATOM 415 CB LEU B 728 15.364 4.568 -0.354 1.00 0.00 C ATOM 416 CG LEU B 728 14.585 3.428 0.295 1.00 0.00 C ATOM 417 CD1 LEU B 728 13.199 3.355 -0.327 1.00 0.00 C ATOM 418 CD2 LEU B 728 15.323 2.104 0.075 1.00 0.00 C ATOM 0 H LEU B 728 17.350 5.359 -1.433 1.00 0.00 H new ATOM 0 HA LEU B 728 15.394 3.244 -2.110 1.00 0.00 H new ATOM 0 HB2 LEU B 728 16.334 4.679 0.131 1.00 0.00 H new ATOM 0 HB3 LEU B 728 14.830 5.508 -0.217 1.00 0.00 H new ATOM 0 HG LEU B 728 14.496 3.609 1.366 1.00 0.00 H new ATOM 0 HD11 LEU B 728 12.636 2.542 0.132 1.00 0.00 H new ATOM 0 HD12 LEU B 728 12.676 4.297 -0.162 1.00 0.00 H new ATOM 0 HD13 LEU B 728 13.290 3.174 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU B 728 14.762 1.293 0.540 1.00 0.00 H new ATOM 0 HD22 LEU B 728 15.417 1.913 -0.994 1.00 0.00 H new ATOM 0 HD23 LEU B 728 16.316 2.162 0.522 1.00 0.00 H new ATOM 430 N TYR B 729 14.931 6.264 -3.118 1.00 0.00 N ATOM 431 CA TYR B 729 13.972 7.100 -3.893 1.00 0.00 C ATOM 432 C TYR B 729 13.430 6.305 -5.072 1.00 0.00 C ATOM 433 O TYR B 729 12.243 6.060 -5.176 1.00 0.00 O ATOM 434 CB TYR B 729 14.793 8.299 -4.378 1.00 0.00 C ATOM 435 CG TYR B 729 13.946 9.163 -5.283 1.00 0.00 C ATOM 436 CD1 TYR B 729 13.079 10.114 -4.733 1.00 0.00 C ATOM 437 CD2 TYR B 729 14.028 9.010 -6.673 1.00 0.00 C ATOM 438 CE1 TYR B 729 12.293 10.913 -5.573 1.00 0.00 C ATOM 439 CE2 TYR B 729 13.242 9.810 -7.512 1.00 0.00 C ATOM 440 CZ TYR B 729 12.375 10.761 -6.962 1.00 0.00 C ATOM 441 OH TYR B 729 11.601 11.549 -7.789 1.00 0.00 O ATOM 0 H TYR B 729 15.858 6.669 -2.989 1.00 0.00 H new ATOM 0 HA TYR B 729 13.114 7.413 -3.298 1.00 0.00 H new ATOM 0 HB2 TYR B 729 15.142 8.882 -3.526 1.00 0.00 H new ATOM 0 HB3 TYR B 729 15.678 7.954 -4.912 1.00 0.00 H new ATOM 0 HD1 TYR B 729 13.016 10.232 -3.661 1.00 0.00 H new ATOM 0 HD2 TYR B 729 14.697 8.276 -7.097 1.00 0.00 H new ATOM 0 HE1 TYR B 729 11.623 11.647 -5.149 1.00 0.00 H new ATOM 0 HE2 TYR B 729 13.305 9.693 -8.584 1.00 0.00 H new ATOM 0 HH TYR B 729 11.780 11.316 -8.724 1.00 0.00 H new ATOM 451 N SER B 730 14.289 5.882 -5.951 1.00 0.00 N ATOM 452 CA SER B 730 13.809 5.085 -7.103 1.00 0.00 C ATOM 453 C SER B 730 13.404 3.689 -6.631 1.00 0.00 C ATOM 454 O SER B 730 12.652 3.002 -7.290 1.00 0.00 O ATOM 455 CB SER B 730 14.977 5.022 -8.080 1.00 0.00 C ATOM 456 OG SER B 730 15.786 3.890 -7.796 1.00 0.00 O ATOM 0 H SER B 730 15.294 6.053 -5.921 1.00 0.00 H new ATOM 0 HA SER B 730 12.932 5.527 -7.576 1.00 0.00 H new ATOM 0 HB2 SER B 730 14.604 4.966 -9.103 1.00 0.00 H new ATOM 0 HB3 SER B 730 15.572 5.932 -8.008 1.00 0.00 H new ATOM 0 HG SER B 730 16.533 3.855 -8.429 1.00 0.00 H new ATOM 462 N THR B 731 13.872 3.266 -5.482 1.00 0.00 N ATOM 463 CA THR B 731 13.433 1.939 -4.969 1.00 0.00 C ATOM 464 C THR B 731 11.917 1.968 -4.813 1.00 0.00 C ATOM 465 O THR B 731 11.207 1.133 -5.338 1.00 0.00 O ATOM 466 CB THR B 731 14.110 1.759 -3.611 1.00 0.00 C ATOM 467 OG1 THR B 731 15.516 1.680 -3.787 1.00 0.00 O ATOM 468 CG2 THR B 731 13.602 0.467 -2.965 1.00 0.00 C ATOM 0 H THR B 731 14.528 3.775 -4.889 1.00 0.00 H new ATOM 0 HA THR B 731 13.698 1.120 -5.637 1.00 0.00 H new ATOM 0 HB THR B 731 13.875 2.608 -2.969 1.00 0.00 H new ATOM 0 HG1 THR B 731 15.853 2.538 -4.121 1.00 0.00 H new ATOM 0 HG21 THR B 731 14.081 0.332 -1.995 1.00 0.00 H new ATOM 0 HG22 THR B 731 12.522 0.528 -2.831 1.00 0.00 H new ATOM 0 HG23 THR B 731 13.841 -0.380 -3.608 1.00 0.00 H new ATOM 476 N LEU B 732 11.413 2.970 -4.143 1.00 0.00 N ATOM 477 CA LEU B 732 9.941 3.124 -4.037 1.00 0.00 C ATOM 478 C LEU B 732 9.374 3.256 -5.442 1.00 0.00 C ATOM 479 O LEU B 732 8.407 2.620 -5.803 1.00 0.00 O ATOM 480 CB LEU B 732 9.733 4.428 -3.254 1.00 0.00 C ATOM 481 CG LEU B 732 10.465 4.389 -1.900 1.00 0.00 C ATOM 482 CD1 LEU B 732 9.875 5.462 -0.992 1.00 0.00 C ATOM 483 CD2 LEU B 732 10.320 3.020 -1.223 1.00 0.00 C ATOM 0 H LEU B 732 11.961 3.686 -3.666 1.00 0.00 H new ATOM 0 HA LEU B 732 9.452 2.282 -3.546 1.00 0.00 H new ATOM 0 HB2 LEU B 732 10.097 5.270 -3.843 1.00 0.00 H new ATOM 0 HB3 LEU B 732 8.668 4.590 -3.090 1.00 0.00 H new ATOM 0 HG LEU B 732 11.526 4.570 -2.075 1.00 0.00 H new ATOM 0 HD11 LEU B 732 10.385 5.445 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU B 732 10.004 6.441 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU B 732 8.813 5.269 -0.843 1.00 0.00 H new ATOM 0 HD21 LEU B 732 10.849 3.028 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU B 732 9.265 2.809 -1.051 1.00 0.00 H new ATOM 0 HD23 LEU B 732 10.744 2.249 -1.867 1.00 0.00 H new ATOM 495 N LYS B 733 10.014 4.053 -6.250 1.00 0.00 N ATOM 496 CA LYS B 733 9.573 4.208 -7.659 1.00 0.00 C ATOM 497 C LYS B 733 9.546 2.842 -8.341 1.00 0.00 C ATOM 498 O LYS B 733 8.697 2.564 -9.156 1.00 0.00 O ATOM 499 CB LYS B 733 10.642 5.101 -8.287 1.00 0.00 C ATOM 500 CG LYS B 733 10.203 5.550 -9.676 1.00 0.00 C ATOM 501 CD LYS B 733 9.491 6.900 -9.580 1.00 0.00 C ATOM 502 CE LYS B 733 8.107 6.790 -10.223 1.00 0.00 C ATOM 503 NZ LYS B 733 8.281 7.332 -11.600 1.00 0.00 N ATOM 0 H LYS B 733 10.830 4.607 -5.990 1.00 0.00 H new ATOM 0 HA LYS B 733 8.573 4.631 -7.752 1.00 0.00 H new ATOM 0 HB2 LYS B 733 10.817 5.971 -7.654 1.00 0.00 H new ATOM 0 HB3 LYS B 733 11.586 4.560 -8.353 1.00 0.00 H new ATOM 0 HG2 LYS B 733 11.069 5.631 -10.333 1.00 0.00 H new ATOM 0 HG3 LYS B 733 9.537 4.807 -10.115 1.00 0.00 H new ATOM 0 HD2 LYS B 733 9.397 7.201 -8.537 1.00 0.00 H new ATOM 0 HD3 LYS B 733 10.077 7.670 -10.082 1.00 0.00 H new ATOM 0 HE2 LYS B 733 7.763 5.756 -10.246 1.00 0.00 H new ATOM 0 HE3 LYS B 733 7.365 7.361 -9.664 1.00 0.00 H new ATOM 0 HZ1 LYS B 733 7.374 7.291 -12.107 1.00 0.00 H new ATOM 0 HZ2 LYS B 733 8.603 8.319 -11.546 1.00 0.00 H new ATOM 0 HZ3 LYS B 733 8.988 6.765 -12.110 1.00 0.00 H new ATOM 517 N SER B 734 10.465 1.981 -7.997 1.00 0.00 N ATOM 518 CA SER B 734 10.482 0.624 -8.609 1.00 0.00 C ATOM 519 C SER B 734 9.303 -0.195 -8.086 1.00 0.00 C ATOM 520 O SER B 734 8.509 -0.713 -8.846 1.00 0.00 O ATOM 521 CB SER B 734 11.805 0.004 -8.158 1.00 0.00 C ATOM 522 OG SER B 734 12.698 -0.060 -9.260 1.00 0.00 O ATOM 0 H SER B 734 11.205 2.160 -7.318 1.00 0.00 H new ATOM 0 HA SER B 734 10.397 0.655 -9.695 1.00 0.00 H new ATOM 0 HB2 SER B 734 12.243 0.598 -7.356 1.00 0.00 H new ATOM 0 HB3 SER B 734 11.633 -0.995 -7.757 1.00 0.00 H new ATOM 0 HG SER B 734 13.547 -0.456 -8.971 1.00 0.00 H new ATOM 528 N ILE B 735 9.171 -0.302 -6.792 1.00 0.00 N ATOM 529 CA ILE B 735 8.029 -1.071 -6.226 1.00 0.00 C ATOM 530 C ILE B 735 6.706 -0.489 -6.734 1.00 0.00 C ATOM 531 O ILE B 735 5.802 -1.208 -7.113 1.00 0.00 O ATOM 532 CB ILE B 735 8.137 -0.889 -4.706 1.00 0.00 C ATOM 533 CG1 ILE B 735 9.472 -1.443 -4.194 1.00 0.00 C ATOM 534 CG2 ILE B 735 6.989 -1.637 -4.027 1.00 0.00 C ATOM 535 CD1 ILE B 735 9.907 -0.652 -2.959 1.00 0.00 C ATOM 0 H ILE B 735 9.803 0.109 -6.105 1.00 0.00 H new ATOM 0 HA ILE B 735 8.056 -2.122 -6.514 1.00 0.00 H new ATOM 0 HB ILE B 735 8.083 0.174 -4.473 1.00 0.00 H new ATOM 0 HG12 ILE B 735 9.369 -2.499 -3.946 1.00 0.00 H new ATOM 0 HG13 ILE B 735 10.231 -1.371 -4.973 1.00 0.00 H new ATOM 0 HG21 ILE B 735 7.061 -1.511 -2.947 1.00 0.00 H new ATOM 0 HG22 ILE B 735 6.037 -1.237 -4.376 1.00 0.00 H new ATOM 0 HG23 ILE B 735 7.049 -2.697 -4.273 1.00 0.00 H new ATOM 0 HD11 ILE B 735 10.856 -1.043 -2.592 1.00 0.00 H new ATOM 0 HD12 ILE B 735 10.025 0.399 -3.223 1.00 0.00 H new ATOM 0 HD13 ILE B 735 9.150 -0.747 -2.181 1.00 0.00 H new ATOM 547 N LEU B 736 6.585 0.811 -6.748 1.00 0.00 N ATOM 548 CA LEU B 736 5.325 1.438 -7.240 1.00 0.00 C ATOM 549 C LEU B 736 5.211 1.270 -8.755 1.00 0.00 C ATOM 550 O LEU B 736 4.197 0.841 -9.266 1.00 0.00 O ATOM 551 CB LEU B 736 5.446 2.919 -6.877 1.00 0.00 C ATOM 552 CG LEU B 736 4.575 3.218 -5.655 1.00 0.00 C ATOM 553 CD1 LEU B 736 4.706 4.697 -5.288 1.00 0.00 C ATOM 554 CD2 LEU B 736 3.113 2.901 -5.979 1.00 0.00 C ATOM 0 H LEU B 736 7.304 1.466 -6.440 1.00 0.00 H new ATOM 0 HA LEU B 736 4.439 0.982 -6.798 1.00 0.00 H new ATOM 0 HB2 LEU B 736 6.486 3.169 -6.666 1.00 0.00 H new ATOM 0 HB3 LEU B 736 5.135 3.537 -7.719 1.00 0.00 H new ATOM 0 HG LEU B 736 4.902 2.603 -4.816 1.00 0.00 H new ATOM 0 HD11 LEU B 736 4.086 4.912 -4.418 1.00 0.00 H new ATOM 0 HD12 LEU B 736 5.747 4.924 -5.057 1.00 0.00 H new ATOM 0 HD13 LEU B 736 4.378 5.311 -6.127 1.00 0.00 H new ATOM 0 HD21 LEU B 736 2.493 3.114 -5.108 1.00 0.00 H new ATOM 0 HD22 LEU B 736 2.785 3.515 -6.817 1.00 0.00 H new ATOM 0 HD23 LEU B 736 3.019 1.847 -6.242 1.00 0.00 H new ATOM 566 N GLN B 737 6.254 1.588 -9.476 1.00 0.00 N ATOM 567 CA GLN B 737 6.212 1.455 -10.964 1.00 0.00 C ATOM 568 C GLN B 737 5.636 0.095 -11.383 1.00 0.00 C ATOM 569 O GLN B 737 4.803 0.017 -12.265 1.00 0.00 O ATOM 570 CB GLN B 737 7.671 1.581 -11.415 1.00 0.00 C ATOM 571 CG GLN B 737 7.774 1.316 -12.919 1.00 0.00 C ATOM 572 CD GLN B 737 8.477 -0.023 -13.154 1.00 0.00 C ATOM 573 OE1 GLN B 737 7.958 -1.064 -12.805 1.00 0.00 O ATOM 574 NE2 GLN B 737 9.644 -0.039 -13.738 1.00 0.00 N ATOM 0 H GLN B 737 7.136 1.935 -9.098 1.00 0.00 H new ATOM 0 HA GLN B 737 5.572 2.211 -11.417 1.00 0.00 H new ATOM 0 HB2 GLN B 737 8.047 2.578 -11.186 1.00 0.00 H new ATOM 0 HB3 GLN B 737 8.293 0.872 -10.868 1.00 0.00 H new ATOM 0 HG2 GLN B 737 6.780 1.300 -13.365 1.00 0.00 H new ATOM 0 HG3 GLN B 737 8.328 2.120 -13.404 1.00 0.00 H new ATOM 0 HE21 GLN B 737 10.080 0.835 -14.031 1.00 0.00 H new ATOM 0 HE22 GLN B 737 10.120 -0.926 -13.901 1.00 0.00 H new ATOM 583 N GLN B 738 6.086 -0.981 -10.788 1.00 0.00 N ATOM 584 CA GLN B 738 5.538 -2.310 -11.171 1.00 0.00 C ATOM 585 C GLN B 738 4.195 -2.536 -10.473 1.00 0.00 C ATOM 586 O GLN B 738 3.368 -3.303 -10.925 1.00 0.00 O ATOM 587 CB GLN B 738 6.585 -3.320 -10.699 1.00 0.00 C ATOM 588 CG GLN B 738 6.785 -3.196 -9.191 1.00 0.00 C ATOM 589 CD GLN B 738 6.703 -4.585 -8.564 1.00 0.00 C ATOM 590 OE1 GLN B 738 6.884 -5.579 -9.240 1.00 0.00 O ATOM 591 NE2 GLN B 738 6.434 -4.705 -7.296 1.00 0.00 N ATOM 0 H GLN B 738 6.802 -0.994 -10.061 1.00 0.00 H new ATOM 0 HA GLN B 738 5.354 -2.399 -12.242 1.00 0.00 H new ATOM 0 HB2 GLN B 738 6.266 -4.332 -10.950 1.00 0.00 H new ATOM 0 HB3 GLN B 738 7.529 -3.146 -11.215 1.00 0.00 H new ATOM 0 HG2 GLN B 738 7.752 -2.742 -8.975 1.00 0.00 H new ATOM 0 HG3 GLN B 738 6.024 -2.544 -8.762 1.00 0.00 H new ATOM 0 HE21 GLN B 738 6.282 -3.873 -6.726 1.00 0.00 H new ATOM 0 HE22 GLN B 738 6.376 -5.631 -6.872 1.00 0.00 H new ATOM 600 N VAL B 739 3.961 -1.843 -9.392 1.00 0.00 N ATOM 601 CA VAL B 739 2.667 -1.984 -8.671 1.00 0.00 C ATOM 602 C VAL B 739 1.589 -1.146 -9.378 1.00 0.00 C ATOM 603 O VAL B 739 0.415 -1.449 -9.318 1.00 0.00 O ATOM 604 CB VAL B 739 2.985 -1.456 -7.259 1.00 0.00 C ATOM 605 CG1 VAL B 739 1.725 -0.938 -6.555 1.00 0.00 C ATOM 606 CG2 VAL B 739 3.594 -2.587 -6.428 1.00 0.00 C ATOM 0 H VAL B 739 4.616 -1.181 -8.976 1.00 0.00 H new ATOM 0 HA VAL B 739 2.279 -3.002 -8.642 1.00 0.00 H new ATOM 0 HB VAL B 739 3.687 -0.627 -7.355 1.00 0.00 H new ATOM 0 HG11 VAL B 739 1.987 -0.573 -5.562 1.00 0.00 H new ATOM 0 HG12 VAL B 739 1.291 -0.125 -7.137 1.00 0.00 H new ATOM 0 HG13 VAL B 739 1.000 -1.747 -6.465 1.00 0.00 H new ATOM 0 HG21 VAL B 739 3.822 -2.221 -5.427 1.00 0.00 H new ATOM 0 HG22 VAL B 739 2.884 -3.411 -6.360 1.00 0.00 H new ATOM 0 HG23 VAL B 739 4.510 -2.936 -6.904 1.00 0.00 H new ATOM 616 N LYS B 740 1.984 -0.093 -10.040 1.00 0.00 N ATOM 617 CA LYS B 740 0.989 0.766 -10.743 1.00 0.00 C ATOM 618 C LYS B 740 0.299 -0.021 -11.854 1.00 0.00 C ATOM 619 O LYS B 740 -0.913 -0.072 -11.932 1.00 0.00 O ATOM 620 CB LYS B 740 1.809 1.911 -11.337 1.00 0.00 C ATOM 621 CG LYS B 740 1.096 3.235 -11.068 1.00 0.00 C ATOM 622 CD LYS B 740 1.096 3.514 -9.566 1.00 0.00 C ATOM 623 CE LYS B 740 -0.115 4.379 -9.213 1.00 0.00 C ATOM 624 NZ LYS B 740 0.463 5.648 -8.688 1.00 0.00 N ATOM 0 H LYS B 740 2.954 0.210 -10.125 1.00 0.00 H new ATOM 0 HA LYS B 740 0.207 1.122 -10.072 1.00 0.00 H new ATOM 0 HB2 LYS B 740 2.806 1.926 -10.897 1.00 0.00 H new ATOM 0 HB3 LYS B 740 1.936 1.764 -12.410 1.00 0.00 H new ATOM 0 HG2 LYS B 740 1.596 4.045 -11.600 1.00 0.00 H new ATOM 0 HG3 LYS B 740 0.073 3.192 -11.441 1.00 0.00 H new ATOM 0 HD2 LYS B 740 1.062 2.577 -9.010 1.00 0.00 H new ATOM 0 HD3 LYS B 740 2.017 4.022 -9.279 1.00 0.00 H new ATOM 0 HE2 LYS B 740 -0.739 4.561 -10.088 1.00 0.00 H new ATOM 0 HE3 LYS B 740 -0.744 3.893 -8.468 1.00 0.00 H new ATOM 0 HZ1 LYS B 740 -0.305 6.276 -8.376 1.00 0.00 H new ATOM 0 HZ2 LYS B 740 1.088 5.438 -7.883 1.00 0.00 H new ATOM 0 HZ3 LYS B 740 1.010 6.117 -9.438 1.00 0.00 H new ATOM 638 N SER B 741 1.059 -0.639 -12.713 1.00 0.00 N ATOM 639 CA SER B 741 0.446 -1.441 -13.804 1.00 0.00 C ATOM 640 C SER B 741 0.257 -2.890 -13.349 1.00 0.00 C ATOM 641 O SER B 741 0.079 -3.784 -14.152 1.00 0.00 O ATOM 642 CB SER B 741 1.452 -1.368 -14.954 1.00 0.00 C ATOM 643 OG SER B 741 0.770 -1.521 -16.190 1.00 0.00 O ATOM 0 H SER B 741 2.079 -0.623 -12.706 1.00 0.00 H new ATOM 0 HA SER B 741 -0.536 -1.068 -14.094 1.00 0.00 H new ATOM 0 HB2 SER B 741 1.977 -0.413 -14.932 1.00 0.00 H new ATOM 0 HB3 SER B 741 2.205 -2.148 -14.843 1.00 0.00 H new ATOM 0 HG SER B 741 1.414 -1.473 -16.927 1.00 0.00 H new ATOM 649 N HIS B 742 0.297 -3.130 -12.065 1.00 0.00 N ATOM 650 CA HIS B 742 0.126 -4.519 -11.562 1.00 0.00 C ATOM 651 C HIS B 742 -1.269 -5.045 -11.900 1.00 0.00 C ATOM 652 O HIS B 742 -2.202 -4.288 -12.083 1.00 0.00 O ATOM 653 CB HIS B 742 0.298 -4.404 -10.047 1.00 0.00 C ATOM 654 CG HIS B 742 1.006 -5.625 -9.532 1.00 0.00 C ATOM 655 ND1 HIS B 742 2.375 -5.793 -9.665 1.00 0.00 N ATOM 656 CD2 HIS B 742 0.550 -6.749 -8.889 1.00 0.00 C ATOM 657 CE1 HIS B 742 2.694 -6.976 -9.112 1.00 0.00 C ATOM 658 NE2 HIS B 742 1.619 -7.601 -8.624 1.00 0.00 N ATOM 0 H HIS B 742 0.441 -2.422 -11.345 1.00 0.00 H new ATOM 0 HA HIS B 742 0.839 -5.211 -12.011 1.00 0.00 H new ATOM 0 HB2 HIS B 742 0.869 -3.508 -9.801 1.00 0.00 H new ATOM 0 HB3 HIS B 742 -0.675 -4.304 -9.566 1.00 0.00 H new ATOM 0 HD1 HIS B 742 3.023 -5.138 -10.103 1.00 0.00 H new ATOM 0 HD2 HIS B 742 -0.480 -6.943 -8.629 1.00 0.00 H new ATOM 0 HE1 HIS B 742 3.697 -7.373 -9.068 1.00 0.00 H new ATOM 666 N GLN B 743 -1.420 -6.339 -11.978 1.00 0.00 N ATOM 667 CA GLN B 743 -2.756 -6.920 -12.295 1.00 0.00 C ATOM 668 C GLN B 743 -3.646 -6.969 -11.046 1.00 0.00 C ATOM 669 O GLN B 743 -4.730 -7.518 -11.073 1.00 0.00 O ATOM 670 CB GLN B 743 -2.457 -8.337 -12.786 1.00 0.00 C ATOM 671 CG GLN B 743 -3.537 -8.772 -13.778 1.00 0.00 C ATOM 672 CD GLN B 743 -2.887 -9.123 -15.118 1.00 0.00 C ATOM 673 OE1 GLN B 743 -1.901 -8.527 -15.503 1.00 0.00 O ATOM 674 NE2 GLN B 743 -3.403 -10.072 -15.851 1.00 0.00 N ATOM 0 H GLN B 743 -0.674 -7.020 -11.836 1.00 0.00 H new ATOM 0 HA GLN B 743 -3.292 -6.324 -13.034 1.00 0.00 H new ATOM 0 HB2 GLN B 743 -1.477 -8.369 -13.262 1.00 0.00 H new ATOM 0 HB3 GLN B 743 -2.424 -9.026 -11.942 1.00 0.00 H new ATOM 0 HG2 GLN B 743 -4.079 -9.634 -13.388 1.00 0.00 H new ATOM 0 HG3 GLN B 743 -4.265 -7.972 -13.913 1.00 0.00 H new ATOM 0 HE21 GLN B 743 -4.231 -10.573 -15.528 1.00 0.00 H new ATOM 0 HE22 GLN B 743 -2.978 -10.313 -16.747 1.00 0.00 H new ATOM 683 N SER B 744 -3.201 -6.415 -9.949 1.00 0.00 N ATOM 684 CA SER B 744 -4.032 -6.444 -8.713 1.00 0.00 C ATOM 685 C SER B 744 -4.027 -5.074 -8.024 1.00 0.00 C ATOM 686 O SER B 744 -4.528 -4.923 -6.928 1.00 0.00 O ATOM 687 CB SER B 744 -3.362 -7.493 -7.822 1.00 0.00 C ATOM 688 OG SER B 744 -3.583 -8.786 -8.365 1.00 0.00 O ATOM 0 H SER B 744 -2.300 -5.945 -9.857 1.00 0.00 H new ATOM 0 HA SER B 744 -5.075 -6.682 -8.924 1.00 0.00 H new ATOM 0 HB2 SER B 744 -2.293 -7.295 -7.750 1.00 0.00 H new ATOM 0 HB3 SER B 744 -3.765 -7.438 -6.811 1.00 0.00 H new ATOM 0 HG SER B 744 -4.537 -8.902 -8.556 1.00 0.00 H new ATOM 694 N ALA B 745 -3.458 -4.076 -8.647 1.00 0.00 N ATOM 695 CA ALA B 745 -3.438 -2.724 -8.023 1.00 0.00 C ATOM 696 C ALA B 745 -4.773 -2.004 -8.236 1.00 0.00 C ATOM 697 O ALA B 745 -4.945 -0.873 -7.826 1.00 0.00 O ATOM 698 CB ALA B 745 -2.315 -1.979 -8.746 1.00 0.00 C ATOM 0 H ALA B 745 -3.007 -4.140 -9.560 1.00 0.00 H new ATOM 0 HA ALA B 745 -3.280 -2.776 -6.946 1.00 0.00 H new ATOM 0 HB1 ALA B 745 -2.232 -0.969 -8.345 1.00 0.00 H new ATOM 0 HB2 ALA B 745 -1.373 -2.507 -8.597 1.00 0.00 H new ATOM 0 HB3 ALA B 745 -2.539 -1.929 -9.812 1.00 0.00 H new ATOM 704 N TRP B 746 -5.722 -2.637 -8.875 1.00 0.00 N ATOM 705 CA TRP B 746 -7.021 -1.955 -9.125 1.00 0.00 C ATOM 706 C TRP B 746 -7.706 -1.564 -7.800 1.00 0.00 C ATOM 707 O TRP B 746 -8.061 -0.415 -7.626 1.00 0.00 O ATOM 708 CB TRP B 746 -7.869 -2.955 -9.916 1.00 0.00 C ATOM 709 CG TRP B 746 -7.160 -3.383 -11.169 1.00 0.00 C ATOM 710 CD1 TRP B 746 -7.593 -4.379 -11.977 1.00 0.00 C ATOM 711 CD2 TRP B 746 -5.930 -2.870 -11.782 1.00 0.00 C ATOM 712 NE1 TRP B 746 -6.718 -4.515 -13.037 1.00 0.00 N ATOM 713 CE2 TRP B 746 -5.680 -3.611 -12.965 1.00 0.00 C ATOM 714 CE3 TRP B 746 -5.013 -1.851 -11.442 1.00 0.00 C ATOM 715 CZ2 TRP B 746 -4.572 -3.355 -13.773 1.00 0.00 C ATOM 716 CZ3 TRP B 746 -3.897 -1.594 -12.256 1.00 0.00 C ATOM 717 CH2 TRP B 746 -3.678 -2.344 -13.418 1.00 0.00 C ATOM 0 H TRP B 746 -5.653 -3.590 -9.231 1.00 0.00 H new ATOM 0 HA TRP B 746 -6.885 -1.026 -9.678 1.00 0.00 H new ATOM 0 HB2 TRP B 746 -8.082 -3.827 -9.298 1.00 0.00 H new ATOM 0 HB3 TRP B 746 -8.828 -2.504 -10.172 1.00 0.00 H new ATOM 0 HD1 TRP B 746 -8.481 -4.973 -11.818 1.00 0.00 H new ATOM 0 HE1 TRP B 746 -6.827 -5.202 -13.783 1.00 0.00 H new ATOM 0 HE3 TRP B 746 -5.171 -1.265 -10.549 1.00 0.00 H new ATOM 0 HZ2 TRP B 746 -4.407 -3.936 -14.668 1.00 0.00 H new ATOM 0 HZ3 TRP B 746 -3.203 -0.812 -11.984 1.00 0.00 H new ATOM 0 HH2 TRP B 746 -2.818 -2.140 -14.039 1.00 0.00 H new ATOM 728 N PRO B 747 -7.867 -2.507 -6.891 1.00 0.00 N ATOM 729 CA PRO B 747 -8.511 -2.179 -5.594 1.00 0.00 C ATOM 730 C PRO B 747 -7.642 -1.208 -4.795 1.00 0.00 C ATOM 731 O PRO B 747 -8.118 -0.502 -3.928 1.00 0.00 O ATOM 732 CB PRO B 747 -8.596 -3.522 -4.868 1.00 0.00 C ATOM 733 CG PRO B 747 -7.583 -4.392 -5.537 1.00 0.00 C ATOM 734 CD PRO B 747 -7.486 -3.928 -6.963 1.00 0.00 C ATOM 0 HA PRO B 747 -9.483 -1.703 -5.721 1.00 0.00 H new ATOM 0 HB2 PRO B 747 -8.379 -3.410 -3.806 1.00 0.00 H new ATOM 0 HB3 PRO B 747 -9.596 -3.950 -4.946 1.00 0.00 H new ATOM 0 HG2 PRO B 747 -6.617 -4.314 -5.039 1.00 0.00 H new ATOM 0 HG3 PRO B 747 -7.882 -5.439 -5.491 1.00 0.00 H new ATOM 0 HD2 PRO B 747 -6.478 -4.053 -7.358 1.00 0.00 H new ATOM 0 HD3 PRO B 747 -8.155 -4.490 -7.614 1.00 0.00 H new ATOM 742 N PHE B 748 -6.367 -1.180 -5.068 1.00 0.00 N ATOM 743 CA PHE B 748 -5.464 -0.272 -4.308 1.00 0.00 C ATOM 744 C PHE B 748 -5.255 1.044 -5.059 1.00 0.00 C ATOM 745 O PHE B 748 -4.368 1.808 -4.742 1.00 0.00 O ATOM 746 CB PHE B 748 -4.142 -1.034 -4.202 1.00 0.00 C ATOM 747 CG PHE B 748 -4.380 -2.372 -3.544 1.00 0.00 C ATOM 748 CD1 PHE B 748 -4.739 -2.435 -2.193 1.00 0.00 C ATOM 749 CD2 PHE B 748 -4.240 -3.549 -4.286 1.00 0.00 C ATOM 750 CE1 PHE B 748 -4.956 -3.677 -1.585 1.00 0.00 C ATOM 751 CE2 PHE B 748 -4.454 -4.791 -3.678 1.00 0.00 C ATOM 752 CZ PHE B 748 -4.813 -4.854 -2.327 1.00 0.00 C ATOM 0 H PHE B 748 -5.912 -1.746 -5.784 1.00 0.00 H new ATOM 0 HA PHE B 748 -5.877 -0.013 -3.333 1.00 0.00 H new ATOM 0 HB2 PHE B 748 -3.712 -1.176 -5.194 1.00 0.00 H new ATOM 0 HB3 PHE B 748 -3.422 -0.455 -3.623 1.00 0.00 H new ATOM 0 HD1 PHE B 748 -4.849 -1.526 -1.620 1.00 0.00 H new ATOM 0 HD2 PHE B 748 -3.966 -3.499 -5.330 1.00 0.00 H new ATOM 0 HE1 PHE B 748 -5.234 -3.726 -0.543 1.00 0.00 H new ATOM 0 HE2 PHE B 748 -4.342 -5.700 -4.251 1.00 0.00 H new ATOM 0 HZ PHE B 748 -4.980 -5.812 -1.857 1.00 0.00 H new ATOM 762 N MET B 749 -6.055 1.321 -6.051 1.00 0.00 N ATOM 763 CA MET B 749 -5.888 2.600 -6.797 1.00 0.00 C ATOM 764 C MET B 749 -7.130 3.478 -6.641 1.00 0.00 C ATOM 765 O MET B 749 -7.345 4.404 -7.398 1.00 0.00 O ATOM 766 CB MET B 749 -5.712 2.190 -8.257 1.00 0.00 C ATOM 767 CG MET B 749 -4.261 1.765 -8.495 1.00 0.00 C ATOM 768 SD MET B 749 -3.419 3.014 -9.500 1.00 0.00 S ATOM 769 CE MET B 749 -2.478 1.870 -10.541 1.00 0.00 C ATOM 0 H MET B 749 -6.813 0.721 -6.376 1.00 0.00 H new ATOM 0 HA MET B 749 -5.041 3.178 -6.427 1.00 0.00 H new ATOM 0 HB2 MET B 749 -6.387 1.369 -8.500 1.00 0.00 H new ATOM 0 HB3 MET B 749 -5.971 3.021 -8.913 1.00 0.00 H new ATOM 0 HG2 MET B 749 -3.746 1.643 -7.542 1.00 0.00 H new ATOM 0 HG3 MET B 749 -4.232 0.799 -8.999 1.00 0.00 H new ATOM 0 HE1 MET B 749 -1.783 2.433 -11.164 1.00 0.00 H new ATOM 0 HE2 MET B 749 -1.920 1.178 -9.910 1.00 0.00 H new ATOM 0 HE3 MET B 749 -3.163 1.309 -11.177 1.00 0.00 H new ATOM 779 N GLU B 750 -7.951 3.197 -5.667 1.00 0.00 N ATOM 780 CA GLU B 750 -9.172 4.024 -5.466 1.00 0.00 C ATOM 781 C GLU B 750 -9.298 4.428 -3.991 1.00 0.00 C ATOM 782 O GLU B 750 -9.101 3.611 -3.113 1.00 0.00 O ATOM 783 CB GLU B 750 -10.333 3.116 -5.875 1.00 0.00 C ATOM 784 CG GLU B 750 -10.364 1.884 -4.971 1.00 0.00 C ATOM 785 CD GLU B 750 -11.442 0.915 -5.463 1.00 0.00 C ATOM 786 OE1 GLU B 750 -12.318 1.354 -6.190 1.00 0.00 O ATOM 787 OE2 GLU B 750 -11.373 -0.249 -5.104 1.00 0.00 O ATOM 0 H GLU B 750 -7.829 2.432 -5.003 1.00 0.00 H new ATOM 0 HA GLU B 750 -9.150 4.946 -6.047 1.00 0.00 H new ATOM 0 HB2 GLU B 750 -11.276 3.658 -5.800 1.00 0.00 H new ATOM 0 HB3 GLU B 750 -10.221 2.813 -6.916 1.00 0.00 H new ATOM 0 HG2 GLU B 750 -9.391 1.393 -4.974 1.00 0.00 H new ATOM 0 HG3 GLU B 750 -10.569 2.180 -3.942 1.00 0.00 H new ATOM 794 N PRO B 751 -9.617 5.681 -3.758 1.00 0.00 N ATOM 795 CA PRO B 751 -9.755 6.174 -2.368 1.00 0.00 C ATOM 796 C PRO B 751 -11.078 5.704 -1.764 1.00 0.00 C ATOM 797 O PRO B 751 -12.139 6.000 -2.275 1.00 0.00 O ATOM 798 CB PRO B 751 -9.753 7.692 -2.525 1.00 0.00 C ATOM 799 CG PRO B 751 -10.242 7.942 -3.917 1.00 0.00 C ATOM 800 CD PRO B 751 -9.870 6.740 -4.747 1.00 0.00 C ATOM 0 HA PRO B 751 -8.967 5.812 -1.708 1.00 0.00 H new ATOM 0 HB2 PRO B 751 -10.402 8.165 -1.788 1.00 0.00 H new ATOM 0 HB3 PRO B 751 -8.754 8.102 -2.379 1.00 0.00 H new ATOM 0 HG2 PRO B 751 -11.321 8.094 -3.923 1.00 0.00 H new ATOM 0 HG3 PRO B 751 -9.790 8.846 -4.326 1.00 0.00 H new ATOM 0 HD2 PRO B 751 -10.674 6.463 -5.429 1.00 0.00 H new ATOM 0 HD3 PRO B 751 -8.987 6.935 -5.356 1.00 0.00 H new ATOM 808 N VAL B 752 -11.028 4.983 -0.676 1.00 0.00 N ATOM 809 CA VAL B 752 -12.296 4.498 -0.048 1.00 0.00 C ATOM 810 C VAL B 752 -13.252 5.686 0.197 1.00 0.00 C ATOM 811 O VAL B 752 -13.960 6.095 -0.701 1.00 0.00 O ATOM 812 CB VAL B 752 -11.881 3.769 1.257 1.00 0.00 C ATOM 813 CG1 VAL B 752 -10.807 4.559 2.019 1.00 0.00 C ATOM 814 CG2 VAL B 752 -13.100 3.561 2.157 1.00 0.00 C ATOM 0 H VAL B 752 -10.171 4.709 -0.196 1.00 0.00 H new ATOM 0 HA VAL B 752 -12.845 3.808 -0.689 1.00 0.00 H new ATOM 0 HB VAL B 752 -11.464 2.801 0.979 1.00 0.00 H new ATOM 0 HG11 VAL B 752 -10.537 4.022 2.929 1.00 0.00 H new ATOM 0 HG12 VAL B 752 -9.924 4.673 1.390 1.00 0.00 H new ATOM 0 HG13 VAL B 752 -11.196 5.543 2.280 1.00 0.00 H new ATOM 0 HG21 VAL B 752 -12.795 3.048 3.069 1.00 0.00 H new ATOM 0 HG22 VAL B 752 -13.534 4.528 2.412 1.00 0.00 H new ATOM 0 HG23 VAL B 752 -13.841 2.958 1.632 1.00 0.00 H new ATOM 899 N ALA B 757 -17.902 4.959 3.860 1.00 0.00 N ATOM 900 CA ALA B 757 -17.080 3.726 4.011 1.00 0.00 C ATOM 901 C ALA B 757 -16.926 3.383 5.499 1.00 0.00 C ATOM 902 O ALA B 757 -15.834 3.421 6.030 1.00 0.00 O ATOM 903 CB ALA B 757 -15.724 4.089 3.395 1.00 0.00 C ATOM 0 HA ALA B 757 -17.528 2.857 3.529 1.00 0.00 H new ATOM 0 HB1 ALA B 757 -15.052 3.233 3.464 1.00 0.00 H new ATOM 0 HB2 ALA B 757 -15.861 4.360 2.348 1.00 0.00 H new ATOM 0 HB3 ALA B 757 -15.293 4.932 3.935 1.00 0.00 H new ATOM 909 N PRO B 758 -18.035 3.072 6.132 1.00 0.00 N ATOM 910 CA PRO B 758 -18.015 2.740 7.579 1.00 0.00 C ATOM 911 C PRO B 758 -17.108 1.538 7.851 1.00 0.00 C ATOM 912 O PRO B 758 -16.865 0.721 6.986 1.00 0.00 O ATOM 913 CB PRO B 758 -19.472 2.397 7.908 1.00 0.00 C ATOM 914 CG PRO B 758 -20.155 2.208 6.588 1.00 0.00 C ATOM 915 CD PRO B 758 -19.391 3.010 5.573 1.00 0.00 C ATOM 0 HA PRO B 758 -17.628 3.559 8.186 1.00 0.00 H new ATOM 0 HB2 PRO B 758 -19.534 1.493 8.513 1.00 0.00 H new ATOM 0 HB3 PRO B 758 -19.942 3.196 8.481 1.00 0.00 H new ATOM 0 HG2 PRO B 758 -20.172 1.154 6.311 1.00 0.00 H new ATOM 0 HG3 PRO B 758 -21.192 2.541 6.640 1.00 0.00 H new ATOM 0 HD2 PRO B 758 -19.400 2.531 4.594 1.00 0.00 H new ATOM 0 HD3 PRO B 758 -19.818 4.005 5.444 1.00 0.00 H new ATOM 923 N GLY B 759 -16.609 1.423 9.051 1.00 0.00 N ATOM 924 CA GLY B 759 -15.714 0.280 9.382 1.00 0.00 C ATOM 925 C GLY B 759 -14.257 0.721 9.234 1.00 0.00 C ATOM 926 O GLY B 759 -13.367 0.181 9.860 1.00 0.00 O ATOM 0 H GLY B 759 -16.783 2.073 9.818 1.00 0.00 H new ATOM 0 HA2 GLY B 759 -15.901 -0.061 10.400 1.00 0.00 H new ATOM 0 HA3 GLY B 759 -15.920 -0.562 8.721 1.00 0.00 H new ATOM 930 N TYR B 760 -14.010 1.705 8.415 1.00 0.00 N ATOM 931 CA TYR B 760 -12.613 2.187 8.227 1.00 0.00 C ATOM 932 C TYR B 760 -12.122 2.898 9.490 1.00 0.00 C ATOM 933 O TYR B 760 -12.271 4.095 9.640 1.00 0.00 O ATOM 934 CB TYR B 760 -12.694 3.163 7.051 1.00 0.00 C ATOM 935 CG TYR B 760 -12.093 2.517 5.827 1.00 0.00 C ATOM 936 CD1 TYR B 760 -12.804 1.524 5.142 1.00 0.00 C ATOM 937 CD2 TYR B 760 -10.821 2.899 5.386 1.00 0.00 C ATOM 938 CE1 TYR B 760 -12.246 0.918 4.011 1.00 0.00 C ATOM 939 CE2 TYR B 760 -10.263 2.293 4.254 1.00 0.00 C ATOM 940 CZ TYR B 760 -10.976 1.304 3.566 1.00 0.00 C ATOM 941 OH TYR B 760 -10.425 0.706 2.451 1.00 0.00 O ATOM 0 H TYR B 760 -14.716 2.197 7.867 1.00 0.00 H new ATOM 0 HA TYR B 760 -11.913 1.373 8.036 1.00 0.00 H new ATOM 0 HB2 TYR B 760 -13.732 3.436 6.860 1.00 0.00 H new ATOM 0 HB3 TYR B 760 -12.161 4.084 7.290 1.00 0.00 H new ATOM 0 HD1 TYR B 760 -13.783 1.226 5.487 1.00 0.00 H new ATOM 0 HD2 TYR B 760 -10.270 3.660 5.918 1.00 0.00 H new ATOM 0 HE1 TYR B 760 -12.795 0.153 3.482 1.00 0.00 H new ATOM 0 HE2 TYR B 760 -9.282 2.589 3.911 1.00 0.00 H new ATOM 0 HH TYR B 760 -9.540 1.090 2.278 1.00 0.00 H new ATOM 951 N TYR B 761 -11.544 2.164 10.402 1.00 0.00 N ATOM 952 CA TYR B 761 -11.042 2.784 11.661 1.00 0.00 C ATOM 953 C TYR B 761 -10.320 1.736 12.510 1.00 0.00 C ATOM 954 O TYR B 761 -9.326 2.017 13.151 1.00 0.00 O ATOM 955 CB TYR B 761 -12.296 3.280 12.386 1.00 0.00 C ATOM 956 CG TYR B 761 -11.892 4.021 13.638 1.00 0.00 C ATOM 957 CD1 TYR B 761 -11.122 5.186 13.544 1.00 0.00 C ATOM 958 CD2 TYR B 761 -12.286 3.542 14.893 1.00 0.00 C ATOM 959 CE1 TYR B 761 -10.747 5.873 14.705 1.00 0.00 C ATOM 960 CE2 TYR B 761 -11.911 4.228 16.054 1.00 0.00 C ATOM 961 CZ TYR B 761 -11.141 5.394 15.960 1.00 0.00 C ATOM 962 OH TYR B 761 -10.771 6.071 17.105 1.00 0.00 O ATOM 0 H TYR B 761 -11.397 1.157 10.328 1.00 0.00 H new ATOM 0 HA TYR B 761 -10.333 3.590 11.470 1.00 0.00 H new ATOM 0 HB2 TYR B 761 -12.872 3.935 11.732 1.00 0.00 H new ATOM 0 HB3 TYR B 761 -12.939 2.438 12.640 1.00 0.00 H new ATOM 0 HD1 TYR B 761 -10.817 5.555 12.576 1.00 0.00 H new ATOM 0 HD2 TYR B 761 -12.880 2.643 14.965 1.00 0.00 H new ATOM 0 HE1 TYR B 761 -10.154 6.773 14.632 1.00 0.00 H new ATOM 0 HE2 TYR B 761 -12.215 3.858 17.022 1.00 0.00 H new ATOM 0 HH TYR B 761 -11.128 5.605 17.890 1.00 0.00 H new ATOM 972 N GLU B 762 -10.815 0.528 12.520 1.00 0.00 N ATOM 973 CA GLU B 762 -10.156 -0.543 13.320 1.00 0.00 C ATOM 974 C GLU B 762 -9.546 -1.594 12.390 1.00 0.00 C ATOM 975 O GLU B 762 -8.645 -2.320 12.763 1.00 0.00 O ATOM 976 CB GLU B 762 -11.281 -1.156 14.157 1.00 0.00 C ATOM 977 CG GLU B 762 -11.101 -0.758 15.623 1.00 0.00 C ATOM 978 CD GLU B 762 -11.664 -1.859 16.524 1.00 0.00 C ATOM 979 OE1 GLU B 762 -11.379 -3.016 16.260 1.00 0.00 O ATOM 980 OE2 GLU B 762 -12.370 -1.527 17.461 1.00 0.00 O ATOM 0 H GLU B 762 -11.648 0.237 12.008 1.00 0.00 H new ATOM 0 HA GLU B 762 -9.347 -0.160 13.941 1.00 0.00 H new ATOM 0 HB2 GLU B 762 -12.249 -0.812 13.792 1.00 0.00 H new ATOM 0 HB3 GLU B 762 -11.271 -2.242 14.060 1.00 0.00 H new ATOM 0 HG2 GLU B 762 -10.045 -0.600 15.841 1.00 0.00 H new ATOM 0 HG3 GLU B 762 -11.612 0.185 15.820 1.00 0.00 H new ATOM 987 N VAL B 763 -10.032 -1.683 11.181 1.00 0.00 N ATOM 988 CA VAL B 763 -9.457 -2.668 10.220 1.00 0.00 C ATOM 989 C VAL B 763 -8.453 -1.974 9.308 1.00 0.00 C ATOM 990 O VAL B 763 -7.560 -2.592 8.764 1.00 0.00 O ATOM 991 CB VAL B 763 -10.639 -3.197 9.401 1.00 0.00 C ATOM 992 CG1 VAL B 763 -11.556 -4.014 10.305 1.00 0.00 C ATOM 993 CG2 VAL B 763 -11.429 -2.035 8.792 1.00 0.00 C ATOM 0 H VAL B 763 -10.800 -1.118 10.818 1.00 0.00 H new ATOM 0 HA VAL B 763 -8.935 -3.476 10.732 1.00 0.00 H new ATOM 0 HB VAL B 763 -10.257 -3.824 8.596 1.00 0.00 H new ATOM 0 HG11 VAL B 763 -12.398 -4.391 9.724 1.00 0.00 H new ATOM 0 HG12 VAL B 763 -11.000 -4.852 10.725 1.00 0.00 H new ATOM 0 HG13 VAL B 763 -11.927 -3.383 11.113 1.00 0.00 H new ATOM 0 HG21 VAL B 763 -12.265 -2.427 8.213 1.00 0.00 H new ATOM 0 HG22 VAL B 763 -11.808 -1.395 9.589 1.00 0.00 H new ATOM 0 HG23 VAL B 763 -10.777 -1.454 8.140 1.00 0.00 H new ATOM 1003 N ILE B 764 -8.596 -0.692 9.130 1.00 0.00 N ATOM 1004 CA ILE B 764 -7.642 0.044 8.262 1.00 0.00 C ATOM 1005 C ILE B 764 -7.013 1.191 9.052 1.00 0.00 C ATOM 1006 O ILE B 764 -7.503 2.303 9.047 1.00 0.00 O ATOM 1007 CB ILE B 764 -8.471 0.598 7.086 1.00 0.00 C ATOM 1008 CG1 ILE B 764 -9.495 -0.434 6.569 1.00 0.00 C ATOM 1009 CG2 ILE B 764 -7.527 0.977 5.946 1.00 0.00 C ATOM 1010 CD1 ILE B 764 -8.849 -1.818 6.415 1.00 0.00 C ATOM 0 H ILE B 764 -9.332 -0.123 9.548 1.00 0.00 H new ATOM 0 HA ILE B 764 -6.837 -0.599 7.907 1.00 0.00 H new ATOM 0 HB ILE B 764 -9.021 1.470 7.442 1.00 0.00 H new ATOM 0 HG12 ILE B 764 -10.336 -0.496 7.260 1.00 0.00 H new ATOM 0 HG13 ILE B 764 -9.895 -0.106 5.609 1.00 0.00 H new ATOM 0 HG21 ILE B 764 -8.106 1.370 5.110 1.00 0.00 H new ATOM 0 HG22 ILE B 764 -6.826 1.737 6.291 1.00 0.00 H new ATOM 0 HG23 ILE B 764 -6.975 0.095 5.622 1.00 0.00 H new ATOM 0 HD11 ILE B 764 -9.591 -2.527 6.049 1.00 0.00 H new ATOM 0 HD12 ILE B 764 -8.024 -1.758 5.705 1.00 0.00 H new ATOM 0 HD13 ILE B 764 -8.472 -2.153 7.381 1.00 0.00 H new ATOM 1022 N ARG B 765 -5.937 0.925 9.746 1.00 0.00 N ATOM 1023 CA ARG B 765 -5.279 1.992 10.556 1.00 0.00 C ATOM 1024 C ARG B 765 -5.110 3.270 9.735 1.00 0.00 C ATOM 1025 O ARG B 765 -5.567 4.330 10.115 1.00 0.00 O ATOM 1026 CB ARG B 765 -3.909 1.419 10.915 1.00 0.00 C ATOM 1027 CG ARG B 765 -3.886 1.043 12.398 1.00 0.00 C ATOM 1028 CD ARG B 765 -2.536 1.435 13.003 1.00 0.00 C ATOM 1029 NE ARG B 765 -2.046 0.197 13.679 1.00 0.00 N ATOM 1030 CZ ARG B 765 -0.828 0.132 14.166 1.00 0.00 C ATOM 1031 NH1 ARG B 765 -0.008 1.151 14.074 1.00 0.00 N ATOM 1032 NH2 ARG B 765 -0.428 -0.963 14.752 1.00 0.00 N ATOM 0 H ARG B 765 -5.485 0.012 9.786 1.00 0.00 H new ATOM 0 HA ARG B 765 -5.868 2.256 11.434 1.00 0.00 H new ATOM 0 HB2 ARG B 765 -3.698 0.542 10.303 1.00 0.00 H new ATOM 0 HB3 ARG B 765 -3.130 2.151 10.702 1.00 0.00 H new ATOM 0 HG2 ARG B 765 -4.694 1.550 12.925 1.00 0.00 H new ATOM 0 HG3 ARG B 765 -4.052 -0.028 12.515 1.00 0.00 H new ATOM 0 HD2 ARG B 765 -1.839 1.767 12.233 1.00 0.00 H new ATOM 0 HD3 ARG B 765 -2.644 2.256 13.712 1.00 0.00 H new ATOM 0 HE ARG B 765 -2.665 -0.609 13.764 1.00 0.00 H new ATOM 0 HH11 ARG B 765 -0.313 2.011 13.619 1.00 0.00 H new ATOM 0 HH12 ARG B 765 0.935 1.083 14.458 1.00 0.00 H new ATOM 0 HH21 ARG B 765 -1.060 -1.760 14.829 1.00 0.00 H new ATOM 0 HH22 ARG B 765 0.516 -1.022 15.133 1.00 0.00 H new ATOM 1046 N PHE B 766 -4.459 3.179 8.610 1.00 0.00 N ATOM 1047 CA PHE B 766 -4.266 4.392 7.767 1.00 0.00 C ATOM 1048 C PHE B 766 -4.812 4.148 6.357 1.00 0.00 C ATOM 1049 O PHE B 766 -4.082 3.716 5.489 1.00 0.00 O ATOM 1050 CB PHE B 766 -2.754 4.620 7.689 1.00 0.00 C ATOM 1051 CG PHE B 766 -2.123 4.500 9.061 1.00 0.00 C ATOM 1052 CD1 PHE B 766 -2.730 5.109 10.166 1.00 0.00 C ATOM 1053 CD2 PHE B 766 -0.934 3.780 9.223 1.00 0.00 C ATOM 1054 CE1 PHE B 766 -2.146 4.997 11.434 1.00 0.00 C ATOM 1055 CE2 PHE B 766 -0.351 3.669 10.491 1.00 0.00 C ATOM 1056 CZ PHE B 766 -0.956 4.277 11.596 1.00 0.00 C ATOM 0 H PHE B 766 -4.053 2.320 8.238 1.00 0.00 H new ATOM 0 HA PHE B 766 -4.788 5.251 8.189 1.00 0.00 H new ATOM 0 HB2 PHE B 766 -2.306 3.892 7.012 1.00 0.00 H new ATOM 0 HB3 PHE B 766 -2.551 5.608 7.275 1.00 0.00 H new ATOM 0 HD1 PHE B 766 -3.648 5.665 10.041 1.00 0.00 H new ATOM 0 HD2 PHE B 766 -0.466 3.310 8.370 1.00 0.00 H new ATOM 0 HE1 PHE B 766 -2.614 5.466 12.287 1.00 0.00 H new ATOM 0 HE2 PHE B 766 0.567 3.113 10.616 1.00 0.00 H new ATOM 0 HZ PHE B 766 -0.505 4.191 12.574 1.00 0.00 H new ATOM 1066 N PRO B 767 -6.084 4.417 6.169 1.00 0.00 N ATOM 1067 CA PRO B 767 -6.714 4.290 4.823 1.00 0.00 C ATOM 1068 C PRO B 767 -5.778 4.817 3.727 1.00 0.00 C ATOM 1069 O PRO B 767 -5.767 5.992 3.419 1.00 0.00 O ATOM 1070 CB PRO B 767 -7.959 5.184 4.934 1.00 0.00 C ATOM 1071 CG PRO B 767 -7.813 5.896 6.246 1.00 0.00 C ATOM 1072 CD PRO B 767 -7.033 4.980 7.127 1.00 0.00 C ATOM 0 HA PRO B 767 -6.941 3.258 4.557 1.00 0.00 H new ATOM 0 HB2 PRO B 767 -8.012 5.891 4.106 1.00 0.00 H new ATOM 0 HB3 PRO B 767 -8.874 4.592 4.907 1.00 0.00 H new ATOM 0 HG2 PRO B 767 -7.297 6.847 6.118 1.00 0.00 H new ATOM 0 HG3 PRO B 767 -8.788 6.118 6.680 1.00 0.00 H new ATOM 0 HD2 PRO B 767 -6.535 5.512 7.938 1.00 0.00 H new ATOM 0 HD3 PRO B 767 -7.660 4.215 7.585 1.00 0.00 H new ATOM 1080 N MET B 768 -4.978 3.960 3.152 1.00 0.00 N ATOM 1081 CA MET B 768 -4.025 4.418 2.103 1.00 0.00 C ATOM 1082 C MET B 768 -4.259 3.661 0.795 1.00 0.00 C ATOM 1083 O MET B 768 -4.701 2.529 0.789 1.00 0.00 O ATOM 1084 CB MET B 768 -2.641 4.091 2.668 1.00 0.00 C ATOM 1085 CG MET B 768 -1.562 4.617 1.715 1.00 0.00 C ATOM 1086 SD MET B 768 -0.541 5.847 2.565 1.00 0.00 S ATOM 1087 CE MET B 768 -1.788 7.156 2.648 1.00 0.00 C ATOM 0 H MET B 768 -4.944 2.963 3.364 1.00 0.00 H new ATOM 0 HA MET B 768 -4.141 5.478 1.875 1.00 0.00 H new ATOM 0 HB2 MET B 768 -2.523 4.543 3.653 1.00 0.00 H new ATOM 0 HB3 MET B 768 -2.534 3.014 2.796 1.00 0.00 H new ATOM 0 HG2 MET B 768 -0.940 3.793 1.365 1.00 0.00 H new ATOM 0 HG3 MET B 768 -2.026 5.062 0.835 1.00 0.00 H new ATOM 0 HE1 MET B 768 -1.324 8.079 2.997 1.00 0.00 H new ATOM 0 HE2 MET B 768 -2.214 7.316 1.658 1.00 0.00 H new ATOM 0 HE3 MET B 768 -2.578 6.863 3.340 1.00 0.00 H new ATOM 1097 N ASP B 769 -3.959 4.279 -0.314 1.00 0.00 N ATOM 1098 CA ASP B 769 -4.157 3.603 -1.626 1.00 0.00 C ATOM 1099 C ASP B 769 -3.305 4.280 -2.700 1.00 0.00 C ATOM 1100 O ASP B 769 -3.031 5.462 -2.634 1.00 0.00 O ATOM 1101 CB ASP B 769 -5.644 3.780 -1.938 1.00 0.00 C ATOM 1102 CG ASP B 769 -6.429 2.605 -1.352 1.00 0.00 C ATOM 1103 OD1 ASP B 769 -6.055 1.475 -1.620 1.00 0.00 O ATOM 1104 OD2 ASP B 769 -7.390 2.856 -0.643 1.00 0.00 O ATOM 0 H ASP B 769 -3.584 5.226 -0.368 1.00 0.00 H new ATOM 0 HA ASP B 769 -3.865 2.553 -1.600 1.00 0.00 H new ATOM 0 HB2 ASP B 769 -6.006 4.719 -1.519 1.00 0.00 H new ATOM 0 HB3 ASP B 769 -5.797 3.833 -3.016 1.00 0.00 H new ATOM 1109 N LEU B 770 -2.886 3.543 -3.694 1.00 0.00 N ATOM 1110 CA LEU B 770 -2.055 4.148 -4.774 1.00 0.00 C ATOM 1111 C LEU B 770 -2.716 5.423 -5.305 1.00 0.00 C ATOM 1112 O LEU B 770 -2.051 6.349 -5.726 1.00 0.00 O ATOM 1113 CB LEU B 770 -1.992 3.084 -5.873 1.00 0.00 C ATOM 1114 CG LEU B 770 -1.289 1.821 -5.354 1.00 0.00 C ATOM 1115 CD1 LEU B 770 -1.077 0.851 -6.518 1.00 0.00 C ATOM 1116 CD2 LEU B 770 0.070 2.185 -4.744 1.00 0.00 C ATOM 0 H LEU B 770 -3.083 2.548 -3.804 1.00 0.00 H new ATOM 0 HA LEU B 770 -1.064 4.428 -4.418 1.00 0.00 H new ATOM 0 HB2 LEU B 770 -3.000 2.836 -6.207 1.00 0.00 H new ATOM 0 HB3 LEU B 770 -1.457 3.476 -6.738 1.00 0.00 H new ATOM 0 HG LEU B 770 -1.909 1.356 -4.588 1.00 0.00 H new ATOM 0 HD11 LEU B 770 -0.578 -0.048 -6.156 1.00 0.00 H new ATOM 0 HD12 LEU B 770 -2.042 0.582 -6.948 1.00 0.00 H new ATOM 0 HD13 LEU B 770 -0.460 1.327 -7.280 1.00 0.00 H new ATOM 0 HD21 LEU B 770 0.559 1.282 -4.380 1.00 0.00 H new ATOM 0 HD22 LEU B 770 0.695 2.655 -5.503 1.00 0.00 H new ATOM 0 HD23 LEU B 770 -0.077 2.878 -3.915 1.00 0.00 H new ATOM 1128 N LYS B 771 -4.024 5.482 -5.263 1.00 0.00 N ATOM 1129 CA LYS B 771 -4.754 6.700 -5.733 1.00 0.00 C ATOM 1130 C LYS B 771 -4.085 7.966 -5.165 1.00 0.00 C ATOM 1131 O LYS B 771 -3.881 8.942 -5.859 1.00 0.00 O ATOM 1132 CB LYS B 771 -6.200 6.478 -5.201 1.00 0.00 C ATOM 1133 CG LYS B 771 -6.805 7.736 -4.544 1.00 0.00 C ATOM 1134 CD LYS B 771 -7.200 8.744 -5.623 1.00 0.00 C ATOM 1135 CE LYS B 771 -6.662 10.126 -5.248 1.00 0.00 C ATOM 1136 NZ LYS B 771 -7.050 11.009 -6.383 1.00 0.00 N ATOM 0 H LYS B 771 -4.623 4.731 -4.920 1.00 0.00 H new ATOM 0 HA LYS B 771 -4.747 6.842 -6.814 1.00 0.00 H new ATOM 0 HB2 LYS B 771 -6.839 6.163 -6.026 1.00 0.00 H new ATOM 0 HB3 LYS B 771 -6.193 5.665 -4.475 1.00 0.00 H new ATOM 0 HG2 LYS B 771 -7.678 7.464 -3.951 1.00 0.00 H new ATOM 0 HG3 LYS B 771 -6.083 8.184 -3.861 1.00 0.00 H new ATOM 0 HD2 LYS B 771 -6.800 8.435 -6.589 1.00 0.00 H new ATOM 0 HD3 LYS B 771 -8.285 8.779 -5.724 1.00 0.00 H new ATOM 0 HE2 LYS B 771 -7.092 10.476 -4.310 1.00 0.00 H new ATOM 0 HE3 LYS B 771 -5.580 10.106 -5.115 1.00 0.00 H new ATOM 0 HZ1 LYS B 771 -6.716 11.977 -6.200 1.00 0.00 H new ATOM 0 HZ2 LYS B 771 -6.620 10.654 -7.261 1.00 0.00 H new ATOM 0 HZ3 LYS B 771 -8.085 11.013 -6.481 1.00 0.00 H new ATOM 1150 N THR B 772 -3.739 7.941 -3.908 1.00 0.00 N ATOM 1151 CA THR B 772 -3.088 9.126 -3.285 1.00 0.00 C ATOM 1152 C THR B 772 -1.693 8.761 -2.773 1.00 0.00 C ATOM 1153 O THR B 772 -0.847 9.613 -2.594 1.00 0.00 O ATOM 1154 CB THR B 772 -4.002 9.503 -2.116 1.00 0.00 C ATOM 1155 OG1 THR B 772 -3.423 10.578 -1.390 1.00 0.00 O ATOM 1156 CG2 THR B 772 -4.171 8.297 -1.191 1.00 0.00 C ATOM 0 H THR B 772 -3.880 7.147 -3.283 1.00 0.00 H new ATOM 0 HA THR B 772 -2.960 9.946 -3.992 1.00 0.00 H new ATOM 0 HB THR B 772 -4.976 9.806 -2.500 1.00 0.00 H new ATOM 0 HG1 THR B 772 -4.008 10.821 -0.642 1.00 0.00 H new ATOM 0 HG21 THR B 772 -4.822 8.565 -0.359 1.00 0.00 H new ATOM 0 HG22 THR B 772 -4.615 7.471 -1.747 1.00 0.00 H new ATOM 0 HG23 THR B 772 -3.197 7.994 -0.807 1.00 0.00 H new ATOM 1164 N MET B 773 -1.443 7.502 -2.531 1.00 0.00 N ATOM 1165 CA MET B 773 -0.098 7.100 -2.035 1.00 0.00 C ATOM 1166 C MET B 773 0.974 7.468 -3.061 1.00 0.00 C ATOM 1167 O MET B 773 2.137 7.577 -2.744 1.00 0.00 O ATOM 1168 CB MET B 773 -0.169 5.583 -1.860 1.00 0.00 C ATOM 1169 CG MET B 773 0.877 5.147 -0.832 1.00 0.00 C ATOM 1170 SD MET B 773 1.015 3.344 -0.835 1.00 0.00 S ATOM 1171 CE MET B 773 2.607 3.247 -1.689 1.00 0.00 C ATOM 0 H MET B 773 -2.109 6.739 -2.655 1.00 0.00 H new ATOM 0 HA MET B 773 0.162 7.604 -1.104 1.00 0.00 H new ATOM 0 HB2 MET B 773 -1.165 5.289 -1.530 1.00 0.00 H new ATOM 0 HB3 MET B 773 0.011 5.086 -2.813 1.00 0.00 H new ATOM 0 HG2 MET B 773 1.842 5.596 -1.067 1.00 0.00 H new ATOM 0 HG3 MET B 773 0.595 5.499 0.160 1.00 0.00 H new ATOM 0 HE1 MET B 773 2.479 2.730 -2.640 1.00 0.00 H new ATOM 0 HE2 MET B 773 2.984 4.253 -1.871 1.00 0.00 H new ATOM 0 HE3 MET B 773 3.318 2.699 -1.071 1.00 0.00 H new ATOM 1181 N SER B 774 0.596 7.636 -4.297 1.00 0.00 N ATOM 1182 CA SER B 774 1.598 8.014 -5.331 1.00 0.00 C ATOM 1183 C SER B 774 1.865 9.519 -5.278 1.00 0.00 C ATOM 1184 O SER B 774 2.950 9.980 -5.572 1.00 0.00 O ATOM 1185 CB SER B 774 0.948 7.631 -6.661 1.00 0.00 C ATOM 1186 OG SER B 774 0.130 8.698 -7.122 1.00 0.00 O ATOM 0 H SER B 774 -0.360 7.528 -4.635 1.00 0.00 H new ATOM 0 HA SER B 774 2.557 7.516 -5.185 1.00 0.00 H new ATOM 0 HB2 SER B 774 1.717 7.404 -7.400 1.00 0.00 H new ATOM 0 HB3 SER B 774 0.349 6.729 -6.537 1.00 0.00 H new ATOM 0 HG SER B 774 -0.283 8.449 -7.975 1.00 0.00 H new ATOM 1192 N GLU B 775 0.877 10.286 -4.913 1.00 0.00 N ATOM 1193 CA GLU B 775 1.056 11.763 -4.857 1.00 0.00 C ATOM 1194 C GLU B 775 2.293 12.129 -4.035 1.00 0.00 C ATOM 1195 O GLU B 775 2.940 13.127 -4.286 1.00 0.00 O ATOM 1196 CB GLU B 775 -0.210 12.282 -4.180 1.00 0.00 C ATOM 1197 CG GLU B 775 -1.312 12.392 -5.212 1.00 0.00 C ATOM 1198 CD GLU B 775 -2.306 13.480 -4.799 1.00 0.00 C ATOM 1199 OE1 GLU B 775 -2.934 13.320 -3.766 1.00 0.00 O ATOM 1200 OE2 GLU B 775 -2.424 14.453 -5.525 1.00 0.00 O ATOM 0 H GLU B 775 -0.050 9.952 -4.650 1.00 0.00 H new ATOM 0 HA GLU B 775 1.204 12.196 -5.846 1.00 0.00 H new ATOM 0 HB2 GLU B 775 -0.511 11.608 -3.378 1.00 0.00 H new ATOM 0 HB3 GLU B 775 -0.022 13.255 -3.725 1.00 0.00 H new ATOM 0 HG2 GLU B 775 -0.886 12.627 -6.187 1.00 0.00 H new ATOM 0 HG3 GLU B 775 -1.826 11.436 -5.311 1.00 0.00 H new ATOM 1207 N ARG B 776 2.611 11.354 -3.034 1.00 0.00 N ATOM 1208 CA ARG B 776 3.809 11.677 -2.205 1.00 0.00 C ATOM 1209 C ARG B 776 5.086 11.192 -2.899 1.00 0.00 C ATOM 1210 O ARG B 776 6.144 11.769 -2.744 1.00 0.00 O ATOM 1211 CB ARG B 776 3.597 10.954 -0.869 1.00 0.00 C ATOM 1212 CG ARG B 776 3.657 9.440 -1.075 1.00 0.00 C ATOM 1213 CD ARG B 776 2.676 8.750 -0.125 1.00 0.00 C ATOM 1214 NE ARG B 776 3.504 7.761 0.628 1.00 0.00 N ATOM 1215 CZ ARG B 776 4.050 6.732 0.020 1.00 0.00 C ATOM 1216 NH1 ARG B 776 3.889 6.540 -1.265 1.00 0.00 N ATOM 1217 NH2 ARG B 776 4.768 5.889 0.705 1.00 0.00 N ATOM 0 H ARG B 776 2.098 10.517 -2.755 1.00 0.00 H new ATOM 0 HA ARG B 776 3.924 12.751 -2.058 1.00 0.00 H new ATOM 0 HB2 ARG B 776 4.361 11.262 -0.155 1.00 0.00 H new ATOM 0 HB3 ARG B 776 2.633 11.233 -0.445 1.00 0.00 H new ATOM 0 HG2 ARG B 776 3.411 9.194 -2.108 1.00 0.00 H new ATOM 0 HG3 ARG B 776 4.669 9.079 -0.893 1.00 0.00 H new ATOM 0 HD2 ARG B 776 2.207 9.467 0.549 1.00 0.00 H new ATOM 0 HD3 ARG B 776 1.874 8.257 -0.674 1.00 0.00 H new ATOM 0 HE ARG B 776 3.648 7.886 1.630 1.00 0.00 H new ATOM 0 HH11 ARG B 776 3.331 7.195 -1.813 1.00 0.00 H new ATOM 0 HH12 ARG B 776 4.321 5.735 -1.718 1.00 0.00 H new ATOM 0 HH21 ARG B 776 4.903 6.030 1.706 1.00 0.00 H new ATOM 0 HH22 ARG B 776 5.195 5.088 0.240 1.00 0.00 H new ATOM 1231 N LEU B 777 4.999 10.132 -3.659 1.00 0.00 N ATOM 1232 CA LEU B 777 6.204 9.637 -4.379 1.00 0.00 C ATOM 1233 C LEU B 777 6.560 10.621 -5.491 1.00 0.00 C ATOM 1234 O LEU B 777 7.705 10.763 -5.869 1.00 0.00 O ATOM 1235 CB LEU B 777 5.786 8.275 -4.949 1.00 0.00 C ATOM 1236 CG LEU B 777 7.019 7.400 -5.233 1.00 0.00 C ATOM 1237 CD1 LEU B 777 7.838 8.010 -6.375 1.00 0.00 C ATOM 1238 CD2 LEU B 777 7.887 7.293 -3.976 1.00 0.00 C ATOM 0 H LEU B 777 4.148 9.591 -3.811 1.00 0.00 H new ATOM 0 HA LEU B 777 7.083 9.544 -3.741 1.00 0.00 H new ATOM 0 HB2 LEU B 777 5.129 7.767 -4.244 1.00 0.00 H new ATOM 0 HB3 LEU B 777 5.217 8.419 -5.868 1.00 0.00 H new ATOM 0 HG LEU B 777 6.686 6.403 -5.522 1.00 0.00 H new ATOM 0 HD11 LEU B 777 8.710 7.386 -6.571 1.00 0.00 H new ATOM 0 HD12 LEU B 777 7.223 8.068 -7.273 1.00 0.00 H new ATOM 0 HD13 LEU B 777 8.165 9.011 -6.094 1.00 0.00 H new ATOM 0 HD21 LEU B 777 8.757 6.672 -4.187 1.00 0.00 H new ATOM 0 HD22 LEU B 777 8.216 8.288 -3.675 1.00 0.00 H new ATOM 0 HD23 LEU B 777 7.307 6.843 -3.170 1.00 0.00 H new ATOM 1250 N LYS B 778 5.586 11.343 -5.979 1.00 0.00 N ATOM 1251 CA LYS B 778 5.871 12.376 -7.009 1.00 0.00 C ATOM 1252 C LYS B 778 6.625 13.534 -6.353 1.00 0.00 C ATOM 1253 O LYS B 778 7.411 14.217 -6.978 1.00 0.00 O ATOM 1254 CB LYS B 778 4.493 12.831 -7.502 1.00 0.00 C ATOM 1255 CG LYS B 778 4.649 14.033 -8.436 1.00 0.00 C ATOM 1256 CD LYS B 778 3.372 14.207 -9.261 1.00 0.00 C ATOM 1257 CE LYS B 778 2.380 15.074 -8.485 1.00 0.00 C ATOM 1258 NZ LYS B 778 2.243 16.315 -9.298 1.00 0.00 N ATOM 0 H LYS B 778 4.607 11.260 -5.707 1.00 0.00 H new ATOM 0 HA LYS B 778 6.485 12.007 -7.831 1.00 0.00 H new ATOM 0 HB2 LYS B 778 3.996 12.014 -8.025 1.00 0.00 H new ATOM 0 HB3 LYS B 778 3.862 13.097 -6.654 1.00 0.00 H new ATOM 0 HG2 LYS B 778 4.846 14.935 -7.856 1.00 0.00 H new ATOM 0 HG3 LYS B 778 5.504 13.886 -9.096 1.00 0.00 H new ATOM 0 HD2 LYS B 778 3.605 14.671 -10.219 1.00 0.00 H new ATOM 0 HD3 LYS B 778 2.930 13.234 -9.477 1.00 0.00 H new ATOM 0 HE2 LYS B 778 1.421 14.570 -8.368 1.00 0.00 H new ATOM 0 HE3 LYS B 778 2.748 15.296 -7.483 1.00 0.00 H new ATOM 0 HZ1 LYS B 778 1.577 16.964 -8.832 1.00 0.00 H new ATOM 0 HZ2 LYS B 778 3.171 16.776 -9.387 1.00 0.00 H new ATOM 0 HZ3 LYS B 778 1.885 16.073 -10.244 1.00 0.00 H new ATOM 1272 N ASN B 779 6.403 13.737 -5.081 1.00 0.00 N ATOM 1273 CA ASN B 779 7.126 14.815 -4.352 1.00 0.00 C ATOM 1274 C ASN B 779 8.064 14.194 -3.314 1.00 0.00 C ATOM 1275 O ASN B 779 8.392 14.807 -2.321 1.00 0.00 O ATOM 1276 CB ASN B 779 6.030 15.622 -3.654 1.00 0.00 C ATOM 1277 CG ASN B 779 5.010 16.104 -4.688 1.00 0.00 C ATOM 1278 OD1 ASN B 779 5.336 16.882 -5.563 1.00 0.00 O ATOM 1279 ND2 ASN B 779 3.780 15.673 -4.624 1.00 0.00 N ATOM 0 H ASN B 779 5.748 13.198 -4.515 1.00 0.00 H new ATOM 0 HA ASN B 779 7.731 15.434 -5.014 1.00 0.00 H new ATOM 0 HB2 ASN B 779 5.537 15.008 -2.900 1.00 0.00 H new ATOM 0 HB3 ASN B 779 6.467 16.475 -3.135 1.00 0.00 H new ATOM 0 HD21 ASN B 779 3.093 15.989 -5.308 1.00 0.00 H new ATOM 0 HD22 ASN B 779 3.506 15.020 -3.890 1.00 0.00 H new ATOM 1286 N ARG B 780 8.449 12.960 -3.526 1.00 0.00 N ATOM 1287 CA ARG B 780 9.350 12.246 -2.569 1.00 0.00 C ATOM 1288 C ARG B 780 8.961 12.500 -1.110 1.00 0.00 C ATOM 1289 O ARG B 780 9.787 12.399 -0.224 1.00 0.00 O ATOM 1290 CB ARG B 780 10.770 12.760 -2.875 1.00 0.00 C ATOM 1291 CG ARG B 780 11.093 14.055 -2.109 1.00 0.00 C ATOM 1292 CD ARG B 780 12.343 13.845 -1.260 1.00 0.00 C ATOM 1293 NE ARG B 780 12.924 15.210 -1.088 1.00 0.00 N ATOM 1294 CZ ARG B 780 14.180 15.369 -0.739 1.00 0.00 C ATOM 1295 NH1 ARG B 780 14.961 14.337 -0.534 1.00 0.00 N ATOM 1296 NH2 ARG B 780 14.659 16.575 -0.596 1.00 0.00 N ATOM 0 H ARG B 780 8.172 12.407 -4.337 1.00 0.00 H new ATOM 0 HA ARG B 780 9.278 11.166 -2.696 1.00 0.00 H new ATOM 0 HB2 ARG B 780 11.498 11.992 -2.612 1.00 0.00 H new ATOM 0 HB3 ARG B 780 10.868 12.938 -3.946 1.00 0.00 H new ATOM 0 HG2 ARG B 780 11.250 14.875 -2.810 1.00 0.00 H new ATOM 0 HG3 ARG B 780 10.252 14.334 -1.474 1.00 0.00 H new ATOM 0 HD2 ARG B 780 12.096 13.396 -0.298 1.00 0.00 H new ATOM 0 HD3 ARG B 780 13.047 13.175 -1.753 1.00 0.00 H new ATOM 0 HE ARG B 780 12.337 16.030 -1.244 1.00 0.00 H new ATOM 0 HH11 ARG B 780 14.596 13.391 -0.645 1.00 0.00 H new ATOM 0 HH12 ARG B 780 15.934 14.480 -0.263 1.00 0.00 H new ATOM 0 HH21 ARG B 780 14.059 17.384 -0.755 1.00 0.00 H new ATOM 0 HH22 ARG B 780 15.633 16.708 -0.325 1.00 0.00 H new ATOM 1310 N TYR B 781 7.729 12.830 -0.842 1.00 0.00 N ATOM 1311 CA TYR B 781 7.334 13.038 0.576 1.00 0.00 C ATOM 1312 C TYR B 781 7.556 11.741 1.365 1.00 0.00 C ATOM 1313 O TYR B 781 7.528 11.730 2.579 1.00 0.00 O ATOM 1314 CB TYR B 781 5.849 13.404 0.531 1.00 0.00 C ATOM 1315 CG TYR B 781 5.671 14.829 0.998 1.00 0.00 C ATOM 1316 CD1 TYR B 781 6.241 15.881 0.271 1.00 0.00 C ATOM 1317 CD2 TYR B 781 4.939 15.098 2.161 1.00 0.00 C ATOM 1318 CE1 TYR B 781 6.078 17.202 0.705 1.00 0.00 C ATOM 1319 CE2 TYR B 781 4.776 16.419 2.596 1.00 0.00 C ATOM 1320 CZ TYR B 781 5.345 17.471 1.867 1.00 0.00 C ATOM 1321 OH TYR B 781 5.185 18.773 2.296 1.00 0.00 O ATOM 0 H TYR B 781 6.990 12.963 -1.532 1.00 0.00 H new ATOM 0 HA TYR B 781 7.919 13.817 1.066 1.00 0.00 H new ATOM 0 HB2 TYR B 781 5.466 13.291 -0.483 1.00 0.00 H new ATOM 0 HB3 TYR B 781 5.277 12.727 1.165 1.00 0.00 H new ATOM 0 HD1 TYR B 781 6.807 15.673 -0.625 1.00 0.00 H new ATOM 0 HD2 TYR B 781 4.500 14.287 2.723 1.00 0.00 H new ATOM 0 HE1 TYR B 781 6.518 18.013 0.144 1.00 0.00 H new ATOM 0 HE2 TYR B 781 4.212 16.627 3.493 1.00 0.00 H new ATOM 0 HH TYR B 781 4.649 18.784 3.117 1.00 0.00 H new ATOM 1331 N TYR B 782 7.796 10.650 0.679 1.00 0.00 N ATOM 1332 CA TYR B 782 8.051 9.359 1.380 1.00 0.00 C ATOM 1333 C TYR B 782 9.252 8.667 0.737 1.00 0.00 C ATOM 1334 O TYR B 782 9.116 7.937 -0.222 1.00 0.00 O ATOM 1335 CB TYR B 782 6.779 8.536 1.163 1.00 0.00 C ATOM 1336 CG TYR B 782 5.772 8.864 2.241 1.00 0.00 C ATOM 1337 CD1 TYR B 782 5.105 10.095 2.226 1.00 0.00 C ATOM 1338 CD2 TYR B 782 5.497 7.933 3.248 1.00 0.00 C ATOM 1339 CE1 TYR B 782 4.169 10.397 3.221 1.00 0.00 C ATOM 1340 CE2 TYR B 782 4.560 8.234 4.244 1.00 0.00 C ATOM 1341 CZ TYR B 782 3.896 9.467 4.231 1.00 0.00 C ATOM 1342 OH TYR B 782 2.973 9.764 5.212 1.00 0.00 O ATOM 0 H TYR B 782 7.826 10.601 -0.339 1.00 0.00 H new ATOM 0 HA TYR B 782 8.273 9.487 2.440 1.00 0.00 H new ATOM 0 HB2 TYR B 782 6.358 8.751 0.181 1.00 0.00 H new ATOM 0 HB3 TYR B 782 7.015 7.472 1.183 1.00 0.00 H new ATOM 0 HD1 TYR B 782 5.313 10.812 1.446 1.00 0.00 H new ATOM 0 HD2 TYR B 782 6.008 6.981 3.257 1.00 0.00 H new ATOM 0 HE1 TYR B 782 3.657 11.348 3.210 1.00 0.00 H new ATOM 0 HE2 TYR B 782 4.349 7.515 5.022 1.00 0.00 H new ATOM 0 HH TYR B 782 2.903 9.010 5.834 1.00 0.00 H new ATOM 1352 N VAL B 783 10.433 8.923 1.232 1.00 0.00 N ATOM 1353 CA VAL B 783 11.643 8.320 0.608 1.00 0.00 C ATOM 1354 C VAL B 783 12.388 7.418 1.596 1.00 0.00 C ATOM 1355 O VAL B 783 13.547 7.632 1.891 1.00 0.00 O ATOM 1356 CB VAL B 783 12.514 9.519 0.227 1.00 0.00 C ATOM 1357 CG1 VAL B 783 13.831 9.023 -0.367 1.00 0.00 C ATOM 1358 CG2 VAL B 783 11.781 10.375 -0.806 1.00 0.00 C ATOM 0 H VAL B 783 10.611 9.522 2.039 1.00 0.00 H new ATOM 0 HA VAL B 783 11.388 7.692 -0.246 1.00 0.00 H new ATOM 0 HB VAL B 783 12.717 10.117 1.116 1.00 0.00 H new ATOM 0 HG11 VAL B 783 14.452 9.877 -0.639 1.00 0.00 H new ATOM 0 HG12 VAL B 783 14.355 8.413 0.369 1.00 0.00 H new ATOM 0 HG13 VAL B 783 13.627 8.425 -1.255 1.00 0.00 H new ATOM 0 HG21 VAL B 783 12.402 11.229 -1.077 1.00 0.00 H new ATOM 0 HG22 VAL B 783 11.577 9.778 -1.695 1.00 0.00 H new ATOM 0 HG23 VAL B 783 10.841 10.729 -0.384 1.00 0.00 H new ATOM 1368 N SER B 784 11.747 6.397 2.094 1.00 0.00 N ATOM 1369 CA SER B 784 12.446 5.468 3.028 1.00 0.00 C ATOM 1370 C SER B 784 11.533 4.301 3.409 1.00 0.00 C ATOM 1371 O SER B 784 10.324 4.398 3.350 1.00 0.00 O ATOM 1372 CB SER B 784 12.796 6.311 4.260 1.00 0.00 C ATOM 1373 OG SER B 784 11.755 6.220 5.224 1.00 0.00 O ATOM 0 H SER B 784 10.773 6.166 1.896 1.00 0.00 H new ATOM 0 HA SER B 784 13.336 5.032 2.575 1.00 0.00 H new ATOM 0 HB2 SER B 784 13.735 5.965 4.693 1.00 0.00 H new ATOM 0 HB3 SER B 784 12.943 7.351 3.969 1.00 0.00 H new ATOM 0 HG SER B 784 12.119 6.398 6.116 1.00 0.00 H new ATOM 1379 N LYS B 785 12.109 3.202 3.809 1.00 0.00 N ATOM 1380 CA LYS B 785 11.281 2.013 4.171 1.00 0.00 C ATOM 1381 C LYS B 785 10.160 2.389 5.154 1.00 0.00 C ATOM 1382 O LYS B 785 9.004 2.427 4.782 1.00 0.00 O ATOM 1383 CB LYS B 785 12.239 0.968 4.792 1.00 0.00 C ATOM 1384 CG LYS B 785 13.313 1.622 5.680 1.00 0.00 C ATOM 1385 CD LYS B 785 13.238 1.036 7.092 1.00 0.00 C ATOM 1386 CE LYS B 785 13.814 2.042 8.092 1.00 0.00 C ATOM 1387 NZ LYS B 785 14.220 1.222 9.268 1.00 0.00 N ATOM 0 H LYS B 785 13.117 3.074 3.902 1.00 0.00 H new ATOM 0 HA LYS B 785 10.789 1.608 3.287 1.00 0.00 H new ATOM 0 HB2 LYS B 785 11.664 0.256 5.384 1.00 0.00 H new ATOM 0 HB3 LYS B 785 12.723 0.402 3.996 1.00 0.00 H new ATOM 0 HG2 LYS B 785 14.303 1.451 5.257 1.00 0.00 H new ATOM 0 HG3 LYS B 785 13.163 2.701 5.715 1.00 0.00 H new ATOM 0 HD2 LYS B 785 12.204 0.805 7.347 1.00 0.00 H new ATOM 0 HD3 LYS B 785 13.795 0.100 7.139 1.00 0.00 H new ATOM 0 HE2 LYS B 785 14.665 2.576 7.670 1.00 0.00 H new ATOM 0 HE3 LYS B 785 13.073 2.792 8.370 1.00 0.00 H new ATOM 0 HZ1 LYS B 785 14.625 1.841 9.999 1.00 0.00 H new ATOM 0 HZ2 LYS B 785 13.388 0.731 9.652 1.00 0.00 H new ATOM 0 HZ3 LYS B 785 14.931 0.522 8.974 1.00 0.00 H new ATOM 1401 N LYS B 786 10.483 2.661 6.398 1.00 0.00 N ATOM 1402 CA LYS B 786 9.432 3.005 7.409 1.00 0.00 C ATOM 1403 C LYS B 786 8.381 3.953 6.824 1.00 0.00 C ATOM 1404 O LYS B 786 7.241 3.958 7.234 1.00 0.00 O ATOM 1405 CB LYS B 786 10.194 3.696 8.542 1.00 0.00 C ATOM 1406 CG LYS B 786 9.225 4.037 9.677 1.00 0.00 C ATOM 1407 CD LYS B 786 8.614 2.748 10.233 1.00 0.00 C ATOM 1408 CE LYS B 786 7.773 3.075 11.469 1.00 0.00 C ATOM 1409 NZ LYS B 786 7.858 1.857 12.324 1.00 0.00 N ATOM 0 H LYS B 786 11.437 2.659 6.758 1.00 0.00 H new ATOM 0 HA LYS B 786 8.891 2.119 7.742 1.00 0.00 H new ATOM 0 HB2 LYS B 786 10.987 3.046 8.910 1.00 0.00 H new ATOM 0 HB3 LYS B 786 10.672 4.604 8.173 1.00 0.00 H new ATOM 0 HG2 LYS B 786 9.749 4.574 10.468 1.00 0.00 H new ATOM 0 HG3 LYS B 786 8.438 4.697 9.311 1.00 0.00 H new ATOM 0 HD2 LYS B 786 7.994 2.270 9.474 1.00 0.00 H new ATOM 0 HD3 LYS B 786 9.402 2.042 10.493 1.00 0.00 H new ATOM 0 HE2 LYS B 786 8.160 3.951 11.990 1.00 0.00 H new ATOM 0 HE3 LYS B 786 6.741 3.296 11.197 1.00 0.00 H new ATOM 0 HZ1 LYS B 786 7.305 2.003 13.193 1.00 0.00 H new ATOM 0 HZ2 LYS B 786 7.477 1.041 11.804 1.00 0.00 H new ATOM 0 HZ3 LYS B 786 8.852 1.676 12.572 1.00 0.00 H new ATOM 1423 N LEU B 787 8.765 4.771 5.887 1.00 0.00 N ATOM 1424 CA LEU B 787 7.780 5.688 5.252 1.00 0.00 C ATOM 1425 C LEU B 787 6.999 4.963 4.154 1.00 0.00 C ATOM 1426 O LEU B 787 5.788 4.872 4.196 1.00 0.00 O ATOM 1427 CB LEU B 787 8.621 6.813 4.661 1.00 0.00 C ATOM 1428 CG LEU B 787 8.935 7.821 5.765 1.00 0.00 C ATOM 1429 CD1 LEU B 787 10.227 8.560 5.428 1.00 0.00 C ATOM 1430 CD2 LEU B 787 7.782 8.820 5.883 1.00 0.00 C ATOM 0 H LEU B 787 9.719 4.845 5.533 1.00 0.00 H new ATOM 0 HA LEU B 787 7.042 6.057 5.964 1.00 0.00 H new ATOM 0 HB2 LEU B 787 9.544 6.414 4.240 1.00 0.00 H new ATOM 0 HB3 LEU B 787 8.083 7.299 3.847 1.00 0.00 H new ATOM 0 HG LEU B 787 9.058 7.298 6.714 1.00 0.00 H new ATOM 0 HD11 LEU B 787 10.451 9.279 6.216 1.00 0.00 H new ATOM 0 HD12 LEU B 787 11.045 7.844 5.347 1.00 0.00 H new ATOM 0 HD13 LEU B 787 10.109 9.085 4.480 1.00 0.00 H new ATOM 0 HD21 LEU B 787 8.004 9.540 6.670 1.00 0.00 H new ATOM 0 HD22 LEU B 787 7.657 9.345 4.936 1.00 0.00 H new ATOM 0 HD23 LEU B 787 6.863 8.288 6.127 1.00 0.00 H new ATOM 1442 N PHE B 788 7.684 4.464 3.162 1.00 0.00 N ATOM 1443 CA PHE B 788 6.984 3.780 2.037 1.00 0.00 C ATOM 1444 C PHE B 788 6.608 2.348 2.409 1.00 0.00 C ATOM 1445 O PHE B 788 5.456 1.968 2.348 1.00 0.00 O ATOM 1446 CB PHE B 788 7.999 3.778 0.901 1.00 0.00 C ATOM 1447 CG PHE B 788 7.383 3.143 -0.322 1.00 0.00 C ATOM 1448 CD1 PHE B 788 7.425 1.753 -0.485 1.00 0.00 C ATOM 1449 CD2 PHE B 788 6.766 3.944 -1.289 1.00 0.00 C ATOM 1450 CE1 PHE B 788 6.857 1.165 -1.620 1.00 0.00 C ATOM 1451 CE2 PHE B 788 6.194 3.355 -2.423 1.00 0.00 C ATOM 1452 CZ PHE B 788 6.239 1.965 -2.588 1.00 0.00 C ATOM 0 H PHE B 788 8.700 4.500 3.081 1.00 0.00 H new ATOM 0 HA PHE B 788 6.054 4.283 1.773 1.00 0.00 H new ATOM 0 HB2 PHE B 788 8.311 4.798 0.676 1.00 0.00 H new ATOM 0 HB3 PHE B 788 8.893 3.229 1.198 1.00 0.00 H new ATOM 0 HD1 PHE B 788 7.896 1.135 0.265 1.00 0.00 H new ATOM 0 HD2 PHE B 788 6.731 5.016 -1.161 1.00 0.00 H new ATOM 0 HE1 PHE B 788 6.895 0.093 -1.749 1.00 0.00 H new ATOM 0 HE2 PHE B 788 5.718 3.972 -3.170 1.00 0.00 H new ATOM 0 HZ PHE B 788 5.797 1.510 -3.462 1.00 0.00 H new ATOM 1462 N MET B 789 7.565 1.543 2.796 1.00 0.00 N ATOM 1463 CA MET B 789 7.240 0.136 3.177 1.00 0.00 C ATOM 1464 C MET B 789 6.083 0.126 4.183 1.00 0.00 C ATOM 1465 O MET B 789 5.336 -0.826 4.274 1.00 0.00 O ATOM 1466 CB MET B 789 8.524 -0.420 3.801 1.00 0.00 C ATOM 1467 CG MET B 789 9.548 -0.691 2.693 1.00 0.00 C ATOM 1468 SD MET B 789 9.790 -2.473 2.501 1.00 0.00 S ATOM 1469 CE MET B 789 8.062 -2.946 2.231 1.00 0.00 C ATOM 0 H MET B 789 8.550 1.797 2.864 1.00 0.00 H new ATOM 0 HA MET B 789 6.923 -0.467 2.326 1.00 0.00 H new ATOM 0 HB2 MET B 789 8.930 0.291 4.521 1.00 0.00 H new ATOM 0 HB3 MET B 789 8.309 -1.339 4.346 1.00 0.00 H new ATOM 0 HG2 MET B 789 9.203 -0.259 1.754 1.00 0.00 H new ATOM 0 HG3 MET B 789 10.496 -0.211 2.936 1.00 0.00 H new ATOM 0 HE1 MET B 789 7.998 -4.025 2.089 1.00 0.00 H new ATOM 0 HE2 MET B 789 7.466 -2.658 3.097 1.00 0.00 H new ATOM 0 HE3 MET B 789 7.681 -2.440 1.344 1.00 0.00 H new ATOM 1479 N ALA B 790 5.890 1.213 4.883 1.00 0.00 N ATOM 1480 CA ALA B 790 4.750 1.302 5.836 1.00 0.00 C ATOM 1481 C ALA B 790 3.452 1.583 5.074 1.00 0.00 C ATOM 1482 O ALA B 790 2.502 0.829 5.141 1.00 0.00 O ATOM 1483 CB ALA B 790 5.090 2.488 6.740 1.00 0.00 C ATOM 0 H ALA B 790 6.477 2.046 4.834 1.00 0.00 H new ATOM 0 HA ALA B 790 4.606 0.379 6.397 1.00 0.00 H new ATOM 0 HB1 ALA B 790 4.297 2.624 7.475 1.00 0.00 H new ATOM 0 HB2 ALA B 790 6.032 2.296 7.253 1.00 0.00 H new ATOM 0 HB3 ALA B 790 5.184 3.391 6.136 1.00 0.00 H new ATOM 1489 N ASP B 791 3.409 2.671 4.350 1.00 0.00 N ATOM 1490 CA ASP B 791 2.177 3.016 3.583 1.00 0.00 C ATOM 1491 C ASP B 791 1.792 1.872 2.644 1.00 0.00 C ATOM 1492 O ASP B 791 0.649 1.467 2.581 1.00 0.00 O ATOM 1493 CB ASP B 791 2.554 4.260 2.776 1.00 0.00 C ATOM 1494 CG ASP B 791 2.517 5.489 3.686 1.00 0.00 C ATOM 1495 OD1 ASP B 791 2.848 5.348 4.852 1.00 0.00 O ATOM 1496 OD2 ASP B 791 2.159 6.550 3.202 1.00 0.00 O ATOM 0 H ASP B 791 4.176 3.337 4.257 1.00 0.00 H new ATOM 0 HA ASP B 791 1.322 3.189 4.237 1.00 0.00 H new ATOM 0 HB2 ASP B 791 3.549 4.141 2.348 1.00 0.00 H new ATOM 0 HB3 ASP B 791 1.863 4.390 1.943 1.00 0.00 H new ATOM 1501 N LEU B 792 2.732 1.356 1.902 1.00 0.00 N ATOM 1502 CA LEU B 792 2.410 0.237 0.976 1.00 0.00 C ATOM 1503 C LEU B 792 1.975 -0.989 1.780 1.00 0.00 C ATOM 1504 O LEU B 792 0.907 -1.534 1.570 1.00 0.00 O ATOM 1505 CB LEU B 792 3.713 -0.035 0.218 1.00 0.00 C ATOM 1506 CG LEU B 792 3.432 -0.879 -1.032 1.00 0.00 C ATOM 1507 CD1 LEU B 792 2.347 -0.219 -1.888 1.00 0.00 C ATOM 1508 CD2 LEU B 792 4.715 -0.994 -1.855 1.00 0.00 C ATOM 0 H LEU B 792 3.706 1.660 1.897 1.00 0.00 H new ATOM 0 HA LEU B 792 1.593 0.474 0.294 1.00 0.00 H new ATOM 0 HB2 LEU B 792 4.180 0.908 -0.068 1.00 0.00 H new ATOM 0 HB3 LEU B 792 4.418 -0.556 0.866 1.00 0.00 H new ATOM 0 HG LEU B 792 3.090 -1.867 -0.724 1.00 0.00 H new ATOM 0 HD11 LEU B 792 2.159 -0.830 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU B 792 1.429 -0.129 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU B 792 2.680 0.772 -2.196 1.00 0.00 H new ATOM 0 HD21 LEU B 792 4.524 -1.593 -2.746 1.00 0.00 H new ATOM 0 HD22 LEU B 792 5.048 0.001 -2.151 1.00 0.00 H new ATOM 0 HD23 LEU B 792 5.490 -1.472 -1.256 1.00 0.00 H new ATOM 1520 N GLN B 793 2.769 -1.404 2.733 1.00 0.00 N ATOM 1521 CA GLN B 793 2.357 -2.555 3.583 1.00 0.00 C ATOM 1522 C GLN B 793 1.009 -2.240 4.224 1.00 0.00 C ATOM 1523 O GLN B 793 0.138 -3.076 4.310 1.00 0.00 O ATOM 1524 CB GLN B 793 3.442 -2.678 4.657 1.00 0.00 C ATOM 1525 CG GLN B 793 3.035 -3.742 5.676 1.00 0.00 C ATOM 1526 CD GLN B 793 4.025 -3.744 6.840 1.00 0.00 C ATOM 1527 OE1 GLN B 793 5.151 -3.308 6.698 1.00 0.00 O ATOM 1528 NE2 GLN B 793 3.650 -4.221 7.994 1.00 0.00 N ATOM 0 H GLN B 793 3.678 -0.998 2.957 1.00 0.00 H new ATOM 0 HA GLN B 793 2.253 -3.480 3.016 1.00 0.00 H new ATOM 0 HB2 GLN B 793 4.394 -2.945 4.198 1.00 0.00 H new ATOM 0 HB3 GLN B 793 3.586 -1.719 5.155 1.00 0.00 H new ATOM 0 HG2 GLN B 793 2.028 -3.542 6.042 1.00 0.00 H new ATOM 0 HG3 GLN B 793 3.013 -4.724 5.203 1.00 0.00 H new ATOM 0 HE21 GLN B 793 2.705 -4.587 8.112 1.00 0.00 H new ATOM 0 HE22 GLN B 793 4.302 -4.229 8.779 1.00 0.00 H new ATOM 1537 N ARG B 794 0.828 -1.022 4.651 1.00 0.00 N ATOM 1538 CA ARG B 794 -0.469 -0.631 5.258 1.00 0.00 C ATOM 1539 C ARG B 794 -1.610 -0.938 4.286 1.00 0.00 C ATOM 1540 O ARG B 794 -2.568 -1.599 4.628 1.00 0.00 O ATOM 1541 CB ARG B 794 -0.349 0.877 5.484 1.00 0.00 C ATOM 1542 CG ARG B 794 0.265 1.144 6.859 1.00 0.00 C ATOM 1543 CD ARG B 794 -0.679 0.633 7.947 1.00 0.00 C ATOM 1544 NE ARG B 794 -0.090 -0.667 8.384 1.00 0.00 N ATOM 1545 CZ ARG B 794 -0.487 -1.249 9.492 1.00 0.00 C ATOM 1546 NH1 ARG B 794 -1.412 -0.708 10.246 1.00 0.00 N ATOM 1547 NH2 ARG B 794 0.048 -2.385 9.847 1.00 0.00 N ATOM 0 H ARG B 794 1.526 -0.280 4.605 1.00 0.00 H new ATOM 0 HA ARG B 794 -0.682 -1.169 6.182 1.00 0.00 H new ATOM 0 HB2 ARG B 794 0.270 1.323 4.706 1.00 0.00 H new ATOM 0 HB3 ARG B 794 -1.332 1.344 5.417 1.00 0.00 H new ATOM 0 HG2 ARG B 794 1.232 0.648 6.940 1.00 0.00 H new ATOM 0 HG3 ARG B 794 0.442 2.212 6.989 1.00 0.00 H new ATOM 0 HD2 ARG B 794 -0.744 1.337 8.777 1.00 0.00 H new ATOM 0 HD3 ARG B 794 -1.690 0.500 7.563 1.00 0.00 H new ATOM 0 HE ARG B 794 0.631 -1.109 7.814 1.00 0.00 H new ATOM 0 HH11 ARG B 794 -1.836 0.179 9.975 1.00 0.00 H new ATOM 0 HH12 ARG B 794 -1.708 -1.174 11.103 1.00 0.00 H new ATOM 0 HH21 ARG B 794 0.768 -2.813 9.265 1.00 0.00 H new ATOM 0 HH22 ARG B 794 -0.254 -2.845 10.706 1.00 0.00 H new ATOM 1561 N VAL B 795 -1.497 -0.485 3.066 1.00 0.00 N ATOM 1562 CA VAL B 795 -2.566 -0.755 2.062 1.00 0.00 C ATOM 1563 C VAL B 795 -2.890 -2.249 2.019 1.00 0.00 C ATOM 1564 O VAL B 795 -4.021 -2.653 2.189 1.00 0.00 O ATOM 1565 CB VAL B 795 -1.973 -0.296 0.724 1.00 0.00 C ATOM 1566 CG1 VAL B 795 -2.938 -0.649 -0.414 1.00 0.00 C ATOM 1567 CG2 VAL B 795 -1.758 1.219 0.753 1.00 0.00 C ATOM 0 H VAL B 795 -0.708 0.062 2.721 1.00 0.00 H new ATOM 0 HA VAL B 795 -3.496 -0.237 2.299 1.00 0.00 H new ATOM 0 HB VAL B 795 -1.019 -0.798 0.562 1.00 0.00 H new ATOM 0 HG11 VAL B 795 -2.515 -0.322 -1.364 1.00 0.00 H new ATOM 0 HG12 VAL B 795 -3.093 -1.728 -0.438 1.00 0.00 H new ATOM 0 HG13 VAL B 795 -3.892 -0.148 -0.250 1.00 0.00 H new ATOM 0 HG21 VAL B 795 -1.337 1.545 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL B 795 -2.713 1.719 0.917 1.00 0.00 H new ATOM 0 HG23 VAL B 795 -1.071 1.474 1.560 1.00 0.00 H new ATOM 1577 N PHE B 796 -1.906 -3.072 1.790 1.00 0.00 N ATOM 1578 CA PHE B 796 -2.164 -4.539 1.734 1.00 0.00 C ATOM 1579 C PHE B 796 -2.483 -5.075 3.130 1.00 0.00 C ATOM 1580 O PHE B 796 -3.520 -5.662 3.362 1.00 0.00 O ATOM 1581 CB PHE B 796 -0.860 -5.145 1.214 1.00 0.00 C ATOM 1582 CG PHE B 796 -0.525 -4.535 -0.125 1.00 0.00 C ATOM 1583 CD1 PHE B 796 -1.511 -4.433 -1.114 1.00 0.00 C ATOM 1584 CD2 PHE B 796 0.769 -4.063 -0.375 1.00 0.00 C ATOM 1585 CE1 PHE B 796 -1.201 -3.864 -2.355 1.00 0.00 C ATOM 1586 CE2 PHE B 796 1.078 -3.494 -1.615 1.00 0.00 C ATOM 1587 CZ PHE B 796 0.094 -3.394 -2.605 1.00 0.00 C ATOM 0 H PHE B 796 -0.936 -2.794 1.639 1.00 0.00 H new ATOM 0 HA PHE B 796 -3.015 -4.786 1.099 1.00 0.00 H new ATOM 0 HB2 PHE B 796 -0.052 -4.961 1.922 1.00 0.00 H new ATOM 0 HB3 PHE B 796 -0.961 -6.226 1.119 1.00 0.00 H new ATOM 0 HD1 PHE B 796 -2.510 -4.793 -0.919 1.00 0.00 H new ATOM 0 HD2 PHE B 796 1.528 -4.138 0.389 1.00 0.00 H new ATOM 0 HE1 PHE B 796 -1.960 -3.788 -3.119 1.00 0.00 H new ATOM 0 HE2 PHE B 796 2.077 -3.132 -1.808 1.00 0.00 H new ATOM 0 HZ PHE B 796 0.333 -2.954 -3.562 1.00 0.00 H new ATOM 1597 N THR B 797 -1.598 -4.865 4.062 1.00 0.00 N ATOM 1598 CA THR B 797 -1.829 -5.350 5.450 1.00 0.00 C ATOM 1599 C THR B 797 -3.212 -4.926 5.952 1.00 0.00 C ATOM 1600 O THR B 797 -3.897 -5.680 6.614 1.00 0.00 O ATOM 1601 CB THR B 797 -0.725 -4.676 6.265 1.00 0.00 C ATOM 1602 OG1 THR B 797 0.537 -5.043 5.730 1.00 0.00 O ATOM 1603 CG2 THR B 797 -0.804 -5.124 7.722 1.00 0.00 C ATOM 0 H THR B 797 -0.716 -4.373 3.920 1.00 0.00 H new ATOM 0 HA THR B 797 -1.802 -6.437 5.525 1.00 0.00 H new ATOM 0 HB THR B 797 -0.851 -3.594 6.217 1.00 0.00 H new ATOM 0 HG1 THR B 797 0.721 -4.508 4.930 1.00 0.00 H new ATOM 0 HG21 THR B 797 -0.014 -4.639 8.295 1.00 0.00 H new ATOM 0 HG22 THR B 797 -1.774 -4.848 8.135 1.00 0.00 H new ATOM 0 HG23 THR B 797 -0.681 -6.206 7.777 1.00 0.00 H new ATOM 1611 N ASN B 798 -3.637 -3.731 5.637 1.00 0.00 N ATOM 1612 CA ASN B 798 -4.984 -3.283 6.093 1.00 0.00 C ATOM 1613 C ASN B 798 -6.068 -3.872 5.190 1.00 0.00 C ATOM 1614 O ASN B 798 -7.008 -4.487 5.653 1.00 0.00 O ATOM 1615 CB ASN B 798 -4.965 -1.758 5.972 1.00 0.00 C ATOM 1616 CG ASN B 798 -3.938 -1.179 6.946 1.00 0.00 C ATOM 1617 OD1 ASN B 798 -2.923 -1.792 7.213 1.00 0.00 O ATOM 1618 ND2 ASN B 798 -4.164 -0.018 7.496 1.00 0.00 N ATOM 0 H ASN B 798 -3.113 -3.050 5.087 1.00 0.00 H new ATOM 0 HA ASN B 798 -5.200 -3.608 7.111 1.00 0.00 H new ATOM 0 HB2 ASN B 798 -4.717 -1.467 4.951 1.00 0.00 H new ATOM 0 HB3 ASN B 798 -5.954 -1.354 6.188 1.00 0.00 H new ATOM 0 HD21 ASN B 798 -3.489 0.376 8.151 1.00 0.00 H new ATOM 0 HD22 ASN B 798 -5.016 0.496 7.271 1.00 0.00 H new ATOM 1625 N CYS B 799 -5.943 -3.696 3.902 1.00 0.00 N ATOM 1626 CA CYS B 799 -6.970 -4.252 2.975 1.00 0.00 C ATOM 1627 C CYS B 799 -7.158 -5.750 3.228 1.00 0.00 C ATOM 1628 O CYS B 799 -8.224 -6.294 3.023 1.00 0.00 O ATOM 1629 CB CYS B 799 -6.409 -4.015 1.572 1.00 0.00 C ATOM 1630 SG CYS B 799 -6.633 -2.277 1.118 1.00 0.00 S ATOM 0 H CYS B 799 -5.177 -3.193 3.453 1.00 0.00 H new ATOM 0 HA CYS B 799 -7.944 -3.781 3.111 1.00 0.00 H new ATOM 0 HB2 CYS B 799 -5.351 -4.276 1.543 1.00 0.00 H new ATOM 0 HB3 CYS B 799 -6.916 -4.658 0.853 1.00 0.00 H new ATOM 0 HG CYS B 799 -5.556 -1.610 1.411 1.00 0.00 H new ATOM 1636 N LYS B 800 -6.129 -6.421 3.670 1.00 0.00 N ATOM 1637 CA LYS B 800 -6.252 -7.880 3.943 1.00 0.00 C ATOM 1638 C LYS B 800 -7.140 -8.110 5.166 1.00 0.00 C ATOM 1639 O LYS B 800 -7.739 -9.156 5.327 1.00 0.00 O ATOM 1640 CB LYS B 800 -4.823 -8.350 4.223 1.00 0.00 C ATOM 1641 CG LYS B 800 -4.025 -8.366 2.918 1.00 0.00 C ATOM 1642 CD LYS B 800 -3.655 -9.808 2.561 1.00 0.00 C ATOM 1643 CE LYS B 800 -2.217 -10.088 3.004 1.00 0.00 C ATOM 1644 NZ LYS B 800 -2.290 -10.199 4.488 1.00 0.00 N ATOM 0 H LYS B 800 -5.209 -6.021 3.854 1.00 0.00 H new ATOM 0 HA LYS B 800 -6.704 -8.422 3.113 1.00 0.00 H new ATOM 0 HB2 LYS B 800 -4.346 -7.687 4.945 1.00 0.00 H new ATOM 0 HB3 LYS B 800 -4.837 -9.346 4.665 1.00 0.00 H new ATOM 0 HG2 LYS B 800 -4.613 -7.921 2.115 1.00 0.00 H new ATOM 0 HG3 LYS B 800 -3.123 -7.764 3.024 1.00 0.00 H new ATOM 0 HD2 LYS B 800 -4.339 -10.502 3.049 1.00 0.00 H new ATOM 0 HD3 LYS B 800 -3.754 -9.965 1.487 1.00 0.00 H new ATOM 0 HE2 LYS B 800 -1.837 -11.007 2.557 1.00 0.00 H new ATOM 0 HE3 LYS B 800 -1.546 -9.285 2.700 1.00 0.00 H new ATOM 0 HZ1 LYS B 800 -1.431 -10.665 4.844 1.00 0.00 H new ATOM 0 HZ2 LYS B 800 -2.366 -9.249 4.904 1.00 0.00 H new ATOM 0 HZ3 LYS B 800 -3.124 -10.760 4.754 1.00 0.00 H new ATOM 1658 N GLU B 801 -7.233 -7.135 6.026 1.00 0.00 N ATOM 1659 CA GLU B 801 -8.087 -7.285 7.238 1.00 0.00 C ATOM 1660 C GLU B 801 -9.559 -7.040 6.893 1.00 0.00 C ATOM 1661 O GLU B 801 -10.449 -7.407 7.634 1.00 0.00 O ATOM 1662 CB GLU B 801 -7.580 -6.213 8.199 1.00 0.00 C ATOM 1663 CG GLU B 801 -7.168 -6.872 9.513 1.00 0.00 C ATOM 1664 CD GLU B 801 -8.370 -7.594 10.125 1.00 0.00 C ATOM 1665 OE1 GLU B 801 -9.384 -6.947 10.329 1.00 0.00 O ATOM 1666 OE2 GLU B 801 -8.256 -8.782 10.381 1.00 0.00 O ATOM 0 H GLU B 801 -6.754 -6.239 5.942 1.00 0.00 H new ATOM 0 HA GLU B 801 -8.029 -8.287 7.663 1.00 0.00 H new ATOM 0 HB2 GLU B 801 -6.732 -5.686 7.761 1.00 0.00 H new ATOM 0 HB3 GLU B 801 -8.358 -5.471 8.379 1.00 0.00 H new ATOM 0 HG2 GLU B 801 -6.357 -7.579 9.338 1.00 0.00 H new ATOM 0 HG3 GLU B 801 -6.791 -6.120 10.206 1.00 0.00 H new ATOM 1673 N TYR B 802 -9.823 -6.421 5.773 1.00 0.00 N ATOM 1674 CA TYR B 802 -11.234 -6.141 5.387 1.00 0.00 C ATOM 1675 C TYR B 802 -11.661 -7.054 4.229 1.00 0.00 C ATOM 1676 O TYR B 802 -12.632 -7.778 4.325 1.00 0.00 O ATOM 1677 CB TYR B 802 -11.218 -4.663 4.950 1.00 0.00 C ATOM 1678 CG TYR B 802 -12.463 -4.329 4.155 1.00 0.00 C ATOM 1679 CD1 TYR B 802 -13.706 -4.829 4.559 1.00 0.00 C ATOM 1680 CD2 TYR B 802 -12.366 -3.545 2.999 1.00 0.00 C ATOM 1681 CE1 TYR B 802 -14.856 -4.529 3.819 1.00 0.00 C ATOM 1682 CE2 TYR B 802 -13.515 -3.247 2.258 1.00 0.00 C ATOM 1683 CZ TYR B 802 -14.760 -3.738 2.668 1.00 0.00 C ATOM 1684 OH TYR B 802 -15.892 -3.444 1.937 1.00 0.00 O ATOM 0 H TYR B 802 -9.120 -6.097 5.109 1.00 0.00 H new ATOM 0 HA TYR B 802 -11.941 -6.324 6.197 1.00 0.00 H new ATOM 0 HB2 TYR B 802 -11.157 -4.019 5.828 1.00 0.00 H new ATOM 0 HB3 TYR B 802 -10.331 -4.466 4.347 1.00 0.00 H new ATOM 0 HD1 TYR B 802 -13.778 -5.447 5.442 1.00 0.00 H new ATOM 0 HD2 TYR B 802 -11.405 -3.170 2.679 1.00 0.00 H new ATOM 0 HE1 TYR B 802 -15.817 -4.908 4.136 1.00 0.00 H new ATOM 0 HE2 TYR B 802 -13.441 -2.638 1.369 1.00 0.00 H new ATOM 0 HH TYR B 802 -15.650 -2.884 1.170 1.00 0.00 H new ATOM 1694 N ASN B 803 -10.957 -6.983 3.129 1.00 0.00 N ATOM 1695 CA ASN B 803 -11.318 -7.792 1.921 1.00 0.00 C ATOM 1696 C ASN B 803 -11.767 -9.216 2.292 1.00 0.00 C ATOM 1697 O ASN B 803 -11.277 -9.792 3.243 1.00 0.00 O ATOM 1698 CB ASN B 803 -10.030 -7.844 1.097 1.00 0.00 C ATOM 1699 CG ASN B 803 -9.673 -6.434 0.622 1.00 0.00 C ATOM 1700 OD1 ASN B 803 -10.070 -5.458 1.227 1.00 0.00 O ATOM 1701 ND2 ASN B 803 -8.937 -6.284 -0.446 1.00 0.00 N ATOM 0 H ASN B 803 -10.135 -6.391 3.013 1.00 0.00 H new ATOM 0 HA ASN B 803 -12.155 -7.348 1.382 1.00 0.00 H new ATOM 0 HB2 ASN B 803 -9.218 -8.254 1.697 1.00 0.00 H new ATOM 0 HB3 ASN B 803 -10.159 -8.506 0.241 1.00 0.00 H new ATOM 0 HD21 ASN B 803 -8.696 -5.348 -0.772 1.00 0.00 H new ATOM 0 HD22 ASN B 803 -8.603 -7.103 -0.955 1.00 0.00 H new ATOM 1708 N PRO B 804 -12.700 -9.734 1.524 1.00 0.00 N ATOM 1709 CA PRO B 804 -13.224 -11.099 1.774 1.00 0.00 C ATOM 1710 C PRO B 804 -12.084 -12.107 1.947 1.00 0.00 C ATOM 1711 O PRO B 804 -10.980 -11.868 1.503 1.00 0.00 O ATOM 1712 CB PRO B 804 -14.018 -11.410 0.510 1.00 0.00 C ATOM 1713 CG PRO B 804 -14.421 -10.079 -0.033 1.00 0.00 C ATOM 1714 CD PRO B 804 -13.343 -9.106 0.358 1.00 0.00 C ATOM 0 HA PRO B 804 -13.819 -11.159 2.686 1.00 0.00 H new ATOM 0 HB2 PRO B 804 -13.414 -11.963 -0.209 1.00 0.00 H new ATOM 0 HB3 PRO B 804 -14.890 -12.025 0.733 1.00 0.00 H new ATOM 0 HG2 PRO B 804 -14.530 -10.120 -1.117 1.00 0.00 H new ATOM 0 HG3 PRO B 804 -15.385 -9.772 0.373 1.00 0.00 H new ATOM 0 HD2 PRO B 804 -12.632 -8.951 -0.454 1.00 0.00 H new ATOM 0 HD3 PRO B 804 -13.758 -8.130 0.609 1.00 0.00 H new ATOM 1722 N PRO B 805 -12.394 -13.218 2.574 1.00 0.00 N ATOM 1723 CA PRO B 805 -11.374 -14.274 2.785 1.00 0.00 C ATOM 1724 C PRO B 805 -10.885 -14.812 1.439 1.00 0.00 C ATOM 1725 O PRO B 805 -11.289 -15.870 0.998 1.00 0.00 O ATOM 1726 CB PRO B 805 -12.120 -15.367 3.559 1.00 0.00 C ATOM 1727 CG PRO B 805 -13.368 -14.720 4.073 1.00 0.00 C ATOM 1728 CD PRO B 805 -13.697 -13.591 3.137 1.00 0.00 C ATOM 0 HA PRO B 805 -10.495 -13.911 3.317 1.00 0.00 H new ATOM 0 HB2 PRO B 805 -12.355 -16.213 2.913 1.00 0.00 H new ATOM 0 HB3 PRO B 805 -11.512 -15.751 4.378 1.00 0.00 H new ATOM 0 HG2 PRO B 805 -14.187 -15.439 4.113 1.00 0.00 H new ATOM 0 HG3 PRO B 805 -13.220 -14.349 5.087 1.00 0.00 H new ATOM 0 HD2 PRO B 805 -14.394 -13.905 2.360 1.00 0.00 H new ATOM 0 HD3 PRO B 805 -14.160 -12.756 3.663 1.00 0.00 H new ATOM 1736 N GLU B 806 -10.023 -14.088 0.780 1.00 0.00 N ATOM 1737 CA GLU B 806 -9.516 -14.549 -0.543 1.00 0.00 C ATOM 1738 C GLU B 806 -10.684 -14.854 -1.483 1.00 0.00 C ATOM 1739 O GLU B 806 -10.691 -15.854 -2.173 1.00 0.00 O ATOM 1740 CB GLU B 806 -8.728 -15.826 -0.241 1.00 0.00 C ATOM 1741 CG GLU B 806 -7.907 -16.220 -1.469 1.00 0.00 C ATOM 1742 CD GLU B 806 -7.498 -17.691 -1.360 1.00 0.00 C ATOM 1743 OE1 GLU B 806 -8.263 -18.532 -1.802 1.00 0.00 O ATOM 1744 OE2 GLU B 806 -6.426 -17.950 -0.839 1.00 0.00 O ATOM 0 H GLU B 806 -9.647 -13.196 1.101 1.00 0.00 H new ATOM 0 HA GLU B 806 -8.902 -13.794 -1.034 1.00 0.00 H new ATOM 0 HB2 GLU B 806 -8.070 -15.667 0.614 1.00 0.00 H new ATOM 0 HB3 GLU B 806 -9.410 -16.632 0.028 1.00 0.00 H new ATOM 0 HG2 GLU B 806 -8.490 -16.060 -2.376 1.00 0.00 H new ATOM 0 HG3 GLU B 806 -7.021 -15.590 -1.544 1.00 0.00 H new ATOM 1751 N SER B 807 -11.673 -14.000 -1.519 1.00 0.00 N ATOM 1752 CA SER B 807 -12.831 -14.251 -2.422 1.00 0.00 C ATOM 1753 C SER B 807 -12.667 -13.480 -3.729 1.00 0.00 C ATOM 1754 O SER B 807 -12.594 -14.061 -4.794 1.00 0.00 O ATOM 1755 CB SER B 807 -14.058 -13.754 -1.656 1.00 0.00 C ATOM 1756 OG SER B 807 -13.904 -14.044 -0.274 1.00 0.00 O ATOM 0 H SER B 807 -11.728 -13.145 -0.965 1.00 0.00 H new ATOM 0 HA SER B 807 -12.918 -15.305 -2.687 1.00 0.00 H new ATOM 0 HB2 SER B 807 -14.181 -12.681 -1.802 1.00 0.00 H new ATOM 0 HB3 SER B 807 -14.958 -14.233 -2.041 1.00 0.00 H new ATOM 0 HG SER B 807 -14.785 -14.184 0.131 1.00 0.00 H new ATOM 1762 N GLU B 808 -12.605 -12.181 -3.665 1.00 0.00 N ATOM 1763 CA GLU B 808 -12.454 -11.393 -4.920 1.00 0.00 C ATOM 1764 C GLU B 808 -11.501 -10.217 -4.713 1.00 0.00 C ATOM 1765 O GLU B 808 -10.637 -9.955 -5.526 1.00 0.00 O ATOM 1766 CB GLU B 808 -13.862 -10.887 -5.235 1.00 0.00 C ATOM 1767 CG GLU B 808 -14.233 -11.274 -6.667 1.00 0.00 C ATOM 1768 CD GLU B 808 -14.012 -10.076 -7.593 1.00 0.00 C ATOM 1769 OE1 GLU B 808 -14.610 -9.042 -7.346 1.00 0.00 O ATOM 1770 OE2 GLU B 808 -13.248 -10.214 -8.535 1.00 0.00 O ATOM 0 H GLU B 808 -12.652 -11.633 -2.806 1.00 0.00 H new ATOM 0 HA GLU B 808 -12.036 -11.992 -5.729 1.00 0.00 H new ATOM 0 HB2 GLU B 808 -14.579 -11.314 -4.534 1.00 0.00 H new ATOM 0 HB3 GLU B 808 -13.906 -9.804 -5.116 1.00 0.00 H new ATOM 0 HG2 GLU B 808 -13.626 -12.118 -6.996 1.00 0.00 H new ATOM 0 HG3 GLU B 808 -15.274 -11.594 -6.711 1.00 0.00 H new ATOM 1777 N TYR B 809 -11.682 -9.478 -3.658 1.00 0.00 N ATOM 1778 CA TYR B 809 -10.790 -8.307 -3.409 1.00 0.00 C ATOM 1779 C TYR B 809 -9.475 -8.759 -2.768 1.00 0.00 C ATOM 1780 O TYR B 809 -8.411 -8.282 -3.110 1.00 0.00 O ATOM 1781 CB TYR B 809 -11.575 -7.407 -2.454 1.00 0.00 C ATOM 1782 CG TYR B 809 -12.099 -6.207 -3.207 1.00 0.00 C ATOM 1783 CD1 TYR B 809 -12.798 -6.386 -4.407 1.00 0.00 C ATOM 1784 CD2 TYR B 809 -11.898 -4.917 -2.700 1.00 0.00 C ATOM 1785 CE1 TYR B 809 -13.291 -5.276 -5.103 1.00 0.00 C ATOM 1786 CE2 TYR B 809 -12.391 -3.807 -3.397 1.00 0.00 C ATOM 1787 CZ TYR B 809 -13.086 -3.986 -4.598 1.00 0.00 C ATOM 1788 OH TYR B 809 -13.572 -2.892 -5.284 1.00 0.00 O ATOM 0 H TYR B 809 -12.406 -9.631 -2.956 1.00 0.00 H new ATOM 0 HA TYR B 809 -10.525 -7.790 -4.331 1.00 0.00 H new ATOM 0 HB2 TYR B 809 -12.403 -7.962 -2.012 1.00 0.00 H new ATOM 0 HB3 TYR B 809 -10.934 -7.083 -1.634 1.00 0.00 H new ATOM 0 HD1 TYR B 809 -12.957 -7.381 -4.796 1.00 0.00 H new ATOM 0 HD2 TYR B 809 -11.363 -4.778 -1.772 1.00 0.00 H new ATOM 0 HE1 TYR B 809 -13.829 -5.414 -6.029 1.00 0.00 H new ATOM 0 HE2 TYR B 809 -12.235 -2.812 -3.007 1.00 0.00 H new ATOM 0 HH TYR B 809 -13.345 -2.073 -4.797 1.00 0.00 H new ATOM 1798 N TYR B 810 -9.542 -9.669 -1.837 1.00 0.00 N ATOM 1799 CA TYR B 810 -8.299 -10.147 -1.167 1.00 0.00 C ATOM 1800 C TYR B 810 -7.373 -10.832 -2.175 1.00 0.00 C ATOM 1801 O TYR B 810 -6.186 -10.962 -1.952 1.00 0.00 O ATOM 1802 CB TYR B 810 -8.790 -11.152 -0.122 1.00 0.00 C ATOM 1803 CG TYR B 810 -7.610 -11.768 0.593 1.00 0.00 C ATOM 1804 CD1 TYR B 810 -6.838 -12.748 -0.042 1.00 0.00 C ATOM 1805 CD2 TYR B 810 -7.301 -11.372 1.900 1.00 0.00 C ATOM 1806 CE1 TYR B 810 -5.749 -13.323 0.625 1.00 0.00 C ATOM 1807 CE2 TYR B 810 -6.213 -11.947 2.567 1.00 0.00 C ATOM 1808 CZ TYR B 810 -5.437 -12.923 1.929 1.00 0.00 C ATOM 1809 OH TYR B 810 -4.364 -13.489 2.586 1.00 0.00 O ATOM 0 H TYR B 810 -10.405 -10.104 -1.510 1.00 0.00 H new ATOM 0 HA TYR B 810 -7.727 -9.332 -0.724 1.00 0.00 H new ATOM 0 HB2 TYR B 810 -9.442 -10.654 0.596 1.00 0.00 H new ATOM 0 HB3 TYR B 810 -9.382 -11.931 -0.603 1.00 0.00 H new ATOM 0 HD1 TYR B 810 -7.082 -13.061 -1.046 1.00 0.00 H new ATOM 0 HD2 TYR B 810 -7.902 -10.623 2.394 1.00 0.00 H new ATOM 0 HE1 TYR B 810 -5.150 -14.075 0.133 1.00 0.00 H new ATOM 0 HE2 TYR B 810 -5.972 -11.638 3.573 1.00 0.00 H new ATOM 0 HH TYR B 810 -4.286 -13.099 3.481 1.00 0.00 H new ATOM 1819 N LYS B 811 -7.906 -11.275 -3.281 1.00 0.00 N ATOM 1820 CA LYS B 811 -7.054 -11.956 -4.297 1.00 0.00 C ATOM 1821 C LYS B 811 -5.976 -11.003 -4.817 1.00 0.00 C ATOM 1822 O LYS B 811 -4.873 -11.408 -5.126 1.00 0.00 O ATOM 1823 CB LYS B 811 -8.018 -12.338 -5.422 1.00 0.00 C ATOM 1824 CG LYS B 811 -8.556 -13.749 -5.173 1.00 0.00 C ATOM 1825 CD LYS B 811 -7.855 -14.736 -6.110 1.00 0.00 C ATOM 1826 CE LYS B 811 -8.331 -14.503 -7.545 1.00 0.00 C ATOM 1827 NZ LYS B 811 -7.081 -14.359 -8.343 1.00 0.00 N ATOM 0 H LYS B 811 -8.893 -11.195 -3.525 1.00 0.00 H new ATOM 0 HA LYS B 811 -6.535 -12.822 -3.886 1.00 0.00 H new ATOM 0 HB2 LYS B 811 -8.842 -11.626 -5.468 1.00 0.00 H new ATOM 0 HB3 LYS B 811 -7.507 -12.296 -6.384 1.00 0.00 H new ATOM 0 HG2 LYS B 811 -8.389 -14.035 -4.135 1.00 0.00 H new ATOM 0 HG3 LYS B 811 -9.633 -13.774 -5.341 1.00 0.00 H new ATOM 0 HD2 LYS B 811 -6.774 -14.607 -6.049 1.00 0.00 H new ATOM 0 HD3 LYS B 811 -8.072 -15.760 -5.805 1.00 0.00 H new ATOM 0 HE2 LYS B 811 -8.934 -15.338 -7.902 1.00 0.00 H new ATOM 0 HE3 LYS B 811 -8.951 -13.609 -7.616 1.00 0.00 H new ATOM 0 HZ1 LYS B 811 -7.323 -14.196 -9.341 1.00 0.00 H new ATOM 0 HZ2 LYS B 811 -6.531 -13.553 -7.984 1.00 0.00 H new ATOM 0 HZ3 LYS B 811 -6.515 -15.228 -8.261 1.00 0.00 H new ATOM 1841 N CYS B 812 -6.284 -9.738 -4.916 1.00 0.00 N ATOM 1842 CA CYS B 812 -5.274 -8.764 -5.418 1.00 0.00 C ATOM 1843 C CYS B 812 -4.157 -8.576 -4.391 1.00 0.00 C ATOM 1844 O CYS B 812 -2.988 -8.615 -4.718 1.00 0.00 O ATOM 1845 CB CYS B 812 -6.045 -7.457 -5.603 1.00 0.00 C ATOM 1846 SG CYS B 812 -7.420 -7.722 -6.751 1.00 0.00 S ATOM 0 H CYS B 812 -7.190 -9.338 -4.671 1.00 0.00 H new ATOM 0 HA CYS B 812 -4.804 -9.102 -6.342 1.00 0.00 H new ATOM 0 HB2 CYS B 812 -6.422 -7.106 -4.642 1.00 0.00 H new ATOM 0 HB3 CYS B 812 -5.381 -6.682 -5.987 1.00 0.00 H new ATOM 0 HG CYS B 812 -7.669 -6.619 -7.392 1.00 0.00 H new ATOM 1852 N ALA B 813 -4.506 -8.370 -3.149 1.00 0.00 N ATOM 1853 CA ALA B 813 -3.460 -8.176 -2.104 1.00 0.00 C ATOM 1854 C ALA B 813 -2.440 -9.314 -2.153 1.00 0.00 C ATOM 1855 O ALA B 813 -1.258 -9.105 -1.980 1.00 0.00 O ATOM 1856 CB ALA B 813 -4.219 -8.199 -0.776 1.00 0.00 C ATOM 0 H ALA B 813 -5.468 -8.328 -2.814 1.00 0.00 H new ATOM 0 HA ALA B 813 -2.906 -7.248 -2.245 1.00 0.00 H new ATOM 0 HB1 ALA B 813 -3.517 -8.062 0.047 1.00 0.00 H new ATOM 0 HB2 ALA B 813 -4.954 -7.395 -0.763 1.00 0.00 H new ATOM 0 HB3 ALA B 813 -4.727 -9.157 -0.664 1.00 0.00 H new ATOM 1862 N ASN B 814 -2.886 -10.515 -2.393 1.00 0.00 N ATOM 1863 CA ASN B 814 -1.933 -11.659 -2.464 1.00 0.00 C ATOM 1864 C ASN B 814 -0.949 -11.450 -3.618 1.00 0.00 C ATOM 1865 O ASN B 814 0.253 -11.471 -3.435 1.00 0.00 O ATOM 1866 CB ASN B 814 -2.811 -12.885 -2.727 1.00 0.00 C ATOM 1867 CG ASN B 814 -2.474 -13.981 -1.714 1.00 0.00 C ATOM 1868 OD1 ASN B 814 -2.182 -13.697 -0.569 1.00 0.00 O ATOM 1869 ND2 ASN B 814 -2.503 -15.231 -2.089 1.00 0.00 N ATOM 0 H ASN B 814 -3.866 -10.754 -2.543 1.00 0.00 H new ATOM 0 HA ASN B 814 -1.342 -11.766 -1.554 1.00 0.00 H new ATOM 0 HB2 ASN B 814 -3.864 -12.615 -2.649 1.00 0.00 H new ATOM 0 HB3 ASN B 814 -2.650 -13.250 -3.741 1.00 0.00 H new ATOM 0 HD21 ASN B 814 -2.281 -15.969 -1.421 1.00 0.00 H new ATOM 0 HD22 ASN B 814 -2.748 -15.470 -3.050 1.00 0.00 H new ATOM 1876 N ILE B 815 -1.453 -11.234 -4.803 1.00 0.00 N ATOM 1877 CA ILE B 815 -0.553 -11.018 -5.972 1.00 0.00 C ATOM 1878 C ILE B 815 0.358 -9.812 -5.730 1.00 0.00 C ATOM 1879 O ILE B 815 1.547 -9.860 -5.978 1.00 0.00 O ATOM 1880 CB ILE B 815 -1.502 -10.743 -7.144 1.00 0.00 C ATOM 1881 CG1 ILE B 815 -2.330 -11.997 -7.432 1.00 0.00 C ATOM 1882 CG2 ILE B 815 -0.692 -10.370 -8.389 1.00 0.00 C ATOM 1883 CD1 ILE B 815 -3.668 -11.594 -8.057 1.00 0.00 C ATOM 0 H ILE B 815 -2.451 -11.198 -5.012 1.00 0.00 H new ATOM 0 HA ILE B 815 0.099 -11.872 -6.156 1.00 0.00 H new ATOM 0 HB ILE B 815 -2.165 -9.917 -6.885 1.00 0.00 H new ATOM 0 HG12 ILE B 815 -1.786 -12.658 -8.107 1.00 0.00 H new ATOM 0 HG13 ILE B 815 -2.500 -12.553 -6.510 1.00 0.00 H new ATOM 0 HG21 ILE B 815 -1.370 -10.175 -9.220 1.00 0.00 H new ATOM 0 HG22 ILE B 815 -0.102 -9.476 -8.185 1.00 0.00 H new ATOM 0 HG23 ILE B 815 -0.026 -11.193 -8.650 1.00 0.00 H new ATOM 0 HD11 ILE B 815 -4.258 -12.488 -8.262 1.00 0.00 H new ATOM 0 HD12 ILE B 815 -4.213 -10.950 -7.367 1.00 0.00 H new ATOM 0 HD13 ILE B 815 -3.488 -11.057 -8.988 1.00 0.00 H new ATOM 1895 N LEU B 816 -0.191 -8.727 -5.260 1.00 0.00 N ATOM 1896 CA LEU B 816 0.641 -7.513 -5.025 1.00 0.00 C ATOM 1897 C LEU B 816 1.583 -7.718 -3.837 1.00 0.00 C ATOM 1898 O LEU B 816 2.784 -7.581 -3.954 1.00 0.00 O ATOM 1899 CB LEU B 816 -0.368 -6.406 -4.714 1.00 0.00 C ATOM 1900 CG LEU B 816 -0.417 -5.419 -5.881 1.00 0.00 C ATOM 1901 CD1 LEU B 816 -1.405 -4.300 -5.557 1.00 0.00 C ATOM 1902 CD2 LEU B 816 0.974 -4.824 -6.105 1.00 0.00 C ATOM 0 H LEU B 816 -1.179 -8.628 -5.028 1.00 0.00 H new ATOM 0 HA LEU B 816 1.270 -7.278 -5.884 1.00 0.00 H new ATOM 0 HB2 LEU B 816 -1.355 -6.836 -4.546 1.00 0.00 H new ATOM 0 HB3 LEU B 816 -0.085 -5.888 -3.797 1.00 0.00 H new ATOM 0 HG LEU B 816 -0.738 -5.938 -6.784 1.00 0.00 H new ATOM 0 HD11 LEU B 816 -1.442 -3.595 -6.388 1.00 0.00 H new ATOM 0 HD12 LEU B 816 -2.396 -4.725 -5.398 1.00 0.00 H new ATOM 0 HD13 LEU B 816 -1.083 -3.781 -4.654 1.00 0.00 H new ATOM 0 HD21 LEU B 816 0.939 -4.120 -6.937 1.00 0.00 H new ATOM 0 HD22 LEU B 816 1.297 -4.304 -5.203 1.00 0.00 H new ATOM 0 HD23 LEU B 816 1.679 -5.623 -6.335 1.00 0.00 H new ATOM 1914 N GLU B 817 1.045 -8.037 -2.691 1.00 0.00 N ATOM 1915 CA GLU B 817 1.899 -8.236 -1.483 1.00 0.00 C ATOM 1916 C GLU B 817 3.096 -9.138 -1.802 1.00 0.00 C ATOM 1917 O GLU B 817 4.164 -8.983 -1.245 1.00 0.00 O ATOM 1918 CB GLU B 817 0.974 -8.916 -0.464 1.00 0.00 C ATOM 1919 CG GLU B 817 1.776 -9.351 0.768 1.00 0.00 C ATOM 1920 CD GLU B 817 2.207 -8.116 1.561 1.00 0.00 C ATOM 1921 OE1 GLU B 817 1.523 -7.110 1.471 1.00 0.00 O ATOM 1922 OE2 GLU B 817 3.213 -8.198 2.247 1.00 0.00 O ATOM 0 H GLU B 817 0.045 -8.169 -2.538 1.00 0.00 H new ATOM 0 HA GLU B 817 2.310 -7.297 -1.113 1.00 0.00 H new ATOM 0 HB2 GLU B 817 0.180 -8.230 -0.167 1.00 0.00 H new ATOM 0 HB3 GLU B 817 0.493 -9.782 -0.919 1.00 0.00 H new ATOM 0 HG2 GLU B 817 1.172 -10.006 1.395 1.00 0.00 H new ATOM 0 HG3 GLU B 817 2.652 -9.923 0.461 1.00 0.00 H new ATOM 1929 N LYS B 818 2.920 -10.096 -2.665 1.00 0.00 N ATOM 1930 CA LYS B 818 4.044 -11.018 -2.982 1.00 0.00 C ATOM 1931 C LYS B 818 5.010 -10.381 -3.984 1.00 0.00 C ATOM 1932 O LYS B 818 6.213 -10.481 -3.848 1.00 0.00 O ATOM 1933 CB LYS B 818 3.375 -12.250 -3.591 1.00 0.00 C ATOM 1934 CG LYS B 818 3.454 -13.409 -2.605 1.00 0.00 C ATOM 1935 CD LYS B 818 2.521 -13.103 -1.453 1.00 0.00 C ATOM 1936 CE LYS B 818 1.658 -14.324 -1.161 1.00 0.00 C ATOM 1937 NZ LYS B 818 0.369 -13.771 -0.656 1.00 0.00 N ATOM 0 H LYS B 818 2.050 -10.281 -3.164 1.00 0.00 H new ATOM 0 HA LYS B 818 4.635 -11.260 -2.099 1.00 0.00 H new ATOM 0 HB2 LYS B 818 2.334 -12.032 -3.830 1.00 0.00 H new ATOM 0 HB3 LYS B 818 3.866 -12.519 -4.526 1.00 0.00 H new ATOM 0 HG2 LYS B 818 3.169 -14.343 -3.090 1.00 0.00 H new ATOM 0 HG3 LYS B 818 4.475 -13.536 -2.246 1.00 0.00 H new ATOM 0 HD2 LYS B 818 3.096 -12.831 -0.568 1.00 0.00 H new ATOM 0 HD3 LYS B 818 1.890 -12.249 -1.699 1.00 0.00 H new ATOM 0 HE2 LYS B 818 1.506 -14.924 -2.058 1.00 0.00 H new ATOM 0 HE3 LYS B 818 2.127 -14.971 -0.420 1.00 0.00 H new ATOM 0 HZ1 LYS B 818 -0.320 -14.542 -0.545 1.00 0.00 H new ATOM 0 HZ2 LYS B 818 0.525 -13.311 0.264 1.00 0.00 H new ATOM 0 HZ3 LYS B 818 0.001 -13.073 -1.334 1.00 0.00 H new ATOM 1951 N PHE B 819 4.496 -9.736 -4.995 1.00 0.00 N ATOM 1952 CA PHE B 819 5.391 -9.116 -6.013 1.00 0.00 C ATOM 1953 C PHE B 819 6.181 -7.953 -5.407 1.00 0.00 C ATOM 1954 O PHE B 819 7.396 -7.943 -5.430 1.00 0.00 O ATOM 1955 CB PHE B 819 4.454 -8.614 -7.111 1.00 0.00 C ATOM 1956 CG PHE B 819 4.595 -9.499 -8.328 1.00 0.00 C ATOM 1957 CD1 PHE B 819 5.659 -9.302 -9.217 1.00 0.00 C ATOM 1958 CD2 PHE B 819 3.664 -10.516 -8.565 1.00 0.00 C ATOM 1959 CE1 PHE B 819 5.790 -10.122 -10.344 1.00 0.00 C ATOM 1960 CE2 PHE B 819 3.795 -11.336 -9.692 1.00 0.00 C ATOM 1961 CZ PHE B 819 4.858 -11.139 -10.582 1.00 0.00 C ATOM 0 H PHE B 819 3.497 -9.612 -5.160 1.00 0.00 H new ATOM 0 HA PHE B 819 6.127 -9.825 -6.393 1.00 0.00 H new ATOM 0 HB2 PHE B 819 3.423 -8.623 -6.758 1.00 0.00 H new ATOM 0 HB3 PHE B 819 4.694 -7.582 -7.367 1.00 0.00 H new ATOM 0 HD1 PHE B 819 6.378 -8.518 -9.033 1.00 0.00 H new ATOM 0 HD2 PHE B 819 2.844 -10.668 -7.879 1.00 0.00 H new ATOM 0 HE1 PHE B 819 6.610 -9.970 -11.030 1.00 0.00 H new ATOM 0 HE2 PHE B 819 3.076 -12.121 -9.875 1.00 0.00 H new ATOM 0 HZ PHE B 819 4.959 -11.771 -11.452 1.00 0.00 H new ATOM 1971 N PHE B 820 5.510 -6.972 -4.862 1.00 0.00 N ATOM 1972 CA PHE B 820 6.245 -5.822 -4.259 1.00 0.00 C ATOM 1973 C PHE B 820 7.271 -6.342 -3.236 1.00 0.00 C ATOM 1974 O PHE B 820 8.253 -5.692 -2.939 1.00 0.00 O ATOM 1975 CB PHE B 820 5.141 -4.926 -3.632 1.00 0.00 C ATOM 1976 CG PHE B 820 5.086 -5.045 -2.120 1.00 0.00 C ATOM 1977 CD1 PHE B 820 4.548 -6.191 -1.526 1.00 0.00 C ATOM 1978 CD2 PHE B 820 5.585 -4.010 -1.319 1.00 0.00 C ATOM 1979 CE1 PHE B 820 4.503 -6.302 -0.131 1.00 0.00 C ATOM 1980 CE2 PHE B 820 5.540 -4.120 0.075 1.00 0.00 C ATOM 1981 CZ PHE B 820 4.999 -5.266 0.670 1.00 0.00 C ATOM 0 H PHE B 820 4.493 -6.917 -4.809 1.00 0.00 H new ATOM 0 HA PHE B 820 6.826 -5.246 -4.979 1.00 0.00 H new ATOM 0 HB2 PHE B 820 5.322 -3.887 -3.905 1.00 0.00 H new ATOM 0 HB3 PHE B 820 4.173 -5.201 -4.050 1.00 0.00 H new ATOM 0 HD1 PHE B 820 4.167 -6.991 -2.144 1.00 0.00 H new ATOM 0 HD2 PHE B 820 6.005 -3.127 -1.778 1.00 0.00 H new ATOM 0 HE1 PHE B 820 4.086 -7.187 0.327 1.00 0.00 H new ATOM 0 HE2 PHE B 820 5.923 -3.321 0.692 1.00 0.00 H new ATOM 0 HZ PHE B 820 4.964 -5.351 1.746 1.00 0.00 H new ATOM 1991 N PHE B 821 7.047 -7.516 -2.710 1.00 0.00 N ATOM 1992 CA PHE B 821 8.011 -8.094 -1.729 1.00 0.00 C ATOM 1993 C PHE B 821 9.314 -8.460 -2.438 1.00 0.00 C ATOM 1994 O PHE B 821 10.386 -8.054 -2.038 1.00 0.00 O ATOM 1995 CB PHE B 821 7.325 -9.350 -1.190 1.00 0.00 C ATOM 1996 CG PHE B 821 7.398 -9.353 0.318 1.00 0.00 C ATOM 1997 CD1 PHE B 821 8.579 -9.742 0.961 1.00 0.00 C ATOM 1998 CD2 PHE B 821 6.285 -8.964 1.074 1.00 0.00 C ATOM 1999 CE1 PHE B 821 8.648 -9.744 2.359 1.00 0.00 C ATOM 2000 CE2 PHE B 821 6.354 -8.965 2.473 1.00 0.00 C ATOM 2001 CZ PHE B 821 7.535 -9.356 3.115 1.00 0.00 C ATOM 0 H PHE B 821 6.237 -8.101 -2.917 1.00 0.00 H new ATOM 0 HA PHE B 821 8.262 -7.395 -0.931 1.00 0.00 H new ATOM 0 HB2 PHE B 821 6.285 -9.377 -1.515 1.00 0.00 H new ATOM 0 HB3 PHE B 821 7.808 -10.242 -1.590 1.00 0.00 H new ATOM 0 HD1 PHE B 821 9.438 -10.041 0.378 1.00 0.00 H new ATOM 0 HD2 PHE B 821 5.374 -8.663 0.578 1.00 0.00 H new ATOM 0 HE1 PHE B 821 9.559 -10.045 2.854 1.00 0.00 H new ATOM 0 HE2 PHE B 821 5.496 -8.664 3.056 1.00 0.00 H new ATOM 0 HZ PHE B 821 7.588 -9.358 4.194 1.00 0.00 H new ATOM 2011 N SER B 822 9.232 -9.212 -3.505 1.00 0.00 N ATOM 2012 CA SER B 822 10.467 -9.559 -4.265 1.00 0.00 C ATOM 2013 C SER B 822 11.210 -8.276 -4.628 1.00 0.00 C ATOM 2014 O SER B 822 12.422 -8.230 -4.652 1.00 0.00 O ATOM 2015 CB SER B 822 9.971 -10.268 -5.525 1.00 0.00 C ATOM 2016 OG SER B 822 9.419 -11.528 -5.173 1.00 0.00 O ATOM 0 H SER B 822 8.366 -9.599 -3.881 1.00 0.00 H new ATOM 0 HA SER B 822 11.153 -10.187 -3.696 1.00 0.00 H new ATOM 0 HB2 SER B 822 9.220 -9.658 -6.027 1.00 0.00 H new ATOM 0 HB3 SER B 822 10.794 -10.403 -6.227 1.00 0.00 H new ATOM 0 HG SER B 822 9.099 -11.982 -5.980 1.00 0.00 H new ATOM 2022 N LYS B 823 10.485 -7.220 -4.863 1.00 0.00 N ATOM 2023 CA LYS B 823 11.141 -5.926 -5.174 1.00 0.00 C ATOM 2024 C LYS B 823 11.869 -5.414 -3.941 1.00 0.00 C ATOM 2025 O LYS B 823 13.074 -5.377 -3.903 1.00 0.00 O ATOM 2026 CB LYS B 823 10.004 -4.976 -5.541 1.00 0.00 C ATOM 2027 CG LYS B 823 9.496 -5.285 -6.955 1.00 0.00 C ATOM 2028 CD LYS B 823 10.629 -5.136 -7.981 1.00 0.00 C ATOM 2029 CE LYS B 823 11.299 -3.766 -7.830 1.00 0.00 C ATOM 2030 NZ LYS B 823 12.099 -3.593 -9.075 1.00 0.00 N ATOM 0 H LYS B 823 9.465 -7.199 -4.853 1.00 0.00 H new ATOM 0 HA LYS B 823 11.871 -6.016 -5.978 1.00 0.00 H new ATOM 0 HB2 LYS B 823 9.190 -5.076 -4.823 1.00 0.00 H new ATOM 0 HB3 LYS B 823 10.350 -3.944 -5.488 1.00 0.00 H new ATOM 0 HG2 LYS B 823 9.097 -6.299 -6.990 1.00 0.00 H new ATOM 0 HG3 LYS B 823 8.678 -4.611 -7.209 1.00 0.00 H new ATOM 0 HD2 LYS B 823 11.365 -5.927 -7.839 1.00 0.00 H new ATOM 0 HD3 LYS B 823 10.233 -5.247 -8.990 1.00 0.00 H new ATOM 0 HE2 LYS B 823 10.558 -2.973 -7.723 1.00 0.00 H new ATOM 0 HE3 LYS B 823 11.933 -3.732 -6.944 1.00 0.00 H new ATOM 0 HZ1 LYS B 823 12.589 -2.676 -9.048 1.00 0.00 H new ATOM 0 HZ2 LYS B 823 12.800 -4.358 -9.147 1.00 0.00 H new ATOM 0 HZ3 LYS B 823 11.467 -3.624 -9.901 1.00 0.00 H new ATOM 2044 N ILE B 824 11.147 -5.046 -2.916 1.00 0.00 N ATOM 2045 CA ILE B 824 11.813 -4.536 -1.683 1.00 0.00 C ATOM 2046 C ILE B 824 12.922 -5.494 -1.233 1.00 0.00 C ATOM 2047 O ILE B 824 14.011 -5.076 -0.890 1.00 0.00 O ATOM 2048 CB ILE B 824 10.701 -4.438 -0.633 1.00 0.00 C ATOM 2049 CG1 ILE B 824 10.061 -5.798 -0.390 1.00 0.00 C ATOM 2050 CG2 ILE B 824 9.637 -3.459 -1.121 1.00 0.00 C ATOM 2051 CD1 ILE B 824 8.983 -5.644 0.684 1.00 0.00 C ATOM 0 H ILE B 824 10.128 -5.076 -2.879 1.00 0.00 H new ATOM 0 HA ILE B 824 12.293 -3.571 -1.845 1.00 0.00 H new ATOM 0 HB ILE B 824 11.135 -4.088 0.304 1.00 0.00 H new ATOM 0 HG12 ILE B 824 9.624 -6.181 -1.312 1.00 0.00 H new ATOM 0 HG13 ILE B 824 10.814 -6.519 -0.070 1.00 0.00 H new ATOM 0 HG21 ILE B 824 8.843 -3.385 -0.378 1.00 0.00 H new ATOM 0 HG22 ILE B 824 10.087 -2.477 -1.271 1.00 0.00 H new ATOM 0 HG23 ILE B 824 9.220 -3.814 -2.063 1.00 0.00 H new ATOM 0 HD11 ILE B 824 8.514 -6.610 0.870 1.00 0.00 H new ATOM 0 HD12 ILE B 824 9.437 -5.277 1.605 1.00 0.00 H new ATOM 0 HD13 ILE B 824 8.229 -4.934 0.343 1.00 0.00 H new ATOM 2063 N LYS B 825 12.682 -6.775 -1.276 1.00 0.00 N ATOM 2064 CA LYS B 825 13.752 -7.730 -0.881 1.00 0.00 C ATOM 2065 C LYS B 825 14.977 -7.501 -1.760 1.00 0.00 C ATOM 2066 O LYS B 825 16.099 -7.467 -1.295 1.00 0.00 O ATOM 2067 CB LYS B 825 13.166 -9.118 -1.129 1.00 0.00 C ATOM 2068 CG LYS B 825 13.909 -10.135 -0.264 1.00 0.00 C ATOM 2069 CD LYS B 825 14.455 -11.258 -1.149 1.00 0.00 C ATOM 2070 CE LYS B 825 15.676 -11.889 -0.477 1.00 0.00 C ATOM 2071 NZ LYS B 825 15.167 -12.423 0.818 1.00 0.00 N ATOM 0 H LYS B 825 11.800 -7.198 -1.565 1.00 0.00 H new ATOM 0 HA LYS B 825 14.062 -7.609 0.157 1.00 0.00 H new ATOM 0 HB2 LYS B 825 12.103 -9.126 -0.889 1.00 0.00 H new ATOM 0 HB3 LYS B 825 13.257 -9.382 -2.183 1.00 0.00 H new ATOM 0 HG2 LYS B 825 14.726 -9.647 0.268 1.00 0.00 H new ATOM 0 HG3 LYS B 825 13.238 -10.546 0.490 1.00 0.00 H new ATOM 0 HD2 LYS B 825 13.686 -12.013 -1.313 1.00 0.00 H new ATOM 0 HD3 LYS B 825 14.728 -10.864 -2.128 1.00 0.00 H new ATOM 0 HE2 LYS B 825 16.100 -12.683 -1.092 1.00 0.00 H new ATOM 0 HE3 LYS B 825 16.464 -11.153 -0.319 1.00 0.00 H new ATOM 0 HZ1 LYS B 825 15.805 -13.169 1.161 1.00 0.00 H new ATOM 0 HZ2 LYS B 825 15.125 -11.655 1.518 1.00 0.00 H new ATOM 0 HZ3 LYS B 825 14.215 -12.818 0.680 1.00 0.00 H new ATOM 2085 N GLU B 826 14.759 -7.321 -3.030 1.00 0.00 N ATOM 2086 CA GLU B 826 15.894 -7.045 -3.955 1.00 0.00 C ATOM 2087 C GLU B 826 16.286 -5.564 -3.868 1.00 0.00 C ATOM 2088 O GLU B 826 17.393 -5.182 -4.191 1.00 0.00 O ATOM 2089 CB GLU B 826 15.356 -7.387 -5.345 1.00 0.00 C ATOM 2090 CG GLU B 826 14.953 -8.865 -5.382 1.00 0.00 C ATOM 2091 CD GLU B 826 16.036 -9.671 -6.101 1.00 0.00 C ATOM 2092 OE1 GLU B 826 16.010 -9.705 -7.321 1.00 0.00 O ATOM 2093 OE2 GLU B 826 16.870 -10.244 -5.420 1.00 0.00 O ATOM 0 H GLU B 826 13.840 -7.353 -3.471 1.00 0.00 H new ATOM 0 HA GLU B 826 16.786 -7.623 -3.714 1.00 0.00 H new ATOM 0 HB2 GLU B 826 14.497 -6.758 -5.580 1.00 0.00 H new ATOM 0 HB3 GLU B 826 16.115 -7.186 -6.101 1.00 0.00 H new ATOM 0 HG2 GLU B 826 14.817 -9.241 -4.368 1.00 0.00 H new ATOM 0 HG3 GLU B 826 13.998 -8.980 -5.895 1.00 0.00 H new ATOM 2100 N ALA B 827 15.390 -4.737 -3.395 1.00 0.00 N ATOM 2101 CA ALA B 827 15.689 -3.284 -3.264 1.00 0.00 C ATOM 2102 C ALA B 827 16.413 -2.999 -1.949 1.00 0.00 C ATOM 2103 O ALA B 827 16.557 -1.860 -1.551 1.00 0.00 O ATOM 2104 CB ALA B 827 14.313 -2.609 -3.246 1.00 0.00 C ATOM 0 H ALA B 827 14.456 -5.011 -3.092 1.00 0.00 H new ATOM 0 HA ALA B 827 16.330 -2.926 -4.069 1.00 0.00 H new ATOM 0 HB1 ALA B 827 14.438 -1.530 -3.151 1.00 0.00 H new ATOM 0 HB2 ALA B 827 13.786 -2.833 -4.173 1.00 0.00 H new ATOM 0 HB3 ALA B 827 13.735 -2.983 -2.401 1.00 0.00 H new ATOM 2110 N GLY B 828 16.845 -4.015 -1.253 1.00 0.00 N ATOM 2111 CA GLY B 828 17.503 -3.776 0.055 1.00 0.00 C ATOM 2112 C GLY B 828 16.502 -3.075 0.971 1.00 0.00 C ATOM 2113 O GLY B 828 16.853 -2.222 1.762 1.00 0.00 O ATOM 0 H GLY B 828 16.770 -4.993 -1.534 1.00 0.00 H new ATOM 0 HA2 GLY B 828 17.826 -4.719 0.496 1.00 0.00 H new ATOM 0 HA3 GLY B 828 18.395 -3.162 -0.074 1.00 0.00 H new ATOM 2117 N LEU B 829 15.245 -3.403 0.838 1.00 0.00 N ATOM 2118 CA LEU B 829 14.212 -2.747 1.682 1.00 0.00 C ATOM 2119 C LEU B 829 13.893 -3.607 2.903 1.00 0.00 C ATOM 2120 O LEU B 829 13.764 -3.116 4.007 1.00 0.00 O ATOM 2121 CB LEU B 829 12.979 -2.655 0.787 1.00 0.00 C ATOM 2122 CG LEU B 829 12.835 -1.257 0.183 1.00 0.00 C ATOM 2123 CD1 LEU B 829 11.492 -1.163 -0.517 1.00 0.00 C ATOM 2124 CD2 LEU B 829 12.878 -0.201 1.282 1.00 0.00 C ATOM 0 H LEU B 829 14.891 -4.098 0.180 1.00 0.00 H new ATOM 0 HA LEU B 829 14.543 -1.775 2.047 1.00 0.00 H new ATOM 0 HB2 LEU B 829 13.051 -3.393 -0.012 1.00 0.00 H new ATOM 0 HB3 LEU B 829 12.088 -2.897 1.366 1.00 0.00 H new ATOM 0 HG LEU B 829 13.652 -1.086 -0.518 1.00 0.00 H new ATOM 0 HD11 LEU B 829 11.377 -0.170 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU B 829 11.440 -1.913 -1.306 1.00 0.00 H new ATOM 0 HD13 LEU B 829 10.693 -1.338 0.204 1.00 0.00 H new ATOM 0 HD21 LEU B 829 12.775 0.790 0.839 1.00 0.00 H new ATOM 0 HD22 LEU B 829 12.061 -0.372 1.983 1.00 0.00 H new ATOM 0 HD23 LEU B 829 13.829 -0.264 1.811 1.00 0.00 H new ATOM 2136 N ILE B 830 13.735 -4.887 2.704 1.00 0.00 N ATOM 2137 CA ILE B 830 13.372 -5.781 3.842 1.00 0.00 C ATOM 2138 C ILE B 830 14.610 -6.446 4.430 1.00 0.00 C ATOM 2139 O ILE B 830 14.602 -6.917 5.550 1.00 0.00 O ATOM 2140 CB ILE B 830 12.432 -6.818 3.226 1.00 0.00 C ATOM 2141 CG1 ILE B 830 11.268 -6.089 2.566 1.00 0.00 C ATOM 2142 CG2 ILE B 830 11.895 -7.738 4.322 1.00 0.00 C ATOM 2143 CD1 ILE B 830 10.556 -5.235 3.617 1.00 0.00 C ATOM 0 H ILE B 830 13.841 -5.353 1.803 1.00 0.00 H new ATOM 0 HA ILE B 830 12.907 -5.237 4.664 1.00 0.00 H new ATOM 0 HB ILE B 830 12.970 -7.414 2.488 1.00 0.00 H new ATOM 0 HG12 ILE B 830 11.630 -5.461 1.752 1.00 0.00 H new ATOM 0 HG13 ILE B 830 10.573 -6.806 2.130 1.00 0.00 H new ATOM 0 HG21 ILE B 830 11.225 -8.476 3.881 1.00 0.00 H new ATOM 0 HG22 ILE B 830 12.726 -8.247 4.809 1.00 0.00 H new ATOM 0 HG23 ILE B 830 11.350 -7.147 5.058 1.00 0.00 H new ATOM 0 HD11 ILE B 830 9.721 -4.709 3.154 1.00 0.00 H new ATOM 0 HD12 ILE B 830 10.183 -5.877 4.415 1.00 0.00 H new ATOM 0 HD13 ILE B 830 11.256 -4.510 4.032 1.00 0.00 H new