USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 305 LYS NZ :NH3+ 151:sc= -0.268 (180deg=-1.42!) USER MOD Set 1.2: A 308 GLN : amide:sc= -0.0677 K(o=-0.34,f=-3.2!) USER MOD Single : A 304 SER OG : rot 180:sc= -0.576 USER MOD Single : A 306 MET CE :methyl 173:sc= -0.152 (180deg=-0.27) USER MOD Single : A 307 ASN : amide:sc= -0.701 K(o=-0.7,f=-3!) USER MOD Single : B 594 SER OG : rot 180:sc= 0 USER MOD Single : B 599 SER OG : rot 180:sc= 0 USER MOD Single : B 606 THR OG1 : rot -3:sc= 0.397 USER MOD Single : B 620 CYS SG : rot 75:sc= -0.798 USER MOD Single : B 621 SER OG : rot -21:sc= 0.87 USER MOD Single : B 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 626 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 628 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 630 SER OG : rot 180:sc= 0 USER MOD Single : B 637 ASN : amide:sc= -5.01! C(o=-5!,f=-12!) USER MOD Single : B 642 GLN : amide:sc=-0.00394 K(o=-0.0039,f=-1.7!) USER MOD Single : B 646 ASN : amide:sc= -0.412 K(o=-0.41,f=-2.3!) USER MOD Single : B 647 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 648 HIS : no HE2:sc= -0.574 K(o=-0.57,f=-2) USER MOD Single : B 649 MET CE :methyl -177:sc= -0.703 (180deg=-0.711) USER MOD Single : B 650 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 338 N GLU A 301 17.652 -3.539 -1.398 1.00 0.00 N ATOM 339 CA GLU A 301 16.908 -4.496 -2.263 1.00 0.00 C ATOM 340 C GLU A 301 15.412 -4.224 -2.144 1.00 0.00 C ATOM 341 O GLU A 301 14.647 -4.478 -3.052 1.00 0.00 O ATOM 342 CB GLU A 301 17.192 -5.920 -1.783 1.00 0.00 C ATOM 343 CG GLU A 301 18.695 -6.195 -1.859 1.00 0.00 C ATOM 344 CD GLU A 301 18.979 -7.619 -1.381 1.00 0.00 C ATOM 345 OE1 GLU A 301 18.160 -8.486 -1.644 1.00 0.00 O ATOM 346 OE2 GLU A 301 20.009 -7.821 -0.760 1.00 0.00 O ATOM 0 HA GLU A 301 17.223 -4.379 -3.300 1.00 0.00 H new ATOM 0 HB2 GLU A 301 16.840 -6.047 -0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 301 16.649 -6.637 -2.398 1.00 0.00 H new ATOM 0 HG2 GLU A 301 19.047 -6.067 -2.882 1.00 0.00 H new ATOM 0 HG3 GLU A 301 19.238 -5.478 -1.243 1.00 0.00 H new ATOM 353 N PHE A 302 14.993 -3.707 -1.024 1.00 0.00 N ATOM 354 CA PHE A 302 13.550 -3.418 -0.839 1.00 0.00 C ATOM 355 C PHE A 302 13.123 -2.354 -1.861 1.00 0.00 C ATOM 356 O PHE A 302 12.293 -2.594 -2.714 1.00 0.00 O ATOM 357 CB PHE A 302 13.310 -2.917 0.606 1.00 0.00 C ATOM 358 CG PHE A 302 12.041 -3.523 1.179 1.00 0.00 C ATOM 359 CD1 PHE A 302 12.075 -4.803 1.746 1.00 0.00 C ATOM 360 CD2 PHE A 302 10.838 -2.804 1.149 1.00 0.00 C ATOM 361 CE1 PHE A 302 10.909 -5.365 2.280 1.00 0.00 C ATOM 362 CE2 PHE A 302 9.671 -3.367 1.685 1.00 0.00 C ATOM 363 CZ PHE A 302 9.708 -4.648 2.250 1.00 0.00 C ATOM 0 H PHE A 302 15.589 -3.473 -0.230 1.00 0.00 H new ATOM 0 HA PHE A 302 12.958 -4.319 -0.996 1.00 0.00 H new ATOM 0 HB2 PHE A 302 14.161 -3.181 1.234 1.00 0.00 H new ATOM 0 HB3 PHE A 302 13.235 -1.830 0.612 1.00 0.00 H new ATOM 0 HD1 PHE A 302 13.002 -5.357 1.771 1.00 0.00 H new ATOM 0 HD2 PHE A 302 10.810 -1.816 0.713 1.00 0.00 H new ATOM 0 HE1 PHE A 302 10.937 -6.353 2.715 1.00 0.00 H new ATOM 0 HE2 PHE A 302 8.744 -2.813 1.662 1.00 0.00 H new ATOM 0 HZ PHE A 302 8.809 -5.082 2.663 1.00 0.00 H new ATOM 373 N CYS A 303 13.690 -1.182 -1.774 1.00 0.00 N ATOM 374 CA CYS A 303 13.326 -0.094 -2.727 1.00 0.00 C ATOM 375 C CYS A 303 14.071 -0.283 -4.053 1.00 0.00 C ATOM 376 O CYS A 303 13.491 -0.220 -5.118 1.00 0.00 O ATOM 377 CB CYS A 303 13.725 1.254 -2.123 1.00 0.00 C ATOM 378 SG CYS A 303 12.627 1.652 -0.740 1.00 0.00 S ATOM 0 H CYS A 303 14.394 -0.929 -1.080 1.00 0.00 H new ATOM 0 HA CYS A 303 12.252 -0.125 -2.910 1.00 0.00 H new ATOM 0 HB2 CYS A 303 14.759 1.218 -1.780 1.00 0.00 H new ATOM 0 HB3 CYS A 303 13.668 2.035 -2.882 1.00 0.00 H new ATOM 383 N SER A 304 15.356 -0.488 -3.991 1.00 0.00 N ATOM 384 CA SER A 304 16.155 -0.653 -5.240 1.00 0.00 C ATOM 385 C SER A 304 15.484 -1.652 -6.187 1.00 0.00 C ATOM 386 O SER A 304 15.638 -1.566 -7.393 1.00 0.00 O ATOM 387 CB SER A 304 17.554 -1.160 -4.882 1.00 0.00 C ATOM 388 OG SER A 304 17.521 -2.575 -4.756 1.00 0.00 O ATOM 0 H SER A 304 15.892 -0.549 -3.125 1.00 0.00 H new ATOM 0 HA SER A 304 16.221 0.313 -5.741 1.00 0.00 H new ATOM 0 HB2 SER A 304 18.268 -0.868 -5.653 1.00 0.00 H new ATOM 0 HB3 SER A 304 17.890 -0.708 -3.949 1.00 0.00 H new ATOM 0 HG SER A 304 18.416 -2.904 -4.528 1.00 0.00 H new ATOM 394 N LYS A 305 14.700 -2.572 -5.667 1.00 0.00 N ATOM 395 CA LYS A 305 13.998 -3.550 -6.568 1.00 0.00 C ATOM 396 C LYS A 305 12.531 -3.150 -6.678 1.00 0.00 C ATOM 397 O LYS A 305 11.831 -3.559 -7.593 1.00 0.00 O ATOM 398 CB LYS A 305 14.133 -4.982 -6.047 1.00 0.00 C ATOM 399 CG LYS A 305 15.618 -5.335 -5.896 1.00 0.00 C ATOM 400 CD LYS A 305 15.777 -6.658 -5.133 1.00 0.00 C ATOM 401 CE LYS A 305 15.506 -7.842 -6.067 1.00 0.00 C ATOM 402 NZ LYS A 305 16.420 -7.771 -7.243 1.00 0.00 N ATOM 0 H LYS A 305 14.517 -2.688 -4.670 1.00 0.00 H new ATOM 0 HA LYS A 305 14.461 -3.524 -7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 305 13.626 -5.080 -5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 305 13.651 -5.677 -6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 305 16.081 -5.417 -6.879 1.00 0.00 H new ATOM 0 HG3 LYS A 305 16.136 -4.537 -5.365 1.00 0.00 H new ATOM 0 HD2 LYS A 305 16.784 -6.731 -4.723 1.00 0.00 H new ATOM 0 HD3 LYS A 305 15.087 -6.685 -4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 305 15.656 -8.781 -5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 305 14.468 -7.826 -6.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 305 16.607 -8.731 -7.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 305 15.975 -7.206 -7.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 305 17.316 -7.326 -6.960 1.00 0.00 H new ATOM 416 N MET A 306 12.063 -2.294 -5.816 1.00 0.00 N ATOM 417 CA MET A 306 10.663 -1.843 -5.956 1.00 0.00 C ATOM 418 C MET A 306 10.612 -0.917 -7.163 1.00 0.00 C ATOM 419 O MET A 306 9.591 -0.790 -7.809 1.00 0.00 O ATOM 420 CB MET A 306 10.206 -1.092 -4.697 1.00 0.00 C ATOM 421 CG MET A 306 8.685 -0.880 -4.730 1.00 0.00 C ATOM 422 SD MET A 306 7.858 -2.342 -4.058 1.00 0.00 S ATOM 423 CE MET A 306 7.934 -1.881 -2.310 1.00 0.00 C ATOM 0 H MET A 306 12.583 -1.895 -5.034 1.00 0.00 H new ATOM 0 HA MET A 306 9.998 -2.697 -6.087 1.00 0.00 H new ATOM 0 HB2 MET A 306 10.483 -1.657 -3.807 1.00 0.00 H new ATOM 0 HB3 MET A 306 10.714 -0.129 -4.634 1.00 0.00 H new ATOM 0 HG2 MET A 306 8.417 0.002 -4.148 1.00 0.00 H new ATOM 0 HG3 MET A 306 8.354 -0.700 -5.753 1.00 0.00 H new ATOM 0 HE1 MET A 306 7.362 -2.597 -1.720 1.00 0.00 H new ATOM 0 HE2 MET A 306 8.972 -1.883 -1.978 1.00 0.00 H new ATOM 0 HE3 MET A 306 7.513 -0.884 -2.178 1.00 0.00 H new ATOM 433 N ASN A 307 11.720 -0.283 -7.509 1.00 0.00 N ATOM 434 CA ASN A 307 11.703 0.602 -8.713 1.00 0.00 C ATOM 435 C ASN A 307 11.982 -0.295 -9.911 1.00 0.00 C ATOM 436 O ASN A 307 11.361 -0.179 -10.944 1.00 0.00 O ATOM 437 CB ASN A 307 12.774 1.689 -8.596 1.00 0.00 C ATOM 438 CG ASN A 307 12.830 2.491 -9.897 1.00 0.00 C ATOM 439 OD1 ASN A 307 11.952 2.384 -10.729 1.00 0.00 O ATOM 440 ND2 ASN A 307 13.835 3.296 -10.110 1.00 0.00 N ATOM 0 H ASN A 307 12.612 -0.343 -7.017 1.00 0.00 H new ATOM 0 HA ASN A 307 10.743 1.108 -8.815 1.00 0.00 H new ATOM 0 HB2 ASN A 307 12.548 2.349 -7.759 1.00 0.00 H new ATOM 0 HB3 ASN A 307 13.745 1.238 -8.392 1.00 0.00 H new ATOM 0 HD21 ASN A 307 13.883 3.835 -10.975 1.00 0.00 H new ATOM 0 HD22 ASN A 307 14.573 3.386 -9.412 1.00 0.00 H new ATOM 447 N GLN A 308 12.921 -1.216 -9.744 1.00 0.00 N ATOM 448 CA GLN A 308 13.272 -2.182 -10.843 1.00 0.00 C ATOM 449 C GLN A 308 12.011 -2.541 -11.625 1.00 0.00 C ATOM 450 O GLN A 308 12.032 -2.683 -12.830 1.00 0.00 O ATOM 451 CB GLN A 308 13.851 -3.462 -10.232 1.00 0.00 C ATOM 452 CG GLN A 308 14.037 -4.521 -11.324 1.00 0.00 C ATOM 453 CD GLN A 308 14.936 -5.644 -10.801 1.00 0.00 C ATOM 454 OE1 GLN A 308 15.589 -5.493 -9.788 1.00 0.00 O ATOM 455 NE2 GLN A 308 14.996 -6.773 -11.453 1.00 0.00 N ATOM 0 H GLN A 308 13.459 -1.336 -8.886 1.00 0.00 H new ATOM 0 HA GLN A 308 14.004 -1.721 -11.506 1.00 0.00 H new ATOM 0 HB2 GLN A 308 14.807 -3.248 -9.754 1.00 0.00 H new ATOM 0 HB3 GLN A 308 13.184 -3.839 -9.456 1.00 0.00 H new ATOM 0 HG2 GLN A 308 13.069 -4.925 -11.622 1.00 0.00 H new ATOM 0 HG3 GLN A 308 14.481 -4.069 -12.211 1.00 0.00 H new ATOM 0 HE21 GLN A 308 14.448 -6.900 -12.304 1.00 0.00 H new ATOM 0 HE22 GLN A 308 15.591 -7.528 -11.112 1.00 0.00 H new ATOM 464 N VAL A 309 10.900 -2.665 -10.944 1.00 0.00 N ATOM 465 CA VAL A 309 9.625 -2.988 -11.658 1.00 0.00 C ATOM 466 C VAL A 309 9.482 -2.060 -12.873 1.00 0.00 C ATOM 467 O VAL A 309 8.673 -2.284 -13.751 1.00 0.00 O ATOM 468 CB VAL A 309 8.433 -2.780 -10.717 1.00 0.00 C ATOM 469 CG1 VAL A 309 7.160 -3.299 -11.386 1.00 0.00 C ATOM 470 CG2 VAL A 309 8.670 -3.550 -9.419 1.00 0.00 C ATOM 0 H VAL A 309 10.819 -2.558 -9.933 1.00 0.00 H new ATOM 0 HA VAL A 309 9.645 -4.028 -11.984 1.00 0.00 H new ATOM 0 HB VAL A 309 8.324 -1.718 -10.498 1.00 0.00 H new ATOM 0 HG11 VAL A 309 6.312 -3.152 -10.718 1.00 0.00 H new ATOM 0 HG12 VAL A 309 6.989 -2.755 -12.315 1.00 0.00 H new ATOM 0 HG13 VAL A 309 7.270 -4.361 -11.603 1.00 0.00 H new ATOM 0 HG21 VAL A 309 7.823 -3.403 -8.749 1.00 0.00 H new ATOM 0 HG22 VAL A 309 8.777 -4.612 -9.640 1.00 0.00 H new ATOM 0 HG23 VAL A 309 9.579 -3.185 -8.940 1.00 0.00 H new ATOM 480 N CYS A 310 10.275 -1.022 -12.924 1.00 0.00 N ATOM 481 CA CYS A 310 10.213 -0.068 -14.069 1.00 0.00 C ATOM 482 C CYS A 310 11.067 -0.608 -15.224 1.00 0.00 C ATOM 483 O CYS A 310 10.933 -0.184 -16.355 1.00 0.00 O ATOM 484 CB CYS A 310 10.745 1.302 -13.609 1.00 0.00 C ATOM 485 SG CYS A 310 9.377 2.291 -12.966 1.00 0.00 S ATOM 0 H CYS A 310 10.970 -0.793 -12.213 1.00 0.00 H new ATOM 0 HA CYS A 310 9.184 0.043 -14.411 1.00 0.00 H new ATOM 0 HB2 CYS A 310 11.506 1.170 -12.840 1.00 0.00 H new ATOM 0 HB3 CYS A 310 11.221 1.818 -14.443 1.00 0.00 H new ATOM 490 N GLY A 311 11.937 -1.540 -14.951 1.00 0.00 N ATOM 491 CA GLY A 311 12.788 -2.103 -16.036 1.00 0.00 C ATOM 492 C GLY A 311 11.980 -3.124 -16.837 1.00 0.00 C ATOM 493 O GLY A 311 11.090 -3.769 -16.319 1.00 0.00 O ATOM 0 H GLY A 311 12.095 -1.936 -14.024 1.00 0.00 H new ATOM 0 HA2 GLY A 311 13.137 -1.305 -16.691 1.00 0.00 H new ATOM 0 HA3 GLY A 311 13.673 -2.576 -15.611 1.00 0.00 H new ATOM 928 N GLY B 593 -7.372 7.531 -1.281 1.00 0.00 N ATOM 929 CA GLY B 593 -6.148 6.694 -1.114 1.00 0.00 C ATOM 930 C GLY B 593 -4.922 7.499 -1.545 1.00 0.00 C ATOM 931 O GLY B 593 -4.797 7.889 -2.689 1.00 0.00 O ATOM 0 HA2 GLY B 593 -6.046 6.383 -0.074 1.00 0.00 H new ATOM 0 HA3 GLY B 593 -6.230 5.786 -1.712 1.00 0.00 H new ATOM 935 N SER B 594 -4.017 7.759 -0.640 1.00 0.00 N ATOM 936 CA SER B 594 -2.806 8.546 -1.006 1.00 0.00 C ATOM 937 C SER B 594 -1.787 7.653 -1.702 1.00 0.00 C ATOM 938 O SER B 594 -1.868 6.442 -1.673 1.00 0.00 O ATOM 939 CB SER B 594 -2.158 9.146 0.236 1.00 0.00 C ATOM 940 OG SER B 594 -3.020 10.129 0.794 1.00 0.00 O ATOM 0 H SER B 594 -4.064 7.461 0.334 1.00 0.00 H new ATOM 0 HA SER B 594 -3.119 9.347 -1.677 1.00 0.00 H new ATOM 0 HB2 SER B 594 -1.959 8.364 0.969 1.00 0.00 H new ATOM 0 HB3 SER B 594 -1.198 9.593 -0.022 1.00 0.00 H new ATOM 0 HG SER B 594 -2.604 10.513 1.594 1.00 0.00 H new ATOM 946 N LEU B 595 -0.819 8.264 -2.320 1.00 0.00 N ATOM 947 CA LEU B 595 0.244 7.506 -3.030 1.00 0.00 C ATOM 948 C LEU B 595 1.441 7.369 -2.093 1.00 0.00 C ATOM 949 O LEU B 595 1.926 8.349 -1.561 1.00 0.00 O ATOM 950 CB LEU B 595 0.663 8.307 -4.261 1.00 0.00 C ATOM 951 CG LEU B 595 -0.393 8.187 -5.373 1.00 0.00 C ATOM 952 CD1 LEU B 595 -0.482 6.737 -5.888 1.00 0.00 C ATOM 953 CD2 LEU B 595 -1.760 8.636 -4.835 1.00 0.00 C ATOM 0 H LEU B 595 -0.718 9.278 -2.364 1.00 0.00 H new ATOM 0 HA LEU B 595 -0.114 6.521 -3.328 1.00 0.00 H new ATOM 0 HB2 LEU B 595 0.797 9.355 -3.991 1.00 0.00 H new ATOM 0 HB3 LEU B 595 1.625 7.946 -4.626 1.00 0.00 H new ATOM 0 HG LEU B 595 -0.099 8.828 -6.204 1.00 0.00 H new ATOM 0 HD11 LEU B 595 -1.235 6.676 -6.674 1.00 0.00 H new ATOM 0 HD12 LEU B 595 0.485 6.433 -6.288 1.00 0.00 H new ATOM 0 HD13 LEU B 595 -0.759 6.076 -5.067 1.00 0.00 H new ATOM 0 HD21 LEU B 595 -2.507 8.551 -5.624 1.00 0.00 H new ATOM 0 HD22 LEU B 595 -2.046 8.004 -3.994 1.00 0.00 H new ATOM 0 HD23 LEU B 595 -1.698 9.673 -4.505 1.00 0.00 H new ATOM 965 N LEU B 596 1.923 6.168 -1.876 1.00 0.00 N ATOM 966 CA LEU B 596 3.095 5.974 -0.960 1.00 0.00 C ATOM 967 C LEU B 596 4.168 5.129 -1.661 1.00 0.00 C ATOM 968 O LEU B 596 3.877 4.318 -2.516 1.00 0.00 O ATOM 969 CB LEU B 596 2.619 5.284 0.328 1.00 0.00 C ATOM 970 CG LEU B 596 1.293 5.932 0.825 1.00 0.00 C ATOM 971 CD1 LEU B 596 0.089 5.124 0.331 1.00 0.00 C ATOM 972 CD2 LEU B 596 1.265 5.962 2.359 1.00 0.00 C ATOM 0 H LEU B 596 1.556 5.313 -2.293 1.00 0.00 H new ATOM 0 HA LEU B 596 3.530 6.940 -0.706 1.00 0.00 H new ATOM 0 HB2 LEU B 596 2.466 4.220 0.145 1.00 0.00 H new ATOM 0 HB3 LEU B 596 3.385 5.368 1.099 1.00 0.00 H new ATOM 0 HG LEU B 596 1.241 6.947 0.432 1.00 0.00 H new ATOM 0 HD11 LEU B 596 -0.831 5.588 0.686 1.00 0.00 H new ATOM 0 HD12 LEU B 596 0.088 5.102 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU B 596 0.152 4.105 0.714 1.00 0.00 H new ATOM 0 HD21 LEU B 596 0.334 6.417 2.697 1.00 0.00 H new ATOM 0 HD22 LEU B 596 1.333 4.945 2.744 1.00 0.00 H new ATOM 0 HD23 LEU B 596 2.109 6.546 2.727 1.00 0.00 H new ATOM 984 N ARG B 597 5.417 5.339 -1.314 1.00 0.00 N ATOM 985 CA ARG B 597 6.533 4.577 -1.964 1.00 0.00 C ATOM 986 C ARG B 597 6.892 3.338 -1.125 1.00 0.00 C ATOM 987 O ARG B 597 6.115 2.885 -0.308 1.00 0.00 O ATOM 988 CB ARG B 597 7.769 5.493 -2.100 1.00 0.00 C ATOM 989 CG ARG B 597 7.319 6.958 -2.221 1.00 0.00 C ATOM 990 CD ARG B 597 6.310 7.119 -3.377 1.00 0.00 C ATOM 991 NE ARG B 597 6.597 8.389 -4.118 1.00 0.00 N ATOM 992 CZ ARG B 597 6.789 9.516 -3.482 1.00 0.00 C ATOM 993 NH1 ARG B 597 6.582 9.595 -2.197 1.00 0.00 N ATOM 994 NH2 ARG B 597 7.145 10.581 -4.146 1.00 0.00 N ATOM 0 H ARG B 597 5.713 6.009 -0.604 1.00 0.00 H new ATOM 0 HA ARG B 597 6.212 4.248 -2.952 1.00 0.00 H new ATOM 0 HB2 ARG B 597 8.419 5.373 -1.234 1.00 0.00 H new ATOM 0 HB3 ARG B 597 8.350 5.208 -2.977 1.00 0.00 H new ATOM 0 HG2 ARG B 597 6.864 7.283 -1.285 1.00 0.00 H new ATOM 0 HG3 ARG B 597 8.185 7.597 -2.394 1.00 0.00 H new ATOM 0 HD2 ARG B 597 6.378 6.267 -4.054 1.00 0.00 H new ATOM 0 HD3 ARG B 597 5.293 7.136 -2.986 1.00 0.00 H new ATOM 0 HE ARG B 597 6.644 8.375 -5.137 1.00 0.00 H new ATOM 0 HH11 ARG B 597 6.268 8.774 -1.680 1.00 0.00 H new ATOM 0 HH12 ARG B 597 6.734 10.478 -1.709 1.00 0.00 H new ATOM 0 HH21 ARG B 597 7.273 10.533 -5.157 1.00 0.00 H new ATOM 0 HH22 ARG B 597 7.296 11.462 -3.654 1.00 0.00 H new ATOM 1008 N CYS B 598 8.061 2.785 -1.335 1.00 0.00 N ATOM 1009 CA CYS B 598 8.470 1.570 -0.565 1.00 0.00 C ATOM 1010 C CYS B 598 8.755 1.940 0.893 1.00 0.00 C ATOM 1011 O CYS B 598 7.899 1.819 1.746 1.00 0.00 O ATOM 1012 CB CYS B 598 9.725 0.955 -1.195 1.00 0.00 C ATOM 1013 SG CYS B 598 10.909 2.257 -1.615 1.00 0.00 S ATOM 0 H CYS B 598 8.750 3.123 -2.007 1.00 0.00 H new ATOM 0 HA CYS B 598 7.657 0.844 -0.594 1.00 0.00 H new ATOM 0 HB2 CYS B 598 10.181 0.248 -0.502 1.00 0.00 H new ATOM 0 HB3 CYS B 598 9.455 0.395 -2.090 1.00 0.00 H new ATOM 1018 N SER B 599 9.951 2.388 1.189 1.00 0.00 N ATOM 1019 CA SER B 599 10.288 2.763 2.598 1.00 0.00 C ATOM 1020 C SER B 599 9.145 3.601 3.171 1.00 0.00 C ATOM 1021 O SER B 599 8.863 3.597 4.364 1.00 0.00 O ATOM 1022 CB SER B 599 11.586 3.584 2.604 1.00 0.00 C ATOM 1023 OG SER B 599 11.276 4.972 2.658 1.00 0.00 O ATOM 0 H SER B 599 10.708 2.510 0.516 1.00 0.00 H new ATOM 0 HA SER B 599 10.425 1.867 3.204 1.00 0.00 H new ATOM 0 HB2 SER B 599 12.200 3.305 3.460 1.00 0.00 H new ATOM 0 HB3 SER B 599 12.169 3.366 1.709 1.00 0.00 H new ATOM 0 HG SER B 599 12.106 5.493 2.663 1.00 0.00 H new ATOM 1029 N GLU B 600 8.472 4.312 2.311 1.00 0.00 N ATOM 1030 CA GLU B 600 7.336 5.146 2.761 1.00 0.00 C ATOM 1031 C GLU B 600 6.445 4.297 3.665 1.00 0.00 C ATOM 1032 O GLU B 600 5.884 4.752 4.648 1.00 0.00 O ATOM 1033 CB GLU B 600 6.534 5.587 1.527 1.00 0.00 C ATOM 1034 CG GLU B 600 5.691 6.822 1.868 1.00 0.00 C ATOM 1035 CD GLU B 600 6.604 8.031 2.087 1.00 0.00 C ATOM 1036 OE1 GLU B 600 7.657 8.072 1.472 1.00 0.00 O ATOM 1037 OE2 GLU B 600 6.234 8.894 2.865 1.00 0.00 O ATOM 0 H GLU B 600 8.665 4.348 1.310 1.00 0.00 H new ATOM 0 HA GLU B 600 7.691 6.022 3.303 1.00 0.00 H new ATOM 0 HB2 GLU B 600 7.212 5.814 0.704 1.00 0.00 H new ATOM 0 HB3 GLU B 600 5.888 4.775 1.193 1.00 0.00 H new ATOM 0 HG2 GLU B 600 4.988 7.028 1.061 1.00 0.00 H new ATOM 0 HG3 GLU B 600 5.101 6.634 2.765 1.00 0.00 H new ATOM 1044 N ILE B 601 6.299 3.042 3.307 1.00 0.00 N ATOM 1045 CA ILE B 601 5.432 2.155 4.107 1.00 0.00 C ATOM 1046 C ILE B 601 6.116 1.932 5.452 1.00 0.00 C ATOM 1047 O ILE B 601 5.478 1.815 6.471 1.00 0.00 O ATOM 1048 CB ILE B 601 5.215 0.817 3.340 1.00 0.00 C ATOM 1049 CG1 ILE B 601 3.879 0.860 2.581 1.00 0.00 C ATOM 1050 CG2 ILE B 601 5.186 -0.384 4.294 1.00 0.00 C ATOM 1051 CD1 ILE B 601 3.981 1.843 1.415 1.00 0.00 C ATOM 0 H ILE B 601 6.745 2.607 2.499 1.00 0.00 H new ATOM 0 HA ILE B 601 4.450 2.598 4.274 1.00 0.00 H new ATOM 0 HB ILE B 601 6.049 0.701 2.648 1.00 0.00 H new ATOM 0 HG12 ILE B 601 3.628 -0.134 2.211 1.00 0.00 H new ATOM 0 HG13 ILE B 601 3.077 1.161 3.254 1.00 0.00 H new ATOM 0 HG21 ILE B 601 5.033 -1.299 3.722 1.00 0.00 H new ATOM 0 HG22 ILE B 601 6.133 -0.445 4.830 1.00 0.00 H new ATOM 0 HG23 ILE B 601 4.372 -0.262 5.008 1.00 0.00 H new ATOM 0 HD11 ILE B 601 3.032 1.871 0.879 1.00 0.00 H new ATOM 0 HD12 ILE B 601 4.212 2.838 1.797 1.00 0.00 H new ATOM 0 HD13 ILE B 601 4.772 1.522 0.737 1.00 0.00 H new ATOM 1063 N TRP B 602 7.434 1.877 5.450 1.00 0.00 N ATOM 1064 CA TRP B 602 8.184 1.673 6.726 1.00 0.00 C ATOM 1065 C TRP B 602 7.556 2.577 7.771 1.00 0.00 C ATOM 1066 O TRP B 602 7.399 2.213 8.920 1.00 0.00 O ATOM 1067 CB TRP B 602 9.659 2.043 6.537 1.00 0.00 C ATOM 1068 CG TRP B 602 10.458 1.516 7.687 1.00 0.00 C ATOM 1069 CD1 TRP B 602 11.059 2.277 8.631 1.00 0.00 C ATOM 1070 CD2 TRP B 602 10.751 0.131 8.030 1.00 0.00 C ATOM 1071 NE1 TRP B 602 11.704 1.446 9.531 1.00 0.00 N ATOM 1072 CE2 TRP B 602 11.543 0.114 9.202 1.00 0.00 C ATOM 1073 CE3 TRP B 602 10.411 -1.101 7.442 1.00 0.00 C ATOM 1074 CZ2 TRP B 602 11.982 -1.082 9.771 1.00 0.00 C ATOM 1075 CZ3 TRP B 602 10.851 -2.306 8.012 1.00 0.00 C ATOM 1076 CH2 TRP B 602 11.634 -2.297 9.174 1.00 0.00 C ATOM 0 H TRP B 602 8.016 1.965 4.617 1.00 0.00 H new ATOM 0 HA TRP B 602 8.134 0.629 7.036 1.00 0.00 H new ATOM 0 HB2 TRP B 602 10.032 1.627 5.601 1.00 0.00 H new ATOM 0 HB3 TRP B 602 9.768 3.126 6.471 1.00 0.00 H new ATOM 0 HD1 TRP B 602 11.039 3.356 8.675 1.00 0.00 H new ATOM 0 HE1 TRP B 602 12.233 1.777 10.338 1.00 0.00 H new ATOM 0 HE3 TRP B 602 9.808 -1.120 6.546 1.00 0.00 H new ATOM 0 HZ2 TRP B 602 12.586 -1.069 10.666 1.00 0.00 H new ATOM 0 HZ3 TRP B 602 10.584 -3.246 7.552 1.00 0.00 H new ATOM 0 HH2 TRP B 602 11.968 -3.228 9.608 1.00 0.00 H new ATOM 1087 N ASP B 603 7.146 3.742 7.356 1.00 0.00 N ATOM 1088 CA ASP B 603 6.468 4.658 8.306 1.00 0.00 C ATOM 1089 C ASP B 603 5.109 4.042 8.655 1.00 0.00 C ATOM 1090 O ASP B 603 4.703 4.015 9.798 1.00 0.00 O ATOM 1091 CB ASP B 603 6.265 6.026 7.650 1.00 0.00 C ATOM 1092 CG ASP B 603 5.840 7.043 8.710 1.00 0.00 C ATOM 1093 OD1 ASP B 603 6.481 7.089 9.748 1.00 0.00 O ATOM 1094 OD2 ASP B 603 4.883 7.758 8.466 1.00 0.00 O ATOM 0 H ASP B 603 7.251 4.096 6.405 1.00 0.00 H new ATOM 0 HA ASP B 603 7.069 4.792 9.205 1.00 0.00 H new ATOM 0 HB2 ASP B 603 7.188 6.351 7.169 1.00 0.00 H new ATOM 0 HB3 ASP B 603 5.506 5.958 6.871 1.00 0.00 H new ATOM 1099 N ARG B 604 4.410 3.522 7.674 1.00 0.00 N ATOM 1100 CA ARG B 604 3.087 2.881 7.957 1.00 0.00 C ATOM 1101 C ARG B 604 3.277 1.766 9.003 1.00 0.00 C ATOM 1102 O ARG B 604 2.471 1.591 9.895 1.00 0.00 O ATOM 1103 CB ARG B 604 2.497 2.279 6.671 1.00 0.00 C ATOM 1104 CG ARG B 604 2.192 3.395 5.648 1.00 0.00 C ATOM 1105 CD ARG B 604 0.789 3.974 5.890 1.00 0.00 C ATOM 1106 NE ARG B 604 0.664 5.315 5.224 1.00 0.00 N ATOM 1107 CZ ARG B 604 1.440 6.318 5.541 1.00 0.00 C ATOM 1108 NH1 ARG B 604 2.256 6.233 6.555 1.00 0.00 N ATOM 1109 NH2 ARG B 604 1.365 7.432 4.864 1.00 0.00 N ATOM 0 H ARG B 604 4.697 3.514 6.695 1.00 0.00 H new ATOM 0 HA ARG B 604 2.401 3.637 8.338 1.00 0.00 H new ATOM 0 HB2 ARG B 604 3.198 1.564 6.241 1.00 0.00 H new ATOM 0 HB3 ARG B 604 1.584 1.730 6.904 1.00 0.00 H new ATOM 0 HG2 ARG B 604 2.938 4.186 5.730 1.00 0.00 H new ATOM 0 HG3 ARG B 604 2.259 2.997 4.635 1.00 0.00 H new ATOM 0 HD2 ARG B 604 0.033 3.293 5.499 1.00 0.00 H new ATOM 0 HD3 ARG B 604 0.607 4.072 6.960 1.00 0.00 H new ATOM 0 HE ARG B 604 -0.047 5.446 4.504 1.00 0.00 H new ATOM 0 HH11 ARG B 604 2.293 5.378 7.110 1.00 0.00 H new ATOM 0 HH12 ARG B 604 2.857 7.022 6.793 1.00 0.00 H new ATOM 0 HH21 ARG B 604 0.703 7.516 4.092 1.00 0.00 H new ATOM 0 HH22 ARG B 604 1.968 8.218 5.107 1.00 0.00 H new ATOM 1123 N ILE B 605 4.348 1.018 8.895 1.00 0.00 N ATOM 1124 CA ILE B 605 4.624 -0.086 9.873 1.00 0.00 C ATOM 1125 C ILE B 605 4.894 0.492 11.267 1.00 0.00 C ATOM 1126 O ILE B 605 4.352 0.027 12.250 1.00 0.00 O ATOM 1127 CB ILE B 605 5.863 -0.881 9.419 1.00 0.00 C ATOM 1128 CG1 ILE B 605 5.789 -1.161 7.917 1.00 0.00 C ATOM 1129 CG2 ILE B 605 5.928 -2.218 10.165 1.00 0.00 C ATOM 1130 CD1 ILE B 605 4.409 -1.724 7.555 1.00 0.00 C ATOM 0 H ILE B 605 5.051 1.125 8.164 1.00 0.00 H new ATOM 0 HA ILE B 605 3.752 -0.739 9.914 1.00 0.00 H new ATOM 0 HB ILE B 605 6.752 -0.289 9.639 1.00 0.00 H new ATOM 0 HG12 ILE B 605 5.974 -0.244 7.358 1.00 0.00 H new ATOM 0 HG13 ILE B 605 6.566 -1.870 7.632 1.00 0.00 H new ATOM 0 HG21 ILE B 605 6.807 -2.774 9.839 1.00 0.00 H new ATOM 0 HG22 ILE B 605 5.993 -2.034 11.237 1.00 0.00 H new ATOM 0 HG23 ILE B 605 5.031 -2.798 9.950 1.00 0.00 H new ATOM 0 HD11 ILE B 605 4.366 -1.920 6.484 1.00 0.00 H new ATOM 0 HD12 ILE B 605 4.240 -2.652 8.101 1.00 0.00 H new ATOM 0 HD13 ILE B 605 3.639 -1.000 7.823 1.00 0.00 H new ATOM 1142 N THR B 606 5.729 1.488 11.371 1.00 0.00 N ATOM 1143 CA THR B 606 6.027 2.066 12.716 1.00 0.00 C ATOM 1144 C THR B 606 4.722 2.327 13.474 1.00 0.00 C ATOM 1145 O THR B 606 4.624 2.076 14.658 1.00 0.00 O ATOM 1146 CB THR B 606 6.800 3.379 12.557 1.00 0.00 C ATOM 1147 OG1 THR B 606 6.091 4.242 11.679 1.00 0.00 O ATOM 1148 CG2 THR B 606 8.188 3.090 11.983 1.00 0.00 C ATOM 0 H THR B 606 6.217 1.926 10.590 1.00 0.00 H new ATOM 0 HA THR B 606 6.633 1.357 13.280 1.00 0.00 H new ATOM 0 HB THR B 606 6.905 3.859 13.530 1.00 0.00 H new ATOM 0 HG1 THR B 606 5.293 3.783 11.343 1.00 0.00 H new ATOM 0 HG21 THR B 606 8.737 4.025 11.870 1.00 0.00 H new ATOM 0 HG22 THR B 606 8.731 2.430 12.659 1.00 0.00 H new ATOM 0 HG23 THR B 606 8.086 2.609 11.010 1.00 0.00 H new ATOM 1267 N ILE B 614 3.489 -9.906 11.854 1.00 0.00 N ATOM 1268 CA ILE B 614 3.328 -9.835 10.365 1.00 0.00 C ATOM 1269 C ILE B 614 4.562 -10.449 9.696 1.00 0.00 C ATOM 1270 O ILE B 614 5.510 -10.827 10.353 1.00 0.00 O ATOM 1271 CB ILE B 614 3.196 -8.363 9.948 1.00 0.00 C ATOM 1272 CG1 ILE B 614 2.018 -7.730 10.700 1.00 0.00 C ATOM 1273 CG2 ILE B 614 2.954 -8.261 8.431 1.00 0.00 C ATOM 1274 CD1 ILE B 614 2.056 -6.210 10.522 1.00 0.00 C ATOM 0 HA ILE B 614 2.438 -10.384 10.058 1.00 0.00 H new ATOM 0 HB ILE B 614 4.118 -7.836 10.194 1.00 0.00 H new ATOM 0 HG12 ILE B 614 1.076 -8.128 10.322 1.00 0.00 H new ATOM 0 HG13 ILE B 614 2.070 -7.984 11.759 1.00 0.00 H new ATOM 0 HG21 ILE B 614 2.862 -7.213 8.147 1.00 0.00 H new ATOM 0 HG22 ILE B 614 3.792 -8.709 7.898 1.00 0.00 H new ATOM 0 HG23 ILE B 614 2.036 -8.789 8.173 1.00 0.00 H new ATOM 0 HD11 ILE B 614 1.219 -5.760 11.056 1.00 0.00 H new ATOM 0 HD12 ILE B 614 2.993 -5.820 10.921 1.00 0.00 H new ATOM 0 HD13 ILE B 614 1.983 -5.966 9.462 1.00 0.00 H new ATOM 1286 N ASP B 615 4.554 -10.540 8.388 1.00 0.00 N ATOM 1287 CA ASP B 615 5.720 -11.115 7.644 1.00 0.00 C ATOM 1288 C ASP B 615 6.232 -10.068 6.655 1.00 0.00 C ATOM 1289 O ASP B 615 5.466 -9.462 5.940 1.00 0.00 O ATOM 1290 CB ASP B 615 5.269 -12.360 6.877 1.00 0.00 C ATOM 1291 CG ASP B 615 4.745 -13.407 7.860 1.00 0.00 C ATOM 1292 OD1 ASP B 615 5.428 -13.667 8.838 1.00 0.00 O ATOM 1293 OD2 ASP B 615 3.670 -13.932 7.621 1.00 0.00 O ATOM 0 H ASP B 615 3.780 -10.237 7.797 1.00 0.00 H new ATOM 0 HA ASP B 615 6.511 -11.389 8.342 1.00 0.00 H new ATOM 0 HB2 ASP B 615 4.490 -12.096 6.162 1.00 0.00 H new ATOM 0 HB3 ASP B 615 6.102 -12.769 6.305 1.00 0.00 H new ATOM 1298 N VAL B 616 7.517 -9.850 6.613 1.00 0.00 N ATOM 1299 CA VAL B 616 8.071 -8.833 5.669 1.00 0.00 C ATOM 1300 C VAL B 616 8.121 -9.412 4.250 1.00 0.00 C ATOM 1301 O VAL B 616 8.232 -8.694 3.273 1.00 0.00 O ATOM 1302 CB VAL B 616 9.480 -8.438 6.113 1.00 0.00 C ATOM 1303 CG1 VAL B 616 9.396 -7.606 7.396 1.00 0.00 C ATOM 1304 CG2 VAL B 616 10.305 -9.699 6.374 1.00 0.00 C ATOM 0 H VAL B 616 8.208 -10.330 7.189 1.00 0.00 H new ATOM 0 HA VAL B 616 7.429 -7.952 5.673 1.00 0.00 H new ATOM 0 HB VAL B 616 9.957 -7.849 5.329 1.00 0.00 H new ATOM 0 HG11 VAL B 616 10.400 -7.324 7.713 1.00 0.00 H new ATOM 0 HG12 VAL B 616 8.809 -6.707 7.209 1.00 0.00 H new ATOM 0 HG13 VAL B 616 8.919 -8.194 8.180 1.00 0.00 H new ATOM 0 HG21 VAL B 616 11.309 -9.418 6.690 1.00 0.00 H new ATOM 0 HG22 VAL B 616 9.830 -10.289 7.158 1.00 0.00 H new ATOM 0 HG23 VAL B 616 10.365 -10.290 5.460 1.00 0.00 H new ATOM 1314 N ASP B 617 8.033 -10.708 4.129 1.00 0.00 N ATOM 1315 CA ASP B 617 8.078 -11.336 2.777 1.00 0.00 C ATOM 1316 C ASP B 617 6.743 -11.128 2.055 1.00 0.00 C ATOM 1317 O ASP B 617 6.691 -11.026 0.847 1.00 0.00 O ATOM 1318 CB ASP B 617 8.349 -12.834 2.921 1.00 0.00 C ATOM 1319 CG ASP B 617 7.336 -13.445 3.890 1.00 0.00 C ATOM 1320 OD1 ASP B 617 6.156 -13.409 3.582 1.00 0.00 O ATOM 1321 OD2 ASP B 617 7.756 -13.937 4.924 1.00 0.00 O ATOM 0 H ASP B 617 7.932 -11.360 4.907 1.00 0.00 H new ATOM 0 HA ASP B 617 8.874 -10.871 2.195 1.00 0.00 H new ATOM 0 HB2 ASP B 617 8.279 -13.322 1.949 1.00 0.00 H new ATOM 0 HB3 ASP B 617 9.363 -12.997 3.287 1.00 0.00 H new ATOM 1326 N GLY B 618 5.662 -11.079 2.780 1.00 0.00 N ATOM 1327 CA GLY B 618 4.338 -10.894 2.121 1.00 0.00 C ATOM 1328 C GLY B 618 4.234 -9.493 1.520 1.00 0.00 C ATOM 1329 O GLY B 618 3.735 -9.323 0.426 1.00 0.00 O ATOM 0 H GLY B 618 5.636 -11.159 3.797 1.00 0.00 H new ATOM 0 HA2 GLY B 618 4.206 -11.643 1.340 1.00 0.00 H new ATOM 0 HA3 GLY B 618 3.539 -11.046 2.847 1.00 0.00 H new ATOM 1333 N LEU B 619 4.703 -8.483 2.204 1.00 0.00 N ATOM 1334 CA LEU B 619 4.609 -7.122 1.608 1.00 0.00 C ATOM 1335 C LEU B 619 5.581 -7.051 0.436 1.00 0.00 C ATOM 1336 O LEU B 619 5.433 -6.244 -0.458 1.00 0.00 O ATOM 1337 CB LEU B 619 4.956 -6.022 2.621 1.00 0.00 C ATOM 1338 CG LEU B 619 4.086 -6.139 3.886 1.00 0.00 C ATOM 1339 CD1 LEU B 619 2.603 -6.201 3.499 1.00 0.00 C ATOM 1340 CD2 LEU B 619 4.468 -7.391 4.697 1.00 0.00 C ATOM 0 H LEU B 619 5.136 -8.539 3.126 1.00 0.00 H new ATOM 0 HA LEU B 619 3.582 -6.955 1.285 1.00 0.00 H new ATOM 0 HB2 LEU B 619 6.009 -6.092 2.892 1.00 0.00 H new ATOM 0 HB3 LEU B 619 4.809 -5.043 2.164 1.00 0.00 H new ATOM 0 HG LEU B 619 4.260 -5.259 4.505 1.00 0.00 H new ATOM 0 HD11 LEU B 619 1.995 -6.284 4.400 1.00 0.00 H new ATOM 0 HD12 LEU B 619 2.330 -5.295 2.959 1.00 0.00 H new ATOM 0 HD13 LEU B 619 2.429 -7.069 2.863 1.00 0.00 H new ATOM 0 HD21 LEU B 619 3.841 -7.454 5.586 1.00 0.00 H new ATOM 0 HD22 LEU B 619 4.319 -8.280 4.085 1.00 0.00 H new ATOM 0 HD23 LEU B 619 5.515 -7.326 4.995 1.00 0.00 H new ATOM 1352 N CYS B 620 6.582 -7.890 0.432 1.00 0.00 N ATOM 1353 CA CYS B 620 7.565 -7.864 -0.684 1.00 0.00 C ATOM 1354 C CYS B 620 6.913 -8.362 -1.982 1.00 0.00 C ATOM 1355 O CYS B 620 6.965 -7.700 -2.994 1.00 0.00 O ATOM 1356 CB CYS B 620 8.759 -8.756 -0.341 1.00 0.00 C ATOM 1357 SG CYS B 620 9.653 -8.050 1.065 1.00 0.00 S ATOM 0 H CYS B 620 6.759 -8.590 1.152 1.00 0.00 H new ATOM 0 HA CYS B 620 7.903 -6.838 -0.827 1.00 0.00 H new ATOM 0 HB2 CYS B 620 8.418 -9.763 -0.100 1.00 0.00 H new ATOM 0 HB3 CYS B 620 9.422 -8.842 -1.202 1.00 0.00 H new ATOM 0 HG CYS B 620 8.985 -8.269 2.158 1.00 0.00 H new ATOM 1363 N SER B 621 6.309 -9.527 -1.978 1.00 0.00 N ATOM 1364 CA SER B 621 5.682 -10.042 -3.242 1.00 0.00 C ATOM 1365 C SER B 621 4.276 -9.458 -3.430 1.00 0.00 C ATOM 1366 O SER B 621 3.624 -9.708 -4.424 1.00 0.00 O ATOM 1367 CB SER B 621 5.634 -11.570 -3.236 1.00 0.00 C ATOM 1368 OG SER B 621 4.933 -12.022 -4.387 1.00 0.00 O ATOM 0 H SER B 621 6.222 -10.138 -1.166 1.00 0.00 H new ATOM 0 HA SER B 621 6.298 -9.721 -4.082 1.00 0.00 H new ATOM 0 HB2 SER B 621 6.645 -11.977 -3.229 1.00 0.00 H new ATOM 0 HB3 SER B 621 5.140 -11.926 -2.332 1.00 0.00 H new ATOM 0 HG SER B 621 4.364 -11.300 -4.728 1.00 0.00 H new ATOM 1374 N GLU B 622 3.817 -8.659 -2.512 1.00 0.00 N ATOM 1375 CA GLU B 622 2.468 -8.027 -2.662 1.00 0.00 C ATOM 1376 C GLU B 622 2.624 -6.581 -3.159 1.00 0.00 C ATOM 1377 O GLU B 622 1.937 -6.157 -4.067 1.00 0.00 O ATOM 1378 CB GLU B 622 1.755 -8.021 -1.315 1.00 0.00 C ATOM 1379 CG GLU B 622 1.337 -9.448 -0.950 1.00 0.00 C ATOM 1380 CD GLU B 622 0.140 -9.865 -1.807 1.00 0.00 C ATOM 1381 OE1 GLU B 622 -0.912 -9.266 -1.651 1.00 0.00 O ATOM 1382 OE2 GLU B 622 0.296 -10.776 -2.604 1.00 0.00 O ATOM 0 H GLU B 622 4.316 -8.411 -1.658 1.00 0.00 H new ATOM 0 HA GLU B 622 1.884 -8.598 -3.384 1.00 0.00 H new ATOM 0 HB2 GLU B 622 2.412 -7.616 -0.546 1.00 0.00 H new ATOM 0 HB3 GLU B 622 0.879 -7.374 -1.359 1.00 0.00 H new ATOM 0 HG2 GLU B 622 2.169 -10.134 -1.110 1.00 0.00 H new ATOM 0 HG3 GLU B 622 1.077 -9.503 0.107 1.00 0.00 H new ATOM 1389 N LEU B 623 3.511 -5.818 -2.573 1.00 0.00 N ATOM 1390 CA LEU B 623 3.693 -4.399 -3.022 1.00 0.00 C ATOM 1391 C LEU B 623 4.674 -4.338 -4.209 1.00 0.00 C ATOM 1392 O LEU B 623 4.739 -3.347 -4.910 1.00 0.00 O ATOM 1393 CB LEU B 623 4.243 -3.544 -1.859 1.00 0.00 C ATOM 1394 CG LEU B 623 3.107 -3.114 -0.909 1.00 0.00 C ATOM 1395 CD1 LEU B 623 2.600 -4.316 -0.101 1.00 0.00 C ATOM 1396 CD2 LEU B 623 3.639 -2.044 0.059 1.00 0.00 C ATOM 0 H LEU B 623 4.116 -6.112 -1.806 1.00 0.00 H new ATOM 0 HA LEU B 623 2.726 -4.007 -3.335 1.00 0.00 H new ATOM 0 HB2 LEU B 623 4.990 -4.113 -1.305 1.00 0.00 H new ATOM 0 HB3 LEU B 623 4.744 -2.661 -2.256 1.00 0.00 H new ATOM 0 HG LEU B 623 2.284 -2.713 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU B 623 1.799 -3.995 0.564 1.00 0.00 H new ATOM 0 HD12 LEU B 623 2.223 -5.079 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU B 623 3.418 -4.729 0.489 1.00 0.00 H new ATOM 0 HD21 LEU B 623 2.841 -1.735 0.734 1.00 0.00 H new ATOM 0 HD22 LEU B 623 4.465 -2.456 0.638 1.00 0.00 H new ATOM 0 HD23 LEU B 623 3.988 -1.181 -0.508 1.00 0.00 H new ATOM 1408 N MET B 624 5.451 -5.367 -4.433 1.00 0.00 N ATOM 1409 CA MET B 624 6.436 -5.330 -5.563 1.00 0.00 C ATOM 1410 C MET B 624 5.725 -5.350 -6.923 1.00 0.00 C ATOM 1411 O MET B 624 6.231 -4.813 -7.887 1.00 0.00 O ATOM 1412 CB MET B 624 7.385 -6.529 -5.452 1.00 0.00 C ATOM 1413 CG MET B 624 8.264 -6.628 -6.702 1.00 0.00 C ATOM 1414 SD MET B 624 9.603 -7.810 -6.404 1.00 0.00 S ATOM 1415 CE MET B 624 10.711 -7.228 -7.713 1.00 0.00 C ATOM 0 H MET B 624 5.448 -6.228 -3.887 1.00 0.00 H new ATOM 0 HA MET B 624 7.003 -4.402 -5.495 1.00 0.00 H new ATOM 0 HB2 MET B 624 8.011 -6.425 -4.566 1.00 0.00 H new ATOM 0 HB3 MET B 624 6.810 -7.447 -5.330 1.00 0.00 H new ATOM 0 HG2 MET B 624 7.666 -6.947 -7.556 1.00 0.00 H new ATOM 0 HG3 MET B 624 8.676 -5.649 -6.949 1.00 0.00 H new ATOM 0 HE1 MET B 624 11.621 -7.828 -7.713 1.00 0.00 H new ATOM 0 HE2 MET B 624 10.214 -7.322 -8.679 1.00 0.00 H new ATOM 0 HE3 MET B 624 10.966 -6.183 -7.536 1.00 0.00 H new ATOM 1425 N ALA B 625 4.564 -5.950 -7.023 1.00 0.00 N ATOM 1426 CA ALA B 625 3.838 -5.979 -8.340 1.00 0.00 C ATOM 1427 C ALA B 625 2.670 -4.997 -8.296 1.00 0.00 C ATOM 1428 O ALA B 625 2.340 -4.394 -9.299 1.00 0.00 O ATOM 1429 CB ALA B 625 3.343 -7.392 -8.655 1.00 0.00 C ATOM 0 H ALA B 625 4.086 -6.421 -6.255 1.00 0.00 H new ATOM 0 HA ALA B 625 4.525 -5.683 -9.132 1.00 0.00 H new ATOM 0 HB1 ALA B 625 2.821 -7.390 -9.612 1.00 0.00 H new ATOM 0 HB2 ALA B 625 4.193 -8.072 -8.707 1.00 0.00 H new ATOM 0 HB3 ALA B 625 2.662 -7.722 -7.871 1.00 0.00 H new ATOM 1435 N LYS B 626 2.070 -4.768 -7.167 1.00 0.00 N ATOM 1436 CA LYS B 626 0.983 -3.754 -7.146 1.00 0.00 C ATOM 1437 C LYS B 626 1.642 -2.417 -7.495 1.00 0.00 C ATOM 1438 O LYS B 626 0.998 -1.433 -7.804 1.00 0.00 O ATOM 1439 CB LYS B 626 0.354 -3.683 -5.750 1.00 0.00 C ATOM 1440 CG LYS B 626 -0.320 -5.022 -5.409 1.00 0.00 C ATOM 1441 CD LYS B 626 -1.716 -5.095 -6.042 1.00 0.00 C ATOM 1442 CE LYS B 626 -2.449 -6.331 -5.519 1.00 0.00 C ATOM 1443 NZ LYS B 626 -3.809 -6.393 -6.124 1.00 0.00 N ATOM 0 H LYS B 626 2.276 -5.224 -6.278 1.00 0.00 H new ATOM 0 HA LYS B 626 0.191 -4.005 -7.851 1.00 0.00 H new ATOM 0 HB2 LYS B 626 1.119 -3.452 -5.009 1.00 0.00 H new ATOM 0 HB3 LYS B 626 -0.379 -2.877 -5.713 1.00 0.00 H new ATOM 0 HG2 LYS B 626 0.293 -5.847 -5.770 1.00 0.00 H new ATOM 0 HG3 LYS B 626 -0.398 -5.132 -4.327 1.00 0.00 H new ATOM 0 HD2 LYS B 626 -2.283 -4.195 -5.803 1.00 0.00 H new ATOM 0 HD3 LYS B 626 -1.633 -5.141 -7.128 1.00 0.00 H new ATOM 0 HE2 LYS B 626 -1.888 -7.232 -5.766 1.00 0.00 H new ATOM 0 HE3 LYS B 626 -2.524 -6.290 -4.432 1.00 0.00 H new ATOM 0 HZ1 LYS B 626 -4.309 -7.233 -5.769 1.00 0.00 H new ATOM 0 HZ2 LYS B 626 -4.343 -5.538 -5.867 1.00 0.00 H new ATOM 0 HZ3 LYS B 626 -3.726 -6.451 -7.159 1.00 0.00 H new ATOM 1457 N ALA B 627 2.947 -2.405 -7.427 1.00 0.00 N ATOM 1458 CA ALA B 627 3.748 -1.182 -7.724 1.00 0.00 C ATOM 1459 C ALA B 627 3.276 -0.485 -9.004 1.00 0.00 C ATOM 1460 O ALA B 627 3.303 -1.048 -10.081 1.00 0.00 O ATOM 1461 CB ALA B 627 5.215 -1.594 -7.890 1.00 0.00 C ATOM 0 H ALA B 627 3.507 -3.218 -7.170 1.00 0.00 H new ATOM 0 HA ALA B 627 3.624 -0.480 -6.899 1.00 0.00 H new ATOM 0 HB1 ALA B 627 5.818 -0.713 -8.108 1.00 0.00 H new ATOM 0 HB2 ALA B 627 5.569 -2.057 -6.969 1.00 0.00 H new ATOM 0 HB3 ALA B 627 5.302 -2.306 -8.711 1.00 0.00 H new ATOM 1467 N LYS B 628 2.902 0.764 -8.895 1.00 0.00 N ATOM 1468 CA LYS B 628 2.492 1.547 -10.098 1.00 0.00 C ATOM 1469 C LYS B 628 3.734 2.304 -10.561 1.00 0.00 C ATOM 1470 O LYS B 628 4.011 3.400 -10.122 1.00 0.00 O ATOM 1471 CB LYS B 628 1.384 2.534 -9.731 1.00 0.00 C ATOM 1472 CG LYS B 628 0.171 1.763 -9.206 1.00 0.00 C ATOM 1473 CD LYS B 628 -1.017 2.714 -9.058 1.00 0.00 C ATOM 1474 CE LYS B 628 -2.284 1.906 -8.772 1.00 0.00 C ATOM 1475 NZ LYS B 628 -3.433 2.834 -8.581 1.00 0.00 N ATOM 0 H LYS B 628 2.863 1.279 -8.015 1.00 0.00 H new ATOM 0 HA LYS B 628 2.108 0.895 -10.883 1.00 0.00 H new ATOM 0 HB2 LYS B 628 1.740 3.233 -8.974 1.00 0.00 H new ATOM 0 HB3 LYS B 628 1.104 3.124 -10.603 1.00 0.00 H new ATOM 0 HG2 LYS B 628 -0.082 0.953 -9.890 1.00 0.00 H new ATOM 0 HG3 LYS B 628 0.406 1.306 -8.245 1.00 0.00 H new ATOM 0 HD2 LYS B 628 -0.833 3.420 -8.248 1.00 0.00 H new ATOM 0 HD3 LYS B 628 -1.144 3.299 -9.969 1.00 0.00 H new ATOM 0 HE2 LYS B 628 -2.487 1.224 -9.598 1.00 0.00 H new ATOM 0 HE3 LYS B 628 -2.145 1.295 -7.880 1.00 0.00 H new ATOM 0 HZ1 LYS B 628 -4.294 2.285 -8.387 1.00 0.00 H new ATOM 0 HZ2 LYS B 628 -3.238 3.467 -7.780 1.00 0.00 H new ATOM 0 HZ3 LYS B 628 -3.570 3.399 -9.443 1.00 0.00 H new ATOM 1489 N CYS B 629 4.517 1.688 -11.394 1.00 0.00 N ATOM 1490 CA CYS B 629 5.790 2.316 -11.842 1.00 0.00 C ATOM 1491 C CYS B 629 5.562 3.673 -12.530 1.00 0.00 C ATOM 1492 O CYS B 629 4.667 3.855 -13.332 1.00 0.00 O ATOM 1493 CB CYS B 629 6.519 1.337 -12.789 1.00 0.00 C ATOM 1494 SG CYS B 629 8.153 0.931 -12.117 1.00 0.00 S ATOM 0 H CYS B 629 4.330 0.767 -11.789 1.00 0.00 H new ATOM 0 HA CYS B 629 6.404 2.517 -10.964 1.00 0.00 H new ATOM 0 HB2 CYS B 629 5.930 0.428 -12.910 1.00 0.00 H new ATOM 0 HB3 CYS B 629 6.623 1.784 -13.778 1.00 0.00 H new ATOM 1499 N SER B 630 6.425 4.606 -12.217 1.00 0.00 N ATOM 1500 CA SER B 630 6.372 5.970 -12.823 1.00 0.00 C ATOM 1501 C SER B 630 7.819 6.424 -13.055 1.00 0.00 C ATOM 1502 O SER B 630 8.738 5.857 -12.499 1.00 0.00 O ATOM 1503 CB SER B 630 5.654 6.938 -11.876 1.00 0.00 C ATOM 1504 OG SER B 630 5.159 8.042 -12.621 1.00 0.00 O ATOM 0 H SER B 630 7.184 4.474 -11.549 1.00 0.00 H new ATOM 0 HA SER B 630 5.822 5.955 -13.764 1.00 0.00 H new ATOM 0 HB2 SER B 630 4.834 6.429 -11.370 1.00 0.00 H new ATOM 0 HB3 SER B 630 6.340 7.284 -11.103 1.00 0.00 H new ATOM 0 HG SER B 630 4.698 8.662 -12.019 1.00 0.00 H new ATOM 1510 N GLU B 631 8.051 7.416 -13.873 1.00 0.00 N ATOM 1511 CA GLU B 631 9.458 7.846 -14.119 1.00 0.00 C ATOM 1512 C GLU B 631 10.047 8.501 -12.864 1.00 0.00 C ATOM 1513 O GLU B 631 11.223 8.369 -12.588 1.00 0.00 O ATOM 1514 CB GLU B 631 9.497 8.838 -15.283 1.00 0.00 C ATOM 1515 CG GLU B 631 8.554 10.009 -14.996 1.00 0.00 C ATOM 1516 CD GLU B 631 8.394 10.858 -16.257 1.00 0.00 C ATOM 1517 OE1 GLU B 631 7.820 10.360 -17.212 1.00 0.00 O ATOM 1518 OE2 GLU B 631 8.846 11.991 -16.247 1.00 0.00 O ATOM 0 H GLU B 631 7.336 7.942 -14.376 1.00 0.00 H new ATOM 0 HA GLU B 631 10.053 6.967 -14.367 1.00 0.00 H new ATOM 0 HB2 GLU B 631 10.513 9.204 -15.427 1.00 0.00 H new ATOM 0 HB3 GLU B 631 9.203 8.340 -16.207 1.00 0.00 H new ATOM 0 HG2 GLU B 631 7.583 9.636 -14.671 1.00 0.00 H new ATOM 0 HG3 GLU B 631 8.950 10.618 -14.183 1.00 0.00 H new ATOM 1525 N ARG B 632 9.256 9.204 -12.102 1.00 0.00 N ATOM 1526 CA ARG B 632 9.808 9.849 -10.875 1.00 0.00 C ATOM 1527 C ARG B 632 10.120 8.762 -9.842 1.00 0.00 C ATOM 1528 O ARG B 632 10.849 8.974 -8.893 1.00 0.00 O ATOM 1529 CB ARG B 632 8.773 10.821 -10.304 1.00 0.00 C ATOM 1530 CG ARG B 632 8.247 11.727 -11.428 1.00 0.00 C ATOM 1531 CD ARG B 632 7.263 12.775 -10.858 1.00 0.00 C ATOM 1532 NE ARG B 632 6.063 12.889 -11.751 1.00 0.00 N ATOM 1533 CZ ARG B 632 6.187 12.996 -13.049 1.00 0.00 C ATOM 1534 NH1 ARG B 632 7.366 13.122 -13.593 1.00 0.00 N ATOM 1535 NH2 ARG B 632 5.121 13.011 -13.802 1.00 0.00 N ATOM 0 H ARG B 632 8.262 9.360 -12.272 1.00 0.00 H new ATOM 0 HA ARG B 632 10.718 10.397 -11.118 1.00 0.00 H new ATOM 0 HB2 ARG B 632 7.949 10.268 -9.852 1.00 0.00 H new ATOM 0 HB3 ARG B 632 9.222 11.425 -9.515 1.00 0.00 H new ATOM 0 HG2 ARG B 632 9.080 12.230 -11.919 1.00 0.00 H new ATOM 0 HG3 ARG B 632 7.747 11.124 -12.186 1.00 0.00 H new ATOM 0 HD2 ARG B 632 6.953 12.487 -9.853 1.00 0.00 H new ATOM 0 HD3 ARG B 632 7.758 13.743 -10.774 1.00 0.00 H new ATOM 0 HE ARG B 632 5.131 12.883 -11.337 1.00 0.00 H new ATOM 0 HH11 ARG B 632 8.200 13.138 -13.006 1.00 0.00 H new ATOM 0 HH12 ARG B 632 7.454 13.205 -14.606 1.00 0.00 H new ATOM 0 HH21 ARG B 632 4.196 12.939 -13.378 1.00 0.00 H new ATOM 0 HH22 ARG B 632 5.213 13.094 -14.814 1.00 0.00 H new ATOM 1549 N GLY B 633 9.561 7.599 -10.031 1.00 0.00 N ATOM 1550 CA GLY B 633 9.796 6.469 -9.080 1.00 0.00 C ATOM 1551 C GLY B 633 8.507 5.663 -8.949 1.00 0.00 C ATOM 1552 O GLY B 633 7.511 5.979 -9.566 1.00 0.00 O ATOM 0 H GLY B 633 8.944 7.378 -10.812 1.00 0.00 H new ATOM 0 HA2 GLY B 633 10.604 5.833 -9.441 1.00 0.00 H new ATOM 0 HA3 GLY B 633 10.103 6.852 -8.107 1.00 0.00 H new ATOM 1556 N VAL B 634 8.500 4.624 -8.161 1.00 0.00 N ATOM 1557 CA VAL B 634 7.268 3.809 -8.006 1.00 0.00 C ATOM 1558 C VAL B 634 6.300 4.501 -7.045 1.00 0.00 C ATOM 1559 O VAL B 634 6.694 5.321 -6.239 1.00 0.00 O ATOM 1560 CB VAL B 634 7.673 2.452 -7.409 1.00 0.00 C ATOM 1561 CG1 VAL B 634 8.526 2.668 -6.155 1.00 0.00 C ATOM 1562 CG2 VAL B 634 6.421 1.648 -7.040 1.00 0.00 C ATOM 0 H VAL B 634 9.301 4.305 -7.616 1.00 0.00 H new ATOM 0 HA VAL B 634 6.780 3.684 -8.973 1.00 0.00 H new ATOM 0 HB VAL B 634 8.251 1.900 -8.150 1.00 0.00 H new ATOM 0 HG11 VAL B 634 8.810 1.702 -5.737 1.00 0.00 H new ATOM 0 HG12 VAL B 634 9.424 3.227 -6.418 1.00 0.00 H new ATOM 0 HG13 VAL B 634 7.952 3.228 -5.417 1.00 0.00 H new ATOM 0 HG21 VAL B 634 6.717 0.688 -6.618 1.00 0.00 H new ATOM 0 HG22 VAL B 634 5.836 2.202 -6.306 1.00 0.00 H new ATOM 0 HG23 VAL B 634 5.819 1.482 -7.933 1.00 0.00 H new ATOM 1572 N VAL B 635 5.045 4.146 -7.092 1.00 0.00 N ATOM 1573 CA VAL B 635 4.052 4.743 -6.148 1.00 0.00 C ATOM 1574 C VAL B 635 2.952 3.708 -5.905 1.00 0.00 C ATOM 1575 O VAL B 635 2.590 2.961 -6.792 1.00 0.00 O ATOM 1576 CB VAL B 635 3.447 6.023 -6.736 1.00 0.00 C ATOM 1577 CG1 VAL B 635 4.558 7.014 -7.089 1.00 0.00 C ATOM 1578 CG2 VAL B 635 2.650 5.683 -7.996 1.00 0.00 C ATOM 0 H VAL B 635 4.661 3.465 -7.747 1.00 0.00 H new ATOM 0 HA VAL B 635 4.543 5.007 -5.211 1.00 0.00 H new ATOM 0 HB VAL B 635 2.786 6.475 -5.996 1.00 0.00 H new ATOM 0 HG11 VAL B 635 4.118 7.920 -7.506 1.00 0.00 H new ATOM 0 HG12 VAL B 635 5.121 7.264 -6.190 1.00 0.00 H new ATOM 0 HG13 VAL B 635 5.227 6.564 -7.823 1.00 0.00 H new ATOM 0 HG21 VAL B 635 2.221 6.594 -8.412 1.00 0.00 H new ATOM 0 HG22 VAL B 635 3.311 5.224 -8.732 1.00 0.00 H new ATOM 0 HG23 VAL B 635 1.850 4.988 -7.744 1.00 0.00 H new ATOM 1588 N ILE B 636 2.433 3.638 -4.702 1.00 0.00 N ATOM 1589 CA ILE B 636 1.369 2.629 -4.386 1.00 0.00 C ATOM 1590 C ILE B 636 0.198 3.310 -3.677 1.00 0.00 C ATOM 1591 O ILE B 636 0.374 4.254 -2.936 1.00 0.00 O ATOM 1592 CB ILE B 636 1.953 1.563 -3.455 1.00 0.00 C ATOM 1593 CG1 ILE B 636 3.115 0.854 -4.153 1.00 0.00 C ATOM 1594 CG2 ILE B 636 0.871 0.540 -3.105 1.00 0.00 C ATOM 1595 CD1 ILE B 636 3.915 0.048 -3.127 1.00 0.00 C ATOM 0 H ILE B 636 2.701 4.238 -3.922 1.00 0.00 H new ATOM 0 HA ILE B 636 1.019 2.175 -5.313 1.00 0.00 H new ATOM 0 HB ILE B 636 2.312 2.039 -2.543 1.00 0.00 H new ATOM 0 HG12 ILE B 636 2.736 0.194 -4.933 1.00 0.00 H new ATOM 0 HG13 ILE B 636 3.761 1.585 -4.640 1.00 0.00 H new ATOM 0 HG21 ILE B 636 1.288 -0.218 -2.442 1.00 0.00 H new ATOM 0 HG22 ILE B 636 0.043 1.043 -2.606 1.00 0.00 H new ATOM 0 HG23 ILE B 636 0.510 0.066 -4.018 1.00 0.00 H new ATOM 0 HD11 ILE B 636 4.742 -0.457 -3.626 1.00 0.00 H new ATOM 0 HD12 ILE B 636 4.307 0.719 -2.363 1.00 0.00 H new ATOM 0 HD13 ILE B 636 3.266 -0.693 -2.661 1.00 0.00 H new ATOM 1607 N ASN B 637 -1.000 2.831 -3.893 1.00 0.00 N ATOM 1608 CA ASN B 637 -2.186 3.440 -3.223 1.00 0.00 C ATOM 1609 C ASN B 637 -2.403 2.755 -1.872 1.00 0.00 C ATOM 1610 O ASN B 637 -2.305 1.550 -1.748 1.00 0.00 O ATOM 1611 CB ASN B 637 -3.426 3.257 -4.101 1.00 0.00 C ATOM 1612 CG ASN B 637 -4.544 4.174 -3.602 1.00 0.00 C ATOM 1613 OD1 ASN B 637 -4.286 5.167 -2.950 1.00 0.00 O ATOM 1614 ND2 ASN B 637 -5.785 3.883 -3.882 1.00 0.00 N ATOM 0 H ASN B 637 -1.208 2.043 -4.506 1.00 0.00 H new ATOM 0 HA ASN B 637 -2.014 4.505 -3.070 1.00 0.00 H new ATOM 0 HB2 ASN B 637 -3.187 3.489 -5.139 1.00 0.00 H new ATOM 0 HB3 ASN B 637 -3.754 2.218 -4.074 1.00 0.00 H new ATOM 0 HD21 ASN B 637 -6.537 4.489 -3.554 1.00 0.00 H new ATOM 0 HD22 ASN B 637 -6.003 3.050 -4.429 1.00 0.00 H new ATOM 1621 N ALA B 638 -2.686 3.523 -0.857 1.00 0.00 N ATOM 1622 CA ALA B 638 -2.898 2.941 0.498 1.00 0.00 C ATOM 1623 C ALA B 638 -3.865 1.751 0.440 1.00 0.00 C ATOM 1624 O ALA B 638 -4.024 1.029 1.403 1.00 0.00 O ATOM 1625 CB ALA B 638 -3.460 4.004 1.435 1.00 0.00 C ATOM 0 H ALA B 638 -2.780 4.537 -0.909 1.00 0.00 H new ATOM 0 HA ALA B 638 -1.936 2.590 0.872 1.00 0.00 H new ATOM 0 HB1 ALA B 638 -3.613 3.573 2.424 1.00 0.00 H new ATOM 0 HB2 ALA B 638 -2.758 4.835 1.506 1.00 0.00 H new ATOM 0 HB3 ALA B 638 -4.412 4.366 1.046 1.00 0.00 H new ATOM 1631 N GLU B 639 -4.517 1.541 -0.669 1.00 0.00 N ATOM 1632 CA GLU B 639 -5.475 0.396 -0.763 1.00 0.00 C ATOM 1633 C GLU B 639 -4.726 -0.916 -1.038 1.00 0.00 C ATOM 1634 O GLU B 639 -5.238 -1.984 -0.769 1.00 0.00 O ATOM 1635 CB GLU B 639 -6.492 0.663 -1.878 1.00 0.00 C ATOM 1636 CG GLU B 639 -7.539 1.668 -1.387 1.00 0.00 C ATOM 1637 CD GLU B 639 -6.839 2.927 -0.871 1.00 0.00 C ATOM 1638 OE1 GLU B 639 -5.887 3.354 -1.503 1.00 0.00 O ATOM 1639 OE2 GLU B 639 -7.267 3.441 0.150 1.00 0.00 O ATOM 0 H GLU B 639 -4.431 2.108 -1.513 1.00 0.00 H new ATOM 0 HA GLU B 639 -5.999 0.300 0.188 1.00 0.00 H new ATOM 0 HB2 GLU B 639 -5.985 1.052 -2.761 1.00 0.00 H new ATOM 0 HB3 GLU B 639 -6.977 -0.268 -2.173 1.00 0.00 H new ATOM 0 HG2 GLU B 639 -8.220 1.925 -2.198 1.00 0.00 H new ATOM 0 HG3 GLU B 639 -8.141 1.224 -0.594 1.00 0.00 H new ATOM 1646 N ASP B 640 -3.517 -0.870 -1.533 1.00 0.00 N ATOM 1647 CA ASP B 640 -2.772 -2.150 -1.765 1.00 0.00 C ATOM 1648 C ASP B 640 -2.045 -2.537 -0.473 1.00 0.00 C ATOM 1649 O ASP B 640 -2.090 -3.674 -0.047 1.00 0.00 O ATOM 1650 CB ASP B 640 -1.773 -1.987 -2.912 1.00 0.00 C ATOM 1651 CG ASP B 640 -2.496 -1.444 -4.146 1.00 0.00 C ATOM 1652 OD1 ASP B 640 -3.612 -1.872 -4.390 1.00 0.00 O ATOM 1653 OD2 ASP B 640 -1.920 -0.612 -4.827 1.00 0.00 O ATOM 0 H ASP B 640 -3.017 -0.018 -1.784 1.00 0.00 H new ATOM 0 HA ASP B 640 -3.473 -2.937 -2.041 1.00 0.00 H new ATOM 0 HB2 ASP B 640 -0.973 -1.307 -2.618 1.00 0.00 H new ATOM 0 HB3 ASP B 640 -1.308 -2.946 -3.142 1.00 0.00 H new ATOM 1658 N VAL B 641 -1.405 -1.607 0.173 1.00 0.00 N ATOM 1659 CA VAL B 641 -0.715 -1.934 1.455 1.00 0.00 C ATOM 1660 C VAL B 641 -1.783 -2.292 2.506 1.00 0.00 C ATOM 1661 O VAL B 641 -1.641 -3.246 3.246 1.00 0.00 O ATOM 1662 CB VAL B 641 0.110 -0.720 1.918 1.00 0.00 C ATOM 1663 CG1 VAL B 641 -0.647 0.566 1.626 1.00 0.00 C ATOM 1664 CG2 VAL B 641 0.397 -0.816 3.419 1.00 0.00 C ATOM 0 H VAL B 641 -1.328 -0.635 -0.128 1.00 0.00 H new ATOM 0 HA VAL B 641 -0.040 -2.779 1.320 1.00 0.00 H new ATOM 0 HB VAL B 641 1.055 -0.714 1.374 1.00 0.00 H new ATOM 0 HG11 VAL B 641 -0.055 1.420 1.957 1.00 0.00 H new ATOM 0 HG12 VAL B 641 -0.830 0.645 0.554 1.00 0.00 H new ATOM 0 HG13 VAL B 641 -1.599 0.556 2.157 1.00 0.00 H new ATOM 0 HG21 VAL B 641 0.981 0.049 3.734 1.00 0.00 H new ATOM 0 HG22 VAL B 641 -0.544 -0.838 3.969 1.00 0.00 H new ATOM 0 HG23 VAL B 641 0.958 -1.727 3.625 1.00 0.00 H new ATOM 1674 N GLN B 642 -2.841 -1.528 2.584 1.00 0.00 N ATOM 1675 CA GLN B 642 -3.901 -1.823 3.593 1.00 0.00 C ATOM 1676 C GLN B 642 -4.485 -3.215 3.338 1.00 0.00 C ATOM 1677 O GLN B 642 -4.807 -3.938 4.261 1.00 0.00 O ATOM 1678 CB GLN B 642 -5.010 -0.772 3.505 1.00 0.00 C ATOM 1679 CG GLN B 642 -6.009 -0.987 4.642 1.00 0.00 C ATOM 1680 CD GLN B 642 -7.056 0.129 4.618 1.00 0.00 C ATOM 1681 OE1 GLN B 642 -6.880 1.128 3.950 1.00 0.00 O ATOM 1682 NE2 GLN B 642 -8.146 0.000 5.324 1.00 0.00 N ATOM 0 H GLN B 642 -3.017 -0.715 1.994 1.00 0.00 H new ATOM 0 HA GLN B 642 -3.462 -1.795 4.590 1.00 0.00 H new ATOM 0 HB2 GLN B 642 -4.583 0.229 3.567 1.00 0.00 H new ATOM 0 HB3 GLN B 642 -5.517 -0.843 2.543 1.00 0.00 H new ATOM 0 HG2 GLN B 642 -6.494 -1.958 4.536 1.00 0.00 H new ATOM 0 HG3 GLN B 642 -5.490 -0.993 5.600 1.00 0.00 H new ATOM 0 HE21 GLN B 642 -8.294 -0.839 5.885 1.00 0.00 H new ATOM 0 HE22 GLN B 642 -8.850 0.738 5.315 1.00 0.00 H new ATOM 1691 N LEU B 643 -4.605 -3.610 2.102 1.00 0.00 N ATOM 1692 CA LEU B 643 -5.145 -4.969 1.802 1.00 0.00 C ATOM 1693 C LEU B 643 -4.007 -5.989 1.913 1.00 0.00 C ATOM 1694 O LEU B 643 -4.242 -7.168 2.076 1.00 0.00 O ATOM 1695 CB LEU B 643 -5.748 -4.986 0.385 1.00 0.00 C ATOM 1696 CG LEU B 643 -7.226 -4.539 0.411 1.00 0.00 C ATOM 1697 CD1 LEU B 643 -8.124 -5.649 0.991 1.00 0.00 C ATOM 1698 CD2 LEU B 643 -7.378 -3.260 1.253 1.00 0.00 C ATOM 0 H LEU B 643 -4.353 -3.053 1.286 1.00 0.00 H new ATOM 0 HA LEU B 643 -5.930 -5.226 2.514 1.00 0.00 H new ATOM 0 HB2 LEU B 643 -5.175 -4.326 -0.266 1.00 0.00 H new ATOM 0 HB3 LEU B 643 -5.674 -5.990 -0.034 1.00 0.00 H new ATOM 0 HG LEU B 643 -7.537 -4.337 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU B 643 -9.160 -5.311 0.999 1.00 0.00 H new ATOM 0 HD12 LEU B 643 -8.039 -6.545 0.375 1.00 0.00 H new ATOM 0 HD13 LEU B 643 -7.809 -5.877 2.009 1.00 0.00 H new ATOM 0 HD21 LEU B 643 -8.424 -2.954 1.264 1.00 0.00 H new ATOM 0 HD22 LEU B 643 -7.046 -3.454 2.273 1.00 0.00 H new ATOM 0 HD23 LEU B 643 -6.772 -2.465 0.819 1.00 0.00 H new ATOM 1710 N ALA B 644 -2.778 -5.554 1.856 1.00 0.00 N ATOM 1711 CA ALA B 644 -1.643 -6.518 1.994 1.00 0.00 C ATOM 1712 C ALA B 644 -1.321 -6.706 3.479 1.00 0.00 C ATOM 1713 O ALA B 644 -1.047 -7.805 3.920 1.00 0.00 O ATOM 1714 CB ALA B 644 -0.416 -5.999 1.250 1.00 0.00 C ATOM 0 H ALA B 644 -2.509 -4.579 1.721 1.00 0.00 H new ATOM 0 HA ALA B 644 -1.927 -7.477 1.560 1.00 0.00 H new ATOM 0 HB1 ALA B 644 0.403 -6.710 1.358 1.00 0.00 H new ATOM 0 HB2 ALA B 644 -0.655 -5.879 0.193 1.00 0.00 H new ATOM 0 HB3 ALA B 644 -0.118 -5.037 1.666 1.00 0.00 H new ATOM 1720 N LEU B 645 -1.371 -5.669 4.267 1.00 0.00 N ATOM 1721 CA LEU B 645 -1.087 -5.845 5.722 1.00 0.00 C ATOM 1722 C LEU B 645 -2.321 -6.455 6.396 1.00 0.00 C ATOM 1723 O LEU B 645 -2.294 -7.581 6.853 1.00 0.00 O ATOM 1724 CB LEU B 645 -0.779 -4.493 6.386 1.00 0.00 C ATOM 1725 CG LEU B 645 0.579 -3.923 5.914 1.00 0.00 C ATOM 1726 CD1 LEU B 645 0.625 -2.422 6.227 1.00 0.00 C ATOM 1727 CD2 LEU B 645 1.737 -4.594 6.673 1.00 0.00 C ATOM 0 H LEU B 645 -1.593 -4.718 3.974 1.00 0.00 H new ATOM 0 HA LEU B 645 -0.221 -6.498 5.834 1.00 0.00 H new ATOM 0 HB2 LEU B 645 -1.573 -3.783 6.153 1.00 0.00 H new ATOM 0 HB3 LEU B 645 -0.767 -4.613 7.469 1.00 0.00 H new ATOM 0 HG LEU B 645 0.681 -4.108 4.845 1.00 0.00 H new ATOM 0 HD11 LEU B 645 1.579 -2.011 5.898 1.00 0.00 H new ATOM 0 HD12 LEU B 645 -0.187 -1.916 5.705 1.00 0.00 H new ATOM 0 HD13 LEU B 645 0.516 -2.271 7.301 1.00 0.00 H new ATOM 0 HD21 LEU B 645 2.685 -4.181 6.329 1.00 0.00 H new ATOM 0 HD22 LEU B 645 1.627 -4.409 7.742 1.00 0.00 H new ATOM 0 HD23 LEU B 645 1.720 -5.668 6.487 1.00 0.00 H new ATOM 1739 N ASN B 646 -3.396 -5.719 6.476 1.00 0.00 N ATOM 1740 CA ASN B 646 -4.624 -6.253 7.138 1.00 0.00 C ATOM 1741 C ASN B 646 -4.909 -7.685 6.667 1.00 0.00 C ATOM 1742 O ASN B 646 -5.686 -8.396 7.272 1.00 0.00 O ATOM 1743 CB ASN B 646 -5.819 -5.361 6.793 1.00 0.00 C ATOM 1744 CG ASN B 646 -5.542 -3.931 7.264 1.00 0.00 C ATOM 1745 OD1 ASN B 646 -4.733 -3.235 6.684 1.00 0.00 O ATOM 1746 ND2 ASN B 646 -6.186 -3.463 8.296 1.00 0.00 N ATOM 0 H ASN B 646 -3.479 -4.770 6.112 1.00 0.00 H new ATOM 0 HA ASN B 646 -4.464 -6.261 8.216 1.00 0.00 H new ATOM 0 HB2 ASN B 646 -5.997 -5.373 5.718 1.00 0.00 H new ATOM 0 HB3 ASN B 646 -6.722 -5.744 7.270 1.00 0.00 H new ATOM 0 HD21 ASN B 646 -6.011 -2.511 8.618 1.00 0.00 H new ATOM 0 HD22 ASN B 646 -6.865 -4.049 8.782 1.00 0.00 H new ATOM 1753 N LYS B 647 -4.294 -8.117 5.597 1.00 0.00 N ATOM 1754 CA LYS B 647 -4.542 -9.508 5.099 1.00 0.00 C ATOM 1755 C LYS B 647 -3.478 -10.456 5.660 1.00 0.00 C ATOM 1756 O LYS B 647 -3.604 -11.662 5.568 1.00 0.00 O ATOM 1757 CB LYS B 647 -4.481 -9.522 3.569 1.00 0.00 C ATOM 1758 CG LYS B 647 -4.577 -10.965 3.061 1.00 0.00 C ATOM 1759 CD LYS B 647 -4.911 -10.963 1.567 1.00 0.00 C ATOM 1760 CE LYS B 647 -5.070 -12.404 1.079 1.00 0.00 C ATOM 1761 NZ LYS B 647 -5.335 -12.405 -0.388 1.00 0.00 N ATOM 0 H LYS B 647 -3.632 -7.571 5.046 1.00 0.00 H new ATOM 0 HA LYS B 647 -5.528 -9.837 5.428 1.00 0.00 H new ATOM 0 HB2 LYS B 647 -5.296 -8.927 3.158 1.00 0.00 H new ATOM 0 HB3 LYS B 647 -3.551 -9.068 3.228 1.00 0.00 H new ATOM 0 HG2 LYS B 647 -3.634 -11.485 3.232 1.00 0.00 H new ATOM 0 HG3 LYS B 647 -5.345 -11.506 3.615 1.00 0.00 H new ATOM 0 HD2 LYS B 647 -5.830 -10.404 1.389 1.00 0.00 H new ATOM 0 HD3 LYS B 647 -4.121 -10.463 1.007 1.00 0.00 H new ATOM 0 HE2 LYS B 647 -4.167 -12.975 1.297 1.00 0.00 H new ATOM 0 HE3 LYS B 647 -5.890 -12.890 1.608 1.00 0.00 H new ATOM 0 HZ1 LYS B 647 -5.443 -13.384 -0.721 1.00 0.00 H new ATOM 0 HZ2 LYS B 647 -6.208 -11.875 -0.583 1.00 0.00 H new ATOM 0 HZ3 LYS B 647 -4.539 -11.957 -0.885 1.00 0.00 H new ATOM 1775 N HIS B 648 -2.435 -9.920 6.243 1.00 0.00 N ATOM 1776 CA HIS B 648 -1.352 -10.780 6.820 1.00 0.00 C ATOM 1777 C HIS B 648 -1.394 -10.695 8.346 1.00 0.00 C ATOM 1778 O HIS B 648 -0.443 -11.030 9.022 1.00 0.00 O ATOM 1779 CB HIS B 648 0.008 -10.287 6.321 1.00 0.00 C ATOM 1780 CG HIS B 648 0.109 -10.509 4.836 1.00 0.00 C ATOM 1781 ND1 HIS B 648 -0.753 -11.357 4.157 1.00 0.00 N ATOM 1782 CD2 HIS B 648 0.962 -10.004 3.888 1.00 0.00 C ATOM 1783 CE1 HIS B 648 -0.401 -11.336 2.858 1.00 0.00 C ATOM 1784 NE2 HIS B 648 0.638 -10.526 2.639 1.00 0.00 N ATOM 0 H HIS B 648 -2.285 -8.916 6.345 1.00 0.00 H new ATOM 0 HA HIS B 648 -1.502 -11.814 6.508 1.00 0.00 H new ATOM 0 HB2 HIS B 648 0.129 -9.228 6.550 1.00 0.00 H new ATOM 0 HB3 HIS B 648 0.810 -10.818 6.834 1.00 0.00 H new ATOM 0 HD1 HIS B 648 -1.515 -11.898 4.567 1.00 0.00 H new ATOM 0 HD2 HIS B 648 1.764 -9.307 4.081 1.00 0.00 H new ATOM 0 HE1 HIS B 648 -0.898 -11.905 2.087 1.00 0.00 H new ATOM 1792 N MET B 649 -2.496 -10.256 8.895 1.00 0.00 N ATOM 1793 CA MET B 649 -2.611 -10.156 10.383 1.00 0.00 C ATOM 1794 C MET B 649 -3.312 -11.405 10.919 1.00 0.00 C ATOM 1795 O MET B 649 -4.522 -11.518 10.874 1.00 0.00 O ATOM 1796 CB MET B 649 -3.431 -8.916 10.747 1.00 0.00 C ATOM 1797 CG MET B 649 -2.600 -7.659 10.489 1.00 0.00 C ATOM 1798 SD MET B 649 -1.343 -7.491 11.781 1.00 0.00 S ATOM 1799 CE MET B 649 -1.272 -5.683 11.798 1.00 0.00 C ATOM 0 H MET B 649 -3.324 -9.961 8.377 1.00 0.00 H new ATOM 0 HA MET B 649 -1.617 -10.076 10.823 1.00 0.00 H new ATOM 0 HB2 MET B 649 -4.347 -8.887 10.156 1.00 0.00 H new ATOM 0 HB3 MET B 649 -3.729 -8.959 11.795 1.00 0.00 H new ATOM 0 HG2 MET B 649 -2.125 -7.719 9.510 1.00 0.00 H new ATOM 0 HG3 MET B 649 -3.245 -6.780 10.477 1.00 0.00 H new ATOM 0 HE1 MET B 649 -0.506 -5.356 12.501 1.00 0.00 H new ATOM 0 HE2 MET B 649 -1.028 -5.319 10.800 1.00 0.00 H new ATOM 0 HE3 MET B 649 -2.239 -5.284 12.103 1.00 0.00 H new ATOM 1809 N ASN B 650 -2.562 -12.345 11.425 1.00 0.00 N ATOM 1810 CA ASN B 650 -3.182 -13.588 11.963 1.00 0.00 C ATOM 1811 C ASN B 650 -3.769 -13.308 13.348 1.00 0.00 C ATOM 1812 O ASN B 650 -4.983 -13.230 13.450 1.00 0.00 O ATOM 1813 CB ASN B 650 -2.118 -14.682 12.072 1.00 0.00 C ATOM 1814 CG ASN B 650 -2.783 -16.006 12.453 1.00 0.00 C ATOM 1815 OD1 ASN B 650 -2.882 -16.336 13.618 1.00 0.00 O ATOM 1816 ND2 ASN B 650 -3.245 -16.786 11.514 1.00 0.00 N ATOM 1817 OXT ASN B 650 -2.996 -13.178 14.281 1.00 0.00 O ATOM 0 H ASN B 650 -1.545 -12.305 11.489 1.00 0.00 H new ATOM 0 HA ASN B 650 -3.976 -13.918 11.292 1.00 0.00 H new ATOM 0 HB2 ASN B 650 -1.591 -14.787 11.124 1.00 0.00 H new ATOM 0 HB3 ASN B 650 -1.375 -14.408 12.821 1.00 0.00 H new ATOM 0 HD21 ASN B 650 -3.688 -17.671 11.759 1.00 0.00 H new ATOM 0 HD22 ASN B 650 -3.163 -16.510 10.535 1.00 0.00 H new