USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 628 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 637 ASN : amide:sc= -3.6! K(o=-3.6!,f=-0.77) USER MOD Single : A 304 SER OG : rot 180:sc= 0.0023 USER MOD Single : A 305 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 306 MET CE :methyl -113:sc= -0.342 (180deg=-3.6!) USER MOD Single : A 307 ASN : amide:sc= 0.795 K(o=0.79,f=-2.8!) USER MOD Single : A 308 GLN : amide:sc= 0 X(o=0,f=0) 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 -27:sc= 1.04 USER MOD Single : B 620 CYS SG : rot 180:sc= 0 USER MOD Single : B 621 SER OG : rot -40:sc= 0.512 USER MOD Single : B 624 MET CE :methyl -175:sc= -0.127 (180deg=-0.17) USER MOD Single : B 626 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 630 SER OG : rot 71:sc= 0.551 USER MOD Single : B 642 GLN : amide:sc= -4.99! C(o=-5!,f=-3.8!) USER MOD Single : B 646 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.098) USER MOD Single : B 647 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 648 HIS : no HD1:sc= -0.658 X(o=-0.66,f=-0.6) USER MOD Single : B 649 MET CE :methyl -142:sc= 0 (180deg=-0.0506) USER MOD Single : B 650 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 338 N GLU A 301 18.004 -3.016 -2.170 1.00 0.00 N ATOM 339 CA GLU A 301 17.379 -4.144 -2.916 1.00 0.00 C ATOM 340 C GLU A 301 15.865 -4.089 -2.727 1.00 0.00 C ATOM 341 O GLU A 301 15.101 -4.393 -3.622 1.00 0.00 O ATOM 342 CB GLU A 301 17.904 -5.468 -2.355 1.00 0.00 C ATOM 343 CG GLU A 301 17.641 -5.530 -0.848 1.00 0.00 C ATOM 344 CD GLU A 301 18.358 -6.744 -0.256 1.00 0.00 C ATOM 345 OE1 GLU A 301 19.331 -7.181 -0.849 1.00 0.00 O ATOM 346 OE2 GLU A 301 17.923 -7.217 0.781 1.00 0.00 O ATOM 0 HA GLU A 301 17.624 -4.067 -3.975 1.00 0.00 H new ATOM 0 HB2 GLU A 301 17.415 -6.305 -2.854 1.00 0.00 H new ATOM 0 HB3 GLU A 301 18.972 -5.559 -2.552 1.00 0.00 H new ATOM 0 HG2 GLU A 301 17.993 -4.617 -0.369 1.00 0.00 H new ATOM 0 HG3 GLU A 301 16.570 -5.598 -0.657 1.00 0.00 H new ATOM 353 N PHE A 302 15.430 -3.697 -1.562 1.00 0.00 N ATOM 354 CA PHE A 302 13.971 -3.616 -1.303 1.00 0.00 C ATOM 355 C PHE A 302 13.344 -2.598 -2.257 1.00 0.00 C ATOM 356 O PHE A 302 12.536 -2.933 -3.098 1.00 0.00 O ATOM 357 CB PHE A 302 13.728 -3.183 0.147 1.00 0.00 C ATOM 358 CG PHE A 302 12.254 -3.293 0.480 1.00 0.00 C ATOM 359 CD1 PHE A 302 11.399 -2.211 0.233 1.00 0.00 C ATOM 360 CD2 PHE A 302 11.744 -4.472 1.043 1.00 0.00 C ATOM 361 CE1 PHE A 302 10.037 -2.308 0.546 1.00 0.00 C ATOM 362 CE2 PHE A 302 10.380 -4.567 1.357 1.00 0.00 C ATOM 363 CZ PHE A 302 9.529 -3.485 1.108 1.00 0.00 C ATOM 0 H PHE A 302 16.026 -3.429 -0.778 1.00 0.00 H new ATOM 0 HA PHE A 302 13.517 -4.594 -1.465 1.00 0.00 H new ATOM 0 HB2 PHE A 302 14.310 -3.808 0.824 1.00 0.00 H new ATOM 0 HB3 PHE A 302 14.066 -2.157 0.290 1.00 0.00 H new ATOM 0 HD1 PHE A 302 11.790 -1.302 -0.199 1.00 0.00 H new ATOM 0 HD2 PHE A 302 12.402 -5.307 1.235 1.00 0.00 H new ATOM 0 HE1 PHE A 302 9.378 -1.474 0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 302 9.987 -5.475 1.791 1.00 0.00 H new ATOM 0 HZ PHE A 302 8.479 -3.558 1.350 1.00 0.00 H new ATOM 373 N CYS A 303 13.708 -1.354 -2.129 1.00 0.00 N ATOM 374 CA CYS A 303 13.127 -0.308 -3.018 1.00 0.00 C ATOM 375 C CYS A 303 13.763 -0.369 -4.410 1.00 0.00 C ATOM 376 O CYS A 303 13.084 -0.338 -5.417 1.00 0.00 O ATOM 377 CB CYS A 303 13.395 1.067 -2.409 1.00 0.00 C ATOM 378 SG CYS A 303 12.414 2.313 -3.281 1.00 0.00 S ATOM 0 H CYS A 303 14.385 -1.014 -1.446 1.00 0.00 H new ATOM 0 HA CYS A 303 12.055 -0.481 -3.112 1.00 0.00 H new ATOM 0 HB2 CYS A 303 13.140 1.064 -1.349 1.00 0.00 H new ATOM 0 HB3 CYS A 303 14.456 1.308 -2.480 1.00 0.00 H new ATOM 383 N SER A 304 15.063 -0.430 -4.472 1.00 0.00 N ATOM 384 CA SER A 304 15.758 -0.464 -5.792 1.00 0.00 C ATOM 385 C SER A 304 15.180 -1.561 -6.693 1.00 0.00 C ATOM 386 O SER A 304 15.312 -1.503 -7.904 1.00 0.00 O ATOM 387 CB SER A 304 17.247 -0.730 -5.569 1.00 0.00 C ATOM 388 OG SER A 304 17.753 0.202 -4.623 1.00 0.00 O ATOM 0 H SER A 304 15.680 -0.458 -3.660 1.00 0.00 H new ATOM 0 HA SER A 304 15.613 0.498 -6.283 1.00 0.00 H new ATOM 0 HB2 SER A 304 17.397 -1.748 -5.210 1.00 0.00 H new ATOM 0 HB3 SER A 304 17.789 -0.641 -6.510 1.00 0.00 H new ATOM 0 HG SER A 304 18.707 0.034 -4.476 1.00 0.00 H new ATOM 394 N LYS A 305 14.508 -2.543 -6.132 1.00 0.00 N ATOM 395 CA LYS A 305 13.908 -3.623 -6.990 1.00 0.00 C ATOM 396 C LYS A 305 12.408 -3.373 -7.117 1.00 0.00 C ATOM 397 O LYS A 305 11.759 -3.826 -8.052 1.00 0.00 O ATOM 398 CB LYS A 305 14.181 -5.004 -6.387 1.00 0.00 C ATOM 399 CG LYS A 305 13.719 -6.092 -7.360 1.00 0.00 C ATOM 400 CD LYS A 305 13.903 -7.467 -6.712 1.00 0.00 C ATOM 401 CE LYS A 305 13.534 -8.561 -7.716 1.00 0.00 C ATOM 402 NZ LYS A 305 13.744 -9.898 -7.091 1.00 0.00 N ATOM 0 H LYS A 305 14.350 -2.644 -5.129 1.00 0.00 H new ATOM 0 HA LYS A 305 14.364 -3.601 -7.980 1.00 0.00 H new ATOM 0 HB2 LYS A 305 15.245 -5.117 -6.179 1.00 0.00 H new ATOM 0 HB3 LYS A 305 13.658 -5.106 -5.436 1.00 0.00 H new ATOM 0 HG2 LYS A 305 12.672 -5.939 -7.623 1.00 0.00 H new ATOM 0 HG3 LYS A 305 14.292 -6.035 -8.285 1.00 0.00 H new ATOM 0 HD2 LYS A 305 14.936 -7.591 -6.386 1.00 0.00 H new ATOM 0 HD3 LYS A 305 13.277 -7.548 -5.824 1.00 0.00 H new ATOM 0 HE2 LYS A 305 12.494 -8.451 -8.025 1.00 0.00 H new ATOM 0 HE3 LYS A 305 14.145 -8.467 -8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 305 13.494 -10.643 -7.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 305 14.742 -10.000 -6.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 305 13.143 -9.985 -6.247 1.00 0.00 H new ATOM 416 N MET A 306 11.851 -2.601 -6.236 1.00 0.00 N ATOM 417 CA MET A 306 10.412 -2.292 -6.364 1.00 0.00 C ATOM 418 C MET A 306 10.240 -1.385 -7.576 1.00 0.00 C ATOM 419 O MET A 306 9.180 -1.337 -8.168 1.00 0.00 O ATOM 420 CB MET A 306 9.909 -1.583 -5.101 1.00 0.00 C ATOM 421 CG MET A 306 9.828 -2.579 -3.924 1.00 0.00 C ATOM 422 SD MET A 306 8.136 -3.210 -3.768 1.00 0.00 S ATOM 423 CE MET A 306 7.380 -1.734 -3.036 1.00 0.00 C ATOM 0 H MET A 306 12.326 -2.175 -5.440 1.00 0.00 H new ATOM 0 HA MET A 306 9.836 -3.209 -6.488 1.00 0.00 H new ATOM 0 HB2 MET A 306 10.578 -0.762 -4.846 1.00 0.00 H new ATOM 0 HB3 MET A 306 8.927 -1.148 -5.287 1.00 0.00 H new ATOM 0 HG2 MET A 306 10.520 -3.405 -4.087 1.00 0.00 H new ATOM 0 HG3 MET A 306 10.129 -2.088 -2.999 1.00 0.00 H new ATOM 0 HE1 MET A 306 7.075 -1.951 -2.012 1.00 0.00 H new ATOM 0 HE2 MET A 306 8.103 -0.918 -3.034 1.00 0.00 H new ATOM 0 HE3 MET A 306 6.507 -1.444 -3.621 1.00 0.00 H new ATOM 433 N ASN A 307 11.284 -0.673 -7.974 1.00 0.00 N ATOM 434 CA ASN A 307 11.157 0.211 -9.178 1.00 0.00 C ATOM 435 C ASN A 307 11.591 -0.619 -10.388 1.00 0.00 C ATOM 436 O ASN A 307 11.018 -0.532 -11.455 1.00 0.00 O ATOM 437 CB ASN A 307 12.041 1.451 -9.028 1.00 0.00 C ATOM 438 CG ASN A 307 11.622 2.232 -7.781 1.00 0.00 C ATOM 439 OD1 ASN A 307 11.024 3.285 -7.882 1.00 0.00 O ATOM 440 ND2 ASN A 307 11.911 1.757 -6.600 1.00 0.00 N ATOM 0 H ASN A 307 12.198 -0.670 -7.522 1.00 0.00 H new ATOM 0 HA ASN A 307 10.131 0.560 -9.298 1.00 0.00 H new ATOM 0 HB2 ASN A 307 13.088 1.157 -8.950 1.00 0.00 H new ATOM 0 HB3 ASN A 307 11.952 2.083 -9.912 1.00 0.00 H new ATOM 0 HD21 ASN A 307 11.635 2.270 -5.763 1.00 0.00 H new ATOM 0 HD22 ASN A 307 12.413 0.873 -6.515 1.00 0.00 H new ATOM 447 N GLN A 308 12.607 -1.452 -10.190 1.00 0.00 N ATOM 448 CA GLN A 308 13.110 -2.354 -11.286 1.00 0.00 C ATOM 449 C GLN A 308 11.931 -2.821 -12.134 1.00 0.00 C ATOM 450 O GLN A 308 12.013 -2.923 -13.342 1.00 0.00 O ATOM 451 CB GLN A 308 13.767 -3.587 -10.652 1.00 0.00 C ATOM 452 CG GLN A 308 14.063 -4.640 -11.727 1.00 0.00 C ATOM 453 CD GLN A 308 15.061 -5.665 -11.183 1.00 0.00 C ATOM 454 OE1 GLN A 308 16.226 -5.364 -11.012 1.00 0.00 O ATOM 455 NE2 GLN A 308 14.652 -6.873 -10.903 1.00 0.00 N ATOM 0 H GLN A 308 13.108 -1.541 -9.306 1.00 0.00 H new ATOM 0 HA GLN A 308 13.827 -1.814 -11.904 1.00 0.00 H new ATOM 0 HB2 GLN A 308 14.691 -3.299 -10.151 1.00 0.00 H new ATOM 0 HB3 GLN A 308 13.110 -4.008 -9.891 1.00 0.00 H new ATOM 0 HG2 GLN A 308 13.141 -5.139 -12.025 1.00 0.00 H new ATOM 0 HG3 GLN A 308 14.468 -4.160 -12.618 1.00 0.00 H new ATOM 0 HE21 GLN A 308 13.674 -7.126 -11.046 1.00 0.00 H new ATOM 0 HE22 GLN A 308 15.310 -7.563 -10.541 1.00 0.00 H new ATOM 464 N VAL A 309 10.827 -3.097 -11.491 1.00 0.00 N ATOM 465 CA VAL A 309 9.611 -3.549 -12.233 1.00 0.00 C ATOM 466 C VAL A 309 9.375 -2.639 -13.445 1.00 0.00 C ATOM 467 O VAL A 309 8.587 -2.938 -14.320 1.00 0.00 O ATOM 468 CB VAL A 309 8.395 -3.455 -11.309 1.00 0.00 C ATOM 469 CG1 VAL A 309 7.156 -3.980 -12.041 1.00 0.00 C ATOM 470 CG2 VAL A 309 8.638 -4.287 -10.044 1.00 0.00 C ATOM 0 H VAL A 309 10.714 -3.029 -10.480 1.00 0.00 H new ATOM 0 HA VAL A 309 9.756 -4.577 -12.566 1.00 0.00 H new ATOM 0 HB VAL A 309 8.236 -2.414 -11.027 1.00 0.00 H new ATOM 0 HG11 VAL A 309 6.289 -3.913 -11.383 1.00 0.00 H new ATOM 0 HG12 VAL A 309 6.980 -3.381 -12.935 1.00 0.00 H new ATOM 0 HG13 VAL A 309 7.316 -5.020 -12.327 1.00 0.00 H new ATOM 0 HG21 VAL A 309 7.769 -4.216 -9.390 1.00 0.00 H new ATOM 0 HG22 VAL A 309 8.801 -5.329 -10.320 1.00 0.00 H new ATOM 0 HG23 VAL A 309 9.517 -3.908 -9.522 1.00 0.00 H new ATOM 480 N CYS A 310 10.061 -1.531 -13.495 1.00 0.00 N ATOM 481 CA CYS A 310 9.896 -0.589 -14.635 1.00 0.00 C ATOM 482 C CYS A 310 10.572 -1.169 -15.881 1.00 0.00 C ATOM 483 O CYS A 310 10.721 -0.501 -16.886 1.00 0.00 O ATOM 484 CB CYS A 310 10.534 0.756 -14.269 1.00 0.00 C ATOM 485 SG CYS A 310 9.765 2.068 -15.248 1.00 0.00 S ATOM 0 H CYS A 310 10.735 -1.236 -12.788 1.00 0.00 H new ATOM 0 HA CYS A 310 8.836 -0.442 -14.844 1.00 0.00 H new ATOM 0 HB2 CYS A 310 10.404 0.956 -13.205 1.00 0.00 H new ATOM 0 HB3 CYS A 310 11.607 0.726 -14.459 1.00 0.00 H new ATOM 490 N GLY A 311 10.981 -2.406 -15.825 1.00 0.00 N ATOM 491 CA GLY A 311 11.644 -3.025 -17.008 1.00 0.00 C ATOM 492 C GLY A 311 10.590 -3.358 -18.065 1.00 0.00 C ATOM 493 O GLY A 311 9.551 -3.913 -17.767 1.00 0.00 O ATOM 0 H GLY A 311 10.885 -3.015 -15.012 1.00 0.00 H new ATOM 0 HA2 GLY A 311 12.386 -2.342 -17.421 1.00 0.00 H new ATOM 0 HA3 GLY A 311 12.174 -3.929 -16.710 1.00 0.00 H new ATOM 928 N GLY B 593 -7.178 6.939 0.289 1.00 0.00 N ATOM 929 CA GLY B 593 -5.929 6.189 -0.021 1.00 0.00 C ATOM 930 C GLY B 593 -4.842 7.173 -0.450 1.00 0.00 C ATOM 931 O GLY B 593 -4.912 7.765 -1.509 1.00 0.00 O ATOM 0 HA2 GLY B 593 -5.602 5.627 0.854 1.00 0.00 H new ATOM 0 HA3 GLY B 593 -6.114 5.465 -0.814 1.00 0.00 H new ATOM 935 N SER B 594 -3.839 7.358 0.363 1.00 0.00 N ATOM 936 CA SER B 594 -2.753 8.311 -0.005 1.00 0.00 C ATOM 937 C SER B 594 -1.755 7.630 -0.934 1.00 0.00 C ATOM 938 O SER B 594 -1.723 6.422 -1.066 1.00 0.00 O ATOM 939 CB SER B 594 -2.016 8.786 1.243 1.00 0.00 C ATOM 940 OG SER B 594 -2.898 9.557 2.048 1.00 0.00 O ATOM 0 H SER B 594 -3.724 6.893 1.263 1.00 0.00 H new ATOM 0 HA SER B 594 -3.205 9.166 -0.508 1.00 0.00 H new ATOM 0 HB2 SER B 594 -1.645 7.930 1.807 1.00 0.00 H new ATOM 0 HB3 SER B 594 -1.148 9.382 0.961 1.00 0.00 H new ATOM 0 HG SER B 594 -2.426 9.861 2.851 1.00 0.00 H new ATOM 946 N LEU B 595 -0.940 8.411 -1.577 1.00 0.00 N ATOM 947 CA LEU B 595 0.075 7.863 -2.511 1.00 0.00 C ATOM 948 C LEU B 595 1.396 7.678 -1.763 1.00 0.00 C ATOM 949 O LEU B 595 1.975 8.632 -1.281 1.00 0.00 O ATOM 950 CB LEU B 595 0.259 8.875 -3.644 1.00 0.00 C ATOM 951 CG LEU B 595 1.388 8.422 -4.607 1.00 0.00 C ATOM 952 CD1 LEU B 595 0.986 8.699 -6.062 1.00 0.00 C ATOM 953 CD2 LEU B 595 2.693 9.180 -4.309 1.00 0.00 C ATOM 0 H LEU B 595 -0.935 9.427 -1.493 1.00 0.00 H new ATOM 0 HA LEU B 595 -0.243 6.900 -2.911 1.00 0.00 H new ATOM 0 HB2 LEU B 595 -0.675 8.984 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU B 595 0.500 9.854 -3.229 1.00 0.00 H new ATOM 0 HG LEU B 595 1.544 7.353 -4.459 1.00 0.00 H new ATOM 0 HD11 LEU B 595 1.786 8.377 -6.728 1.00 0.00 H new ATOM 0 HD12 LEU B 595 0.074 8.150 -6.298 1.00 0.00 H new ATOM 0 HD13 LEU B 595 0.812 9.767 -6.194 1.00 0.00 H new ATOM 0 HD21 LEU B 595 3.472 8.847 -4.995 1.00 0.00 H new ATOM 0 HD22 LEU B 595 2.530 10.250 -4.437 1.00 0.00 H new ATOM 0 HD23 LEU B 595 3.004 8.980 -3.283 1.00 0.00 H new ATOM 965 N LEU B 596 1.876 6.459 -1.653 1.00 0.00 N ATOM 966 CA LEU B 596 3.169 6.210 -0.926 1.00 0.00 C ATOM 967 C LEU B 596 4.079 5.324 -1.799 1.00 0.00 C ATOM 968 O LEU B 596 3.628 4.687 -2.730 1.00 0.00 O ATOM 969 CB LEU B 596 2.899 5.542 0.456 1.00 0.00 C ATOM 970 CG LEU B 596 1.387 5.412 0.719 1.00 0.00 C ATOM 971 CD1 LEU B 596 0.809 4.252 -0.108 1.00 0.00 C ATOM 972 CD2 LEU B 596 1.155 5.139 2.212 1.00 0.00 C ATOM 0 H LEU B 596 1.429 5.625 -2.035 1.00 0.00 H new ATOM 0 HA LEU B 596 3.671 7.160 -0.741 1.00 0.00 H new ATOM 0 HB2 LEU B 596 3.363 4.556 0.484 1.00 0.00 H new ATOM 0 HB3 LEU B 596 3.360 6.134 1.247 1.00 0.00 H new ATOM 0 HG LEU B 596 0.890 6.338 0.431 1.00 0.00 H new ATOM 0 HD11 LEU B 596 -0.261 4.166 0.083 1.00 0.00 H new ATOM 0 HD12 LEU B 596 0.974 4.444 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU B 596 1.304 3.322 0.174 1.00 0.00 H new ATOM 0 HD21 LEU B 596 0.086 5.046 2.403 1.00 0.00 H new ATOM 0 HD22 LEU B 596 1.656 4.213 2.495 1.00 0.00 H new ATOM 0 HD23 LEU B 596 1.558 5.964 2.800 1.00 0.00 H new ATOM 984 N ARG B 597 5.363 5.305 -1.510 1.00 0.00 N ATOM 985 CA ARG B 597 6.326 4.488 -2.326 1.00 0.00 C ATOM 986 C ARG B 597 6.852 3.285 -1.526 1.00 0.00 C ATOM 987 O ARG B 597 6.213 2.795 -0.616 1.00 0.00 O ATOM 988 CB ARG B 597 7.512 5.367 -2.754 1.00 0.00 C ATOM 989 CG ARG B 597 7.008 6.708 -3.343 1.00 0.00 C ATOM 990 CD ARG B 597 6.989 7.795 -2.259 1.00 0.00 C ATOM 991 NE ARG B 597 6.463 9.064 -2.838 1.00 0.00 N ATOM 992 CZ ARG B 597 6.079 10.032 -2.051 1.00 0.00 C ATOM 993 NH1 ARG B 597 6.150 9.888 -0.756 1.00 0.00 N ATOM 994 NH2 ARG B 597 5.624 11.144 -2.559 1.00 0.00 N ATOM 0 H ARG B 597 5.787 5.823 -0.740 1.00 0.00 H new ATOM 0 HA ARG B 597 5.797 4.116 -3.203 1.00 0.00 H new ATOM 0 HB2 ARG B 597 8.158 5.559 -1.897 1.00 0.00 H new ATOM 0 HB3 ARG B 597 8.114 4.841 -3.495 1.00 0.00 H new ATOM 0 HG2 ARG B 597 7.653 7.017 -4.165 1.00 0.00 H new ATOM 0 HG3 ARG B 597 6.007 6.578 -3.755 1.00 0.00 H new ATOM 0 HD2 ARG B 597 6.366 7.479 -1.422 1.00 0.00 H new ATOM 0 HD3 ARG B 597 7.994 7.951 -1.867 1.00 0.00 H new ATOM 0 HE ARG B 597 6.403 9.176 -3.850 1.00 0.00 H new ATOM 0 HH11 ARG B 597 6.506 9.019 -0.358 1.00 0.00 H new ATOM 0 HH12 ARG B 597 5.850 10.645 -0.141 1.00 0.00 H new ATOM 0 HH21 ARG B 597 5.568 11.257 -3.571 1.00 0.00 H new ATOM 0 HH22 ARG B 597 5.324 11.900 -1.944 1.00 0.00 H new ATOM 1008 N CYS B 598 8.006 2.791 -1.902 1.00 0.00 N ATOM 1009 CA CYS B 598 8.599 1.592 -1.226 1.00 0.00 C ATOM 1010 C CYS B 598 8.816 1.833 0.271 1.00 0.00 C ATOM 1011 O CYS B 598 7.885 1.812 1.052 1.00 0.00 O ATOM 1012 CB CYS B 598 9.943 1.268 -1.879 1.00 0.00 C ATOM 1013 SG CYS B 598 10.938 2.777 -1.983 1.00 0.00 S ATOM 0 H CYS B 598 8.572 3.173 -2.660 1.00 0.00 H new ATOM 0 HA CYS B 598 7.902 0.761 -1.337 1.00 0.00 H new ATOM 0 HB2 CYS B 598 10.469 0.511 -1.298 1.00 0.00 H new ATOM 0 HB3 CYS B 598 9.786 0.853 -2.875 1.00 0.00 H new ATOM 1018 N SER B 599 10.048 2.033 0.680 1.00 0.00 N ATOM 1019 CA SER B 599 10.343 2.247 2.131 1.00 0.00 C ATOM 1020 C SER B 599 9.321 3.213 2.724 1.00 0.00 C ATOM 1021 O SER B 599 9.127 3.288 3.931 1.00 0.00 O ATOM 1022 CB SER B 599 11.744 2.837 2.288 1.00 0.00 C ATOM 1023 OG SER B 599 11.912 3.296 3.623 1.00 0.00 O ATOM 0 H SER B 599 10.863 2.057 0.068 1.00 0.00 H new ATOM 0 HA SER B 599 10.289 1.292 2.653 1.00 0.00 H new ATOM 0 HB2 SER B 599 12.497 2.085 2.052 1.00 0.00 H new ATOM 0 HB3 SER B 599 11.885 3.660 1.587 1.00 0.00 H new ATOM 0 HG SER B 599 12.810 3.674 3.728 1.00 0.00 H new ATOM 1029 N GLU B 600 8.649 3.943 1.882 1.00 0.00 N ATOM 1030 CA GLU B 600 7.626 4.892 2.374 1.00 0.00 C ATOM 1031 C GLU B 600 6.742 4.157 3.384 1.00 0.00 C ATOM 1032 O GLU B 600 6.308 4.691 4.394 1.00 0.00 O ATOM 1033 CB GLU B 600 6.774 5.347 1.177 1.00 0.00 C ATOM 1034 CG GLU B 600 6.148 6.718 1.467 1.00 0.00 C ATOM 1035 CD GLU B 600 7.238 7.793 1.497 1.00 0.00 C ATOM 1036 OE1 GLU B 600 7.707 8.164 0.433 1.00 0.00 O ATOM 1037 OE2 GLU B 600 7.584 8.228 2.583 1.00 0.00 O ATOM 0 H GLU B 600 8.768 3.920 0.869 1.00 0.00 H new ATOM 0 HA GLU B 600 8.088 5.759 2.847 1.00 0.00 H new ATOM 0 HB2 GLU B 600 7.392 5.403 0.281 1.00 0.00 H new ATOM 0 HB3 GLU B 600 5.991 4.615 0.979 1.00 0.00 H new ATOM 0 HG2 GLU B 600 5.409 6.959 0.703 1.00 0.00 H new ATOM 0 HG3 GLU B 600 5.623 6.693 2.422 1.00 0.00 H new ATOM 1044 N ILE B 601 6.468 2.908 3.093 1.00 0.00 N ATOM 1045 CA ILE B 601 5.610 2.117 3.997 1.00 0.00 C ATOM 1046 C ILE B 601 6.402 1.872 5.282 1.00 0.00 C ATOM 1047 O ILE B 601 5.853 1.794 6.356 1.00 0.00 O ATOM 1048 CB ILE B 601 5.216 0.785 3.293 1.00 0.00 C ATOM 1049 CG1 ILE B 601 3.816 0.914 2.668 1.00 0.00 C ATOM 1050 CG2 ILE B 601 5.193 -0.391 4.277 1.00 0.00 C ATOM 1051 CD1 ILE B 601 3.863 1.891 1.490 1.00 0.00 C ATOM 0 H ILE B 601 6.806 2.413 2.268 1.00 0.00 H new ATOM 0 HA ILE B 601 4.686 2.641 4.242 1.00 0.00 H new ATOM 0 HB ILE B 601 5.966 0.593 2.526 1.00 0.00 H new ATOM 0 HG12 ILE B 601 3.467 -0.062 2.330 1.00 0.00 H new ATOM 0 HG13 ILE B 601 3.105 1.265 3.416 1.00 0.00 H new ATOM 0 HG21 ILE B 601 4.914 -1.302 3.748 1.00 0.00 H new ATOM 0 HG22 ILE B 601 6.182 -0.516 4.718 1.00 0.00 H new ATOM 0 HG23 ILE B 601 4.467 -0.192 5.065 1.00 0.00 H new ATOM 0 HD11 ILE B 601 2.869 1.979 1.051 1.00 0.00 H new ATOM 0 HD12 ILE B 601 4.193 2.869 1.841 1.00 0.00 H new ATOM 0 HD13 ILE B 601 4.561 1.521 0.738 1.00 0.00 H new ATOM 1063 N TRP B 602 7.713 1.759 5.166 1.00 0.00 N ATOM 1064 CA TRP B 602 8.558 1.535 6.379 1.00 0.00 C ATOM 1065 C TRP B 602 8.078 2.500 7.445 1.00 0.00 C ATOM 1066 O TRP B 602 7.999 2.177 8.613 1.00 0.00 O ATOM 1067 CB TRP B 602 10.032 1.808 6.062 1.00 0.00 C ATOM 1068 CG TRP B 602 10.886 1.277 7.171 1.00 0.00 C ATOM 1069 CD1 TRP B 602 11.479 2.032 8.124 1.00 0.00 C ATOM 1070 CD2 TRP B 602 11.250 -0.105 7.458 1.00 0.00 C ATOM 1071 NE1 TRP B 602 12.182 1.202 8.978 1.00 0.00 N ATOM 1072 CE2 TRP B 602 12.071 -0.124 8.610 1.00 0.00 C ATOM 1073 CE3 TRP B 602 10.949 -1.331 6.837 1.00 0.00 C ATOM 1074 CZ2 TRP B 602 12.577 -1.317 9.128 1.00 0.00 C ATOM 1075 CZ3 TRP B 602 11.456 -2.533 7.356 1.00 0.00 C ATOM 1076 CH2 TRP B 602 12.268 -2.526 8.499 1.00 0.00 C ATOM 0 H TRP B 602 8.225 1.813 4.286 1.00 0.00 H new ATOM 0 HA TRP B 602 8.472 0.502 6.716 1.00 0.00 H new ATOM 0 HB2 TRP B 602 10.306 1.335 5.119 1.00 0.00 H new ATOM 0 HB3 TRP B 602 10.197 2.879 5.942 1.00 0.00 H new ATOM 0 HD1 TRP B 602 11.414 3.107 8.205 1.00 0.00 H new ATOM 0 HE1 TRP B 602 12.717 1.530 9.782 1.00 0.00 H new ATOM 0 HE3 TRP B 602 10.324 -1.348 5.956 1.00 0.00 H new ATOM 0 HZ2 TRP B 602 13.203 -1.306 10.008 1.00 0.00 H new ATOM 0 HZ3 TRP B 602 11.219 -3.469 6.872 1.00 0.00 H new ATOM 0 HH2 TRP B 602 12.654 -3.454 8.893 1.00 0.00 H new ATOM 1087 N ASP B 603 7.705 3.678 7.030 1.00 0.00 N ATOM 1088 CA ASP B 603 7.167 4.658 8.002 1.00 0.00 C ATOM 1089 C ASP B 603 5.816 4.129 8.489 1.00 0.00 C ATOM 1090 O ASP B 603 5.521 4.141 9.667 1.00 0.00 O ATOM 1091 CB ASP B 603 6.981 6.015 7.320 1.00 0.00 C ATOM 1092 CG ASP B 603 8.340 6.547 6.863 1.00 0.00 C ATOM 1093 OD1 ASP B 603 9.306 6.342 7.580 1.00 0.00 O ATOM 1094 OD2 ASP B 603 8.393 7.149 5.804 1.00 0.00 O ATOM 0 H ASP B 603 7.751 4.000 6.063 1.00 0.00 H new ATOM 0 HA ASP B 603 7.852 4.787 8.840 1.00 0.00 H new ATOM 0 HB2 ASP B 603 6.311 5.916 6.466 1.00 0.00 H new ATOM 0 HB3 ASP B 603 6.516 6.720 8.009 1.00 0.00 H new ATOM 1099 N ARG B 604 5.000 3.632 7.587 1.00 0.00 N ATOM 1100 CA ARG B 604 3.679 3.070 8.013 1.00 0.00 C ATOM 1101 C ARG B 604 3.929 1.984 9.072 1.00 0.00 C ATOM 1102 O ARG B 604 3.354 1.997 10.140 1.00 0.00 O ATOM 1103 CB ARG B 604 2.949 2.454 6.809 1.00 0.00 C ATOM 1104 CG ARG B 604 1.608 1.848 7.250 1.00 0.00 C ATOM 1105 CD ARG B 604 0.744 2.895 7.969 1.00 0.00 C ATOM 1106 NE ARG B 604 0.953 4.240 7.360 1.00 0.00 N ATOM 1107 CZ ARG B 604 0.102 5.200 7.596 1.00 0.00 C ATOM 1108 NH1 ARG B 604 -0.934 4.981 8.357 1.00 0.00 N ATOM 1109 NH2 ARG B 604 0.288 6.381 7.070 1.00 0.00 N ATOM 0 H ARG B 604 5.190 3.592 6.586 1.00 0.00 H new ATOM 0 HA ARG B 604 3.059 3.866 8.425 1.00 0.00 H new ATOM 0 HB2 ARG B 604 2.779 3.217 6.049 1.00 0.00 H new ATOM 0 HB3 ARG B 604 3.571 1.684 6.353 1.00 0.00 H new ATOM 0 HG2 ARG B 604 1.074 1.465 6.380 1.00 0.00 H new ATOM 0 HG3 ARG B 604 1.787 1.001 7.913 1.00 0.00 H new ATOM 0 HD2 ARG B 604 -0.308 2.617 7.903 1.00 0.00 H new ATOM 0 HD3 ARG B 604 1.000 2.923 9.028 1.00 0.00 H new ATOM 0 HE ARG B 604 1.760 4.409 6.760 1.00 0.00 H new ATOM 0 HH11 ARG B 604 -1.079 4.059 8.768 1.00 0.00 H new ATOM 0 HH12 ARG B 604 -1.599 5.732 8.541 1.00 0.00 H new ATOM 0 HH21 ARG B 604 1.098 6.552 6.475 1.00 0.00 H new ATOM 0 HH22 ARG B 604 -0.377 7.132 7.254 1.00 0.00 H new ATOM 1123 N ILE B 605 4.813 1.062 8.778 1.00 0.00 N ATOM 1124 CA ILE B 605 5.149 -0.023 9.756 1.00 0.00 C ATOM 1125 C ILE B 605 5.388 0.580 11.142 1.00 0.00 C ATOM 1126 O ILE B 605 4.904 0.078 12.134 1.00 0.00 O ATOM 1127 CB ILE B 605 6.427 -0.743 9.311 1.00 0.00 C ATOM 1128 CG1 ILE B 605 6.305 -1.179 7.848 1.00 0.00 C ATOM 1129 CG2 ILE B 605 6.646 -1.979 10.186 1.00 0.00 C ATOM 1130 CD1 ILE B 605 4.993 -1.939 7.625 1.00 0.00 C ATOM 0 H ILE B 605 5.321 1.013 7.895 1.00 0.00 H new ATOM 0 HA ILE B 605 4.318 -0.727 9.796 1.00 0.00 H new ATOM 0 HB ILE B 605 7.271 -0.061 9.413 1.00 0.00 H new ATOM 0 HG12 ILE B 605 6.342 -0.305 7.197 1.00 0.00 H new ATOM 0 HG13 ILE B 605 7.150 -1.813 7.579 1.00 0.00 H new ATOM 0 HG21 ILE B 605 7.555 -2.492 9.870 1.00 0.00 H new ATOM 0 HG22 ILE B 605 6.744 -1.674 11.228 1.00 0.00 H new ATOM 0 HG23 ILE B 605 5.795 -2.653 10.084 1.00 0.00 H new ATOM 0 HD11 ILE B 605 4.921 -2.242 6.580 1.00 0.00 H new ATOM 0 HD12 ILE B 605 4.972 -2.823 8.262 1.00 0.00 H new ATOM 0 HD13 ILE B 605 4.151 -1.293 7.874 1.00 0.00 H new ATOM 1142 N THR B 606 6.147 1.628 11.235 1.00 0.00 N ATOM 1143 CA THR B 606 6.413 2.216 12.576 1.00 0.00 C ATOM 1144 C THR B 606 5.134 2.839 13.153 1.00 0.00 C ATOM 1145 O THR B 606 4.787 2.608 14.294 1.00 0.00 O ATOM 1146 CB THR B 606 7.492 3.292 12.456 1.00 0.00 C ATOM 1147 OG1 THR B 606 7.030 4.330 11.603 1.00 0.00 O ATOM 1148 CG2 THR B 606 8.766 2.677 11.873 1.00 0.00 C ATOM 0 H THR B 606 6.593 2.102 10.450 1.00 0.00 H new ATOM 0 HA THR B 606 6.752 1.425 13.245 1.00 0.00 H new ATOM 0 HB THR B 606 7.709 3.702 13.442 1.00 0.00 H new ATOM 0 HG1 THR B 606 6.379 3.966 10.968 1.00 0.00 H new ATOM 0 HG21 THR B 606 9.535 3.445 11.788 1.00 0.00 H new ATOM 0 HG22 THR B 606 9.119 1.881 12.529 1.00 0.00 H new ATOM 0 HG23 THR B 606 8.553 2.266 10.886 1.00 0.00 H new ATOM 1267 N ILE B 614 3.838 -10.501 11.574 1.00 0.00 N ATOM 1268 CA ILE B 614 3.662 -10.121 10.139 1.00 0.00 C ATOM 1269 C ILE B 614 4.777 -10.754 9.304 1.00 0.00 C ATOM 1270 O ILE B 614 5.771 -11.216 9.829 1.00 0.00 O ATOM 1271 CB ILE B 614 3.740 -8.597 10.011 1.00 0.00 C ATOM 1272 CG1 ILE B 614 2.646 -7.959 10.872 1.00 0.00 C ATOM 1273 CG2 ILE B 614 3.543 -8.188 8.547 1.00 0.00 C ATOM 1274 CD1 ILE B 614 2.912 -6.458 11.002 1.00 0.00 C ATOM 0 HA ILE B 614 2.694 -10.474 9.782 1.00 0.00 H new ATOM 0 HB ILE B 614 4.718 -8.256 10.350 1.00 0.00 H new ATOM 0 HG12 ILE B 614 1.668 -8.128 10.421 1.00 0.00 H new ATOM 0 HG13 ILE B 614 2.627 -8.423 11.858 1.00 0.00 H new ATOM 0 HG21 ILE B 614 3.599 -7.103 8.462 1.00 0.00 H new ATOM 0 HG22 ILE B 614 4.323 -8.641 7.935 1.00 0.00 H new ATOM 0 HG23 ILE B 614 2.567 -8.529 8.202 1.00 0.00 H new ATOM 0 HD11 ILE B 614 2.134 -6.002 11.615 1.00 0.00 H new ATOM 0 HD12 ILE B 614 3.883 -6.300 11.472 1.00 0.00 H new ATOM 0 HD13 ILE B 614 2.909 -6.001 10.012 1.00 0.00 H new ATOM 1286 N ASP B 615 4.620 -10.766 8.003 1.00 0.00 N ATOM 1287 CA ASP B 615 5.662 -11.350 7.104 1.00 0.00 C ATOM 1288 C ASP B 615 6.152 -10.253 6.162 1.00 0.00 C ATOM 1289 O ASP B 615 5.400 -9.722 5.373 1.00 0.00 O ATOM 1290 CB ASP B 615 5.048 -12.487 6.284 1.00 0.00 C ATOM 1291 CG ASP B 615 3.819 -11.970 5.534 1.00 0.00 C ATOM 1292 OD1 ASP B 615 3.342 -10.903 5.884 1.00 0.00 O ATOM 1293 OD2 ASP B 615 3.377 -12.649 4.622 1.00 0.00 O ATOM 0 H ASP B 615 3.803 -10.391 7.520 1.00 0.00 H new ATOM 0 HA ASP B 615 6.492 -11.741 7.693 1.00 0.00 H new ATOM 0 HB2 ASP B 615 5.781 -12.877 5.578 1.00 0.00 H new ATOM 0 HB3 ASP B 615 4.767 -13.311 6.939 1.00 0.00 H new ATOM 1298 N VAL B 616 7.407 -9.912 6.238 1.00 0.00 N ATOM 1299 CA VAL B 616 7.942 -8.847 5.344 1.00 0.00 C ATOM 1300 C VAL B 616 8.172 -9.436 3.950 1.00 0.00 C ATOM 1301 O VAL B 616 8.307 -8.725 2.970 1.00 0.00 O ATOM 1302 CB VAL B 616 9.260 -8.320 5.913 1.00 0.00 C ATOM 1303 CG1 VAL B 616 9.023 -7.776 7.326 1.00 0.00 C ATOM 1304 CG2 VAL B 616 10.281 -9.457 5.968 1.00 0.00 C ATOM 0 H VAL B 616 8.085 -10.323 6.879 1.00 0.00 H new ATOM 0 HA VAL B 616 7.230 -8.024 5.277 1.00 0.00 H new ATOM 0 HB VAL B 616 9.640 -7.522 5.275 1.00 0.00 H new ATOM 0 HG11 VAL B 616 9.962 -7.400 7.733 1.00 0.00 H new ATOM 0 HG12 VAL B 616 8.294 -6.966 7.287 1.00 0.00 H new ATOM 0 HG13 VAL B 616 8.644 -8.574 7.964 1.00 0.00 H new ATOM 0 HG21 VAL B 616 11.221 -9.083 6.373 1.00 0.00 H new ATOM 0 HG22 VAL B 616 9.903 -10.255 6.607 1.00 0.00 H new ATOM 0 HG23 VAL B 616 10.448 -9.845 4.963 1.00 0.00 H new ATOM 1314 N ASP B 617 8.209 -10.736 3.856 1.00 0.00 N ATOM 1315 CA ASP B 617 8.427 -11.383 2.531 1.00 0.00 C ATOM 1316 C ASP B 617 7.147 -11.295 1.701 1.00 0.00 C ATOM 1317 O ASP B 617 7.185 -11.124 0.499 1.00 0.00 O ATOM 1318 CB ASP B 617 8.799 -12.853 2.739 1.00 0.00 C ATOM 1319 CG ASP B 617 7.699 -13.548 3.543 1.00 0.00 C ATOM 1320 OD1 ASP B 617 6.646 -13.795 2.979 1.00 0.00 O ATOM 1321 OD2 ASP B 617 7.928 -13.820 4.710 1.00 0.00 O ATOM 0 H ASP B 617 8.098 -11.379 4.640 1.00 0.00 H new ATOM 0 HA ASP B 617 9.234 -10.872 2.006 1.00 0.00 H new ATOM 0 HB2 ASP B 617 8.927 -13.347 1.776 1.00 0.00 H new ATOM 0 HB3 ASP B 617 9.751 -12.928 3.265 1.00 0.00 H new ATOM 1326 N GLY B 618 6.011 -11.414 2.331 1.00 0.00 N ATOM 1327 CA GLY B 618 4.731 -11.340 1.575 1.00 0.00 C ATOM 1328 C GLY B 618 4.538 -9.927 1.028 1.00 0.00 C ATOM 1329 O GLY B 618 4.046 -9.741 -0.066 1.00 0.00 O ATOM 0 H GLY B 618 5.915 -11.559 3.336 1.00 0.00 H new ATOM 0 HA2 GLY B 618 4.739 -12.060 0.756 1.00 0.00 H new ATOM 0 HA3 GLY B 618 3.897 -11.606 2.225 1.00 0.00 H new ATOM 1333 N LEU B 619 4.930 -8.925 1.769 1.00 0.00 N ATOM 1334 CA LEU B 619 4.764 -7.536 1.256 1.00 0.00 C ATOM 1335 C LEU B 619 5.666 -7.370 0.035 1.00 0.00 C ATOM 1336 O LEU B 619 5.388 -6.599 -0.860 1.00 0.00 O ATOM 1337 CB LEU B 619 5.151 -6.502 2.331 1.00 0.00 C ATOM 1338 CG LEU B 619 4.776 -7.022 3.715 1.00 0.00 C ATOM 1339 CD1 LEU B 619 5.087 -5.950 4.761 1.00 0.00 C ATOM 1340 CD2 LEU B 619 3.283 -7.357 3.753 1.00 0.00 C ATOM 0 H LEU B 619 5.352 -9.006 2.694 1.00 0.00 H new ATOM 0 HA LEU B 619 3.720 -7.369 0.991 1.00 0.00 H new ATOM 0 HB2 LEU B 619 6.222 -6.302 2.286 1.00 0.00 H new ATOM 0 HB3 LEU B 619 4.642 -5.557 2.138 1.00 0.00 H new ATOM 0 HG LEU B 619 5.352 -7.922 3.932 1.00 0.00 H new ATOM 0 HD11 LEU B 619 4.820 -6.319 5.751 1.00 0.00 H new ATOM 0 HD12 LEU B 619 6.151 -5.715 4.736 1.00 0.00 H new ATOM 0 HD13 LEU B 619 4.512 -5.050 4.542 1.00 0.00 H new ATOM 0 HD21 LEU B 619 3.018 -7.728 4.743 1.00 0.00 H new ATOM 0 HD22 LEU B 619 2.703 -6.460 3.535 1.00 0.00 H new ATOM 0 HD23 LEU B 619 3.063 -8.122 3.008 1.00 0.00 H new ATOM 1352 N CYS B 620 6.754 -8.090 0.004 1.00 0.00 N ATOM 1353 CA CYS B 620 7.693 -7.979 -1.145 1.00 0.00 C ATOM 1354 C CYS B 620 7.028 -8.468 -2.438 1.00 0.00 C ATOM 1355 O CYS B 620 7.019 -7.775 -3.427 1.00 0.00 O ATOM 1356 CB CYS B 620 8.938 -8.822 -0.864 1.00 0.00 C ATOM 1357 SG CYS B 620 10.158 -8.551 -2.174 1.00 0.00 S ATOM 0 H CYS B 620 7.033 -8.752 0.728 1.00 0.00 H new ATOM 0 HA CYS B 620 7.971 -6.932 -1.270 1.00 0.00 H new ATOM 0 HB2 CYS B 620 9.362 -8.553 0.104 1.00 0.00 H new ATOM 0 HB3 CYS B 620 8.672 -9.878 -0.813 1.00 0.00 H new ATOM 0 HG CYS B 620 11.217 -9.266 -1.935 1.00 0.00 H new ATOM 1363 N SER B 621 6.474 -9.652 -2.454 1.00 0.00 N ATOM 1364 CA SER B 621 5.831 -10.147 -3.716 1.00 0.00 C ATOM 1365 C SER B 621 4.420 -9.567 -3.851 1.00 0.00 C ATOM 1366 O SER B 621 3.748 -9.773 -4.842 1.00 0.00 O ATOM 1367 CB SER B 621 5.781 -11.675 -3.722 1.00 0.00 C ATOM 1368 OG SER B 621 5.228 -12.122 -4.953 1.00 0.00 O ATOM 0 H SER B 621 6.437 -10.293 -1.662 1.00 0.00 H new ATOM 0 HA SER B 621 6.428 -9.817 -4.566 1.00 0.00 H new ATOM 0 HB2 SER B 621 6.783 -12.084 -3.590 1.00 0.00 H new ATOM 0 HB3 SER B 621 5.178 -12.034 -2.888 1.00 0.00 H new ATOM 0 HG SER B 621 4.484 -11.537 -5.209 1.00 0.00 H new ATOM 1374 N GLU B 622 3.979 -8.818 -2.883 1.00 0.00 N ATOM 1375 CA GLU B 622 2.628 -8.186 -2.963 1.00 0.00 C ATOM 1376 C GLU B 622 2.780 -6.716 -3.380 1.00 0.00 C ATOM 1377 O GLU B 622 2.041 -6.230 -4.210 1.00 0.00 O ATOM 1378 CB GLU B 622 1.938 -8.276 -1.596 1.00 0.00 C ATOM 1379 CG GLU B 622 0.439 -7.938 -1.723 1.00 0.00 C ATOM 1380 CD GLU B 622 -0.332 -8.549 -0.548 1.00 0.00 C ATOM 1381 OE1 GLU B 622 0.310 -9.059 0.355 1.00 0.00 O ATOM 1382 OE2 GLU B 622 -1.550 -8.496 -0.573 1.00 0.00 O ATOM 0 H GLU B 622 4.499 -8.612 -2.030 1.00 0.00 H new ATOM 0 HA GLU B 622 2.020 -8.708 -3.702 1.00 0.00 H new ATOM 0 HB2 GLU B 622 2.057 -9.280 -1.188 1.00 0.00 H new ATOM 0 HB3 GLU B 622 2.414 -7.589 -0.896 1.00 0.00 H new ATOM 0 HG2 GLU B 622 0.301 -6.857 -1.738 1.00 0.00 H new ATOM 0 HG3 GLU B 622 0.049 -8.322 -2.665 1.00 0.00 H new ATOM 1389 N LEU B 623 3.723 -5.998 -2.828 1.00 0.00 N ATOM 1390 CA LEU B 623 3.892 -4.563 -3.228 1.00 0.00 C ATOM 1391 C LEU B 623 4.819 -4.463 -4.454 1.00 0.00 C ATOM 1392 O LEU B 623 4.845 -3.457 -5.135 1.00 0.00 O ATOM 1393 CB LEU B 623 4.501 -3.762 -2.059 1.00 0.00 C ATOM 1394 CG LEU B 623 3.408 -3.346 -1.059 1.00 0.00 C ATOM 1395 CD1 LEU B 623 2.886 -4.576 -0.310 1.00 0.00 C ATOM 1396 CD2 LEU B 623 3.996 -2.349 -0.052 1.00 0.00 C ATOM 0 H LEU B 623 4.379 -6.336 -2.124 1.00 0.00 H new ATOM 0 HA LEU B 623 2.915 -4.151 -3.481 1.00 0.00 H new ATOM 0 HB2 LEU B 623 5.255 -4.365 -1.552 1.00 0.00 H new ATOM 0 HB3 LEU B 623 5.006 -2.876 -2.443 1.00 0.00 H new ATOM 0 HG LEU B 623 2.584 -2.882 -1.601 1.00 0.00 H new ATOM 0 HD11 LEU B 623 2.113 -4.271 0.395 1.00 0.00 H new ATOM 0 HD12 LEU B 623 2.467 -5.286 -1.023 1.00 0.00 H new ATOM 0 HD13 LEU B 623 3.706 -5.047 0.232 1.00 0.00 H new ATOM 0 HD21 LEU B 623 3.225 -2.052 0.658 1.00 0.00 H new ATOM 0 HD22 LEU B 623 4.822 -2.817 0.484 1.00 0.00 H new ATOM 0 HD23 LEU B 623 4.360 -1.469 -0.582 1.00 0.00 H new ATOM 1408 N MET B 624 5.606 -5.475 -4.723 1.00 0.00 N ATOM 1409 CA MET B 624 6.553 -5.397 -5.881 1.00 0.00 C ATOM 1410 C MET B 624 5.826 -5.580 -7.220 1.00 0.00 C ATOM 1411 O MET B 624 6.261 -5.064 -8.226 1.00 0.00 O ATOM 1412 CB MET B 624 7.631 -6.477 -5.726 1.00 0.00 C ATOM 1413 CG MET B 624 8.658 -6.373 -6.859 1.00 0.00 C ATOM 1414 SD MET B 624 8.017 -7.188 -8.344 1.00 0.00 S ATOM 1415 CE MET B 624 9.616 -7.645 -9.059 1.00 0.00 C ATOM 0 H MET B 624 5.635 -6.347 -4.195 1.00 0.00 H new ATOM 0 HA MET B 624 7.009 -4.407 -5.883 1.00 0.00 H new ATOM 0 HB2 MET B 624 8.130 -6.366 -4.763 1.00 0.00 H new ATOM 0 HB3 MET B 624 7.169 -7.464 -5.734 1.00 0.00 H new ATOM 0 HG2 MET B 624 8.874 -5.326 -7.072 1.00 0.00 H new ATOM 0 HG3 MET B 624 9.597 -6.836 -6.555 1.00 0.00 H new ATOM 0 HE1 MET B 624 9.461 -8.090 -10.042 1.00 0.00 H new ATOM 0 HE2 MET B 624 10.238 -6.755 -9.158 1.00 0.00 H new ATOM 0 HE3 MET B 624 10.113 -8.365 -8.409 1.00 0.00 H new ATOM 1425 N ALA B 625 4.723 -6.290 -7.256 1.00 0.00 N ATOM 1426 CA ALA B 625 3.988 -6.474 -8.558 1.00 0.00 C ATOM 1427 C ALA B 625 2.782 -5.538 -8.590 1.00 0.00 C ATOM 1428 O ALA B 625 2.137 -5.389 -9.609 1.00 0.00 O ATOM 1429 CB ALA B 625 3.554 -7.929 -8.742 1.00 0.00 C ATOM 0 H ALA B 625 4.299 -6.748 -6.449 1.00 0.00 H new ATOM 0 HA ALA B 625 4.656 -6.227 -9.383 1.00 0.00 H new ATOM 0 HB1 ALA B 625 3.026 -8.034 -9.690 1.00 0.00 H new ATOM 0 HB2 ALA B 625 4.433 -8.574 -8.743 1.00 0.00 H new ATOM 0 HB3 ALA B 625 2.893 -8.218 -7.924 1.00 0.00 H new ATOM 1435 N LYS B 626 2.519 -4.844 -7.520 1.00 0.00 N ATOM 1436 CA LYS B 626 1.410 -3.844 -7.532 1.00 0.00 C ATOM 1437 C LYS B 626 2.077 -2.498 -7.839 1.00 0.00 C ATOM 1438 O LYS B 626 1.438 -1.509 -8.138 1.00 0.00 O ATOM 1439 CB LYS B 626 0.714 -3.816 -6.153 1.00 0.00 C ATOM 1440 CG LYS B 626 -0.598 -4.614 -6.205 1.00 0.00 C ATOM 1441 CD LYS B 626 -0.307 -6.076 -6.561 1.00 0.00 C ATOM 1442 CE LYS B 626 -1.535 -6.933 -6.242 1.00 0.00 C ATOM 1443 NZ LYS B 626 -1.220 -8.367 -6.491 1.00 0.00 N ATOM 0 H LYS B 626 3.022 -4.924 -6.636 1.00 0.00 H new ATOM 0 HA LYS B 626 0.644 -4.082 -8.270 1.00 0.00 H new ATOM 0 HB2 LYS B 626 1.375 -4.237 -5.395 1.00 0.00 H new ATOM 0 HB3 LYS B 626 0.510 -2.786 -5.861 1.00 0.00 H new ATOM 0 HG2 LYS B 626 -1.105 -4.559 -5.242 1.00 0.00 H new ATOM 0 HG3 LYS B 626 -1.270 -4.178 -6.944 1.00 0.00 H new ATOM 0 HD2 LYS B 626 -0.056 -6.161 -7.618 1.00 0.00 H new ATOM 0 HD3 LYS B 626 0.555 -6.434 -5.999 1.00 0.00 H new ATOM 0 HE2 LYS B 626 -1.831 -6.790 -5.203 1.00 0.00 H new ATOM 0 HE3 LYS B 626 -2.378 -6.623 -6.859 1.00 0.00 H new ATOM 0 HZ1 LYS B 626 -2.055 -8.948 -6.274 1.00 0.00 H new ATOM 0 HZ2 LYS B 626 -0.958 -8.497 -7.489 1.00 0.00 H new ATOM 0 HZ3 LYS B 626 -0.428 -8.659 -5.884 1.00 0.00 H new ATOM 1457 N ALA B 627 3.383 -2.489 -7.757 1.00 0.00 N ATOM 1458 CA ALA B 627 4.186 -1.261 -8.026 1.00 0.00 C ATOM 1459 C ALA B 627 3.756 -0.598 -9.338 1.00 0.00 C ATOM 1460 O ALA B 627 3.410 -1.256 -10.298 1.00 0.00 O ATOM 1461 CB ALA B 627 5.661 -1.667 -8.126 1.00 0.00 C ATOM 0 H ALA B 627 3.940 -3.306 -7.507 1.00 0.00 H new ATOM 0 HA ALA B 627 4.030 -0.547 -7.218 1.00 0.00 H new ATOM 0 HB1 ALA B 627 6.269 -0.784 -8.323 1.00 0.00 H new ATOM 0 HB2 ALA B 627 5.977 -2.124 -7.188 1.00 0.00 H new ATOM 0 HB3 ALA B 627 5.787 -2.383 -8.938 1.00 0.00 H new ATOM 1467 N LYS B 628 3.797 0.714 -9.379 1.00 0.00 N ATOM 1468 CA LYS B 628 3.419 1.466 -10.617 1.00 0.00 C ATOM 1469 C LYS B 628 4.575 2.402 -10.988 1.00 0.00 C ATOM 1470 O LYS B 628 4.645 3.530 -10.537 1.00 0.00 O ATOM 1471 CB LYS B 628 2.159 2.293 -10.349 1.00 0.00 C ATOM 1472 CG LYS B 628 1.028 1.367 -9.897 1.00 0.00 C ATOM 1473 CD LYS B 628 -0.118 2.201 -9.316 1.00 0.00 C ATOM 1474 CE LYS B 628 -0.575 3.241 -10.343 1.00 0.00 C ATOM 1475 NZ LYS B 628 -1.933 3.734 -9.977 1.00 0.00 N ATOM 0 H LYS B 628 4.080 1.302 -8.595 1.00 0.00 H new ATOM 0 HA LYS B 628 3.222 0.770 -11.433 1.00 0.00 H new ATOM 0 HB2 LYS B 628 2.359 3.042 -9.582 1.00 0.00 H new ATOM 0 HB3 LYS B 628 1.865 2.830 -11.251 1.00 0.00 H new ATOM 0 HG2 LYS B 628 0.670 0.776 -10.740 1.00 0.00 H new ATOM 0 HG3 LYS B 628 1.396 0.665 -9.149 1.00 0.00 H new ATOM 0 HD2 LYS B 628 -0.951 1.552 -9.046 1.00 0.00 H new ATOM 0 HD3 LYS B 628 0.208 2.698 -8.402 1.00 0.00 H new ATOM 0 HE2 LYS B 628 0.130 4.072 -10.374 1.00 0.00 H new ATOM 0 HE3 LYS B 628 -0.592 2.801 -11.340 1.00 0.00 H new ATOM 0 HZ1 LYS B 628 -2.245 4.441 -10.673 1.00 0.00 H new ATOM 0 HZ2 LYS B 628 -2.601 2.937 -9.969 1.00 0.00 H new ATOM 0 HZ3 LYS B 628 -1.902 4.169 -9.033 1.00 0.00 H new ATOM 1489 N CYS B 629 5.501 1.919 -11.773 1.00 0.00 N ATOM 1490 CA CYS B 629 6.683 2.748 -12.156 1.00 0.00 C ATOM 1491 C CYS B 629 6.256 4.134 -12.653 1.00 0.00 C ATOM 1492 O CYS B 629 5.545 4.284 -13.626 1.00 0.00 O ATOM 1493 CB CYS B 629 7.486 2.040 -13.250 1.00 0.00 C ATOM 1494 SG CYS B 629 8.753 3.166 -13.889 1.00 0.00 S ATOM 0 H CYS B 629 5.490 0.979 -12.169 1.00 0.00 H new ATOM 0 HA CYS B 629 7.302 2.877 -11.268 1.00 0.00 H new ATOM 0 HB2 CYS B 629 7.952 1.140 -12.850 1.00 0.00 H new ATOM 0 HB3 CYS B 629 6.824 1.724 -14.056 1.00 0.00 H new ATOM 1499 N SER B 630 6.735 5.144 -11.975 1.00 0.00 N ATOM 1500 CA SER B 630 6.437 6.559 -12.353 1.00 0.00 C ATOM 1501 C SER B 630 7.696 7.391 -12.089 1.00 0.00 C ATOM 1502 O SER B 630 8.566 6.973 -11.351 1.00 0.00 O ATOM 1503 CB SER B 630 5.279 7.087 -11.505 1.00 0.00 C ATOM 1504 OG SER B 630 4.155 6.230 -11.660 1.00 0.00 O ATOM 0 H SER B 630 7.334 5.045 -11.156 1.00 0.00 H new ATOM 0 HA SER B 630 6.154 6.622 -13.404 1.00 0.00 H new ATOM 0 HB2 SER B 630 5.573 7.134 -10.456 1.00 0.00 H new ATOM 0 HB3 SER B 630 5.022 8.101 -11.810 1.00 0.00 H new ATOM 0 HG SER B 630 4.329 5.378 -11.209 1.00 0.00 H new ATOM 1510 N GLU B 631 7.821 8.557 -12.668 1.00 0.00 N ATOM 1511 CA GLU B 631 9.046 9.368 -12.412 1.00 0.00 C ATOM 1512 C GLU B 631 9.113 9.712 -10.925 1.00 0.00 C ATOM 1513 O GLU B 631 10.176 9.925 -10.376 1.00 0.00 O ATOM 1514 CB GLU B 631 9.015 10.650 -13.248 1.00 0.00 C ATOM 1515 CG GLU B 631 8.813 10.299 -14.725 1.00 0.00 C ATOM 1516 CD GLU B 631 10.094 9.677 -15.283 1.00 0.00 C ATOM 1517 OE1 GLU B 631 11.134 10.303 -15.162 1.00 0.00 O ATOM 1518 OE2 GLU B 631 10.013 8.586 -15.823 1.00 0.00 O ATOM 0 H GLU B 631 7.138 8.977 -13.298 1.00 0.00 H new ATOM 0 HA GLU B 631 9.929 8.794 -12.695 1.00 0.00 H new ATOM 0 HB2 GLU B 631 8.210 11.300 -12.905 1.00 0.00 H new ATOM 0 HB3 GLU B 631 9.946 11.202 -13.120 1.00 0.00 H new ATOM 0 HG2 GLU B 631 7.981 9.603 -14.834 1.00 0.00 H new ATOM 0 HG3 GLU B 631 8.555 11.195 -15.290 1.00 0.00 H new ATOM 1525 N ARG B 632 7.995 9.729 -10.256 1.00 0.00 N ATOM 1526 CA ARG B 632 8.013 10.013 -8.795 1.00 0.00 C ATOM 1527 C ARG B 632 8.402 8.717 -8.083 1.00 0.00 C ATOM 1528 O ARG B 632 7.939 8.416 -7.001 1.00 0.00 O ATOM 1529 CB ARG B 632 6.623 10.466 -8.340 1.00 0.00 C ATOM 1530 CG ARG B 632 6.276 11.794 -9.018 1.00 0.00 C ATOM 1531 CD ARG B 632 4.864 12.226 -8.616 1.00 0.00 C ATOM 1532 NE ARG B 632 4.768 12.297 -7.131 1.00 0.00 N ATOM 1533 CZ ARG B 632 3.766 12.918 -6.570 1.00 0.00 C ATOM 1534 NH1 ARG B 632 2.844 13.471 -7.309 1.00 0.00 N ATOM 1535 NH2 ARG B 632 3.685 12.985 -5.269 1.00 0.00 N ATOM 0 H ARG B 632 7.072 9.559 -10.656 1.00 0.00 H new ATOM 0 HA ARG B 632 8.724 10.806 -8.561 1.00 0.00 H new ATOM 0 HB2 ARG B 632 5.880 9.710 -8.594 1.00 0.00 H new ATOM 0 HB3 ARG B 632 6.602 10.582 -7.256 1.00 0.00 H new ATOM 0 HG2 ARG B 632 6.997 12.559 -8.730 1.00 0.00 H new ATOM 0 HG3 ARG B 632 6.340 11.688 -10.101 1.00 0.00 H new ATOM 0 HD2 ARG B 632 4.632 13.197 -9.053 1.00 0.00 H new ATOM 0 HD3 ARG B 632 4.132 11.518 -9.005 1.00 0.00 H new ATOM 0 HE ARG B 632 5.485 11.860 -6.552 1.00 0.00 H new ATOM 0 HH11 ARG B 632 2.906 13.418 -8.326 1.00 0.00 H new ATOM 0 HH12 ARG B 632 2.061 13.956 -6.870 1.00 0.00 H new ATOM 0 HH21 ARG B 632 4.405 12.552 -4.690 1.00 0.00 H new ATOM 0 HH22 ARG B 632 2.902 13.470 -4.831 1.00 0.00 H new ATOM 1549 N GLY B 633 9.235 7.936 -8.720 1.00 0.00 N ATOM 1550 CA GLY B 633 9.652 6.634 -8.132 1.00 0.00 C ATOM 1551 C GLY B 633 8.454 5.690 -8.196 1.00 0.00 C ATOM 1552 O GLY B 633 7.452 6.003 -8.808 1.00 0.00 O ATOM 0 H GLY B 633 9.646 8.148 -9.629 1.00 0.00 H new ATOM 0 HA2 GLY B 633 10.496 6.219 -8.683 1.00 0.00 H new ATOM 0 HA3 GLY B 633 9.979 6.767 -7.101 1.00 0.00 H new ATOM 1556 N VAL B 634 8.520 4.549 -7.571 1.00 0.00 N ATOM 1557 CA VAL B 634 7.362 3.618 -7.606 1.00 0.00 C ATOM 1558 C VAL B 634 6.255 4.157 -6.705 1.00 0.00 C ATOM 1559 O VAL B 634 6.524 4.645 -5.625 1.00 0.00 O ATOM 1560 CB VAL B 634 7.813 2.259 -7.063 1.00 0.00 C ATOM 1561 CG1 VAL B 634 8.395 2.428 -5.655 1.00 0.00 C ATOM 1562 CG2 VAL B 634 6.615 1.313 -6.995 1.00 0.00 C ATOM 0 H VAL B 634 9.326 4.222 -7.038 1.00 0.00 H new ATOM 0 HA VAL B 634 6.995 3.521 -8.628 1.00 0.00 H new ATOM 0 HB VAL B 634 8.574 1.847 -7.726 1.00 0.00 H new ATOM 0 HG11 VAL B 634 8.714 1.458 -5.274 1.00 0.00 H new ATOM 0 HG12 VAL B 634 9.251 3.102 -5.694 1.00 0.00 H new ATOM 0 HG13 VAL B 634 7.635 2.845 -4.995 1.00 0.00 H new ATOM 0 HG21 VAL B 634 6.937 0.346 -6.608 1.00 0.00 H new ATOM 0 HG22 VAL B 634 5.856 1.734 -6.335 1.00 0.00 H new ATOM 0 HG23 VAL B 634 6.196 1.184 -7.993 1.00 0.00 H new ATOM 1572 N VAL B 635 5.013 4.074 -7.123 1.00 0.00 N ATOM 1573 CA VAL B 635 3.895 4.584 -6.260 1.00 0.00 C ATOM 1574 C VAL B 635 2.770 3.547 -6.208 1.00 0.00 C ATOM 1575 O VAL B 635 2.392 2.965 -7.206 1.00 0.00 O ATOM 1576 CB VAL B 635 3.366 5.901 -6.825 1.00 0.00 C ATOM 1577 CG1 VAL B 635 4.446 6.978 -6.710 1.00 0.00 C ATOM 1578 CG2 VAL B 635 2.995 5.708 -8.297 1.00 0.00 C ATOM 0 H VAL B 635 4.725 3.678 -8.018 1.00 0.00 H new ATOM 0 HA VAL B 635 4.268 4.756 -5.250 1.00 0.00 H new ATOM 0 HB VAL B 635 2.485 6.210 -6.263 1.00 0.00 H new ATOM 0 HG11 VAL B 635 4.068 7.917 -7.113 1.00 0.00 H new ATOM 0 HG12 VAL B 635 4.713 7.115 -5.662 1.00 0.00 H new ATOM 0 HG13 VAL B 635 5.328 6.671 -7.272 1.00 0.00 H new ATOM 0 HG21 VAL B 635 2.617 6.646 -8.703 1.00 0.00 H new ATOM 0 HG22 VAL B 635 3.878 5.400 -8.857 1.00 0.00 H new ATOM 0 HG23 VAL B 635 2.226 4.940 -8.381 1.00 0.00 H new ATOM 1588 N ILE B 636 2.238 3.316 -5.032 1.00 0.00 N ATOM 1589 CA ILE B 636 1.135 2.320 -4.861 1.00 0.00 C ATOM 1590 C ILE B 636 0.051 2.930 -3.970 1.00 0.00 C ATOM 1591 O ILE B 636 0.314 3.809 -3.174 1.00 0.00 O ATOM 1592 CB ILE B 636 1.684 1.059 -4.188 1.00 0.00 C ATOM 1593 CG1 ILE B 636 2.696 0.380 -5.113 1.00 0.00 C ATOM 1594 CG2 ILE B 636 0.534 0.092 -3.900 1.00 0.00 C ATOM 1595 CD1 ILE B 636 3.460 -0.692 -4.331 1.00 0.00 C ATOM 0 H ILE B 636 2.526 3.782 -4.172 1.00 0.00 H new ATOM 0 HA ILE B 636 0.719 2.061 -5.835 1.00 0.00 H new ATOM 0 HB ILE B 636 2.174 1.334 -3.254 1.00 0.00 H new ATOM 0 HG12 ILE B 636 2.183 -0.070 -5.963 1.00 0.00 H new ATOM 0 HG13 ILE B 636 3.391 1.118 -5.514 1.00 0.00 H new ATOM 0 HG21 ILE B 636 0.925 -0.806 -3.421 1.00 0.00 H new ATOM 0 HG22 ILE B 636 -0.188 0.571 -3.239 1.00 0.00 H new ATOM 0 HG23 ILE B 636 0.044 -0.180 -4.835 1.00 0.00 H new ATOM 0 HD11 ILE B 636 4.182 -1.177 -4.988 1.00 0.00 H new ATOM 0 HD12 ILE B 636 3.985 -0.228 -3.496 1.00 0.00 H new ATOM 0 HD13 ILE B 636 2.758 -1.435 -3.952 1.00 0.00 H new ATOM 1607 N ASN B 637 -1.166 2.477 -4.096 1.00 0.00 N ATOM 1608 CA ASN B 637 -2.261 3.041 -3.254 1.00 0.00 C ATOM 1609 C ASN B 637 -2.248 2.390 -1.867 1.00 0.00 C ATOM 1610 O ASN B 637 -2.175 1.185 -1.728 1.00 0.00 O ATOM 1611 CB ASN B 637 -3.610 2.784 -3.928 1.00 0.00 C ATOM 1612 CG ASN B 637 -3.616 3.415 -5.321 1.00 0.00 C ATOM 1613 OD1 ASN B 637 -4.481 4.208 -5.638 1.00 0.00 O ATOM 1614 ND2 ASN B 637 -2.681 3.096 -6.174 1.00 0.00 N ATOM 0 H ASN B 637 -1.450 1.742 -4.744 1.00 0.00 H new ATOM 0 HA ASN B 637 -2.107 4.114 -3.144 1.00 0.00 H new ATOM 0 HB2 ASN B 637 -3.792 1.712 -4.003 1.00 0.00 H new ATOM 0 HB3 ASN B 637 -4.415 3.203 -3.324 1.00 0.00 H new ATOM 0 HD21 ASN B 637 -2.677 3.512 -7.105 1.00 0.00 H new ATOM 0 HD22 ASN B 637 -1.955 2.431 -5.909 1.00 0.00 H new ATOM 1621 N ALA B 638 -2.326 3.195 -0.841 1.00 0.00 N ATOM 1622 CA ALA B 638 -2.330 2.666 0.555 1.00 0.00 C ATOM 1623 C ALA B 638 -3.407 1.588 0.712 1.00 0.00 C ATOM 1624 O ALA B 638 -3.455 0.892 1.705 1.00 0.00 O ATOM 1625 CB ALA B 638 -2.613 3.810 1.532 1.00 0.00 C ATOM 0 H ALA B 638 -2.388 4.211 -0.912 1.00 0.00 H new ATOM 0 HA ALA B 638 -1.355 2.228 0.769 1.00 0.00 H new ATOM 0 HB1 ALA B 638 -2.616 3.425 2.552 1.00 0.00 H new ATOM 0 HB2 ALA B 638 -1.840 4.572 1.434 1.00 0.00 H new ATOM 0 HB3 ALA B 638 -3.585 4.249 1.307 1.00 0.00 H new ATOM 1631 N GLU B 639 -4.268 1.436 -0.251 1.00 0.00 N ATOM 1632 CA GLU B 639 -5.325 0.391 -0.136 1.00 0.00 C ATOM 1633 C GLU B 639 -4.721 -0.984 -0.440 1.00 0.00 C ATOM 1634 O GLU B 639 -5.254 -1.999 -0.036 1.00 0.00 O ATOM 1635 CB GLU B 639 -6.470 0.695 -1.105 1.00 0.00 C ATOM 1636 CG GLU B 639 -7.696 -0.139 -0.731 1.00 0.00 C ATOM 1637 CD GLU B 639 -8.875 0.262 -1.617 1.00 0.00 C ATOM 1638 OE1 GLU B 639 -8.869 -0.105 -2.781 1.00 0.00 O ATOM 1639 OE2 GLU B 639 -9.765 0.931 -1.118 1.00 0.00 O ATOM 0 H GLU B 639 -4.288 1.986 -1.110 1.00 0.00 H new ATOM 0 HA GLU B 639 -5.722 0.389 0.879 1.00 0.00 H new ATOM 0 HB2 GLU B 639 -6.716 1.756 -1.071 1.00 0.00 H new ATOM 0 HB3 GLU B 639 -6.164 0.471 -2.127 1.00 0.00 H new ATOM 0 HG2 GLU B 639 -7.479 -1.200 -0.855 1.00 0.00 H new ATOM 0 HG3 GLU B 639 -7.947 0.015 0.318 1.00 0.00 H new ATOM 1646 N ASP B 640 -3.597 -1.042 -1.104 1.00 0.00 N ATOM 1647 CA ASP B 640 -2.962 -2.371 -1.369 1.00 0.00 C ATOM 1648 C ASP B 640 -2.038 -2.717 -0.194 1.00 0.00 C ATOM 1649 O ASP B 640 -1.947 -3.856 0.220 1.00 0.00 O ATOM 1650 CB ASP B 640 -2.164 -2.328 -2.674 1.00 0.00 C ATOM 1651 CG ASP B 640 -1.380 -3.632 -2.833 1.00 0.00 C ATOM 1652 OD1 ASP B 640 -1.985 -4.683 -2.700 1.00 0.00 O ATOM 1653 OD2 ASP B 640 -0.188 -3.558 -3.083 1.00 0.00 O ATOM 0 H ASP B 640 -3.093 -0.235 -1.472 1.00 0.00 H new ATOM 0 HA ASP B 640 -3.734 -3.134 -1.468 1.00 0.00 H new ATOM 0 HB2 ASP B 640 -2.837 -2.190 -3.520 1.00 0.00 H new ATOM 0 HB3 ASP B 640 -1.481 -1.479 -2.668 1.00 0.00 H new ATOM 1658 N VAL B 641 -1.368 -1.744 0.359 1.00 0.00 N ATOM 1659 CA VAL B 641 -0.470 -2.018 1.521 1.00 0.00 C ATOM 1660 C VAL B 641 -1.324 -2.214 2.778 1.00 0.00 C ATOM 1661 O VAL B 641 -0.948 -2.915 3.695 1.00 0.00 O ATOM 1662 CB VAL B 641 0.501 -0.840 1.709 1.00 0.00 C ATOM 1663 CG1 VAL B 641 0.978 -0.358 0.335 1.00 0.00 C ATOM 1664 CG2 VAL B 641 -0.186 0.320 2.457 1.00 0.00 C ATOM 0 H VAL B 641 -1.402 -0.770 0.058 1.00 0.00 H new ATOM 0 HA VAL B 641 0.111 -2.923 1.340 1.00 0.00 H new ATOM 0 HB VAL B 641 1.352 -1.175 2.302 1.00 0.00 H new ATOM 0 HG11 VAL B 641 1.667 0.477 0.461 1.00 0.00 H new ATOM 0 HG12 VAL B 641 1.487 -1.173 -0.180 1.00 0.00 H new ATOM 0 HG13 VAL B 641 0.120 -0.035 -0.255 1.00 0.00 H new ATOM 0 HG21 VAL B 641 0.519 1.142 2.579 1.00 0.00 H new ATOM 0 HG22 VAL B 641 -1.048 0.663 1.884 1.00 0.00 H new ATOM 0 HG23 VAL B 641 -0.516 -0.024 3.437 1.00 0.00 H new ATOM 1674 N GLN B 642 -2.479 -1.616 2.813 1.00 0.00 N ATOM 1675 CA GLN B 642 -3.369 -1.784 3.998 1.00 0.00 C ATOM 1676 C GLN B 642 -4.038 -3.158 3.918 1.00 0.00 C ATOM 1677 O GLN B 642 -4.272 -3.806 4.919 1.00 0.00 O ATOM 1678 CB GLN B 642 -4.433 -0.681 4.013 1.00 0.00 C ATOM 1679 CG GLN B 642 -5.219 -0.732 5.328 1.00 0.00 C ATOM 1680 CD GLN B 642 -6.215 -1.893 5.290 1.00 0.00 C ATOM 1681 OE1 GLN B 642 -6.998 -2.007 4.368 1.00 0.00 O ATOM 1682 NE2 GLN B 642 -6.219 -2.765 6.260 1.00 0.00 N ATOM 0 H GLN B 642 -2.848 -1.018 2.074 1.00 0.00 H new ATOM 0 HA GLN B 642 -2.783 -1.712 4.915 1.00 0.00 H new ATOM 0 HB2 GLN B 642 -3.960 0.294 3.900 1.00 0.00 H new ATOM 0 HB3 GLN B 642 -5.111 -0.806 3.169 1.00 0.00 H new ATOM 0 HG2 GLN B 642 -4.534 -0.855 6.167 1.00 0.00 H new ATOM 0 HG3 GLN B 642 -5.748 0.208 5.483 1.00 0.00 H new ATOM 0 HE21 GLN B 642 -5.562 -2.670 7.034 1.00 0.00 H new ATOM 0 HE22 GLN B 642 -6.879 -3.542 6.244 1.00 0.00 H new ATOM 1691 N LEU B 643 -4.321 -3.621 2.730 1.00 0.00 N ATOM 1692 CA LEU B 643 -4.944 -4.967 2.578 1.00 0.00 C ATOM 1693 C LEU B 643 -3.836 -6.021 2.566 1.00 0.00 C ATOM 1694 O LEU B 643 -4.067 -7.170 2.879 1.00 0.00 O ATOM 1695 CB LEU B 643 -5.735 -5.040 1.268 1.00 0.00 C ATOM 1696 CG LEU B 643 -6.985 -4.152 1.348 1.00 0.00 C ATOM 1697 CD1 LEU B 643 -7.658 -4.114 -0.029 1.00 0.00 C ATOM 1698 CD2 LEU B 643 -7.976 -4.708 2.392 1.00 0.00 C ATOM 0 H LEU B 643 -4.147 -3.124 1.857 1.00 0.00 H new ATOM 0 HA LEU B 643 -5.627 -5.148 3.408 1.00 0.00 H new ATOM 0 HB2 LEU B 643 -5.106 -4.720 0.437 1.00 0.00 H new ATOM 0 HB3 LEU B 643 -6.026 -6.071 1.068 1.00 0.00 H new ATOM 0 HG LEU B 643 -6.691 -3.146 1.649 1.00 0.00 H new ATOM 0 HD11 LEU B 643 -8.547 -3.485 0.018 1.00 0.00 H new ATOM 0 HD12 LEU B 643 -6.963 -3.705 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU B 643 -7.943 -5.124 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU B 643 -8.856 -4.067 2.436 1.00 0.00 H new ATOM 0 HD22 LEU B 643 -8.276 -5.717 2.108 1.00 0.00 H new ATOM 0 HD23 LEU B 643 -7.497 -4.734 3.371 1.00 0.00 H new ATOM 1710 N ALA B 644 -2.628 -5.641 2.249 1.00 0.00 N ATOM 1711 CA ALA B 644 -1.511 -6.633 2.265 1.00 0.00 C ATOM 1712 C ALA B 644 -0.959 -6.711 3.689 1.00 0.00 C ATOM 1713 O ALA B 644 -0.448 -7.728 4.115 1.00 0.00 O ATOM 1714 CB ALA B 644 -0.404 -6.196 1.305 1.00 0.00 C ATOM 0 H ALA B 644 -2.365 -4.693 1.981 1.00 0.00 H new ATOM 0 HA ALA B 644 -1.877 -7.609 1.947 1.00 0.00 H new ATOM 0 HB1 ALA B 644 0.405 -6.927 1.325 1.00 0.00 H new ATOM 0 HB2 ALA B 644 -0.805 -6.127 0.294 1.00 0.00 H new ATOM 0 HB3 ALA B 644 -0.021 -5.222 1.610 1.00 0.00 H new ATOM 1720 N LEU B 645 -1.073 -5.646 4.430 1.00 0.00 N ATOM 1721 CA LEU B 645 -0.575 -5.646 5.835 1.00 0.00 C ATOM 1722 C LEU B 645 -1.677 -6.160 6.767 1.00 0.00 C ATOM 1723 O LEU B 645 -1.407 -6.626 7.856 1.00 0.00 O ATOM 1724 CB LEU B 645 -0.196 -4.217 6.242 1.00 0.00 C ATOM 1725 CG LEU B 645 1.072 -3.764 5.497 1.00 0.00 C ATOM 1726 CD1 LEU B 645 1.220 -2.244 5.634 1.00 0.00 C ATOM 1727 CD2 LEU B 645 2.318 -4.447 6.090 1.00 0.00 C ATOM 0 H LEU B 645 -1.492 -4.769 4.122 1.00 0.00 H new ATOM 0 HA LEU B 645 0.299 -6.293 5.910 1.00 0.00 H new ATOM 0 HB2 LEU B 645 -1.019 -3.538 6.018 1.00 0.00 H new ATOM 0 HB3 LEU B 645 -0.029 -4.171 7.318 1.00 0.00 H new ATOM 0 HG LEU B 645 0.982 -4.042 4.447 1.00 0.00 H new ATOM 0 HD11 LEU B 645 2.117 -1.917 5.108 1.00 0.00 H new ATOM 0 HD12 LEU B 645 0.347 -1.753 5.203 1.00 0.00 H new ATOM 0 HD13 LEU B 645 1.301 -1.980 6.688 1.00 0.00 H new ATOM 0 HD21 LEU B 645 3.206 -4.115 5.551 1.00 0.00 H new ATOM 0 HD22 LEU B 645 2.412 -4.181 7.143 1.00 0.00 H new ATOM 0 HD23 LEU B 645 2.220 -5.528 5.996 1.00 0.00 H new ATOM 1739 N ASN B 646 -2.918 -6.065 6.364 1.00 0.00 N ATOM 1740 CA ASN B 646 -4.033 -6.534 7.246 1.00 0.00 C ATOM 1741 C ASN B 646 -4.419 -7.982 6.915 1.00 0.00 C ATOM 1742 O ASN B 646 -5.131 -8.620 7.666 1.00 0.00 O ATOM 1743 CB ASN B 646 -5.252 -5.632 7.041 1.00 0.00 C ATOM 1744 CG ASN B 646 -6.346 -6.017 8.038 1.00 0.00 C ATOM 1745 OD1 ASN B 646 -7.456 -6.327 7.651 1.00 0.00 O ATOM 1746 ND2 ASN B 646 -6.080 -6.013 9.316 1.00 0.00 N ATOM 0 H ASN B 646 -3.209 -5.684 5.464 1.00 0.00 H new ATOM 0 HA ASN B 646 -3.698 -6.489 8.282 1.00 0.00 H new ATOM 0 HB2 ASN B 646 -4.972 -4.588 7.178 1.00 0.00 H new ATOM 0 HB3 ASN B 646 -5.624 -5.731 6.021 1.00 0.00 H new ATOM 0 HD21 ASN B 646 -6.803 -6.270 9.988 1.00 0.00 H new ATOM 0 HD22 ASN B 646 -5.149 -5.753 9.642 1.00 0.00 H new ATOM 1753 N LYS B 647 -3.969 -8.516 5.807 1.00 0.00 N ATOM 1754 CA LYS B 647 -4.334 -9.927 5.459 1.00 0.00 C ATOM 1755 C LYS B 647 -3.277 -10.891 6.011 1.00 0.00 C ATOM 1756 O LYS B 647 -3.454 -12.093 5.988 1.00 0.00 O ATOM 1757 CB LYS B 647 -4.433 -10.081 3.931 1.00 0.00 C ATOM 1758 CG LYS B 647 -3.034 -10.127 3.302 1.00 0.00 C ATOM 1759 CD LYS B 647 -3.144 -9.959 1.783 1.00 0.00 C ATOM 1760 CE LYS B 647 -3.876 -11.160 1.178 1.00 0.00 C ATOM 1761 NZ LYS B 647 -3.638 -11.198 -0.292 1.00 0.00 N ATOM 0 H LYS B 647 -3.369 -8.042 5.132 1.00 0.00 H new ATOM 0 HA LYS B 647 -5.300 -10.164 5.905 1.00 0.00 H new ATOM 0 HB2 LYS B 647 -4.978 -10.993 3.686 1.00 0.00 H new ATOM 0 HB3 LYS B 647 -4.999 -9.249 3.512 1.00 0.00 H new ATOM 0 HG2 LYS B 647 -2.411 -9.337 3.721 1.00 0.00 H new ATOM 0 HG3 LYS B 647 -2.550 -11.074 3.539 1.00 0.00 H new ATOM 0 HD2 LYS B 647 -3.680 -9.039 1.548 1.00 0.00 H new ATOM 0 HD3 LYS B 647 -2.150 -9.870 1.345 1.00 0.00 H new ATOM 0 HE2 LYS B 647 -3.524 -12.083 1.638 1.00 0.00 H new ATOM 0 HE3 LYS B 647 -4.944 -11.089 1.382 1.00 0.00 H new ATOM 0 HZ1 LYS B 647 -4.135 -12.014 -0.703 1.00 0.00 H new ATOM 0 HZ2 LYS B 647 -3.994 -10.322 -0.724 1.00 0.00 H new ATOM 0 HZ3 LYS B 647 -2.618 -11.285 -0.476 1.00 0.00 H new ATOM 1775 N HIS B 648 -2.179 -10.371 6.501 1.00 0.00 N ATOM 1776 CA HIS B 648 -1.095 -11.246 7.054 1.00 0.00 C ATOM 1777 C HIS B 648 -1.004 -11.050 8.568 1.00 0.00 C ATOM 1778 O HIS B 648 -0.017 -11.390 9.189 1.00 0.00 O ATOM 1779 CB HIS B 648 0.238 -10.855 6.413 1.00 0.00 C ATOM 1780 CG HIS B 648 0.197 -11.170 4.943 1.00 0.00 C ATOM 1781 ND1 HIS B 648 -0.350 -12.346 4.455 1.00 0.00 N ATOM 1782 CD2 HIS B 648 0.627 -10.471 3.843 1.00 0.00 C ATOM 1783 CE1 HIS B 648 -0.235 -12.321 3.115 1.00 0.00 C ATOM 1784 NE2 HIS B 648 0.353 -11.200 2.689 1.00 0.00 N ATOM 0 H HIS B 648 -1.984 -9.371 6.543 1.00 0.00 H new ATOM 0 HA HIS B 648 -1.319 -12.290 6.836 1.00 0.00 H new ATOM 0 HB2 HIS B 648 0.428 -9.792 6.563 1.00 0.00 H new ATOM 0 HB3 HIS B 648 1.056 -11.396 6.889 1.00 0.00 H new ATOM 0 HD2 HIS B 648 1.105 -9.503 3.869 1.00 0.00 H new ATOM 0 HE1 HIS B 648 -0.577 -13.111 2.463 1.00 0.00 H new ATOM 0 HE2 HIS B 648 0.557 -10.935 1.725 1.00 0.00 H new ATOM 1792 N MET B 649 -2.029 -10.506 9.170 1.00 0.00 N ATOM 1793 CA MET B 649 -2.009 -10.287 10.649 1.00 0.00 C ATOM 1794 C MET B 649 -2.716 -11.451 11.344 1.00 0.00 C ATOM 1795 O MET B 649 -3.928 -11.503 11.413 1.00 0.00 O ATOM 1796 CB MET B 649 -2.736 -8.981 10.978 1.00 0.00 C ATOM 1797 CG MET B 649 -2.427 -8.574 12.420 1.00 0.00 C ATOM 1798 SD MET B 649 -0.711 -8.006 12.531 1.00 0.00 S ATOM 1799 CE MET B 649 -1.010 -6.281 12.071 1.00 0.00 C ATOM 0 H MET B 649 -2.882 -10.203 8.701 1.00 0.00 H new ATOM 0 HA MET B 649 -0.977 -10.228 10.996 1.00 0.00 H new ATOM 0 HB2 MET B 649 -2.422 -8.195 10.292 1.00 0.00 H new ATOM 0 HB3 MET B 649 -3.811 -9.108 10.847 1.00 0.00 H new ATOM 0 HG2 MET B 649 -3.105 -7.782 12.739 1.00 0.00 H new ATOM 0 HG3 MET B 649 -2.586 -9.419 13.090 1.00 0.00 H new ATOM 0 HE1 MET B 649 -0.192 -5.924 11.446 1.00 0.00 H new ATOM 0 HE2 MET B 649 -1.947 -6.209 11.518 1.00 0.00 H new ATOM 0 HE3 MET B 649 -1.072 -5.670 12.971 1.00 0.00 H new ATOM 1809 N ASN B 650 -1.968 -12.388 11.861 1.00 0.00 N ATOM 1810 CA ASN B 650 -2.595 -13.550 12.554 1.00 0.00 C ATOM 1811 C ASN B 650 -2.926 -13.164 13.997 1.00 0.00 C ATOM 1812 O ASN B 650 -3.386 -14.024 14.729 1.00 0.00 O ATOM 1813 CB ASN B 650 -1.620 -14.729 12.552 1.00 0.00 C ATOM 1814 CG ASN B 650 -1.264 -15.095 11.110 1.00 0.00 C ATOM 1815 OD1 ASN B 650 -0.380 -14.506 10.521 1.00 0.00 O ATOM 1816 ND2 ASN B 650 -1.922 -16.051 10.512 1.00 0.00 N ATOM 1817 OXT ASN B 650 -2.713 -12.014 14.345 1.00 0.00 O ATOM 0 H ASN B 650 -0.948 -12.399 11.833 1.00 0.00 H new ATOM 0 HA ASN B 650 -3.510 -13.834 12.035 1.00 0.00 H new ATOM 0 HB2 ASN B 650 -0.718 -14.469 13.106 1.00 0.00 H new ATOM 0 HB3 ASN B 650 -2.068 -15.586 13.056 1.00 0.00 H new ATOM 0 HD21 ASN B 650 -1.694 -16.303 9.550 1.00 0.00 H new ATOM 0 HD22 ASN B 650 -2.664 -16.546 11.006 1.00 0.00 H new