USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 304 SER OG : rot 180:sc= 0 USER MOD Single : A 305 LYS NZ :NH3+ 130:sc= -2.76! (180deg=-5.34!) USER MOD Single : A 306 MET CE :methyl -165:sc= -0.862 (180deg=-1.28) USER MOD Single : A 307 ASN : amide:sc= -3.69! C(o=-3.7!,f=-5.2!) 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 -0:sc= 0.256 USER MOD Single : B 620 CYS SG : rot 180:sc= 0 USER MOD Single : B 621 SER OG : rot 180:sc= 0 USER MOD Single : B 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 626 LYS NZ :NH3+ -160:sc= -0.105 (180deg=-0.751) USER MOD Single : B 628 LYS NZ :NH3+ -159:sc= -0.157 (180deg=-0.835) USER MOD Single : B 630 SER OG : rot -92:sc= 0.966 USER MOD Single : B 637 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 642 GLN : amide:sc= -0.267 K(o=-0.27,f=-2.2!) USER MOD Single : B 646 ASN : amide:sc= -0.0718 K(o=-0.072,f=-1) USER MOD Single : B 647 LYS NZ :NH3+ -101:sc= -1.82 (180deg=-2.95!) USER MOD Single : B 648 HIS : no HE2:sc= -1.45 K(o=-1.4,f=-3.6!) USER MOD Single : B 649 MET CE :methyl 174:sc= 0 (180deg=-0.0663) USER MOD Single : B 650 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 338 N GLU A 301 18.023 -2.220 -0.298 1.00 0.00 N ATOM 339 CA GLU A 301 17.988 -3.360 -1.260 1.00 0.00 C ATOM 340 C GLU A 301 16.518 -3.582 -1.602 1.00 0.00 C ATOM 341 O GLU A 301 16.154 -4.136 -2.623 1.00 0.00 O ATOM 342 CB GLU A 301 18.567 -4.616 -0.605 1.00 0.00 C ATOM 343 CG GLU A 301 20.034 -4.375 -0.247 1.00 0.00 C ATOM 344 CD GLU A 301 20.601 -5.613 0.450 1.00 0.00 C ATOM 345 OE1 GLU A 301 20.944 -6.555 -0.246 1.00 0.00 O ATOM 346 OE2 GLU A 301 20.681 -5.599 1.667 1.00 0.00 O ATOM 0 HA GLU A 301 18.578 -3.148 -2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 301 17.999 -4.866 0.291 1.00 0.00 H new ATOM 0 HB3 GLU A 301 18.482 -5.465 -1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 301 20.608 -4.157 -1.148 1.00 0.00 H new ATOM 0 HG3 GLU A 301 20.122 -3.506 0.405 1.00 0.00 H new ATOM 353 N PHE A 302 15.678 -3.084 -0.735 1.00 0.00 N ATOM 354 CA PHE A 302 14.218 -3.184 -0.946 1.00 0.00 C ATOM 355 C PHE A 302 13.774 -2.130 -1.958 1.00 0.00 C ATOM 356 O PHE A 302 13.328 -2.450 -3.043 1.00 0.00 O ATOM 357 CB PHE A 302 13.501 -2.970 0.391 1.00 0.00 C ATOM 358 CG PHE A 302 12.081 -3.485 0.310 1.00 0.00 C ATOM 359 CD1 PHE A 302 11.119 -2.764 -0.404 1.00 0.00 C ATOM 360 CD2 PHE A 302 11.726 -4.676 0.956 1.00 0.00 C ATOM 361 CE1 PHE A 302 9.802 -3.233 -0.476 1.00 0.00 C ATOM 362 CE2 PHE A 302 10.408 -5.145 0.886 1.00 0.00 C ATOM 363 CZ PHE A 302 9.446 -4.423 0.169 1.00 0.00 C ATOM 0 H PHE A 302 15.953 -2.605 0.123 1.00 0.00 H new ATOM 0 HA PHE A 302 13.966 -4.171 -1.334 1.00 0.00 H new ATOM 0 HB2 PHE A 302 14.038 -3.486 1.187 1.00 0.00 H new ATOM 0 HB3 PHE A 302 13.497 -1.910 0.645 1.00 0.00 H new ATOM 0 HD1 PHE A 302 11.392 -1.845 -0.900 1.00 0.00 H new ATOM 0 HD2 PHE A 302 12.469 -5.233 1.508 1.00 0.00 H new ATOM 0 HE1 PHE A 302 9.060 -2.676 -1.030 1.00 0.00 H new ATOM 0 HE2 PHE A 302 10.134 -6.063 1.385 1.00 0.00 H new ATOM 0 HZ PHE A 302 8.430 -4.784 0.114 1.00 0.00 H new ATOM 373 N CYS A 303 13.894 -0.876 -1.624 1.00 0.00 N ATOM 374 CA CYS A 303 13.479 0.182 -2.583 1.00 0.00 C ATOM 375 C CYS A 303 14.275 0.020 -3.883 1.00 0.00 C ATOM 376 O CYS A 303 13.744 0.132 -4.970 1.00 0.00 O ATOM 377 CB CYS A 303 13.749 1.562 -1.975 1.00 0.00 C ATOM 378 SG CYS A 303 13.307 1.546 -0.219 1.00 0.00 S ATOM 0 H CYS A 303 14.260 -0.540 -0.733 1.00 0.00 H new ATOM 0 HA CYS A 303 12.414 0.091 -2.795 1.00 0.00 H new ATOM 0 HB2 CYS A 303 14.800 1.824 -2.094 1.00 0.00 H new ATOM 0 HB3 CYS A 303 13.170 2.322 -2.500 1.00 0.00 H new ATOM 383 N SER A 304 15.550 -0.229 -3.769 1.00 0.00 N ATOM 384 CA SER A 304 16.403 -0.387 -4.983 1.00 0.00 C ATOM 385 C SER A 304 15.816 -1.445 -5.927 1.00 0.00 C ATOM 386 O SER A 304 15.880 -1.305 -7.137 1.00 0.00 O ATOM 387 CB SER A 304 17.809 -0.814 -4.558 1.00 0.00 C ATOM 388 OG SER A 304 18.358 0.171 -3.693 1.00 0.00 O ATOM 0 H SER A 304 16.042 -0.331 -2.881 1.00 0.00 H new ATOM 0 HA SER A 304 16.442 0.567 -5.510 1.00 0.00 H new ATOM 0 HB2 SER A 304 17.771 -1.779 -4.052 1.00 0.00 H new ATOM 0 HB3 SER A 304 18.444 -0.939 -5.435 1.00 0.00 H new ATOM 0 HG SER A 304 19.258 -0.101 -3.418 1.00 0.00 H new ATOM 394 N LYS A 305 15.195 -2.478 -5.396 1.00 0.00 N ATOM 395 CA LYS A 305 14.574 -3.512 -6.295 1.00 0.00 C ATOM 396 C LYS A 305 13.076 -3.229 -6.393 1.00 0.00 C ATOM 397 O LYS A 305 12.399 -3.683 -7.306 1.00 0.00 O ATOM 398 CB LYS A 305 14.831 -4.928 -5.769 1.00 0.00 C ATOM 399 CG LYS A 305 14.559 -5.946 -6.882 1.00 0.00 C ATOM 400 CD LYS A 305 14.411 -7.346 -6.275 1.00 0.00 C ATOM 401 CE LYS A 305 15.709 -7.746 -5.566 1.00 0.00 C ATOM 402 NZ LYS A 305 15.768 -7.088 -4.229 1.00 0.00 N ATOM 0 H LYS A 305 15.092 -2.649 -4.396 1.00 0.00 H new ATOM 0 HA LYS A 305 15.026 -3.454 -7.285 1.00 0.00 H new ATOM 0 HB2 LYS A 305 15.861 -5.017 -5.424 1.00 0.00 H new ATOM 0 HB3 LYS A 305 14.189 -5.131 -4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 305 13.652 -5.675 -7.422 1.00 0.00 H new ATOM 0 HG3 LYS A 305 15.375 -5.936 -7.605 1.00 0.00 H new ATOM 0 HD2 LYS A 305 13.581 -7.360 -5.568 1.00 0.00 H new ATOM 0 HD3 LYS A 305 14.176 -8.068 -7.057 1.00 0.00 H new ATOM 0 HE2 LYS A 305 15.755 -8.829 -5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 305 16.570 -7.451 -6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 305 15.990 -7.798 -3.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 305 16.506 -6.356 -4.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 305 14.849 -6.651 -4.016 1.00 0.00 H new ATOM 416 N MET A 306 12.549 -2.423 -5.520 1.00 0.00 N ATOM 417 CA MET A 306 11.115 -2.082 -5.645 1.00 0.00 C ATOM 418 C MET A 306 10.997 -1.099 -6.801 1.00 0.00 C ATOM 419 O MET A 306 9.950 -0.950 -7.396 1.00 0.00 O ATOM 420 CB MET A 306 10.593 -1.451 -4.345 1.00 0.00 C ATOM 421 CG MET A 306 9.081 -1.661 -4.234 1.00 0.00 C ATOM 422 SD MET A 306 8.406 -0.511 -3.010 1.00 0.00 S ATOM 423 CE MET A 306 6.850 -1.384 -2.716 1.00 0.00 C ATOM 0 H MET A 306 13.042 -1.993 -4.738 1.00 0.00 H new ATOM 0 HA MET A 306 10.518 -2.975 -5.830 1.00 0.00 H new ATOM 0 HB2 MET A 306 11.095 -1.898 -3.487 1.00 0.00 H new ATOM 0 HB3 MET A 306 10.823 -0.386 -4.330 1.00 0.00 H new ATOM 0 HG2 MET A 306 8.608 -1.499 -5.202 1.00 0.00 H new ATOM 0 HG3 MET A 306 8.865 -2.689 -3.942 1.00 0.00 H new ATOM 0 HE1 MET A 306 6.156 -0.725 -2.196 1.00 0.00 H new ATOM 0 HE2 MET A 306 6.417 -1.687 -3.669 1.00 0.00 H new ATOM 0 HE3 MET A 306 7.038 -2.267 -2.106 1.00 0.00 H new ATOM 433 N ASN A 307 12.081 -0.439 -7.154 1.00 0.00 N ATOM 434 CA ASN A 307 12.016 0.501 -8.308 1.00 0.00 C ATOM 435 C ASN A 307 12.195 -0.358 -9.551 1.00 0.00 C ATOM 436 O ASN A 307 11.515 -0.195 -10.539 1.00 0.00 O ATOM 437 CB ASN A 307 13.131 1.546 -8.212 1.00 0.00 C ATOM 438 CG ASN A 307 12.971 2.351 -6.922 1.00 0.00 C ATOM 439 OD1 ASN A 307 12.055 2.121 -6.157 1.00 0.00 O ATOM 440 ND2 ASN A 307 13.829 3.295 -6.645 1.00 0.00 N ATOM 0 H ASN A 307 12.990 -0.513 -6.697 1.00 0.00 H new ATOM 0 HA ASN A 307 11.072 1.045 -8.330 1.00 0.00 H new ATOM 0 HB2 ASN A 307 14.105 1.056 -8.228 1.00 0.00 H new ATOM 0 HB3 ASN A 307 13.095 2.211 -9.075 1.00 0.00 H new ATOM 0 HD21 ASN A 307 13.730 3.838 -5.787 1.00 0.00 H new ATOM 0 HD22 ASN A 307 14.598 3.489 -7.286 1.00 0.00 H new ATOM 447 N GLN A 308 13.118 -1.304 -9.467 1.00 0.00 N ATOM 448 CA GLN A 308 13.375 -2.247 -10.613 1.00 0.00 C ATOM 449 C GLN A 308 12.046 -2.567 -11.296 1.00 0.00 C ATOM 450 O GLN A 308 11.956 -2.645 -12.506 1.00 0.00 O ATOM 451 CB GLN A 308 13.977 -3.550 -10.085 1.00 0.00 C ATOM 452 CG GLN A 308 14.228 -4.505 -11.254 1.00 0.00 C ATOM 453 CD GLN A 308 15.033 -5.711 -10.763 1.00 0.00 C ATOM 454 OE1 GLN A 308 14.499 -6.588 -10.114 1.00 0.00 O ATOM 455 NE2 GLN A 308 16.303 -5.793 -11.049 1.00 0.00 N ATOM 0 H GLN A 308 13.705 -1.461 -8.648 1.00 0.00 H new ATOM 0 HA GLN A 308 14.065 -1.782 -11.317 1.00 0.00 H new ATOM 0 HB2 GLN A 308 14.911 -3.346 -9.561 1.00 0.00 H new ATOM 0 HB3 GLN A 308 13.301 -4.010 -9.364 1.00 0.00 H new ATOM 0 HG2 GLN A 308 13.280 -4.835 -11.678 1.00 0.00 H new ATOM 0 HG3 GLN A 308 14.770 -3.991 -12.048 1.00 0.00 H new ATOM 0 HE21 GLN A 308 16.752 -5.057 -11.594 1.00 0.00 H new ATOM 0 HE22 GLN A 308 16.847 -6.593 -10.728 1.00 0.00 H new ATOM 464 N VAL A 309 11.006 -2.725 -10.514 1.00 0.00 N ATOM 465 CA VAL A 309 9.654 -3.007 -11.101 1.00 0.00 C ATOM 466 C VAL A 309 9.417 -2.066 -12.293 1.00 0.00 C ATOM 467 O VAL A 309 8.568 -2.303 -13.130 1.00 0.00 O ATOM 468 CB VAL A 309 8.572 -2.773 -10.033 1.00 0.00 C ATOM 469 CG1 VAL A 309 8.961 -3.510 -8.754 1.00 0.00 C ATOM 470 CG2 VAL A 309 8.447 -1.272 -9.738 1.00 0.00 C ATOM 0 H VAL A 309 11.032 -2.671 -9.496 1.00 0.00 H new ATOM 0 HA VAL A 309 9.607 -4.043 -11.438 1.00 0.00 H new ATOM 0 HB VAL A 309 7.616 -3.147 -10.399 1.00 0.00 H new ATOM 0 HG11 VAL A 309 8.197 -3.347 -7.994 1.00 0.00 H new ATOM 0 HG12 VAL A 309 9.046 -4.577 -8.960 1.00 0.00 H new ATOM 0 HG13 VAL A 309 9.918 -3.133 -8.393 1.00 0.00 H new ATOM 0 HG21 VAL A 309 7.679 -1.113 -8.981 1.00 0.00 H new ATOM 0 HG22 VAL A 309 9.401 -0.892 -9.373 1.00 0.00 H new ATOM 0 HG23 VAL A 309 8.172 -0.744 -10.651 1.00 0.00 H new ATOM 480 N CYS A 310 10.181 -1.010 -12.376 1.00 0.00 N ATOM 481 CA CYS A 310 10.037 -0.051 -13.506 1.00 0.00 C ATOM 482 C CYS A 310 10.878 -0.546 -14.691 1.00 0.00 C ATOM 483 O CYS A 310 11.368 0.232 -15.485 1.00 0.00 O ATOM 484 CB CYS A 310 10.523 1.338 -13.057 1.00 0.00 C ATOM 485 SG CYS A 310 9.158 2.218 -12.260 1.00 0.00 S ATOM 0 H CYS A 310 10.907 -0.770 -11.701 1.00 0.00 H new ATOM 0 HA CYS A 310 8.992 0.018 -13.809 1.00 0.00 H new ATOM 0 HB2 CYS A 310 11.360 1.238 -12.365 1.00 0.00 H new ATOM 0 HB3 CYS A 310 10.885 1.905 -13.915 1.00 0.00 H new ATOM 490 N GLY A 311 11.043 -1.837 -14.815 1.00 0.00 N ATOM 491 CA GLY A 311 11.846 -2.386 -15.949 1.00 0.00 C ATOM 492 C GLY A 311 10.938 -2.584 -17.166 1.00 0.00 C ATOM 493 O GLY A 311 10.013 -3.371 -17.140 1.00 0.00 O ATOM 0 H GLY A 311 10.657 -2.536 -14.180 1.00 0.00 H new ATOM 0 HA2 GLY A 311 12.660 -1.705 -16.196 1.00 0.00 H new ATOM 0 HA3 GLY A 311 12.300 -3.334 -15.662 1.00 0.00 H new ATOM 928 N GLY B 593 -6.998 7.310 -1.605 1.00 0.00 N ATOM 929 CA GLY B 593 -5.876 7.119 -0.637 1.00 0.00 C ATOM 930 C GLY B 593 -4.743 8.072 -1.007 1.00 0.00 C ATOM 931 O GLY B 593 -4.966 9.103 -1.612 1.00 0.00 O ATOM 0 HA2 GLY B 593 -6.217 7.314 0.380 1.00 0.00 H new ATOM 0 HA3 GLY B 593 -5.526 6.087 -0.663 1.00 0.00 H new ATOM 935 N SER B 594 -3.526 7.733 -0.659 1.00 0.00 N ATOM 936 CA SER B 594 -2.360 8.615 -0.999 1.00 0.00 C ATOM 937 C SER B 594 -1.329 7.824 -1.792 1.00 0.00 C ATOM 938 O SER B 594 -1.316 6.610 -1.795 1.00 0.00 O ATOM 939 CB SER B 594 -1.691 9.132 0.271 1.00 0.00 C ATOM 940 OG SER B 594 -2.563 10.039 0.930 1.00 0.00 O ATOM 0 H SER B 594 -3.287 6.881 -0.152 1.00 0.00 H new ATOM 0 HA SER B 594 -2.730 9.455 -1.587 1.00 0.00 H new ATOM 0 HB2 SER B 594 -1.448 8.300 0.931 1.00 0.00 H new ATOM 0 HB3 SER B 594 -0.752 9.628 0.024 1.00 0.00 H new ATOM 0 HG SER B 594 -2.134 10.370 1.747 1.00 0.00 H new ATOM 946 N LEU B 595 -0.455 8.528 -2.445 1.00 0.00 N ATOM 947 CA LEU B 595 0.616 7.881 -3.243 1.00 0.00 C ATOM 948 C LEU B 595 1.763 7.503 -2.314 1.00 0.00 C ATOM 949 O LEU B 595 2.354 8.360 -1.686 1.00 0.00 O ATOM 950 CB LEU B 595 1.119 8.896 -4.263 1.00 0.00 C ATOM 951 CG LEU B 595 -0.058 9.484 -5.051 1.00 0.00 C ATOM 952 CD1 LEU B 595 0.484 10.318 -6.214 1.00 0.00 C ATOM 953 CD2 LEU B 595 -0.944 8.355 -5.595 1.00 0.00 C ATOM 0 H LEU B 595 -0.437 9.548 -2.460 1.00 0.00 H new ATOM 0 HA LEU B 595 0.239 6.989 -3.743 1.00 0.00 H new ATOM 0 HB2 LEU B 595 1.661 9.694 -3.756 1.00 0.00 H new ATOM 0 HB3 LEU B 595 1.821 8.418 -4.946 1.00 0.00 H new ATOM 0 HG LEU B 595 -0.655 10.114 -4.392 1.00 0.00 H new ATOM 0 HD11 LEU B 595 -0.348 10.739 -6.779 1.00 0.00 H new ATOM 0 HD12 LEU B 595 1.104 11.126 -5.825 1.00 0.00 H new ATOM 0 HD13 LEU B 595 1.083 9.684 -6.868 1.00 0.00 H new ATOM 0 HD21 LEU B 595 -1.777 8.783 -6.153 1.00 0.00 H new ATOM 0 HD22 LEU B 595 -0.356 7.716 -6.254 1.00 0.00 H new ATOM 0 HD23 LEU B 595 -1.329 7.763 -4.765 1.00 0.00 H new ATOM 965 N LEU B 596 2.081 6.229 -2.203 1.00 0.00 N ATOM 966 CA LEU B 596 3.196 5.804 -1.288 1.00 0.00 C ATOM 967 C LEU B 596 4.185 4.938 -2.082 1.00 0.00 C ATOM 968 O LEU B 596 3.816 4.258 -3.018 1.00 0.00 O ATOM 969 CB LEU B 596 2.618 5.020 -0.098 1.00 0.00 C ATOM 970 CG LEU B 596 1.427 5.785 0.553 1.00 0.00 C ATOM 971 CD1 LEU B 596 0.374 4.786 1.055 1.00 0.00 C ATOM 972 CD2 LEU B 596 1.933 6.625 1.735 1.00 0.00 C ATOM 0 H LEU B 596 1.619 5.470 -2.704 1.00 0.00 H new ATOM 0 HA LEU B 596 3.719 6.678 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU B 596 2.284 4.038 -0.433 1.00 0.00 H new ATOM 0 HB3 LEU B 596 3.398 4.854 0.645 1.00 0.00 H new ATOM 0 HG LEU B 596 0.978 6.439 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU B 596 -0.455 5.329 1.509 1.00 0.00 H new ATOM 0 HD12 LEU B 596 0.005 4.194 0.217 1.00 0.00 H new ATOM 0 HD13 LEU B 596 0.824 4.125 1.796 1.00 0.00 H new ATOM 0 HD21 LEU B 596 1.097 7.158 2.187 1.00 0.00 H new ATOM 0 HD22 LEU B 596 2.390 5.971 2.477 1.00 0.00 H new ATOM 0 HD23 LEU B 596 2.672 7.343 1.381 1.00 0.00 H new ATOM 984 N ARG B 597 5.454 5.006 -1.733 1.00 0.00 N ATOM 985 CA ARG B 597 6.509 4.243 -2.485 1.00 0.00 C ATOM 986 C ARG B 597 7.100 3.099 -1.637 1.00 0.00 C ATOM 987 O ARG B 597 6.390 2.244 -1.148 1.00 0.00 O ATOM 988 CB ARG B 597 7.624 5.228 -2.871 1.00 0.00 C ATOM 989 CG ARG B 597 8.449 4.668 -4.034 1.00 0.00 C ATOM 990 CD ARG B 597 9.520 5.687 -4.431 1.00 0.00 C ATOM 991 NE ARG B 597 10.439 5.082 -5.436 1.00 0.00 N ATOM 992 CZ ARG B 597 11.237 5.846 -6.131 1.00 0.00 C ATOM 993 NH1 ARG B 597 11.230 7.137 -5.946 1.00 0.00 N ATOM 994 NH2 ARG B 597 12.043 5.317 -7.011 1.00 0.00 N ATOM 0 H ARG B 597 5.805 5.562 -0.953 1.00 0.00 H new ATOM 0 HA ARG B 597 6.058 3.793 -3.370 1.00 0.00 H new ATOM 0 HB2 ARG B 597 7.190 6.187 -3.153 1.00 0.00 H new ATOM 0 HB3 ARG B 597 8.270 5.411 -2.013 1.00 0.00 H new ATOM 0 HG2 ARG B 597 8.916 3.727 -3.744 1.00 0.00 H new ATOM 0 HG3 ARG B 597 7.802 4.454 -4.884 1.00 0.00 H new ATOM 0 HD2 ARG B 597 9.051 6.580 -4.844 1.00 0.00 H new ATOM 0 HD3 ARG B 597 10.082 6.000 -3.551 1.00 0.00 H new ATOM 0 HE ARG B 597 10.444 4.072 -5.581 1.00 0.00 H new ATOM 0 HH11 ARG B 597 10.601 7.550 -5.258 1.00 0.00 H new ATOM 0 HH12 ARG B 597 11.854 7.733 -6.489 1.00 0.00 H new ATOM 0 HH21 ARG B 597 12.049 4.307 -7.155 1.00 0.00 H new ATOM 0 HH22 ARG B 597 12.667 5.913 -7.555 1.00 0.00 H new ATOM 1008 N CYS B 598 8.407 3.066 -1.497 1.00 0.00 N ATOM 1009 CA CYS B 598 9.075 1.970 -0.725 1.00 0.00 C ATOM 1010 C CYS B 598 9.174 2.322 0.765 1.00 0.00 C ATOM 1011 O CYS B 598 8.239 2.127 1.517 1.00 0.00 O ATOM 1012 CB CYS B 598 10.483 1.759 -1.294 1.00 0.00 C ATOM 1013 SG CYS B 598 11.460 0.726 -0.170 1.00 0.00 S ATOM 0 H CYS B 598 9.044 3.760 -1.889 1.00 0.00 H new ATOM 0 HA CYS B 598 8.482 1.060 -0.819 1.00 0.00 H new ATOM 0 HB2 CYS B 598 10.421 1.286 -2.274 1.00 0.00 H new ATOM 0 HB3 CYS B 598 10.975 2.722 -1.436 1.00 0.00 H new ATOM 1018 N SER B 599 10.310 2.819 1.200 1.00 0.00 N ATOM 1019 CA SER B 599 10.483 3.163 2.647 1.00 0.00 C ATOM 1020 C SER B 599 9.236 3.889 3.147 1.00 0.00 C ATOM 1021 O SER B 599 8.889 3.857 4.321 1.00 0.00 O ATOM 1022 CB SER B 599 11.702 4.072 2.811 1.00 0.00 C ATOM 1023 OG SER B 599 11.704 4.625 4.122 1.00 0.00 O ATOM 0 H SER B 599 11.125 3.001 0.614 1.00 0.00 H new ATOM 0 HA SER B 599 10.630 2.250 3.225 1.00 0.00 H new ATOM 0 HB2 SER B 599 12.618 3.506 2.642 1.00 0.00 H new ATOM 0 HB3 SER B 599 11.678 4.869 2.068 1.00 0.00 H new ATOM 0 HG SER B 599 12.485 5.207 4.230 1.00 0.00 H new ATOM 1029 N GLU B 600 8.547 4.527 2.248 1.00 0.00 N ATOM 1030 CA GLU B 600 7.307 5.244 2.620 1.00 0.00 C ATOM 1031 C GLU B 600 6.449 4.335 3.502 1.00 0.00 C ATOM 1032 O GLU B 600 5.825 4.758 4.464 1.00 0.00 O ATOM 1033 CB GLU B 600 6.535 5.559 1.336 1.00 0.00 C ATOM 1034 CG GLU B 600 7.230 6.709 0.595 1.00 0.00 C ATOM 1035 CD GLU B 600 6.974 8.021 1.339 1.00 0.00 C ATOM 1036 OE1 GLU B 600 5.912 8.591 1.147 1.00 0.00 O ATOM 1037 OE2 GLU B 600 7.844 8.434 2.087 1.00 0.00 O ATOM 0 H GLU B 600 8.795 4.581 1.260 1.00 0.00 H new ATOM 0 HA GLU B 600 7.546 6.161 3.159 1.00 0.00 H new ATOM 0 HB2 GLU B 600 6.490 4.676 0.699 1.00 0.00 H new ATOM 0 HB3 GLU B 600 5.507 5.833 1.574 1.00 0.00 H new ATOM 0 HG2 GLU B 600 8.301 6.519 0.529 1.00 0.00 H new ATOM 0 HG3 GLU B 600 6.855 6.778 -0.426 1.00 0.00 H new ATOM 1044 N ILE B 601 6.398 3.070 3.158 1.00 0.00 N ATOM 1045 CA ILE B 601 5.563 2.130 3.943 1.00 0.00 C ATOM 1046 C ILE B 601 6.234 1.905 5.299 1.00 0.00 C ATOM 1047 O ILE B 601 5.580 1.711 6.302 1.00 0.00 O ATOM 1048 CB ILE B 601 5.406 0.801 3.147 1.00 0.00 C ATOM 1049 CG1 ILE B 601 4.088 0.819 2.361 1.00 0.00 C ATOM 1050 CG2 ILE B 601 5.392 -0.420 4.074 1.00 0.00 C ATOM 1051 CD1 ILE B 601 4.178 1.848 1.236 1.00 0.00 C ATOM 0 H ILE B 601 6.898 2.657 2.371 1.00 0.00 H new ATOM 0 HA ILE B 601 4.566 2.536 4.114 1.00 0.00 H new ATOM 0 HB ILE B 601 6.260 0.724 2.475 1.00 0.00 H new ATOM 0 HG12 ILE B 601 3.885 -0.169 1.948 1.00 0.00 H new ATOM 0 HG13 ILE B 601 3.259 1.063 3.026 1.00 0.00 H new ATOM 0 HG21 ILE B 601 5.281 -1.327 3.480 1.00 0.00 H new ATOM 0 HG22 ILE B 601 6.327 -0.464 4.632 1.00 0.00 H new ATOM 0 HG23 ILE B 601 4.558 -0.338 4.771 1.00 0.00 H new ATOM 0 HD11 ILE B 601 3.242 1.860 0.678 1.00 0.00 H new ATOM 0 HD12 ILE B 601 4.361 2.835 1.660 1.00 0.00 H new ATOM 0 HD13 ILE B 601 4.996 1.584 0.566 1.00 0.00 H new ATOM 1063 N TRP B 602 7.552 1.932 5.327 1.00 0.00 N ATOM 1064 CA TRP B 602 8.279 1.727 6.616 1.00 0.00 C ATOM 1065 C TRP B 602 7.588 2.571 7.672 1.00 0.00 C ATOM 1066 O TRP B 602 7.414 2.160 8.802 1.00 0.00 O ATOM 1067 CB TRP B 602 9.738 2.168 6.478 1.00 0.00 C ATOM 1068 CG TRP B 602 10.512 1.713 7.673 1.00 0.00 C ATOM 1069 CD1 TRP B 602 10.898 2.508 8.697 1.00 0.00 C ATOM 1070 CD2 TRP B 602 11.001 0.376 7.985 1.00 0.00 C ATOM 1071 NE1 TRP B 602 11.591 1.743 9.619 1.00 0.00 N ATOM 1072 CE2 TRP B 602 11.681 0.423 9.224 1.00 0.00 C ATOM 1073 CE3 TRP B 602 10.920 -0.861 7.320 1.00 0.00 C ATOM 1074 CZ2 TRP B 602 12.262 -0.716 9.784 1.00 0.00 C ATOM 1075 CZ3 TRP B 602 11.503 -2.010 7.879 1.00 0.00 C ATOM 1076 CH2 TRP B 602 12.172 -1.937 9.110 1.00 0.00 C ATOM 0 H TRP B 602 8.148 2.087 4.514 1.00 0.00 H new ATOM 0 HA TRP B 602 8.267 0.673 6.893 1.00 0.00 H new ATOM 0 HB2 TRP B 602 10.171 1.749 5.570 1.00 0.00 H new ATOM 0 HB3 TRP B 602 9.794 3.253 6.387 1.00 0.00 H new ATOM 0 HD1 TRP B 602 10.698 3.566 8.781 1.00 0.00 H new ATOM 0 HE1 TRP B 602 11.987 2.110 10.485 1.00 0.00 H new ATOM 0 HE3 TRP B 602 10.406 -0.928 6.373 1.00 0.00 H new ATOM 0 HZ2 TRP B 602 12.777 -0.654 10.731 1.00 0.00 H new ATOM 0 HZ3 TRP B 602 11.436 -2.954 7.359 1.00 0.00 H new ATOM 0 HH2 TRP B 602 12.617 -2.824 9.537 1.00 0.00 H new ATOM 1087 N ASP B 603 7.148 3.736 7.291 1.00 0.00 N ATOM 1088 CA ASP B 603 6.415 4.589 8.256 1.00 0.00 C ATOM 1089 C ASP B 603 5.062 3.926 8.533 1.00 0.00 C ATOM 1090 O ASP B 603 4.620 3.841 9.661 1.00 0.00 O ATOM 1091 CB ASP B 603 6.197 5.978 7.653 1.00 0.00 C ATOM 1092 CG ASP B 603 7.550 6.601 7.305 1.00 0.00 C ATOM 1093 OD1 ASP B 603 8.294 6.906 8.223 1.00 0.00 O ATOM 1094 OD2 ASP B 603 7.821 6.761 6.127 1.00 0.00 O ATOM 0 H ASP B 603 7.265 4.130 6.358 1.00 0.00 H new ATOM 0 HA ASP B 603 6.983 4.696 9.180 1.00 0.00 H new ATOM 0 HB2 ASP B 603 5.578 5.905 6.759 1.00 0.00 H new ATOM 0 HB3 ASP B 603 5.663 6.613 8.360 1.00 0.00 H new ATOM 1099 N ARG B 604 4.408 3.436 7.505 1.00 0.00 N ATOM 1100 CA ARG B 604 3.090 2.758 7.716 1.00 0.00 C ATOM 1101 C ARG B 604 3.266 1.597 8.710 1.00 0.00 C ATOM 1102 O ARG B 604 2.365 1.255 9.450 1.00 0.00 O ATOM 1103 CB ARG B 604 2.554 2.212 6.382 1.00 0.00 C ATOM 1104 CG ARG B 604 2.283 3.370 5.400 1.00 0.00 C ATOM 1105 CD ARG B 604 0.877 3.953 5.628 1.00 0.00 C ATOM 1106 NE ARG B 604 0.795 5.338 5.053 1.00 0.00 N ATOM 1107 CZ ARG B 604 1.572 6.304 5.466 1.00 0.00 C ATOM 1108 NH1 ARG B 604 2.347 6.134 6.501 1.00 0.00 N ATOM 1109 NH2 ARG B 604 1.536 7.463 4.867 1.00 0.00 N ATOM 0 H ARG B 604 4.727 3.476 6.537 1.00 0.00 H new ATOM 0 HA ARG B 604 2.379 3.481 8.115 1.00 0.00 H new ATOM 0 HB2 ARG B 604 3.276 1.520 5.948 1.00 0.00 H new ATOM 0 HB3 ARG B 604 1.636 1.650 6.554 1.00 0.00 H new ATOM 0 HG2 ARG B 604 3.032 4.150 5.533 1.00 0.00 H new ATOM 0 HG3 ARG B 604 2.373 3.013 4.374 1.00 0.00 H new ATOM 0 HD2 ARG B 604 0.129 3.312 5.162 1.00 0.00 H new ATOM 0 HD3 ARG B 604 0.654 3.980 6.695 1.00 0.00 H new ATOM 0 HE ARG B 604 0.113 5.530 4.319 1.00 0.00 H new ATOM 0 HH11 ARG B 604 2.350 5.242 6.995 1.00 0.00 H new ATOM 0 HH12 ARG B 604 2.950 6.893 6.817 1.00 0.00 H new ATOM 0 HH21 ARG B 604 0.903 7.611 4.081 1.00 0.00 H new ATOM 0 HH22 ARG B 604 2.140 8.221 5.185 1.00 0.00 H new ATOM 1123 N ILE B 605 4.425 0.994 8.724 1.00 0.00 N ATOM 1124 CA ILE B 605 4.700 -0.149 9.654 1.00 0.00 C ATOM 1125 C ILE B 605 5.110 0.361 11.042 1.00 0.00 C ATOM 1126 O ILE B 605 4.626 -0.118 12.049 1.00 0.00 O ATOM 1127 CB ILE B 605 5.844 -0.989 9.070 1.00 0.00 C ATOM 1128 CG1 ILE B 605 5.355 -1.690 7.801 1.00 0.00 C ATOM 1129 CG2 ILE B 605 6.293 -2.047 10.086 1.00 0.00 C ATOM 1130 CD1 ILE B 605 6.552 -2.237 7.020 1.00 0.00 C ATOM 0 H ILE B 605 5.208 1.247 8.121 1.00 0.00 H new ATOM 0 HA ILE B 605 3.795 -0.747 9.759 1.00 0.00 H new ATOM 0 HB ILE B 605 6.685 -0.335 8.838 1.00 0.00 H new ATOM 0 HG12 ILE B 605 4.676 -2.502 8.061 1.00 0.00 H new ATOM 0 HG13 ILE B 605 4.793 -0.991 7.181 1.00 0.00 H new ATOM 0 HG21 ILE B 605 7.105 -2.637 9.662 1.00 0.00 H new ATOM 0 HG22 ILE B 605 6.639 -1.555 10.995 1.00 0.00 H new ATOM 0 HG23 ILE B 605 5.455 -2.702 10.324 1.00 0.00 H new ATOM 0 HD11 ILE B 605 6.200 -2.736 6.117 1.00 0.00 H new ATOM 0 HD12 ILE B 605 7.214 -1.415 6.746 1.00 0.00 H new ATOM 0 HD13 ILE B 605 7.096 -2.950 7.640 1.00 0.00 H new ATOM 1142 N THR B 606 6.004 1.305 11.114 1.00 0.00 N ATOM 1143 CA THR B 606 6.442 1.809 12.449 1.00 0.00 C ATOM 1144 C THR B 606 5.225 2.149 13.313 1.00 0.00 C ATOM 1145 O THR B 606 5.214 1.906 14.504 1.00 0.00 O ATOM 1146 CB THR B 606 7.301 3.061 12.267 1.00 0.00 C ATOM 1147 OG1 THR B 606 6.640 3.962 11.391 1.00 0.00 O ATOM 1148 CG2 THR B 606 8.658 2.672 11.679 1.00 0.00 C ATOM 0 H THR B 606 6.450 1.750 10.312 1.00 0.00 H new ATOM 0 HA THR B 606 7.024 1.032 12.945 1.00 0.00 H new ATOM 0 HB THR B 606 7.454 3.541 13.233 1.00 0.00 H new ATOM 0 HG1 THR B 606 5.789 3.571 11.101 1.00 0.00 H new ATOM 0 HG21 THR B 606 9.268 3.566 11.550 1.00 0.00 H new ATOM 0 HG22 THR B 606 9.163 1.982 12.355 1.00 0.00 H new ATOM 0 HG23 THR B 606 8.511 2.191 10.712 1.00 0.00 H new ATOM 1267 N ILE B 614 4.044 -9.903 11.553 1.00 0.00 N ATOM 1268 CA ILE B 614 3.528 -9.864 10.151 1.00 0.00 C ATOM 1269 C ILE B 614 4.522 -10.634 9.265 1.00 0.00 C ATOM 1270 O ILE B 614 5.573 -11.042 9.721 1.00 0.00 O ATOM 1271 CB ILE B 614 3.399 -8.376 9.717 1.00 0.00 C ATOM 1272 CG1 ILE B 614 2.004 -7.849 10.096 1.00 0.00 C ATOM 1273 CG2 ILE B 614 3.595 -8.194 8.202 1.00 0.00 C ATOM 1274 CD1 ILE B 614 2.023 -6.318 10.127 1.00 0.00 C ATOM 0 HA ILE B 614 2.546 -10.329 10.061 1.00 0.00 H new ATOM 0 HB ILE B 614 4.181 -7.819 10.233 1.00 0.00 H new ATOM 0 HG12 ILE B 614 1.264 -8.199 9.376 1.00 0.00 H new ATOM 0 HG13 ILE B 614 1.710 -8.239 11.070 1.00 0.00 H new ATOM 0 HG21 ILE B 614 3.496 -7.139 7.946 1.00 0.00 H new ATOM 0 HG22 ILE B 614 4.588 -8.544 7.919 1.00 0.00 H new ATOM 0 HG23 ILE B 614 2.840 -8.770 7.666 1.00 0.00 H new ATOM 0 HD11 ILE B 614 1.034 -5.947 10.396 1.00 0.00 H new ATOM 0 HD12 ILE B 614 2.750 -5.978 10.864 1.00 0.00 H new ATOM 0 HD13 ILE B 614 2.298 -5.938 9.143 1.00 0.00 H new ATOM 1286 N ASP B 615 4.215 -10.815 8.003 1.00 0.00 N ATOM 1287 CA ASP B 615 5.145 -11.528 7.082 1.00 0.00 C ATOM 1288 C ASP B 615 5.756 -10.490 6.149 1.00 0.00 C ATOM 1289 O ASP B 615 5.095 -9.953 5.283 1.00 0.00 O ATOM 1290 CB ASP B 615 4.364 -12.558 6.261 1.00 0.00 C ATOM 1291 CG ASP B 615 3.867 -13.675 7.181 1.00 0.00 C ATOM 1292 OD1 ASP B 615 3.193 -13.363 8.147 1.00 0.00 O ATOM 1293 OD2 ASP B 615 4.171 -14.823 6.901 1.00 0.00 O ATOM 0 H ASP B 615 3.349 -10.494 7.570 1.00 0.00 H new ATOM 0 HA ASP B 615 5.922 -12.045 7.645 1.00 0.00 H new ATOM 0 HB2 ASP B 615 3.520 -12.079 5.765 1.00 0.00 H new ATOM 0 HB3 ASP B 615 5.000 -12.973 5.479 1.00 0.00 H new ATOM 1298 N VAL B 616 7.011 -10.201 6.315 1.00 0.00 N ATOM 1299 CA VAL B 616 7.654 -9.196 5.433 1.00 0.00 C ATOM 1300 C VAL B 616 7.884 -9.824 4.060 1.00 0.00 C ATOM 1301 O VAL B 616 8.040 -9.141 3.068 1.00 0.00 O ATOM 1302 CB VAL B 616 8.991 -8.759 6.039 1.00 0.00 C ATOM 1303 CG1 VAL B 616 8.732 -7.860 7.251 1.00 0.00 C ATOM 1304 CG2 VAL B 616 9.779 -9.994 6.481 1.00 0.00 C ATOM 0 H VAL B 616 7.619 -10.616 7.021 1.00 0.00 H new ATOM 0 HA VAL B 616 7.011 -8.321 5.334 1.00 0.00 H new ATOM 0 HB VAL B 616 9.565 -8.209 5.293 1.00 0.00 H new ATOM 0 HG11 VAL B 616 9.683 -7.549 7.683 1.00 0.00 H new ATOM 0 HG12 VAL B 616 8.170 -6.980 6.938 1.00 0.00 H new ATOM 0 HG13 VAL B 616 8.158 -8.411 7.996 1.00 0.00 H new ATOM 0 HG21 VAL B 616 10.731 -9.683 6.912 1.00 0.00 H new ATOM 0 HG22 VAL B 616 9.205 -10.544 7.227 1.00 0.00 H new ATOM 0 HG23 VAL B 616 9.963 -10.636 5.619 1.00 0.00 H new ATOM 1314 N ASP B 617 7.910 -11.126 4.000 1.00 0.00 N ATOM 1315 CA ASP B 617 8.146 -11.808 2.694 1.00 0.00 C ATOM 1316 C ASP B 617 6.867 -11.808 1.856 1.00 0.00 C ATOM 1317 O ASP B 617 6.891 -11.542 0.671 1.00 0.00 O ATOM 1318 CB ASP B 617 8.584 -13.250 2.949 1.00 0.00 C ATOM 1319 CG ASP B 617 9.870 -13.254 3.777 1.00 0.00 C ATOM 1320 OD1 ASP B 617 10.847 -12.684 3.319 1.00 0.00 O ATOM 1321 OD2 ASP B 617 9.857 -13.827 4.853 1.00 0.00 O ATOM 0 H ASP B 617 7.778 -11.748 4.797 1.00 0.00 H new ATOM 0 HA ASP B 617 8.925 -11.273 2.151 1.00 0.00 H new ATOM 0 HB2 ASP B 617 7.798 -13.792 3.475 1.00 0.00 H new ATOM 0 HB3 ASP B 617 8.747 -13.765 2.002 1.00 0.00 H new ATOM 1326 N GLY B 618 5.745 -12.095 2.454 1.00 0.00 N ATOM 1327 CA GLY B 618 4.478 -12.104 1.673 1.00 0.00 C ATOM 1328 C GLY B 618 4.121 -10.674 1.274 1.00 0.00 C ATOM 1329 O GLY B 618 3.942 -10.366 0.110 1.00 0.00 O ATOM 0 H GLY B 618 5.651 -12.322 3.444 1.00 0.00 H new ATOM 0 HA2 GLY B 618 4.590 -12.725 0.784 1.00 0.00 H new ATOM 0 HA3 GLY B 618 3.674 -12.539 2.267 1.00 0.00 H new ATOM 1333 N LEU B 619 4.021 -9.796 2.230 1.00 0.00 N ATOM 1334 CA LEU B 619 3.676 -8.390 1.900 1.00 0.00 C ATOM 1335 C LEU B 619 4.709 -7.836 0.908 1.00 0.00 C ATOM 1336 O LEU B 619 4.460 -6.865 0.222 1.00 0.00 O ATOM 1337 CB LEU B 619 3.619 -7.545 3.191 1.00 0.00 C ATOM 1338 CG LEU B 619 5.024 -7.041 3.599 1.00 0.00 C ATOM 1339 CD1 LEU B 619 5.449 -5.804 2.757 1.00 0.00 C ATOM 1340 CD2 LEU B 619 5.006 -6.679 5.094 1.00 0.00 C ATOM 0 H LEU B 619 4.163 -9.991 3.221 1.00 0.00 H new ATOM 0 HA LEU B 619 2.692 -8.346 1.433 1.00 0.00 H new ATOM 0 HB2 LEU B 619 2.955 -6.694 3.041 1.00 0.00 H new ATOM 0 HB3 LEU B 619 3.196 -8.141 3.999 1.00 0.00 H new ATOM 0 HG LEU B 619 5.750 -7.832 3.412 1.00 0.00 H new ATOM 0 HD11 LEU B 619 6.440 -5.475 3.069 1.00 0.00 H new ATOM 0 HD12 LEU B 619 5.471 -6.073 1.701 1.00 0.00 H new ATOM 0 HD13 LEU B 619 4.734 -4.996 2.911 1.00 0.00 H new ATOM 0 HD21 LEU B 619 5.991 -6.322 5.394 1.00 0.00 H new ATOM 0 HD22 LEU B 619 4.268 -5.897 5.270 1.00 0.00 H new ATOM 0 HD23 LEU B 619 4.746 -7.561 5.679 1.00 0.00 H new ATOM 1352 N CYS B 620 5.869 -8.443 0.818 1.00 0.00 N ATOM 1353 CA CYS B 620 6.896 -7.933 -0.137 1.00 0.00 C ATOM 1354 C CYS B 620 6.510 -8.317 -1.573 1.00 0.00 C ATOM 1355 O CYS B 620 6.609 -7.514 -2.477 1.00 0.00 O ATOM 1356 CB CYS B 620 8.265 -8.530 0.208 1.00 0.00 C ATOM 1357 SG CYS B 620 9.418 -8.257 -1.163 1.00 0.00 S ATOM 0 H CYS B 620 6.145 -9.262 1.360 1.00 0.00 H new ATOM 0 HA CYS B 620 6.947 -6.847 -0.060 1.00 0.00 H new ATOM 0 HB2 CYS B 620 8.653 -8.072 1.118 1.00 0.00 H new ATOM 0 HB3 CYS B 620 8.167 -9.597 0.406 1.00 0.00 H new ATOM 0 HG CYS B 620 10.577 -8.764 -0.863 1.00 0.00 H new ATOM 1363 N SER B 621 6.066 -9.529 -1.796 1.00 0.00 N ATOM 1364 CA SER B 621 5.676 -9.930 -3.187 1.00 0.00 C ATOM 1365 C SER B 621 4.282 -9.380 -3.495 1.00 0.00 C ATOM 1366 O SER B 621 3.764 -9.535 -4.583 1.00 0.00 O ATOM 1367 CB SER B 621 5.707 -11.451 -3.345 1.00 0.00 C ATOM 1368 OG SER B 621 6.938 -11.950 -2.838 1.00 0.00 O ATOM 0 H SER B 621 5.957 -10.252 -1.085 1.00 0.00 H new ATOM 0 HA SER B 621 6.392 -9.513 -3.895 1.00 0.00 H new ATOM 0 HB2 SER B 621 4.871 -11.901 -2.810 1.00 0.00 H new ATOM 0 HB3 SER B 621 5.596 -11.722 -4.395 1.00 0.00 H new ATOM 0 HG SER B 621 6.961 -12.925 -2.936 1.00 0.00 H new ATOM 1374 N GLU B 622 3.693 -8.701 -2.556 1.00 0.00 N ATOM 1375 CA GLU B 622 2.355 -8.086 -2.778 1.00 0.00 C ATOM 1376 C GLU B 622 2.529 -6.647 -3.278 1.00 0.00 C ATOM 1377 O GLU B 622 1.852 -6.215 -4.191 1.00 0.00 O ATOM 1378 CB GLU B 622 1.598 -8.049 -1.457 1.00 0.00 C ATOM 1379 CG GLU B 622 1.186 -9.469 -1.058 1.00 0.00 C ATOM 1380 CD GLU B 622 0.000 -9.916 -1.915 1.00 0.00 C ATOM 1381 OE1 GLU B 622 -1.030 -9.264 -1.855 1.00 0.00 O ATOM 1382 OE2 GLU B 622 0.141 -10.904 -2.617 1.00 0.00 O ATOM 0 H GLU B 622 4.087 -8.542 -1.628 1.00 0.00 H new ATOM 0 HA GLU B 622 1.806 -8.673 -3.514 1.00 0.00 H new ATOM 0 HB2 GLU B 622 2.224 -7.610 -0.680 1.00 0.00 H new ATOM 0 HB3 GLU B 622 0.715 -7.417 -1.550 1.00 0.00 H new ATOM 0 HG2 GLU B 622 2.024 -10.153 -1.192 1.00 0.00 H new ATOM 0 HG3 GLU B 622 0.917 -9.498 -0.002 1.00 0.00 H new ATOM 1389 N LEU B 623 3.419 -5.891 -2.684 1.00 0.00 N ATOM 1390 CA LEU B 623 3.614 -4.474 -3.128 1.00 0.00 C ATOM 1391 C LEU B 623 4.606 -4.419 -4.305 1.00 0.00 C ATOM 1392 O LEU B 623 4.613 -3.478 -5.074 1.00 0.00 O ATOM 1393 CB LEU B 623 4.168 -3.636 -1.954 1.00 0.00 C ATOM 1394 CG LEU B 623 3.032 -3.151 -1.033 1.00 0.00 C ATOM 1395 CD1 LEU B 623 2.519 -4.310 -0.175 1.00 0.00 C ATOM 1396 CD2 LEU B 623 3.564 -2.043 -0.114 1.00 0.00 C ATOM 0 H LEU B 623 4.017 -6.191 -1.914 1.00 0.00 H new ATOM 0 HA LEU B 623 2.654 -4.069 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU B 623 4.876 -4.233 -1.379 1.00 0.00 H new ATOM 0 HB3 LEU B 623 4.716 -2.778 -2.343 1.00 0.00 H new ATOM 0 HG LEU B 623 2.215 -2.769 -1.646 1.00 0.00 H new ATOM 0 HD11 LEU B 623 1.716 -3.956 0.472 1.00 0.00 H new ATOM 0 HD12 LEU B 623 2.141 -5.102 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU B 623 3.334 -4.698 0.436 1.00 0.00 H new ATOM 0 HD21 LEU B 623 2.763 -1.697 0.540 1.00 0.00 H new ATOM 0 HD22 LEU B 623 4.383 -2.434 0.491 1.00 0.00 H new ATOM 0 HD23 LEU B 623 3.924 -1.211 -0.719 1.00 0.00 H new ATOM 1408 N MET B 624 5.462 -5.400 -4.433 1.00 0.00 N ATOM 1409 CA MET B 624 6.477 -5.384 -5.535 1.00 0.00 C ATOM 1410 C MET B 624 5.809 -5.406 -6.917 1.00 0.00 C ATOM 1411 O MET B 624 6.312 -4.809 -7.848 1.00 0.00 O ATOM 1412 CB MET B 624 7.388 -6.608 -5.393 1.00 0.00 C ATOM 1413 CG MET B 624 8.611 -6.478 -6.304 1.00 0.00 C ATOM 1414 SD MET B 624 8.137 -6.857 -8.009 1.00 0.00 S ATOM 1415 CE MET B 624 9.778 -7.340 -8.599 1.00 0.00 C ATOM 0 H MET B 624 5.504 -6.215 -3.821 1.00 0.00 H new ATOM 0 HA MET B 624 7.056 -4.464 -5.454 1.00 0.00 H new ATOM 0 HB2 MET B 624 7.709 -6.711 -4.356 1.00 0.00 H new ATOM 0 HB3 MET B 624 6.834 -7.512 -5.646 1.00 0.00 H new ATOM 0 HG2 MET B 624 9.017 -5.468 -6.244 1.00 0.00 H new ATOM 0 HG3 MET B 624 9.397 -7.157 -5.974 1.00 0.00 H new ATOM 0 HE1 MET B 624 9.719 -7.619 -9.651 1.00 0.00 H new ATOM 0 HE2 MET B 624 10.467 -6.503 -8.484 1.00 0.00 H new ATOM 0 HE3 MET B 624 10.138 -8.189 -8.018 1.00 0.00 H new ATOM 1425 N ALA B 625 4.692 -6.073 -7.073 1.00 0.00 N ATOM 1426 CA ALA B 625 4.015 -6.108 -8.417 1.00 0.00 C ATOM 1427 C ALA B 625 2.785 -5.203 -8.395 1.00 0.00 C ATOM 1428 O ALA B 625 2.476 -4.567 -9.383 1.00 0.00 O ATOM 1429 CB ALA B 625 3.623 -7.540 -8.786 1.00 0.00 C ATOM 0 H ALA B 625 4.218 -6.594 -6.335 1.00 0.00 H new ATOM 0 HA ALA B 625 4.710 -5.744 -9.174 1.00 0.00 H new ATOM 0 HB1 ALA B 625 3.135 -7.544 -9.761 1.00 0.00 H new ATOM 0 HB2 ALA B 625 4.516 -8.163 -8.825 1.00 0.00 H new ATOM 0 HB3 ALA B 625 2.938 -7.934 -8.036 1.00 0.00 H new ATOM 1435 N LYS B 626 2.101 -5.079 -7.298 1.00 0.00 N ATOM 1436 CA LYS B 626 0.946 -4.142 -7.300 1.00 0.00 C ATOM 1437 C LYS B 626 1.516 -2.751 -7.589 1.00 0.00 C ATOM 1438 O LYS B 626 0.808 -1.807 -7.883 1.00 0.00 O ATOM 1439 CB LYS B 626 0.254 -4.155 -5.935 1.00 0.00 C ATOM 1440 CG LYS B 626 -0.558 -5.443 -5.789 1.00 0.00 C ATOM 1441 CD LYS B 626 -1.349 -5.403 -4.482 1.00 0.00 C ATOM 1442 CE LYS B 626 -2.097 -6.724 -4.297 1.00 0.00 C ATOM 1443 NZ LYS B 626 -2.900 -7.016 -5.519 1.00 0.00 N ATOM 0 H LYS B 626 2.282 -5.569 -6.422 1.00 0.00 H new ATOM 0 HA LYS B 626 0.206 -4.429 -8.048 1.00 0.00 H new ATOM 0 HB2 LYS B 626 0.995 -4.087 -5.139 1.00 0.00 H new ATOM 0 HB3 LYS B 626 -0.399 -3.288 -5.838 1.00 0.00 H new ATOM 0 HG2 LYS B 626 -1.237 -5.555 -6.634 1.00 0.00 H new ATOM 0 HG3 LYS B 626 0.106 -6.307 -5.798 1.00 0.00 H new ATOM 0 HD2 LYS B 626 -0.675 -5.234 -3.642 1.00 0.00 H new ATOM 0 HD3 LYS B 626 -2.055 -4.572 -4.497 1.00 0.00 H new ATOM 0 HE2 LYS B 626 -1.389 -7.532 -4.112 1.00 0.00 H new ATOM 0 HE3 LYS B 626 -2.749 -6.666 -3.426 1.00 0.00 H new ATOM 0 HZ1 LYS B 626 -3.650 -7.698 -5.287 1.00 0.00 H new ATOM 0 HZ2 LYS B 626 -3.329 -6.136 -5.871 1.00 0.00 H new ATOM 0 HZ3 LYS B 626 -2.282 -7.417 -6.253 1.00 0.00 H new ATOM 1457 N ALA B 627 2.816 -2.648 -7.493 1.00 0.00 N ATOM 1458 CA ALA B 627 3.529 -1.360 -7.737 1.00 0.00 C ATOM 1459 C ALA B 627 3.043 -0.682 -9.025 1.00 0.00 C ATOM 1460 O ALA B 627 2.876 -1.310 -10.052 1.00 0.00 O ATOM 1461 CB ALA B 627 5.032 -1.655 -7.856 1.00 0.00 C ATOM 0 H ALA B 627 3.429 -3.426 -7.249 1.00 0.00 H new ATOM 0 HA ALA B 627 3.326 -0.684 -6.906 1.00 0.00 H new ATOM 0 HB1 ALA B 627 5.572 -0.725 -8.035 1.00 0.00 H new ATOM 0 HB2 ALA B 627 5.388 -2.109 -6.931 1.00 0.00 H new ATOM 0 HB3 ALA B 627 5.204 -2.340 -8.686 1.00 0.00 H new ATOM 1467 N LYS B 628 2.855 0.615 -8.974 1.00 0.00 N ATOM 1468 CA LYS B 628 2.423 1.388 -10.180 1.00 0.00 C ATOM 1469 C LYS B 628 3.627 2.204 -10.656 1.00 0.00 C ATOM 1470 O LYS B 628 3.879 3.295 -10.184 1.00 0.00 O ATOM 1471 CB LYS B 628 1.279 2.330 -9.804 1.00 0.00 C ATOM 1472 CG LYS B 628 0.746 3.015 -11.064 1.00 0.00 C ATOM 1473 CD LYS B 628 -0.368 3.992 -10.682 1.00 0.00 C ATOM 1474 CE LYS B 628 -0.926 4.648 -11.946 1.00 0.00 C ATOM 1475 NZ LYS B 628 0.186 5.276 -12.712 1.00 0.00 N ATOM 0 H LYS B 628 2.985 1.179 -8.134 1.00 0.00 H new ATOM 0 HA LYS B 628 2.076 0.717 -10.966 1.00 0.00 H new ATOM 0 HB2 LYS B 628 0.480 1.772 -9.315 1.00 0.00 H new ATOM 0 HB3 LYS B 628 1.628 3.077 -9.091 1.00 0.00 H new ATOM 0 HG2 LYS B 628 1.552 3.546 -11.571 1.00 0.00 H new ATOM 0 HG3 LYS B 628 0.367 2.270 -11.763 1.00 0.00 H new ATOM 0 HD2 LYS B 628 -1.162 3.466 -10.152 1.00 0.00 H new ATOM 0 HD3 LYS B 628 0.018 4.753 -10.004 1.00 0.00 H new ATOM 0 HE2 LYS B 628 -1.431 3.904 -12.562 1.00 0.00 H new ATOM 0 HE3 LYS B 628 -1.669 5.400 -11.681 1.00 0.00 H new ATOM 0 HZ1 LYS B 628 -0.198 6.002 -13.350 1.00 0.00 H new ATOM 0 HZ2 LYS B 628 0.858 5.716 -12.051 1.00 0.00 H new ATOM 0 HZ3 LYS B 628 0.676 4.549 -13.271 1.00 0.00 H new ATOM 1489 N CYS B 629 4.397 1.656 -11.550 1.00 0.00 N ATOM 1490 CA CYS B 629 5.622 2.359 -12.031 1.00 0.00 C ATOM 1491 C CYS B 629 5.306 3.724 -12.653 1.00 0.00 C ATOM 1492 O CYS B 629 4.386 3.888 -13.430 1.00 0.00 O ATOM 1493 CB CYS B 629 6.338 1.490 -13.065 1.00 0.00 C ATOM 1494 SG CYS B 629 7.766 2.393 -13.713 1.00 0.00 S ATOM 0 H CYS B 629 4.231 0.743 -11.974 1.00 0.00 H new ATOM 0 HA CYS B 629 6.260 2.529 -11.164 1.00 0.00 H new ATOM 0 HB2 CYS B 629 6.661 0.553 -12.610 1.00 0.00 H new ATOM 0 HB3 CYS B 629 5.657 1.232 -13.876 1.00 0.00 H new ATOM 1499 N SER B 630 6.118 4.690 -12.312 1.00 0.00 N ATOM 1500 CA SER B 630 5.977 6.075 -12.856 1.00 0.00 C ATOM 1501 C SER B 630 7.390 6.614 -13.101 1.00 0.00 C ATOM 1502 O SER B 630 8.351 6.074 -12.589 1.00 0.00 O ATOM 1503 CB SER B 630 5.235 6.961 -11.840 1.00 0.00 C ATOM 1504 OG SER B 630 6.167 7.780 -11.144 1.00 0.00 O ATOM 0 H SER B 630 6.895 4.574 -11.661 1.00 0.00 H new ATOM 0 HA SER B 630 5.404 6.074 -13.783 1.00 0.00 H new ATOM 0 HB2 SER B 630 4.502 7.584 -12.353 1.00 0.00 H new ATOM 0 HB3 SER B 630 4.686 6.339 -11.134 1.00 0.00 H new ATOM 0 HG SER B 630 6.453 7.326 -10.324 1.00 0.00 H new ATOM 1510 N GLU B 631 7.554 7.647 -13.884 1.00 0.00 N ATOM 1511 CA GLU B 631 8.933 8.155 -14.141 1.00 0.00 C ATOM 1512 C GLU B 631 9.507 8.804 -12.877 1.00 0.00 C ATOM 1513 O GLU B 631 10.685 8.694 -12.603 1.00 0.00 O ATOM 1514 CB GLU B 631 8.896 9.179 -15.278 1.00 0.00 C ATOM 1515 CG GLU B 631 10.324 9.580 -15.652 1.00 0.00 C ATOM 1516 CD GLU B 631 10.288 10.544 -16.840 1.00 0.00 C ATOM 1517 OE1 GLU B 631 10.110 11.729 -16.613 1.00 0.00 O ATOM 1518 OE2 GLU B 631 10.439 10.080 -17.959 1.00 0.00 O ATOM 0 H GLU B 631 6.803 8.155 -14.351 1.00 0.00 H new ATOM 0 HA GLU B 631 9.572 7.318 -14.424 1.00 0.00 H new ATOM 0 HB2 GLU B 631 8.387 8.757 -16.145 1.00 0.00 H new ATOM 0 HB3 GLU B 631 8.329 10.058 -14.971 1.00 0.00 H new ATOM 0 HG2 GLU B 631 10.815 10.052 -14.801 1.00 0.00 H new ATOM 0 HG3 GLU B 631 10.907 8.695 -15.906 1.00 0.00 H new ATOM 1525 N ARG B 632 8.701 9.475 -12.103 1.00 0.00 N ATOM 1526 CA ARG B 632 9.238 10.111 -10.865 1.00 0.00 C ATOM 1527 C ARG B 632 9.565 9.012 -9.850 1.00 0.00 C ATOM 1528 O ARG B 632 10.289 9.218 -8.897 1.00 0.00 O ATOM 1529 CB ARG B 632 8.186 11.060 -10.286 1.00 0.00 C ATOM 1530 CG ARG B 632 7.918 12.201 -11.282 1.00 0.00 C ATOM 1531 CD ARG B 632 9.168 13.098 -11.431 1.00 0.00 C ATOM 1532 NE ARG B 632 8.763 14.541 -11.417 1.00 0.00 N ATOM 1533 CZ ARG B 632 7.777 14.977 -12.158 1.00 0.00 C ATOM 1534 NH1 ARG B 632 7.190 14.186 -13.014 1.00 0.00 N ATOM 1535 NH2 ARG B 632 7.399 16.223 -12.064 1.00 0.00 N ATOM 0 H ARG B 632 7.704 9.611 -12.270 1.00 0.00 H new ATOM 0 HA ARG B 632 10.140 10.678 -11.094 1.00 0.00 H new ATOM 0 HB2 ARG B 632 7.263 10.516 -10.083 1.00 0.00 H new ATOM 0 HB3 ARG B 632 8.532 11.467 -9.336 1.00 0.00 H new ATOM 0 HG2 ARG B 632 7.643 11.787 -12.252 1.00 0.00 H new ATOM 0 HG3 ARG B 632 7.073 12.799 -10.940 1.00 0.00 H new ATOM 0 HD2 ARG B 632 9.868 12.900 -10.619 1.00 0.00 H new ATOM 0 HD3 ARG B 632 9.685 12.865 -12.362 1.00 0.00 H new ATOM 0 HE ARG B 632 9.266 15.196 -10.818 1.00 0.00 H new ATOM 0 HH11 ARG B 632 7.499 13.219 -13.110 1.00 0.00 H new ATOM 0 HH12 ARG B 632 6.422 14.535 -13.587 1.00 0.00 H new ATOM 0 HH21 ARG B 632 7.872 16.852 -11.415 1.00 0.00 H new ATOM 0 HH22 ARG B 632 6.631 16.568 -12.640 1.00 0.00 H new ATOM 1549 N GLY B 633 9.024 7.842 -10.062 1.00 0.00 N ATOM 1550 CA GLY B 633 9.275 6.700 -9.131 1.00 0.00 C ATOM 1551 C GLY B 633 7.997 5.873 -9.006 1.00 0.00 C ATOM 1552 O GLY B 633 6.987 6.192 -9.600 1.00 0.00 O ATOM 0 H GLY B 633 8.412 7.625 -10.849 1.00 0.00 H new ATOM 0 HA2 GLY B 633 10.090 6.080 -9.506 1.00 0.00 H new ATOM 0 HA3 GLY B 633 9.581 7.071 -8.153 1.00 0.00 H new ATOM 1556 N VAL B 634 8.017 4.814 -8.244 1.00 0.00 N ATOM 1557 CA VAL B 634 6.802 3.972 -8.086 1.00 0.00 C ATOM 1558 C VAL B 634 5.838 4.630 -7.100 1.00 0.00 C ATOM 1559 O VAL B 634 6.221 5.476 -6.316 1.00 0.00 O ATOM 1560 CB VAL B 634 7.242 2.619 -7.517 1.00 0.00 C ATOM 1561 CG1 VAL B 634 6.020 1.774 -7.149 1.00 0.00 C ATOM 1562 CG2 VAL B 634 8.073 1.875 -8.566 1.00 0.00 C ATOM 0 H VAL B 634 8.832 4.495 -7.720 1.00 0.00 H new ATOM 0 HA VAL B 634 6.302 3.852 -9.047 1.00 0.00 H new ATOM 0 HB VAL B 634 7.838 2.789 -6.621 1.00 0.00 H new ATOM 0 HG11 VAL B 634 6.348 0.816 -6.746 1.00 0.00 H new ATOM 0 HG12 VAL B 634 5.427 2.299 -6.400 1.00 0.00 H new ATOM 0 HG13 VAL B 634 5.413 1.605 -8.039 1.00 0.00 H new ATOM 0 HG21 VAL B 634 8.388 0.912 -8.165 1.00 0.00 H new ATOM 0 HG22 VAL B 634 7.471 1.716 -9.461 1.00 0.00 H new ATOM 0 HG23 VAL B 634 8.952 2.467 -8.820 1.00 0.00 H new ATOM 1572 N VAL B 635 4.597 4.226 -7.105 1.00 0.00 N ATOM 1573 CA VAL B 635 3.619 4.802 -6.137 1.00 0.00 C ATOM 1574 C VAL B 635 2.532 3.762 -5.863 1.00 0.00 C ATOM 1575 O VAL B 635 2.100 3.056 -6.754 1.00 0.00 O ATOM 1576 CB VAL B 635 2.998 6.078 -6.705 1.00 0.00 C ATOM 1577 CG1 VAL B 635 4.069 7.165 -6.813 1.00 0.00 C ATOM 1578 CG2 VAL B 635 2.422 5.793 -8.094 1.00 0.00 C ATOM 0 H VAL B 635 4.217 3.522 -7.738 1.00 0.00 H new ATOM 0 HA VAL B 635 4.129 5.058 -5.208 1.00 0.00 H new ATOM 0 HB VAL B 635 2.201 6.417 -6.043 1.00 0.00 H new ATOM 0 HG11 VAL B 635 3.625 8.074 -7.218 1.00 0.00 H new ATOM 0 HG12 VAL B 635 4.479 7.371 -5.824 1.00 0.00 H new ATOM 0 HG13 VAL B 635 4.867 6.825 -7.474 1.00 0.00 H new ATOM 0 HG21 VAL B 635 1.979 6.703 -8.498 1.00 0.00 H new ATOM 0 HG22 VAL B 635 3.219 5.452 -8.755 1.00 0.00 H new ATOM 0 HG23 VAL B 635 1.657 5.020 -8.019 1.00 0.00 H new ATOM 1588 N ILE B 636 2.092 3.657 -4.631 1.00 0.00 N ATOM 1589 CA ILE B 636 1.034 2.657 -4.276 1.00 0.00 C ATOM 1590 C ILE B 636 -0.058 3.344 -3.459 1.00 0.00 C ATOM 1591 O ILE B 636 0.215 4.179 -2.620 1.00 0.00 O ATOM 1592 CB ILE B 636 1.651 1.539 -3.430 1.00 0.00 C ATOM 1593 CG1 ILE B 636 2.814 0.903 -4.194 1.00 0.00 C ATOM 1594 CG2 ILE B 636 0.589 0.477 -3.134 1.00 0.00 C ATOM 1595 CD1 ILE B 636 3.603 -0.009 -3.252 1.00 0.00 C ATOM 0 H ILE B 636 2.423 4.225 -3.851 1.00 0.00 H new ATOM 0 HA ILE B 636 0.611 2.241 -5.190 1.00 0.00 H new ATOM 0 HB ILE B 636 2.019 1.954 -2.492 1.00 0.00 H new ATOM 0 HG12 ILE B 636 2.437 0.330 -5.041 1.00 0.00 H new ATOM 0 HG13 ILE B 636 3.465 1.678 -4.598 1.00 0.00 H new ATOM 0 HG21 ILE B 636 1.028 -0.319 -2.532 1.00 0.00 H new ATOM 0 HG22 ILE B 636 -0.238 0.931 -2.588 1.00 0.00 H new ATOM 0 HG23 ILE B 636 0.219 0.061 -4.071 1.00 0.00 H new ATOM 0 HD11 ILE B 636 4.432 -0.463 -3.795 1.00 0.00 H new ATOM 0 HD12 ILE B 636 3.992 0.577 -2.419 1.00 0.00 H new ATOM 0 HD13 ILE B 636 2.948 -0.792 -2.870 1.00 0.00 H new ATOM 1607 N ASN B 637 -1.294 2.997 -3.689 1.00 0.00 N ATOM 1608 CA ASN B 637 -2.395 3.631 -2.916 1.00 0.00 C ATOM 1609 C ASN B 637 -2.526 2.937 -1.562 1.00 0.00 C ATOM 1610 O ASN B 637 -2.528 1.727 -1.461 1.00 0.00 O ATOM 1611 CB ASN B 637 -3.709 3.516 -3.692 1.00 0.00 C ATOM 1612 CG ASN B 637 -3.561 4.208 -5.048 1.00 0.00 C ATOM 1613 OD1 ASN B 637 -3.782 5.397 -5.163 1.00 0.00 O ATOM 1614 ND2 ASN B 637 -3.192 3.509 -6.086 1.00 0.00 N ATOM 0 H ASN B 637 -1.587 2.304 -4.377 1.00 0.00 H new ATOM 0 HA ASN B 637 -2.170 4.686 -2.761 1.00 0.00 H new ATOM 0 HB2 ASN B 637 -3.970 2.467 -3.833 1.00 0.00 H new ATOM 0 HB3 ASN B 637 -4.520 3.973 -3.125 1.00 0.00 H new ATOM 0 HD21 ASN B 637 -3.089 3.961 -6.995 1.00 0.00 H new ATOM 0 HD22 ASN B 637 -3.007 2.511 -5.989 1.00 0.00 H new ATOM 1621 N ALA B 638 -2.625 3.716 -0.520 1.00 0.00 N ATOM 1622 CA ALA B 638 -2.749 3.141 0.849 1.00 0.00 C ATOM 1623 C ALA B 638 -3.787 2.012 0.868 1.00 0.00 C ATOM 1624 O ALA B 638 -3.894 1.281 1.830 1.00 0.00 O ATOM 1625 CB ALA B 638 -3.184 4.237 1.820 1.00 0.00 C ATOM 0 H ALA B 638 -2.625 4.735 -0.559 1.00 0.00 H new ATOM 0 HA ALA B 638 -1.782 2.736 1.147 1.00 0.00 H new ATOM 0 HB1 ALA B 638 -3.276 3.819 2.823 1.00 0.00 H new ATOM 0 HB2 ALA B 638 -2.441 5.034 1.825 1.00 0.00 H new ATOM 0 HB3 ALA B 638 -4.147 4.641 1.506 1.00 0.00 H new ATOM 1631 N GLU B 639 -4.559 1.864 -0.176 1.00 0.00 N ATOM 1632 CA GLU B 639 -5.591 0.781 -0.189 1.00 0.00 C ATOM 1633 C GLU B 639 -4.965 -0.560 -0.594 1.00 0.00 C ATOM 1634 O GLU B 639 -5.482 -1.608 -0.257 1.00 0.00 O ATOM 1635 CB GLU B 639 -6.710 1.145 -1.165 1.00 0.00 C ATOM 1636 CG GLU B 639 -7.359 2.460 -0.729 1.00 0.00 C ATOM 1637 CD GLU B 639 -8.452 2.846 -1.728 1.00 0.00 C ATOM 1638 OE1 GLU B 639 -8.968 1.956 -2.383 1.00 0.00 O ATOM 1639 OE2 GLU B 639 -8.753 4.025 -1.820 1.00 0.00 O ATOM 0 H GLU B 639 -4.522 2.441 -1.016 1.00 0.00 H new ATOM 0 HA GLU B 639 -6.002 0.682 0.816 1.00 0.00 H new ATOM 0 HB2 GLU B 639 -6.310 1.242 -2.174 1.00 0.00 H new ATOM 0 HB3 GLU B 639 -7.456 0.351 -1.193 1.00 0.00 H new ATOM 0 HG2 GLU B 639 -7.785 2.354 0.269 1.00 0.00 H new ATOM 0 HG3 GLU B 639 -6.608 3.248 -0.673 1.00 0.00 H new ATOM 1646 N ASP B 640 -3.844 -0.567 -1.264 1.00 0.00 N ATOM 1647 CA ASP B 640 -3.219 -1.880 -1.614 1.00 0.00 C ATOM 1648 C ASP B 640 -2.453 -2.371 -0.387 1.00 0.00 C ATOM 1649 O ASP B 640 -2.726 -3.431 0.140 1.00 0.00 O ATOM 1650 CB ASP B 640 -2.276 -1.722 -2.809 1.00 0.00 C ATOM 1651 CG ASP B 640 -3.011 -1.013 -3.949 1.00 0.00 C ATOM 1652 OD1 ASP B 640 -3.802 -1.664 -4.613 1.00 0.00 O ATOM 1653 OD2 ASP B 640 -2.769 0.167 -4.140 1.00 0.00 O ATOM 0 H ASP B 640 -3.340 0.261 -1.580 1.00 0.00 H new ATOM 0 HA ASP B 640 -3.985 -2.602 -1.895 1.00 0.00 H new ATOM 0 HB2 ASP B 640 -1.396 -1.149 -2.518 1.00 0.00 H new ATOM 0 HB3 ASP B 640 -1.925 -2.699 -3.141 1.00 0.00 H new ATOM 1658 N VAL B 641 -1.534 -1.593 0.105 1.00 0.00 N ATOM 1659 CA VAL B 641 -0.798 -2.001 1.334 1.00 0.00 C ATOM 1660 C VAL B 641 -1.821 -2.389 2.408 1.00 0.00 C ATOM 1661 O VAL B 641 -1.760 -3.468 2.964 1.00 0.00 O ATOM 1662 CB VAL B 641 0.064 -0.830 1.825 1.00 0.00 C ATOM 1663 CG1 VAL B 641 -0.808 0.408 2.062 1.00 0.00 C ATOM 1664 CG2 VAL B 641 0.768 -1.224 3.128 1.00 0.00 C ATOM 0 H VAL B 641 -1.259 -0.693 -0.289 1.00 0.00 H new ATOM 0 HA VAL B 641 -0.148 -2.850 1.122 1.00 0.00 H new ATOM 0 HB VAL B 641 0.809 -0.594 1.065 1.00 0.00 H new ATOM 0 HG11 VAL B 641 -0.184 1.231 2.410 1.00 0.00 H new ATOM 0 HG12 VAL B 641 -1.297 0.692 1.130 1.00 0.00 H new ATOM 0 HG13 VAL B 641 -1.564 0.182 2.814 1.00 0.00 H new ATOM 0 HG21 VAL B 641 1.380 -0.392 3.477 1.00 0.00 H new ATOM 0 HG22 VAL B 641 0.023 -1.468 3.885 1.00 0.00 H new ATOM 0 HG23 VAL B 641 1.403 -2.092 2.951 1.00 0.00 H new ATOM 1674 N GLN B 642 -2.763 -1.532 2.706 1.00 0.00 N ATOM 1675 CA GLN B 642 -3.780 -1.882 3.745 1.00 0.00 C ATOM 1676 C GLN B 642 -4.322 -3.288 3.467 1.00 0.00 C ATOM 1677 O GLN B 642 -4.597 -4.046 4.376 1.00 0.00 O ATOM 1678 CB GLN B 642 -4.924 -0.865 3.718 1.00 0.00 C ATOM 1679 CG GLN B 642 -5.855 -1.105 4.908 1.00 0.00 C ATOM 1680 CD GLN B 642 -5.131 -0.742 6.205 1.00 0.00 C ATOM 1681 OE1 GLN B 642 -4.141 -0.038 6.184 1.00 0.00 O ATOM 1682 NE2 GLN B 642 -5.586 -1.194 7.340 1.00 0.00 N ATOM 0 H GLN B 642 -2.873 -0.612 2.279 1.00 0.00 H new ATOM 0 HA GLN B 642 -3.316 -1.861 4.731 1.00 0.00 H new ATOM 0 HB2 GLN B 642 -4.524 0.148 3.756 1.00 0.00 H new ATOM 0 HB3 GLN B 642 -5.480 -0.954 2.785 1.00 0.00 H new ATOM 0 HG2 GLN B 642 -6.758 -0.504 4.803 1.00 0.00 H new ATOM 0 HG3 GLN B 642 -6.168 -2.149 4.934 1.00 0.00 H new ATOM 0 HE21 GLN B 642 -6.417 -1.785 7.357 1.00 0.00 H new ATOM 0 HE22 GLN B 642 -5.111 -0.957 8.211 1.00 0.00 H new ATOM 1691 N LEU B 643 -4.449 -3.656 2.220 1.00 0.00 N ATOM 1692 CA LEU B 643 -4.937 -5.027 1.896 1.00 0.00 C ATOM 1693 C LEU B 643 -3.762 -6.006 1.978 1.00 0.00 C ATOM 1694 O LEU B 643 -3.951 -7.193 2.132 1.00 0.00 O ATOM 1695 CB LEU B 643 -5.533 -5.056 0.484 1.00 0.00 C ATOM 1696 CG LEU B 643 -6.801 -4.186 0.428 1.00 0.00 C ATOM 1697 CD1 LEU B 643 -7.142 -3.875 -1.033 1.00 0.00 C ATOM 1698 CD2 LEU B 643 -7.987 -4.922 1.071 1.00 0.00 C ATOM 0 H LEU B 643 -4.236 -3.068 1.414 1.00 0.00 H new ATOM 0 HA LEU B 643 -5.710 -5.314 2.609 1.00 0.00 H new ATOM 0 HB2 LEU B 643 -4.800 -4.692 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU B 643 -5.773 -6.081 0.203 1.00 0.00 H new ATOM 0 HG LEU B 643 -6.614 -3.262 0.976 1.00 0.00 H new ATOM 0 HD11 LEU B 643 -8.040 -3.259 -1.074 1.00 0.00 H new ATOM 0 HD12 LEU B 643 -6.313 -3.339 -1.494 1.00 0.00 H new ATOM 0 HD13 LEU B 643 -7.316 -4.806 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU B 643 -8.875 -4.292 1.023 1.00 0.00 H new ATOM 0 HD22 LEU B 643 -8.172 -5.852 0.534 1.00 0.00 H new ATOM 0 HD23 LEU B 643 -7.756 -5.144 2.113 1.00 0.00 H new ATOM 1710 N ALA B 644 -2.551 -5.526 1.905 1.00 0.00 N ATOM 1711 CA ALA B 644 -1.380 -6.452 2.016 1.00 0.00 C ATOM 1712 C ALA B 644 -1.019 -6.633 3.490 1.00 0.00 C ATOM 1713 O ALA B 644 -0.573 -7.687 3.900 1.00 0.00 O ATOM 1714 CB ALA B 644 -0.180 -5.875 1.265 1.00 0.00 C ATOM 0 H ALA B 644 -2.319 -4.541 1.774 1.00 0.00 H new ATOM 0 HA ALA B 644 -1.642 -7.415 1.578 1.00 0.00 H new ATOM 0 HB1 ALA B 644 0.666 -6.557 1.352 1.00 0.00 H new ATOM 0 HB2 ALA B 644 -0.436 -5.747 0.213 1.00 0.00 H new ATOM 0 HB3 ALA B 644 0.087 -4.909 1.693 1.00 0.00 H new ATOM 1720 N LEU B 645 -1.203 -5.624 4.294 1.00 0.00 N ATOM 1721 CA LEU B 645 -0.866 -5.756 5.741 1.00 0.00 C ATOM 1722 C LEU B 645 -2.067 -6.325 6.504 1.00 0.00 C ATOM 1723 O LEU B 645 -1.921 -6.900 7.565 1.00 0.00 O ATOM 1724 CB LEU B 645 -0.507 -4.380 6.309 1.00 0.00 C ATOM 1725 CG LEU B 645 0.680 -3.779 5.540 1.00 0.00 C ATOM 1726 CD1 LEU B 645 0.999 -2.399 6.122 1.00 0.00 C ATOM 1727 CD2 LEU B 645 1.915 -4.689 5.675 1.00 0.00 C ATOM 0 H LEU B 645 -1.571 -4.715 4.014 1.00 0.00 H new ATOM 0 HA LEU B 645 -0.017 -6.430 5.852 1.00 0.00 H new ATOM 0 HB2 LEU B 645 -1.368 -3.715 6.240 1.00 0.00 H new ATOM 0 HB3 LEU B 645 -0.257 -4.469 7.366 1.00 0.00 H new ATOM 0 HG LEU B 645 0.421 -3.691 4.485 1.00 0.00 H new ATOM 0 HD11 LEU B 645 1.840 -1.963 5.584 1.00 0.00 H new ATOM 0 HD12 LEU B 645 0.128 -1.751 6.021 1.00 0.00 H new ATOM 0 HD13 LEU B 645 1.256 -2.499 7.177 1.00 0.00 H new ATOM 0 HD21 LEU B 645 2.750 -4.253 5.126 1.00 0.00 H new ATOM 0 HD22 LEU B 645 2.183 -4.785 6.727 1.00 0.00 H new ATOM 0 HD23 LEU B 645 1.687 -5.674 5.267 1.00 0.00 H new ATOM 1739 N ASN B 646 -3.257 -6.162 5.983 1.00 0.00 N ATOM 1740 CA ASN B 646 -4.467 -6.686 6.692 1.00 0.00 C ATOM 1741 C ASN B 646 -4.795 -8.106 6.213 1.00 0.00 C ATOM 1742 O ASN B 646 -5.525 -8.830 6.860 1.00 0.00 O ATOM 1743 CB ASN B 646 -5.658 -5.770 6.403 1.00 0.00 C ATOM 1744 CG ASN B 646 -6.873 -6.243 7.203 1.00 0.00 C ATOM 1745 OD1 ASN B 646 -6.738 -6.702 8.320 1.00 0.00 O ATOM 1746 ND2 ASN B 646 -8.063 -6.152 6.676 1.00 0.00 N ATOM 0 H ASN B 646 -3.444 -5.690 5.099 1.00 0.00 H new ATOM 0 HA ASN B 646 -4.265 -6.711 7.763 1.00 0.00 H new ATOM 0 HB2 ASN B 646 -5.412 -4.742 6.669 1.00 0.00 H new ATOM 0 HB3 ASN B 646 -5.886 -5.778 5.337 1.00 0.00 H new ATOM 0 HD21 ASN B 646 -8.879 -6.466 7.202 1.00 0.00 H new ATOM 0 HD22 ASN B 646 -8.177 -5.767 5.738 1.00 0.00 H new ATOM 1753 N LYS B 647 -4.268 -8.514 5.087 1.00 0.00 N ATOM 1754 CA LYS B 647 -4.561 -9.891 4.577 1.00 0.00 C ATOM 1755 C LYS B 647 -3.469 -10.854 5.055 1.00 0.00 C ATOM 1756 O LYS B 647 -3.615 -12.057 4.984 1.00 0.00 O ATOM 1757 CB LYS B 647 -4.598 -9.864 3.044 1.00 0.00 C ATOM 1758 CG LYS B 647 -5.172 -11.179 2.509 1.00 0.00 C ATOM 1759 CD LYS B 647 -5.119 -11.181 0.975 1.00 0.00 C ATOM 1760 CE LYS B 647 -6.004 -10.060 0.409 1.00 0.00 C ATOM 1761 NZ LYS B 647 -5.216 -8.797 0.336 1.00 0.00 N ATOM 0 H LYS B 647 -3.649 -7.956 4.499 1.00 0.00 H new ATOM 0 HA LYS B 647 -5.526 -10.228 4.956 1.00 0.00 H new ATOM 0 HB2 LYS B 647 -5.206 -9.027 2.702 1.00 0.00 H new ATOM 0 HB3 LYS B 647 -3.593 -9.710 2.651 1.00 0.00 H new ATOM 0 HG2 LYS B 647 -4.604 -12.022 2.903 1.00 0.00 H new ATOM 0 HG3 LYS B 647 -6.201 -11.302 2.847 1.00 0.00 H new ATOM 0 HD2 LYS B 647 -4.091 -11.046 0.640 1.00 0.00 H new ATOM 0 HD3 LYS B 647 -5.454 -12.146 0.594 1.00 0.00 H new ATOM 0 HE2 LYS B 647 -6.367 -10.333 -0.582 1.00 0.00 H new ATOM 0 HE3 LYS B 647 -6.880 -9.919 1.042 1.00 0.00 H new ATOM 0 HZ1 LYS B 647 -5.463 -8.186 1.141 1.00 0.00 H new ATOM 0 HZ2 LYS B 647 -4.201 -9.019 0.369 1.00 0.00 H new ATOM 0 HZ3 LYS B 647 -5.433 -8.303 -0.553 1.00 0.00 H new ATOM 1775 N HIS B 648 -2.378 -10.331 5.560 1.00 0.00 N ATOM 1776 CA HIS B 648 -1.271 -11.205 6.062 1.00 0.00 C ATOM 1777 C HIS B 648 -1.236 -11.143 7.590 1.00 0.00 C ATOM 1778 O HIS B 648 -0.255 -11.497 8.214 1.00 0.00 O ATOM 1779 CB HIS B 648 0.062 -10.703 5.501 1.00 0.00 C ATOM 1780 CG HIS B 648 0.115 -10.975 4.022 1.00 0.00 C ATOM 1781 ND1 HIS B 648 -0.746 -11.869 3.404 1.00 0.00 N ATOM 1782 CD2 HIS B 648 0.918 -10.479 3.027 1.00 0.00 C ATOM 1783 CE1 HIS B 648 -0.443 -11.882 2.094 1.00 0.00 C ATOM 1784 NE2 HIS B 648 0.564 -11.052 1.809 1.00 0.00 N ATOM 0 H HIS B 648 -2.206 -9.329 5.647 1.00 0.00 H new ATOM 0 HA HIS B 648 -1.438 -12.233 5.741 1.00 0.00 H new ATOM 0 HB2 HIS B 648 0.170 -9.635 5.690 1.00 0.00 H new ATOM 0 HB3 HIS B 648 0.891 -11.201 6.004 1.00 0.00 H new ATOM 0 HD1 HIS B 648 -1.476 -12.417 3.860 1.00 0.00 H new ATOM 0 HD2 HIS B 648 1.706 -9.754 3.167 1.00 0.00 H new ATOM 0 HE1 HIS B 648 -0.952 -12.490 1.361 1.00 0.00 H new ATOM 1792 N MET B 649 -2.305 -10.698 8.196 1.00 0.00 N ATOM 1793 CA MET B 649 -2.351 -10.609 9.687 1.00 0.00 C ATOM 1794 C MET B 649 -3.039 -11.855 10.248 1.00 0.00 C ATOM 1795 O MET B 649 -4.250 -11.958 10.254 1.00 0.00 O ATOM 1796 CB MET B 649 -3.143 -9.365 10.094 1.00 0.00 C ATOM 1797 CG MET B 649 -2.972 -9.118 11.593 1.00 0.00 C ATOM 1798 SD MET B 649 -1.301 -8.501 11.914 1.00 0.00 S ATOM 1799 CE MET B 649 -1.644 -6.747 11.631 1.00 0.00 C ATOM 0 H MET B 649 -3.153 -10.390 7.720 1.00 0.00 H new ATOM 0 HA MET B 649 -1.337 -10.543 10.082 1.00 0.00 H new ATOM 0 HB2 MET B 649 -2.795 -8.499 9.530 1.00 0.00 H new ATOM 0 HB3 MET B 649 -4.198 -9.498 9.855 1.00 0.00 H new ATOM 0 HG2 MET B 649 -3.711 -8.396 11.940 1.00 0.00 H new ATOM 0 HG3 MET B 649 -3.143 -10.041 12.147 1.00 0.00 H new ATOM 0 HE1 MET B 649 -0.761 -6.159 11.881 1.00 0.00 H new ATOM 0 HE2 MET B 649 -1.899 -6.591 10.583 1.00 0.00 H new ATOM 0 HE3 MET B 649 -2.479 -6.434 12.258 1.00 0.00 H new ATOM 1809 N ASN B 650 -2.277 -12.803 10.719 1.00 0.00 N ATOM 1810 CA ASN B 650 -2.888 -14.042 11.281 1.00 0.00 C ATOM 1811 C ASN B 650 -3.673 -13.692 12.546 1.00 0.00 C ATOM 1812 O ASN B 650 -4.890 -13.762 12.502 1.00 0.00 O ATOM 1813 CB ASN B 650 -1.783 -15.042 11.626 1.00 0.00 C ATOM 1814 CG ASN B 650 -2.412 -16.352 12.105 1.00 0.00 C ATOM 1815 OD1 ASN B 650 -3.385 -16.814 11.544 1.00 0.00 O ATOM 1816 ND2 ASN B 650 -1.893 -16.974 13.128 1.00 0.00 N ATOM 1817 OXT ASN B 650 -3.044 -13.361 13.538 1.00 0.00 O ATOM 0 H ASN B 650 -1.258 -12.774 10.739 1.00 0.00 H new ATOM 0 HA ASN B 650 -3.561 -14.483 10.546 1.00 0.00 H new ATOM 0 HB2 ASN B 650 -1.157 -15.225 10.752 1.00 0.00 H new ATOM 0 HB3 ASN B 650 -1.136 -14.632 12.401 1.00 0.00 H new ATOM 0 HD21 ASN B 650 -2.305 -17.848 13.456 1.00 0.00 H new ATOM 0 HD22 ASN B 650 -1.076 -16.586 13.600 1.00 0.00 H new