USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=12 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+ 158:sc= -1.66! (180deg=-2.08!) USER MOD Single : A 306 MET CE :methyl -170:sc=-0.000918 (180deg=-0.225) USER MOD Single : A 307 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.21) USER MOD Single : A 308 GLN : amide:sc= 0 X(o=0,f=-0.0097) 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 180:sc= -0.381 USER MOD Single : B 620 CYS SG : rot 180:sc= 0 USER MOD Single : B 621 SER OG : rot -35:sc= 0.37 USER MOD Single : B 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 626 LYS NZ :NH3+ -157:sc= -0.178 (180deg=-1.09) USER MOD Single : B 628 LYS NZ :NH3+ 149:sc= -0.247 (180deg=-1.44!) USER MOD Single : B 630 SER OG : rot 180:sc= 0 USER MOD Single : B 637 ASN : amide:sc= -0.878 K(o=-0.88,f=-10!) USER MOD Single : B 642 GLN : amide:sc= -4.42! C(o=-4.4!,f=-3.6!) USER MOD Single : B 646 ASN : amide:sc= -0.281 X(o=-0.28,f=-0.24) USER MOD Single : B 647 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 648 HIS : no HE2:sc= -6.31! C(o=-6.3!,f=-12!) USER MOD Single : B 649 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 650 ASN : amide:sc= -0.771 X(o=-0.77,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 338 N GLU A 301 18.412 -3.515 -1.046 1.00 0.00 N ATOM 339 CA GLU A 301 18.035 -4.575 -2.029 1.00 0.00 C ATOM 340 C GLU A 301 16.517 -4.625 -2.070 1.00 0.00 C ATOM 341 O GLU A 301 15.895 -4.981 -3.054 1.00 0.00 O ATOM 342 CB GLU A 301 18.562 -5.924 -1.531 1.00 0.00 C ATOM 343 CG GLU A 301 18.023 -6.195 -0.125 1.00 0.00 C ATOM 344 CD GLU A 301 18.725 -7.420 0.466 1.00 0.00 C ATOM 345 OE1 GLU A 301 18.793 -8.426 -0.220 1.00 0.00 O ATOM 346 OE2 GLU A 301 19.180 -7.329 1.593 1.00 0.00 O ATOM 0 HA GLU A 301 18.450 -4.364 -3.015 1.00 0.00 H new ATOM 0 HB2 GLU A 301 18.254 -6.720 -2.210 1.00 0.00 H new ATOM 0 HB3 GLU A 301 19.652 -5.919 -1.519 1.00 0.00 H new ATOM 0 HG2 GLU A 301 18.188 -5.326 0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 301 16.947 -6.363 -0.163 1.00 0.00 H new ATOM 353 N PHE A 302 15.932 -4.217 -0.981 1.00 0.00 N ATOM 354 CA PHE A 302 14.453 -4.188 -0.886 1.00 0.00 C ATOM 355 C PHE A 302 13.904 -3.027 -1.712 1.00 0.00 C ATOM 356 O PHE A 302 13.234 -3.223 -2.706 1.00 0.00 O ATOM 357 CB PHE A 302 14.036 -4.022 0.576 1.00 0.00 C ATOM 358 CG PHE A 302 12.530 -3.978 0.669 1.00 0.00 C ATOM 359 CD1 PHE A 302 11.804 -5.166 0.818 1.00 0.00 C ATOM 360 CD2 PHE A 302 11.860 -2.751 0.603 1.00 0.00 C ATOM 361 CE1 PHE A 302 10.408 -5.126 0.902 1.00 0.00 C ATOM 362 CE2 PHE A 302 10.463 -2.711 0.685 1.00 0.00 C ATOM 363 CZ PHE A 302 9.737 -3.899 0.835 1.00 0.00 C ATOM 0 H PHE A 302 16.423 -3.900 -0.145 1.00 0.00 H new ATOM 0 HA PHE A 302 14.050 -5.124 -1.273 1.00 0.00 H new ATOM 0 HB2 PHE A 302 14.424 -4.848 1.172 1.00 0.00 H new ATOM 0 HB3 PHE A 302 14.463 -3.106 0.985 1.00 0.00 H new ATOM 0 HD1 PHE A 302 12.321 -6.113 0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 302 12.421 -1.835 0.489 1.00 0.00 H new ATOM 0 HE1 PHE A 302 9.848 -6.042 1.019 1.00 0.00 H new ATOM 0 HE2 PHE A 302 9.946 -1.764 0.633 1.00 0.00 H new ATOM 0 HZ PHE A 302 8.659 -3.869 0.899 1.00 0.00 H new ATOM 373 N CYS A 303 14.186 -1.820 -1.317 1.00 0.00 N ATOM 374 CA CYS A 303 13.681 -0.656 -2.091 1.00 0.00 C ATOM 375 C CYS A 303 14.370 -0.634 -3.459 1.00 0.00 C ATOM 376 O CYS A 303 13.735 -0.520 -4.488 1.00 0.00 O ATOM 377 CB CYS A 303 13.986 0.635 -1.320 1.00 0.00 C ATOM 378 SG CYS A 303 12.838 1.932 -1.830 1.00 0.00 S ATOM 0 H CYS A 303 14.743 -1.589 -0.494 1.00 0.00 H new ATOM 0 HA CYS A 303 12.603 -0.735 -2.233 1.00 0.00 H new ATOM 0 HB2 CYS A 303 13.899 0.459 -0.248 1.00 0.00 H new ATOM 0 HB3 CYS A 303 15.012 0.949 -1.509 1.00 0.00 H new ATOM 383 N SER A 304 15.671 -0.740 -3.471 1.00 0.00 N ATOM 384 CA SER A 304 16.416 -0.725 -4.761 1.00 0.00 C ATOM 385 C SER A 304 15.793 -1.726 -5.741 1.00 0.00 C ATOM 386 O SER A 304 15.879 -1.557 -6.946 1.00 0.00 O ATOM 387 CB SER A 304 17.876 -1.106 -4.507 1.00 0.00 C ATOM 388 OG SER A 304 18.601 -1.032 -5.727 1.00 0.00 O ATOM 0 H SER A 304 16.252 -0.837 -2.638 1.00 0.00 H new ATOM 0 HA SER A 304 16.364 0.275 -5.192 1.00 0.00 H new ATOM 0 HB2 SER A 304 18.315 -0.435 -3.769 1.00 0.00 H new ATOM 0 HB3 SER A 304 17.934 -2.114 -4.097 1.00 0.00 H new ATOM 0 HG SER A 304 19.537 -1.274 -5.567 1.00 0.00 H new ATOM 394 N LYS A 305 15.116 -2.739 -5.242 1.00 0.00 N ATOM 395 CA LYS A 305 14.451 -3.721 -6.163 1.00 0.00 C ATOM 396 C LYS A 305 12.963 -3.385 -6.226 1.00 0.00 C ATOM 397 O LYS A 305 12.249 -3.807 -7.123 1.00 0.00 O ATOM 398 CB LYS A 305 14.664 -5.159 -5.682 1.00 0.00 C ATOM 399 CG LYS A 305 14.094 -6.133 -6.715 1.00 0.00 C ATOM 400 CD LYS A 305 14.524 -7.562 -6.370 1.00 0.00 C ATOM 401 CE LYS A 305 14.071 -7.912 -4.949 1.00 0.00 C ATOM 402 NZ LYS A 305 12.718 -7.340 -4.698 1.00 0.00 N ATOM 0 H LYS A 305 14.996 -2.926 -4.247 1.00 0.00 H new ATOM 0 HA LYS A 305 14.892 -3.648 -7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 305 15.727 -5.350 -5.534 1.00 0.00 H new ATOM 0 HB3 LYS A 305 14.176 -5.307 -4.719 1.00 0.00 H new ATOM 0 HG2 LYS A 305 13.006 -6.064 -6.732 1.00 0.00 H new ATOM 0 HG3 LYS A 305 14.446 -5.868 -7.712 1.00 0.00 H new ATOM 0 HD2 LYS A 305 14.091 -8.264 -7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 305 15.607 -7.655 -6.449 1.00 0.00 H new ATOM 0 HE2 LYS A 305 14.049 -8.994 -4.820 1.00 0.00 H new ATOM 0 HE3 LYS A 305 14.783 -7.519 -4.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 305 12.259 -7.861 -3.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 305 12.808 -6.338 -4.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 305 12.141 -7.421 -5.560 1.00 0.00 H new ATOM 416 N MET A 306 12.492 -2.574 -5.324 1.00 0.00 N ATOM 417 CA MET A 306 11.069 -2.177 -5.390 1.00 0.00 C ATOM 418 C MET A 306 10.923 -1.212 -6.558 1.00 0.00 C ATOM 419 O MET A 306 9.864 -1.100 -7.143 1.00 0.00 O ATOM 420 CB MET A 306 10.639 -1.493 -4.088 1.00 0.00 C ATOM 421 CG MET A 306 9.115 -1.327 -4.063 1.00 0.00 C ATOM 422 SD MET A 306 8.353 -2.881 -3.517 1.00 0.00 S ATOM 423 CE MET A 306 7.674 -2.292 -1.945 1.00 0.00 C ATOM 0 H MET A 306 13.027 -2.174 -4.553 1.00 0.00 H new ATOM 0 HA MET A 306 10.436 -3.054 -5.527 1.00 0.00 H new ATOM 0 HB2 MET A 306 10.963 -2.085 -3.232 1.00 0.00 H new ATOM 0 HB3 MET A 306 11.121 -0.519 -4.003 1.00 0.00 H new ATOM 0 HG2 MET A 306 8.837 -0.516 -3.390 1.00 0.00 H new ATOM 0 HG3 MET A 306 8.750 -1.058 -5.054 1.00 0.00 H new ATOM 0 HE1 MET A 306 7.314 -3.141 -1.363 1.00 0.00 H new ATOM 0 HE2 MET A 306 8.451 -1.772 -1.385 1.00 0.00 H new ATOM 0 HE3 MET A 306 6.848 -1.608 -2.139 1.00 0.00 H new ATOM 433 N ASN A 307 11.988 -0.527 -6.935 1.00 0.00 N ATOM 434 CA ASN A 307 11.878 0.402 -8.100 1.00 0.00 C ATOM 435 C ASN A 307 12.160 -0.432 -9.345 1.00 0.00 C ATOM 436 O ASN A 307 11.499 -0.309 -10.352 1.00 0.00 O ATOM 437 CB ASN A 307 12.891 1.544 -7.977 1.00 0.00 C ATOM 438 CG ASN A 307 12.779 2.459 -9.199 1.00 0.00 C ATOM 439 OD1 ASN A 307 12.227 3.540 -9.114 1.00 0.00 O ATOM 440 ND2 ASN A 307 13.283 2.072 -10.338 1.00 0.00 N ATOM 0 H ASN A 307 12.906 -0.574 -6.493 1.00 0.00 H new ATOM 0 HA ASN A 307 10.889 0.857 -8.147 1.00 0.00 H new ATOM 0 HB2 ASN A 307 12.706 2.112 -7.066 1.00 0.00 H new ATOM 0 HB3 ASN A 307 13.901 1.142 -7.902 1.00 0.00 H new ATOM 0 HD21 ASN A 307 13.214 2.676 -11.157 1.00 0.00 H new ATOM 0 HD22 ASN A 307 13.746 1.166 -10.409 1.00 0.00 H new ATOM 447 N GLN A 308 13.144 -1.314 -9.242 1.00 0.00 N ATOM 448 CA GLN A 308 13.505 -2.223 -10.384 1.00 0.00 C ATOM 449 C GLN A 308 12.241 -2.612 -11.151 1.00 0.00 C ATOM 450 O GLN A 308 12.229 -2.663 -12.365 1.00 0.00 O ATOM 451 CB GLN A 308 14.145 -3.496 -9.818 1.00 0.00 C ATOM 452 CG GLN A 308 14.332 -4.527 -10.937 1.00 0.00 C ATOM 453 CD GLN A 308 15.313 -5.608 -10.478 1.00 0.00 C ATOM 454 OE1 GLN A 308 16.479 -5.338 -10.270 1.00 0.00 O ATOM 455 NE2 GLN A 308 14.887 -6.830 -10.310 1.00 0.00 N ATOM 0 H GLN A 308 13.714 -1.439 -8.405 1.00 0.00 H new ATOM 0 HA GLN A 308 14.197 -1.711 -11.052 1.00 0.00 H new ATOM 0 HB2 GLN A 308 15.108 -3.259 -9.365 1.00 0.00 H new ATOM 0 HB3 GLN A 308 13.516 -3.911 -9.031 1.00 0.00 H new ATOM 0 HG2 GLN A 308 13.373 -4.977 -11.195 1.00 0.00 H new ATOM 0 HG3 GLN A 308 14.707 -4.039 -11.836 1.00 0.00 H new ATOM 0 HE21 GLN A 308 13.908 -7.057 -10.484 1.00 0.00 H new ATOM 0 HE22 GLN A 308 15.533 -7.558 -10.004 1.00 0.00 H new ATOM 464 N VAL A 309 11.171 -2.874 -10.445 1.00 0.00 N ATOM 465 CA VAL A 309 9.895 -3.244 -11.133 1.00 0.00 C ATOM 466 C VAL A 309 9.637 -2.268 -12.292 1.00 0.00 C ATOM 467 O VAL A 309 8.833 -2.516 -13.167 1.00 0.00 O ATOM 468 CB VAL A 309 8.731 -3.166 -10.135 1.00 0.00 C ATOM 469 CG1 VAL A 309 7.441 -3.601 -10.841 1.00 0.00 C ATOM 470 CG2 VAL A 309 9.014 -4.090 -8.931 1.00 0.00 C ATOM 0 H VAL A 309 11.124 -2.848 -9.426 1.00 0.00 H new ATOM 0 HA VAL A 309 9.975 -4.260 -11.520 1.00 0.00 H new ATOM 0 HB VAL A 309 8.621 -2.144 -9.773 1.00 0.00 H new ATOM 0 HG11 VAL A 309 6.608 -3.549 -10.140 1.00 0.00 H new ATOM 0 HG12 VAL A 309 7.247 -2.939 -11.685 1.00 0.00 H new ATOM 0 HG13 VAL A 309 7.550 -4.624 -11.200 1.00 0.00 H new ATOM 0 HG21 VAL A 309 8.186 -4.032 -8.225 1.00 0.00 H new ATOM 0 HG22 VAL A 309 9.123 -5.117 -9.279 1.00 0.00 H new ATOM 0 HG23 VAL A 309 9.934 -3.774 -8.438 1.00 0.00 H new ATOM 480 N CYS A 310 10.337 -1.166 -12.302 1.00 0.00 N ATOM 481 CA CYS A 310 10.171 -0.164 -13.394 1.00 0.00 C ATOM 482 C CYS A 310 11.077 -0.546 -14.570 1.00 0.00 C ATOM 483 O CYS A 310 11.433 0.281 -15.386 1.00 0.00 O ATOM 484 CB CYS A 310 10.549 1.232 -12.869 1.00 0.00 C ATOM 485 SG CYS A 310 9.091 2.003 -12.122 1.00 0.00 S ATOM 0 H CYS A 310 11.025 -0.915 -11.592 1.00 0.00 H new ATOM 0 HA CYS A 310 9.134 -0.149 -13.729 1.00 0.00 H new ATOM 0 HB2 CYS A 310 11.350 1.152 -12.134 1.00 0.00 H new ATOM 0 HB3 CYS A 310 10.925 1.851 -13.684 1.00 0.00 H new ATOM 490 N GLY A 311 11.446 -1.796 -14.668 1.00 0.00 N ATOM 491 CA GLY A 311 12.322 -2.235 -15.796 1.00 0.00 C ATOM 492 C GLY A 311 11.452 -2.638 -16.988 1.00 0.00 C ATOM 493 O GLY A 311 10.677 -3.571 -16.915 1.00 0.00 O ATOM 0 H GLY A 311 11.179 -2.533 -14.016 1.00 0.00 H new ATOM 0 HA2 GLY A 311 12.998 -1.429 -16.081 1.00 0.00 H new ATOM 0 HA3 GLY A 311 12.942 -3.075 -15.484 1.00 0.00 H new ATOM 928 N GLY B 593 -7.535 7.044 1.259 1.00 0.00 N ATOM 929 CA GLY B 593 -6.703 6.395 0.206 1.00 0.00 C ATOM 930 C GLY B 593 -5.618 7.367 -0.259 1.00 0.00 C ATOM 931 O GLY B 593 -5.754 8.024 -1.272 1.00 0.00 O ATOM 0 HA2 GLY B 593 -6.248 5.485 0.597 1.00 0.00 H new ATOM 0 HA3 GLY B 593 -7.329 6.101 -0.637 1.00 0.00 H new ATOM 935 N SER B 594 -4.540 7.468 0.474 1.00 0.00 N ATOM 936 CA SER B 594 -3.446 8.403 0.074 1.00 0.00 C ATOM 937 C SER B 594 -2.441 7.684 -0.820 1.00 0.00 C ATOM 938 O SER B 594 -2.424 6.472 -0.921 1.00 0.00 O ATOM 939 CB SER B 594 -2.711 8.926 1.302 1.00 0.00 C ATOM 940 OG SER B 594 -3.588 9.744 2.066 1.00 0.00 O ATOM 0 H SER B 594 -4.370 6.944 1.332 1.00 0.00 H new ATOM 0 HA SER B 594 -3.898 9.236 -0.465 1.00 0.00 H new ATOM 0 HB2 SER B 594 -2.354 8.093 1.907 1.00 0.00 H new ATOM 0 HB3 SER B 594 -1.835 9.498 0.998 1.00 0.00 H new ATOM 0 HG SER B 594 -3.117 10.079 2.857 1.00 0.00 H new ATOM 946 N LEU B 595 -1.602 8.440 -1.463 1.00 0.00 N ATOM 947 CA LEU B 595 -0.571 7.857 -2.363 1.00 0.00 C ATOM 948 C LEU B 595 0.740 7.726 -1.584 1.00 0.00 C ATOM 949 O LEU B 595 1.247 8.697 -1.059 1.00 0.00 O ATOM 950 CB LEU B 595 -0.367 8.817 -3.536 1.00 0.00 C ATOM 951 CG LEU B 595 -1.486 8.643 -4.576 1.00 0.00 C ATOM 952 CD1 LEU B 595 -1.360 7.286 -5.297 1.00 0.00 C ATOM 953 CD2 LEU B 595 -2.850 8.739 -3.880 1.00 0.00 C ATOM 0 H LEU B 595 -1.586 9.458 -1.402 1.00 0.00 H new ATOM 0 HA LEU B 595 -0.882 6.878 -2.727 1.00 0.00 H new ATOM 0 HB2 LEU B 595 -0.356 9.845 -3.174 1.00 0.00 H new ATOM 0 HB3 LEU B 595 0.601 8.632 -4.001 1.00 0.00 H new ATOM 0 HG LEU B 595 -1.397 9.434 -5.320 1.00 0.00 H new ATOM 0 HD11 LEU B 595 -2.163 7.186 -6.028 1.00 0.00 H new ATOM 0 HD12 LEU B 595 -0.397 7.232 -5.806 1.00 0.00 H new ATOM 0 HD13 LEU B 595 -1.431 6.479 -4.568 1.00 0.00 H new ATOM 0 HD21 LEU B 595 -3.644 8.616 -4.617 1.00 0.00 H new ATOM 0 HD22 LEU B 595 -2.930 7.956 -3.126 1.00 0.00 H new ATOM 0 HD23 LEU B 595 -2.947 9.714 -3.402 1.00 0.00 H new ATOM 965 N LEU B 596 1.295 6.537 -1.506 1.00 0.00 N ATOM 966 CA LEU B 596 2.583 6.347 -0.758 1.00 0.00 C ATOM 967 C LEU B 596 3.589 5.621 -1.660 1.00 0.00 C ATOM 968 O LEU B 596 3.216 4.972 -2.617 1.00 0.00 O ATOM 969 CB LEU B 596 2.322 5.539 0.522 1.00 0.00 C ATOM 970 CG LEU B 596 0.985 5.983 1.177 1.00 0.00 C ATOM 971 CD1 LEU B 596 -0.164 5.089 0.700 1.00 0.00 C ATOM 972 CD2 LEU B 596 1.090 5.868 2.703 1.00 0.00 C ATOM 0 H LEU B 596 0.912 5.691 -1.927 1.00 0.00 H new ATOM 0 HA LEU B 596 2.996 7.316 -0.477 1.00 0.00 H new ATOM 0 HB2 LEU B 596 2.284 4.475 0.287 1.00 0.00 H new ATOM 0 HB3 LEU B 596 3.144 5.681 1.224 1.00 0.00 H new ATOM 0 HG LEU B 596 0.789 7.016 0.890 1.00 0.00 H new ATOM 0 HD11 LEU B 596 -1.094 5.412 1.167 1.00 0.00 H new ATOM 0 HD12 LEU B 596 -0.257 5.163 -0.383 1.00 0.00 H new ATOM 0 HD13 LEU B 596 0.041 4.055 0.976 1.00 0.00 H new ATOM 0 HD21 LEU B 596 0.150 6.181 3.157 1.00 0.00 H new ATOM 0 HD22 LEU B 596 1.299 4.834 2.976 1.00 0.00 H new ATOM 0 HD23 LEU B 596 1.896 6.508 3.061 1.00 0.00 H new ATOM 984 N ARG B 597 4.869 5.759 -1.380 1.00 0.00 N ATOM 985 CA ARG B 597 5.916 5.114 -2.244 1.00 0.00 C ATOM 986 C ARG B 597 6.568 3.914 -1.545 1.00 0.00 C ATOM 987 O ARG B 597 5.946 3.192 -0.793 1.00 0.00 O ATOM 988 CB ARG B 597 6.997 6.147 -2.579 1.00 0.00 C ATOM 989 CG ARG B 597 6.334 7.478 -2.947 1.00 0.00 C ATOM 990 CD ARG B 597 7.404 8.489 -3.368 1.00 0.00 C ATOM 991 NE ARG B 597 8.093 9.014 -2.155 1.00 0.00 N ATOM 992 CZ ARG B 597 9.222 9.659 -2.273 1.00 0.00 C ATOM 993 NH1 ARG B 597 9.746 9.845 -3.454 1.00 0.00 N ATOM 994 NH2 ARG B 597 9.825 10.118 -1.211 1.00 0.00 N ATOM 0 H ARG B 597 5.233 6.291 -0.590 1.00 0.00 H new ATOM 0 HA ARG B 597 5.431 4.755 -3.152 1.00 0.00 H new ATOM 0 HB2 ARG B 597 7.662 6.283 -1.726 1.00 0.00 H new ATOM 0 HB3 ARG B 597 7.610 5.792 -3.408 1.00 0.00 H new ATOM 0 HG2 ARG B 597 5.622 7.328 -3.759 1.00 0.00 H new ATOM 0 HG3 ARG B 597 5.771 7.862 -2.096 1.00 0.00 H new ATOM 0 HD2 ARG B 597 8.126 8.015 -4.033 1.00 0.00 H new ATOM 0 HD3 ARG B 597 6.948 9.308 -3.924 1.00 0.00 H new ATOM 0 HE ARG B 597 7.682 8.869 -1.233 1.00 0.00 H new ATOM 0 HH11 ARG B 597 9.273 9.487 -4.284 1.00 0.00 H new ATOM 0 HH12 ARG B 597 10.628 10.349 -3.547 1.00 0.00 H new ATOM 0 HH21 ARG B 597 9.414 9.973 -0.289 1.00 0.00 H new ATOM 0 HH22 ARG B 597 10.707 10.622 -1.303 1.00 0.00 H new ATOM 1008 N CYS B 598 7.824 3.693 -1.835 1.00 0.00 N ATOM 1009 CA CYS B 598 8.570 2.534 -1.253 1.00 0.00 C ATOM 1010 C CYS B 598 8.839 2.748 0.245 1.00 0.00 C ATOM 1011 O CYS B 598 7.975 2.527 1.070 1.00 0.00 O ATOM 1012 CB CYS B 598 9.887 2.399 -2.021 1.00 0.00 C ATOM 1013 SG CYS B 598 11.040 1.322 -1.141 1.00 0.00 S ATOM 0 H CYS B 598 8.376 4.278 -2.463 1.00 0.00 H new ATOM 0 HA CYS B 598 7.978 1.623 -1.346 1.00 0.00 H new ATOM 0 HB2 CYS B 598 9.693 1.996 -3.015 1.00 0.00 H new ATOM 0 HB3 CYS B 598 10.335 3.383 -2.158 1.00 0.00 H new ATOM 1018 N SER B 599 10.032 3.161 0.608 1.00 0.00 N ATOM 1019 CA SER B 599 10.351 3.371 2.057 1.00 0.00 C ATOM 1020 C SER B 599 9.204 4.129 2.723 1.00 0.00 C ATOM 1021 O SER B 599 9.041 4.136 3.936 1.00 0.00 O ATOM 1022 CB SER B 599 11.639 4.186 2.182 1.00 0.00 C ATOM 1023 OG SER B 599 11.415 5.498 1.687 1.00 0.00 O ATOM 0 H SER B 599 10.797 3.361 -0.036 1.00 0.00 H new ATOM 0 HA SER B 599 10.483 2.405 2.545 1.00 0.00 H new ATOM 0 HB2 SER B 599 11.957 4.228 3.224 1.00 0.00 H new ATOM 0 HB3 SER B 599 12.442 3.706 1.623 1.00 0.00 H new ATOM 0 HG SER B 599 12.239 6.023 1.768 1.00 0.00 H new ATOM 1029 N GLU B 600 8.392 4.761 1.934 1.00 0.00 N ATOM 1030 CA GLU B 600 7.250 5.507 2.501 1.00 0.00 C ATOM 1031 C GLU B 600 6.491 4.587 3.460 1.00 0.00 C ATOM 1032 O GLU B 600 6.006 4.988 4.505 1.00 0.00 O ATOM 1033 CB GLU B 600 6.314 5.913 1.349 1.00 0.00 C ATOM 1034 CG GLU B 600 5.513 7.162 1.743 1.00 0.00 C ATOM 1035 CD GLU B 600 4.829 6.938 3.095 1.00 0.00 C ATOM 1036 OE1 GLU B 600 4.223 5.894 3.267 1.00 0.00 O ATOM 1037 OE2 GLU B 600 4.922 7.818 3.934 1.00 0.00 O ATOM 0 H GLU B 600 8.472 4.792 0.918 1.00 0.00 H new ATOM 0 HA GLU B 600 7.598 6.393 3.033 1.00 0.00 H new ATOM 0 HB2 GLU B 600 6.896 6.112 0.449 1.00 0.00 H new ATOM 0 HB3 GLU B 600 5.635 5.093 1.115 1.00 0.00 H new ATOM 0 HG2 GLU B 600 6.175 8.026 1.799 1.00 0.00 H new ATOM 0 HG3 GLU B 600 4.766 7.381 0.980 1.00 0.00 H new ATOM 1044 N ILE B 601 6.348 3.342 3.065 1.00 0.00 N ATOM 1045 CA ILE B 601 5.576 2.387 3.894 1.00 0.00 C ATOM 1046 C ILE B 601 6.346 2.107 5.188 1.00 0.00 C ATOM 1047 O ILE B 601 5.771 1.965 6.246 1.00 0.00 O ATOM 1048 CB ILE B 601 5.336 1.088 3.065 1.00 0.00 C ATOM 1049 CG1 ILE B 601 3.876 1.033 2.581 1.00 0.00 C ATOM 1050 CG2 ILE B 601 5.619 -0.180 3.885 1.00 0.00 C ATOM 1051 CD1 ILE B 601 3.655 2.081 1.487 1.00 0.00 C ATOM 0 H ILE B 601 6.736 2.956 2.204 1.00 0.00 H new ATOM 0 HA ILE B 601 4.606 2.801 4.169 1.00 0.00 H new ATOM 0 HB ILE B 601 6.023 1.120 2.220 1.00 0.00 H new ATOM 0 HG12 ILE B 601 3.647 0.039 2.197 1.00 0.00 H new ATOM 0 HG13 ILE B 601 3.199 1.216 3.415 1.00 0.00 H new ATOM 0 HG21 ILE B 601 5.439 -1.060 3.268 1.00 0.00 H new ATOM 0 HG22 ILE B 601 6.658 -0.175 4.216 1.00 0.00 H new ATOM 0 HG23 ILE B 601 4.962 -0.206 4.754 1.00 0.00 H new ATOM 0 HD11 ILE B 601 2.620 2.039 1.147 1.00 0.00 H new ATOM 0 HD12 ILE B 601 3.866 3.073 1.886 1.00 0.00 H new ATOM 0 HD13 ILE B 601 4.321 1.878 0.649 1.00 0.00 H new ATOM 1063 N TRP B 602 7.659 2.013 5.097 1.00 0.00 N ATOM 1064 CA TRP B 602 8.480 1.736 6.316 1.00 0.00 C ATOM 1065 C TRP B 602 7.953 2.633 7.434 1.00 0.00 C ATOM 1066 O TRP B 602 7.827 2.224 8.569 1.00 0.00 O ATOM 1067 CB TRP B 602 9.979 2.029 6.024 1.00 0.00 C ATOM 1068 CG TRP B 602 10.808 0.785 6.166 1.00 0.00 C ATOM 1069 CD1 TRP B 602 11.734 0.368 5.271 1.00 0.00 C ATOM 1070 CD2 TRP B 602 10.807 -0.199 7.243 1.00 0.00 C ATOM 1071 NE1 TRP B 602 12.299 -0.809 5.728 1.00 0.00 N ATOM 1072 CE2 TRP B 602 11.761 -1.199 6.938 1.00 0.00 C ATOM 1073 CE3 TRP B 602 10.078 -0.321 8.440 1.00 0.00 C ATOM 1074 CZ2 TRP B 602 11.985 -2.281 7.792 1.00 0.00 C ATOM 1075 CZ3 TRP B 602 10.301 -1.409 9.300 1.00 0.00 C ATOM 1076 CH2 TRP B 602 11.253 -2.387 8.977 1.00 0.00 C ATOM 0 H TRP B 602 8.190 2.117 4.232 1.00 0.00 H new ATOM 0 HA TRP B 602 8.404 0.689 6.611 1.00 0.00 H new ATOM 0 HB2 TRP B 602 10.085 2.428 5.015 1.00 0.00 H new ATOM 0 HB3 TRP B 602 10.344 2.794 6.710 1.00 0.00 H new ATOM 0 HD1 TRP B 602 11.990 0.872 4.351 1.00 0.00 H new ATOM 0 HE1 TRP B 602 13.025 -1.326 5.231 1.00 0.00 H new ATOM 0 HE3 TRP B 602 9.343 0.426 8.699 1.00 0.00 H new ATOM 0 HZ2 TRP B 602 12.719 -3.031 7.538 1.00 0.00 H new ATOM 0 HZ3 TRP B 602 9.735 -1.493 10.216 1.00 0.00 H new ATOM 0 HH2 TRP B 602 11.420 -3.220 9.643 1.00 0.00 H new ATOM 1087 N ASP B 603 7.596 3.843 7.101 1.00 0.00 N ATOM 1088 CA ASP B 603 7.024 4.741 8.138 1.00 0.00 C ATOM 1089 C ASP B 603 5.672 4.163 8.569 1.00 0.00 C ATOM 1090 O ASP B 603 5.352 4.110 9.740 1.00 0.00 O ATOM 1091 CB ASP B 603 6.827 6.142 7.556 1.00 0.00 C ATOM 1092 CG ASP B 603 8.176 6.699 7.100 1.00 0.00 C ATOM 1093 OD1 ASP B 603 9.167 6.405 7.748 1.00 0.00 O ATOM 1094 OD2 ASP B 603 8.196 7.411 6.109 1.00 0.00 O ATOM 0 H ASP B 603 7.675 4.244 6.166 1.00 0.00 H new ATOM 0 HA ASP B 603 7.696 4.811 8.993 1.00 0.00 H new ATOM 0 HB2 ASP B 603 6.134 6.104 6.715 1.00 0.00 H new ATOM 0 HB3 ASP B 603 6.384 6.799 8.304 1.00 0.00 H new ATOM 1099 N ARG B 604 4.883 3.710 7.624 1.00 0.00 N ATOM 1100 CA ARG B 604 3.556 3.114 7.975 1.00 0.00 C ATOM 1101 C ARG B 604 3.765 1.939 8.943 1.00 0.00 C ATOM 1102 O ARG B 604 2.963 1.688 9.820 1.00 0.00 O ATOM 1103 CB ARG B 604 2.864 2.606 6.704 1.00 0.00 C ATOM 1104 CG ARG B 604 2.692 3.762 5.705 1.00 0.00 C ATOM 1105 CD ARG B 604 1.601 4.738 6.176 1.00 0.00 C ATOM 1106 NE ARG B 604 0.417 3.988 6.683 1.00 0.00 N ATOM 1107 CZ ARG B 604 -0.474 4.595 7.417 1.00 0.00 C ATOM 1108 NH1 ARG B 604 -0.330 5.859 7.705 1.00 0.00 N ATOM 1109 NH2 ARG B 604 -1.510 3.938 7.863 1.00 0.00 N ATOM 0 H ARG B 604 5.100 3.727 6.628 1.00 0.00 H new ATOM 0 HA ARG B 604 2.933 3.874 8.447 1.00 0.00 H new ATOM 0 HB2 ARG B 604 3.454 1.808 6.252 1.00 0.00 H new ATOM 0 HB3 ARG B 604 1.892 2.182 6.954 1.00 0.00 H new ATOM 0 HG2 ARG B 604 3.637 4.294 5.592 1.00 0.00 H new ATOM 0 HG3 ARG B 604 2.431 3.364 4.724 1.00 0.00 H new ATOM 0 HD2 ARG B 604 1.995 5.382 6.962 1.00 0.00 H new ATOM 0 HD3 ARG B 604 1.303 5.386 5.352 1.00 0.00 H new ATOM 0 HE ARG B 604 0.304 3.000 6.456 1.00 0.00 H new ATOM 0 HH11 ARG B 604 0.479 6.373 7.356 1.00 0.00 H new ATOM 0 HH12 ARG B 604 -1.027 6.334 8.279 1.00 0.00 H new ATOM 0 HH21 ARG B 604 -1.623 2.950 7.638 1.00 0.00 H new ATOM 0 HH22 ARG B 604 -2.207 4.413 8.437 1.00 0.00 H new ATOM 1123 N ILE B 605 4.842 1.220 8.775 1.00 0.00 N ATOM 1124 CA ILE B 605 5.143 0.050 9.658 1.00 0.00 C ATOM 1125 C ILE B 605 5.820 0.498 10.956 1.00 0.00 C ATOM 1126 O ILE B 605 5.465 0.053 12.027 1.00 0.00 O ATOM 1127 CB ILE B 605 6.089 -0.896 8.913 1.00 0.00 C ATOM 1128 CG1 ILE B 605 5.388 -1.422 7.658 1.00 0.00 C ATOM 1129 CG2 ILE B 605 6.448 -2.077 9.822 1.00 0.00 C ATOM 1130 CD1 ILE B 605 6.419 -2.053 6.719 1.00 0.00 C ATOM 0 H ILE B 605 5.539 1.395 8.051 1.00 0.00 H new ATOM 0 HA ILE B 605 4.206 -0.448 9.908 1.00 0.00 H new ATOM 0 HB ILE B 605 6.996 -0.361 8.633 1.00 0.00 H new ATOM 0 HG12 ILE B 605 4.633 -2.159 7.933 1.00 0.00 H new ATOM 0 HG13 ILE B 605 4.870 -0.608 7.151 1.00 0.00 H new ATOM 0 HG21 ILE B 605 7.121 -2.752 9.293 1.00 0.00 H new ATOM 0 HG22 ILE B 605 6.938 -1.707 10.723 1.00 0.00 H new ATOM 0 HG23 ILE B 605 5.540 -2.613 10.097 1.00 0.00 H new ATOM 0 HD11 ILE B 605 5.917 -2.427 5.826 1.00 0.00 H new ATOM 0 HD12 ILE B 605 7.158 -1.304 6.434 1.00 0.00 H new ATOM 0 HD13 ILE B 605 6.917 -2.878 7.228 1.00 0.00 H new ATOM 1142 N THR B 606 6.807 1.345 10.887 1.00 0.00 N ATOM 1143 CA THR B 606 7.491 1.765 12.143 1.00 0.00 C ATOM 1144 C THR B 606 6.505 2.470 13.077 1.00 0.00 C ATOM 1145 O THR B 606 6.467 2.207 14.262 1.00 0.00 O ATOM 1146 CB THR B 606 8.650 2.718 11.824 1.00 0.00 C ATOM 1147 OG1 THR B 606 8.151 3.825 11.088 1.00 0.00 O ATOM 1148 CG2 THR B 606 9.741 2.003 10.997 1.00 0.00 C ATOM 0 H THR B 606 7.167 1.761 10.028 1.00 0.00 H new ATOM 0 HA THR B 606 7.879 0.872 12.634 1.00 0.00 H new ATOM 0 HB THR B 606 9.094 3.055 12.761 1.00 0.00 H new ATOM 0 HG1 THR B 606 8.886 4.439 10.882 1.00 0.00 H new ATOM 0 HG21 THR B 606 10.551 2.700 10.784 1.00 0.00 H new ATOM 0 HG22 THR B 606 10.130 1.156 11.563 1.00 0.00 H new ATOM 0 HG23 THR B 606 9.313 1.647 10.060 1.00 0.00 H new ATOM 1267 N ILE B 614 4.237 -9.594 11.421 1.00 0.00 N ATOM 1268 CA ILE B 614 3.640 -9.205 10.111 1.00 0.00 C ATOM 1269 C ILE B 614 4.056 -10.227 9.043 1.00 0.00 C ATOM 1270 O ILE B 614 3.994 -11.422 9.251 1.00 0.00 O ATOM 1271 CB ILE B 614 4.140 -7.804 9.709 1.00 0.00 C ATOM 1272 CG1 ILE B 614 4.230 -6.903 10.949 1.00 0.00 C ATOM 1273 CG2 ILE B 614 3.177 -7.176 8.694 1.00 0.00 C ATOM 1274 CD1 ILE B 614 2.895 -6.891 11.696 1.00 0.00 C ATOM 0 HA ILE B 614 2.553 -9.186 10.196 1.00 0.00 H new ATOM 0 HB ILE B 614 5.128 -7.900 9.259 1.00 0.00 H new ATOM 0 HG12 ILE B 614 5.020 -7.260 11.609 1.00 0.00 H new ATOM 0 HG13 ILE B 614 4.497 -5.889 10.651 1.00 0.00 H new ATOM 0 HG21 ILE B 614 3.537 -6.186 8.415 1.00 0.00 H new ATOM 0 HG22 ILE B 614 3.123 -7.806 7.806 1.00 0.00 H new ATOM 0 HG23 ILE B 614 2.186 -7.089 9.139 1.00 0.00 H new ATOM 0 HD11 ILE B 614 2.974 -6.248 12.573 1.00 0.00 H new ATOM 0 HD12 ILE B 614 2.113 -6.512 11.038 1.00 0.00 H new ATOM 0 HD13 ILE B 614 2.645 -7.904 12.011 1.00 0.00 H new ATOM 1286 N ASP B 615 4.479 -9.757 7.902 1.00 0.00 N ATOM 1287 CA ASP B 615 4.905 -10.664 6.807 1.00 0.00 C ATOM 1288 C ASP B 615 5.560 -9.801 5.734 1.00 0.00 C ATOM 1289 O ASP B 615 4.900 -9.240 4.882 1.00 0.00 O ATOM 1290 CB ASP B 615 3.688 -11.387 6.226 1.00 0.00 C ATOM 1291 CG ASP B 615 4.136 -12.306 5.089 1.00 0.00 C ATOM 1292 OD1 ASP B 615 4.543 -13.419 5.378 1.00 0.00 O ATOM 1293 OD2 ASP B 615 4.066 -11.880 3.947 1.00 0.00 O ATOM 0 H ASP B 615 4.547 -8.763 7.682 1.00 0.00 H new ATOM 0 HA ASP B 615 5.602 -11.416 7.176 1.00 0.00 H new ATOM 0 HB2 ASP B 615 3.191 -11.968 7.003 1.00 0.00 H new ATOM 0 HB3 ASP B 615 2.962 -10.662 5.857 1.00 0.00 H new ATOM 1298 N VAL B 616 6.853 -9.678 5.780 1.00 0.00 N ATOM 1299 CA VAL B 616 7.559 -8.837 4.776 1.00 0.00 C ATOM 1300 C VAL B 616 7.741 -9.623 3.479 1.00 0.00 C ATOM 1301 O VAL B 616 7.813 -9.058 2.407 1.00 0.00 O ATOM 1302 CB VAL B 616 8.926 -8.433 5.329 1.00 0.00 C ATOM 1303 CG1 VAL B 616 9.543 -7.360 4.430 1.00 0.00 C ATOM 1304 CG2 VAL B 616 8.754 -7.874 6.744 1.00 0.00 C ATOM 0 H VAL B 616 7.455 -10.125 6.472 1.00 0.00 H new ATOM 0 HA VAL B 616 6.969 -7.944 4.571 1.00 0.00 H new ATOM 0 HB VAL B 616 9.581 -9.304 5.356 1.00 0.00 H new ATOM 0 HG11 VAL B 616 10.518 -7.072 4.824 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.662 -7.755 3.421 1.00 0.00 H new ATOM 0 HG13 VAL B 616 8.890 -6.488 4.404 1.00 0.00 H new ATOM 0 HG21 VAL B 616 9.727 -7.585 7.142 1.00 0.00 H new ATOM 0 HG22 VAL B 616 8.101 -7.002 6.714 1.00 0.00 H new ATOM 0 HG23 VAL B 616 8.312 -8.637 7.385 1.00 0.00 H new ATOM 1314 N ASP B 617 7.845 -10.920 3.566 1.00 0.00 N ATOM 1315 CA ASP B 617 8.056 -11.739 2.335 1.00 0.00 C ATOM 1316 C ASP B 617 6.836 -11.665 1.411 1.00 0.00 C ATOM 1317 O ASP B 617 6.955 -11.356 0.242 1.00 0.00 O ATOM 1318 CB ASP B 617 8.295 -13.196 2.736 1.00 0.00 C ATOM 1319 CG ASP B 617 7.150 -13.673 3.630 1.00 0.00 C ATOM 1320 OD1 ASP B 617 7.219 -13.435 4.825 1.00 0.00 O ATOM 1321 OD2 ASP B 617 6.223 -14.269 3.106 1.00 0.00 O ATOM 0 H ASP B 617 7.793 -11.450 4.436 1.00 0.00 H new ATOM 0 HA ASP B 617 8.920 -11.345 1.800 1.00 0.00 H new ATOM 0 HB2 ASP B 617 8.362 -13.823 1.847 1.00 0.00 H new ATOM 0 HB3 ASP B 617 9.245 -13.288 3.263 1.00 0.00 H new ATOM 1326 N GLY B 618 5.668 -11.952 1.913 1.00 0.00 N ATOM 1327 CA GLY B 618 4.456 -11.902 1.043 1.00 0.00 C ATOM 1328 C GLY B 618 4.186 -10.459 0.626 1.00 0.00 C ATOM 1329 O GLY B 618 3.836 -10.185 -0.504 1.00 0.00 O ATOM 0 H GLY B 618 5.498 -12.218 2.883 1.00 0.00 H new ATOM 0 HA2 GLY B 618 4.603 -12.525 0.161 1.00 0.00 H new ATOM 0 HA3 GLY B 618 3.595 -12.304 1.577 1.00 0.00 H new ATOM 1333 N LEU B 619 4.358 -9.532 1.524 1.00 0.00 N ATOM 1334 CA LEU B 619 4.120 -8.111 1.162 1.00 0.00 C ATOM 1335 C LEU B 619 5.133 -7.726 0.072 1.00 0.00 C ATOM 1336 O LEU B 619 4.971 -6.749 -0.627 1.00 0.00 O ATOM 1337 CB LEU B 619 4.266 -7.224 2.422 1.00 0.00 C ATOM 1338 CG LEU B 619 4.666 -5.779 2.045 1.00 0.00 C ATOM 1339 CD1 LEU B 619 4.271 -4.826 3.184 1.00 0.00 C ATOM 1340 CD2 LEU B 619 6.194 -5.672 1.769 1.00 0.00 C ATOM 0 H LEU B 619 4.651 -9.696 2.487 1.00 0.00 H new ATOM 0 HA LEU B 619 3.111 -7.964 0.777 1.00 0.00 H new ATOM 0 HB2 LEU B 619 3.325 -7.212 2.972 1.00 0.00 H new ATOM 0 HB3 LEU B 619 5.018 -7.651 3.085 1.00 0.00 H new ATOM 0 HG LEU B 619 4.139 -5.501 1.132 1.00 0.00 H new ATOM 0 HD11 LEU B 619 4.552 -3.807 2.920 1.00 0.00 H new ATOM 0 HD12 LEU B 619 3.194 -4.875 3.343 1.00 0.00 H new ATOM 0 HD13 LEU B 619 4.786 -5.119 4.099 1.00 0.00 H new ATOM 0 HD21 LEU B 619 6.445 -4.644 1.506 1.00 0.00 H new ATOM 0 HD22 LEU B 619 6.746 -5.964 2.662 1.00 0.00 H new ATOM 0 HD23 LEU B 619 6.462 -6.333 0.945 1.00 0.00 H new ATOM 1352 N CYS B 620 6.182 -8.491 -0.070 1.00 0.00 N ATOM 1353 CA CYS B 620 7.211 -8.169 -1.102 1.00 0.00 C ATOM 1354 C CYS B 620 6.699 -8.502 -2.510 1.00 0.00 C ATOM 1355 O CYS B 620 6.806 -7.699 -3.415 1.00 0.00 O ATOM 1356 CB CYS B 620 8.478 -8.980 -0.823 1.00 0.00 C ATOM 1357 SG CYS B 620 9.860 -8.281 -1.759 1.00 0.00 S ATOM 0 H CYS B 620 6.371 -9.326 0.484 1.00 0.00 H new ATOM 0 HA CYS B 620 7.427 -7.102 -1.054 1.00 0.00 H new ATOM 0 HB2 CYS B 620 8.704 -8.967 0.243 1.00 0.00 H new ATOM 0 HB3 CYS B 620 8.325 -10.022 -1.104 1.00 0.00 H new ATOM 0 HG CYS B 620 10.937 -8.968 -1.521 1.00 0.00 H new ATOM 1363 N SER B 621 6.152 -9.675 -2.716 1.00 0.00 N ATOM 1364 CA SER B 621 5.655 -10.032 -4.085 1.00 0.00 C ATOM 1365 C SER B 621 4.253 -9.453 -4.299 1.00 0.00 C ATOM 1366 O SER B 621 3.684 -9.557 -5.367 1.00 0.00 O ATOM 1367 CB SER B 621 5.633 -11.550 -4.263 1.00 0.00 C ATOM 1368 OG SER B 621 5.344 -11.859 -5.621 1.00 0.00 O ATOM 0 H SER B 621 6.028 -10.395 -2.005 1.00 0.00 H new ATOM 0 HA SER B 621 6.331 -9.606 -4.827 1.00 0.00 H new ATOM 0 HB2 SER B 621 6.595 -11.975 -3.978 1.00 0.00 H new ATOM 0 HB3 SER B 621 4.882 -11.994 -3.609 1.00 0.00 H new ATOM 0 HG SER B 621 4.718 -11.197 -5.981 1.00 0.00 H new ATOM 1374 N GLU B 622 3.708 -8.819 -3.304 1.00 0.00 N ATOM 1375 CA GLU B 622 2.358 -8.196 -3.438 1.00 0.00 C ATOM 1376 C GLU B 622 2.502 -6.682 -3.642 1.00 0.00 C ATOM 1377 O GLU B 622 1.811 -6.098 -4.451 1.00 0.00 O ATOM 1378 CB GLU B 622 1.548 -8.464 -2.173 1.00 0.00 C ATOM 1379 CG GLU B 622 1.226 -9.957 -2.079 1.00 0.00 C ATOM 1380 CD GLU B 622 0.502 -10.243 -0.763 1.00 0.00 C ATOM 1381 OE1 GLU B 622 0.003 -9.303 -0.166 1.00 0.00 O ATOM 1382 OE2 GLU B 622 0.458 -11.399 -0.374 1.00 0.00 O ATOM 0 H GLU B 622 4.143 -8.702 -2.389 1.00 0.00 H new ATOM 0 HA GLU B 622 1.846 -8.627 -4.298 1.00 0.00 H new ATOM 0 HB2 GLU B 622 2.110 -8.146 -1.295 1.00 0.00 H new ATOM 0 HB3 GLU B 622 0.626 -7.883 -2.189 1.00 0.00 H new ATOM 0 HG2 GLU B 622 0.604 -10.259 -2.921 1.00 0.00 H new ATOM 0 HG3 GLU B 622 2.144 -10.542 -2.135 1.00 0.00 H new ATOM 1389 N LEU B 623 3.376 -6.032 -2.920 1.00 0.00 N ATOM 1390 CA LEU B 623 3.529 -4.550 -3.090 1.00 0.00 C ATOM 1391 C LEU B 623 4.520 -4.247 -4.230 1.00 0.00 C ATOM 1392 O LEU B 623 4.501 -3.176 -4.805 1.00 0.00 O ATOM 1393 CB LEU B 623 4.048 -3.942 -1.759 1.00 0.00 C ATOM 1394 CG LEU B 623 3.206 -2.721 -1.330 1.00 0.00 C ATOM 1395 CD1 LEU B 623 1.921 -3.196 -0.643 1.00 0.00 C ATOM 1396 CD2 LEU B 623 4.007 -1.858 -0.345 1.00 0.00 C ATOM 0 H LEU B 623 3.989 -6.456 -2.223 1.00 0.00 H new ATOM 0 HA LEU B 623 2.565 -4.109 -3.344 1.00 0.00 H new ATOM 0 HB2 LEU B 623 4.018 -4.699 -0.976 1.00 0.00 H new ATOM 0 HB3 LEU B 623 5.090 -3.644 -1.875 1.00 0.00 H new ATOM 0 HG LEU B 623 2.957 -2.134 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU B 623 1.329 -2.332 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU B 623 1.343 -3.808 -1.335 1.00 0.00 H new ATOM 0 HD13 LEU B 623 2.176 -3.786 0.237 1.00 0.00 H new ATOM 0 HD21 LEU B 623 3.409 -0.998 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU B 623 4.259 -2.449 0.535 1.00 0.00 H new ATOM 0 HD23 LEU B 623 4.923 -1.513 -0.825 1.00 0.00 H new ATOM 1408 N MET B 624 5.411 -5.156 -4.536 1.00 0.00 N ATOM 1409 CA MET B 624 6.416 -4.874 -5.605 1.00 0.00 C ATOM 1410 C MET B 624 5.805 -4.980 -7.009 1.00 0.00 C ATOM 1411 O MET B 624 6.292 -4.367 -7.930 1.00 0.00 O ATOM 1412 CB MET B 624 7.600 -5.847 -5.480 1.00 0.00 C ATOM 1413 CG MET B 624 7.207 -7.247 -5.968 1.00 0.00 C ATOM 1414 SD MET B 624 7.391 -7.339 -7.768 1.00 0.00 S ATOM 1415 CE MET B 624 9.122 -7.864 -7.794 1.00 0.00 C ATOM 0 H MET B 624 5.486 -6.073 -4.096 1.00 0.00 H new ATOM 0 HA MET B 624 6.762 -3.849 -5.469 1.00 0.00 H new ATOM 0 HB2 MET B 624 8.444 -5.477 -6.063 1.00 0.00 H new ATOM 0 HB3 MET B 624 7.927 -5.897 -4.442 1.00 0.00 H new ATOM 0 HG2 MET B 624 7.834 -7.999 -5.490 1.00 0.00 H new ATOM 0 HG3 MET B 624 6.177 -7.465 -5.686 1.00 0.00 H new ATOM 0 HE1 MET B 624 9.450 -7.984 -8.826 1.00 0.00 H new ATOM 0 HE2 MET B 624 9.738 -7.111 -7.303 1.00 0.00 H new ATOM 0 HE3 MET B 624 9.222 -8.814 -7.269 1.00 0.00 H new ATOM 1425 N ALA B 625 4.742 -5.729 -7.192 1.00 0.00 N ATOM 1426 CA ALA B 625 4.126 -5.834 -8.561 1.00 0.00 C ATOM 1427 C ALA B 625 2.878 -4.961 -8.611 1.00 0.00 C ATOM 1428 O ALA B 625 2.526 -4.446 -9.654 1.00 0.00 O ATOM 1429 CB ALA B 625 3.784 -7.287 -8.894 1.00 0.00 C ATOM 0 H ALA B 625 4.276 -6.268 -6.462 1.00 0.00 H new ATOM 0 HA ALA B 625 4.842 -5.487 -9.306 1.00 0.00 H new ATOM 0 HB1 ALA B 625 3.340 -7.338 -9.888 1.00 0.00 H new ATOM 0 HB2 ALA B 625 4.692 -7.889 -8.871 1.00 0.00 H new ATOM 0 HB3 ALA B 625 3.075 -7.671 -8.160 1.00 0.00 H new ATOM 1435 N LYS B 626 2.240 -4.718 -7.509 1.00 0.00 N ATOM 1436 CA LYS B 626 1.077 -3.801 -7.560 1.00 0.00 C ATOM 1437 C LYS B 626 1.659 -2.405 -7.778 1.00 0.00 C ATOM 1438 O LYS B 626 0.966 -1.438 -8.025 1.00 0.00 O ATOM 1439 CB LYS B 626 0.299 -3.862 -6.243 1.00 0.00 C ATOM 1440 CG LYS B 626 -0.503 -5.165 -6.193 1.00 0.00 C ATOM 1441 CD LYS B 626 -1.404 -5.167 -4.957 1.00 0.00 C ATOM 1442 CE LYS B 626 -2.324 -6.389 -4.999 1.00 0.00 C ATOM 1443 NZ LYS B 626 -3.132 -6.360 -6.253 1.00 0.00 N ATOM 0 H LYS B 626 2.466 -5.105 -6.592 1.00 0.00 H new ATOM 0 HA LYS B 626 0.382 -4.071 -8.355 1.00 0.00 H new ATOM 0 HB2 LYS B 626 0.986 -3.811 -5.398 1.00 0.00 H new ATOM 0 HB3 LYS B 626 -0.370 -3.005 -6.162 1.00 0.00 H new ATOM 0 HG2 LYS B 626 -1.106 -5.267 -7.095 1.00 0.00 H new ATOM 0 HG3 LYS B 626 0.174 -6.019 -6.163 1.00 0.00 H new ATOM 0 HD2 LYS B 626 -0.797 -5.186 -4.052 1.00 0.00 H new ATOM 0 HD3 LYS B 626 -1.997 -4.253 -4.924 1.00 0.00 H new ATOM 0 HE2 LYS B 626 -1.733 -7.304 -4.955 1.00 0.00 H new ATOM 0 HE3 LYS B 626 -2.982 -6.392 -4.130 1.00 0.00 H new ATOM 0 HZ1 LYS B 626 -3.996 -6.924 -6.123 1.00 0.00 H new ATOM 0 HZ2 LYS B 626 -3.391 -5.378 -6.477 1.00 0.00 H new ATOM 0 HZ3 LYS B 626 -2.574 -6.757 -7.035 1.00 0.00 H new ATOM 1457 N ALA B 627 2.962 -2.326 -7.674 1.00 0.00 N ATOM 1458 CA ALA B 627 3.699 -1.043 -7.850 1.00 0.00 C ATOM 1459 C ALA B 627 3.188 -0.265 -9.066 1.00 0.00 C ATOM 1460 O ALA B 627 3.026 -0.805 -10.143 1.00 0.00 O ATOM 1461 CB ALA B 627 5.185 -1.355 -8.049 1.00 0.00 C ATOM 0 H ALA B 627 3.561 -3.125 -7.468 1.00 0.00 H new ATOM 0 HA ALA B 627 3.543 -0.430 -6.962 1.00 0.00 H new ATOM 0 HB1 ALA B 627 5.738 -0.425 -8.179 1.00 0.00 H new ATOM 0 HB2 ALA B 627 5.566 -1.884 -7.175 1.00 0.00 H new ATOM 0 HB3 ALA B 627 5.310 -1.979 -8.934 1.00 0.00 H new ATOM 1467 N LYS B 628 2.971 1.015 -8.901 1.00 0.00 N ATOM 1468 CA LYS B 628 2.514 1.870 -10.036 1.00 0.00 C ATOM 1469 C LYS B 628 3.744 2.587 -10.593 1.00 0.00 C ATOM 1470 O LYS B 628 4.092 3.668 -10.163 1.00 0.00 O ATOM 1471 CB LYS B 628 1.507 2.907 -9.524 1.00 0.00 C ATOM 1472 CG LYS B 628 0.831 3.623 -10.711 1.00 0.00 C ATOM 1473 CD LYS B 628 -0.390 2.819 -11.201 1.00 0.00 C ATOM 1474 CE LYS B 628 -1.633 3.195 -10.383 1.00 0.00 C ATOM 1475 NZ LYS B 628 -1.900 4.655 -10.528 1.00 0.00 N ATOM 0 H LYS B 628 3.093 1.509 -8.017 1.00 0.00 H new ATOM 0 HA LYS B 628 2.035 1.266 -10.806 1.00 0.00 H new ATOM 0 HB2 LYS B 628 0.753 2.419 -8.907 1.00 0.00 H new ATOM 0 HB3 LYS B 628 2.014 3.635 -8.891 1.00 0.00 H new ATOM 0 HG2 LYS B 628 0.519 4.623 -10.410 1.00 0.00 H new ATOM 0 HG3 LYS B 628 1.545 3.744 -11.525 1.00 0.00 H new ATOM 0 HD2 LYS B 628 -0.567 3.019 -12.258 1.00 0.00 H new ATOM 0 HD3 LYS B 628 -0.193 1.751 -11.107 1.00 0.00 H new ATOM 0 HE2 LYS B 628 -2.494 2.621 -10.725 1.00 0.00 H new ATOM 0 HE3 LYS B 628 -1.480 2.945 -9.333 1.00 0.00 H new ATOM 0 HZ1 LYS B 628 -2.923 4.829 -10.459 1.00 0.00 H new ATOM 0 HZ2 LYS B 628 -1.409 5.174 -9.773 1.00 0.00 H new ATOM 0 HZ3 LYS B 628 -1.555 4.981 -11.453 1.00 0.00 H new ATOM 1489 N CYS B 629 4.427 1.968 -11.515 1.00 0.00 N ATOM 1490 CA CYS B 629 5.665 2.582 -12.075 1.00 0.00 C ATOM 1491 C CYS B 629 5.391 3.966 -12.671 1.00 0.00 C ATOM 1492 O CYS B 629 4.499 4.166 -13.471 1.00 0.00 O ATOM 1493 CB CYS B 629 6.259 1.667 -13.147 1.00 0.00 C ATOM 1494 SG CYS B 629 7.855 2.333 -13.686 1.00 0.00 S ATOM 0 H CYS B 629 4.181 1.059 -11.907 1.00 0.00 H new ATOM 0 HA CYS B 629 6.375 2.704 -11.257 1.00 0.00 H new ATOM 0 HB2 CYS B 629 6.387 0.660 -12.751 1.00 0.00 H new ATOM 0 HB3 CYS B 629 5.578 1.592 -13.995 1.00 0.00 H new ATOM 1499 N SER B 630 6.204 4.907 -12.278 1.00 0.00 N ATOM 1500 CA SER B 630 6.099 6.309 -12.781 1.00 0.00 C ATOM 1501 C SER B 630 7.523 6.845 -12.947 1.00 0.00 C ATOM 1502 O SER B 630 8.457 6.289 -12.405 1.00 0.00 O ATOM 1503 CB SER B 630 5.332 7.165 -11.766 1.00 0.00 C ATOM 1504 OG SER B 630 4.843 8.332 -12.414 1.00 0.00 O ATOM 0 H SER B 630 6.960 4.759 -11.609 1.00 0.00 H new ATOM 0 HA SER B 630 5.565 6.342 -13.731 1.00 0.00 H new ATOM 0 HB2 SER B 630 4.504 6.595 -11.343 1.00 0.00 H new ATOM 0 HB3 SER B 630 5.985 7.441 -10.938 1.00 0.00 H new ATOM 0 HG SER B 630 4.350 8.882 -11.770 1.00 0.00 H new ATOM 1510 N GLU B 631 7.724 7.906 -13.683 1.00 0.00 N ATOM 1511 CA GLU B 631 9.115 8.416 -13.842 1.00 0.00 C ATOM 1512 C GLU B 631 9.620 8.931 -12.493 1.00 0.00 C ATOM 1513 O GLU B 631 10.805 8.927 -12.224 1.00 0.00 O ATOM 1514 CB GLU B 631 9.144 9.543 -14.878 1.00 0.00 C ATOM 1515 CG GLU B 631 10.594 9.856 -15.252 1.00 0.00 C ATOM 1516 CD GLU B 631 11.139 8.745 -16.152 1.00 0.00 C ATOM 1517 OE1 GLU B 631 10.515 8.470 -17.164 1.00 0.00 O ATOM 1518 OE2 GLU B 631 12.170 8.188 -15.814 1.00 0.00 O ATOM 0 H GLU B 631 7.000 8.432 -14.172 1.00 0.00 H new ATOM 0 HA GLU B 631 9.761 7.609 -14.187 1.00 0.00 H new ATOM 0 HB2 GLU B 631 8.584 9.250 -15.766 1.00 0.00 H new ATOM 0 HB3 GLU B 631 8.661 10.433 -14.476 1.00 0.00 H new ATOM 0 HG2 GLU B 631 10.649 10.815 -15.766 1.00 0.00 H new ATOM 0 HG3 GLU B 631 11.203 9.941 -14.352 1.00 0.00 H new ATOM 1525 N ARG B 632 8.735 9.350 -11.632 1.00 0.00 N ATOM 1526 CA ARG B 632 9.180 9.836 -10.296 1.00 0.00 C ATOM 1527 C ARG B 632 9.498 8.618 -9.425 1.00 0.00 C ATOM 1528 O ARG B 632 10.143 8.714 -8.400 1.00 0.00 O ATOM 1529 CB ARG B 632 8.052 10.647 -9.655 1.00 0.00 C ATOM 1530 CG ARG B 632 8.571 11.350 -8.401 1.00 0.00 C ATOM 1531 CD ARG B 632 7.475 12.257 -7.839 1.00 0.00 C ATOM 1532 NE ARG B 632 7.894 12.779 -6.508 1.00 0.00 N ATOM 1533 CZ ARG B 632 7.268 13.793 -5.977 1.00 0.00 C ATOM 1534 NH1 ARG B 632 6.271 14.349 -6.610 1.00 0.00 N ATOM 1535 NH2 ARG B 632 7.638 14.250 -4.812 1.00 0.00 N ATOM 0 H ARG B 632 7.728 9.377 -11.794 1.00 0.00 H new ATOM 0 HA ARG B 632 10.063 10.467 -10.393 1.00 0.00 H new ATOM 0 HB2 ARG B 632 7.671 11.382 -10.364 1.00 0.00 H new ATOM 0 HB3 ARG B 632 7.220 9.991 -9.398 1.00 0.00 H new ATOM 0 HG2 ARG B 632 8.868 10.614 -7.654 1.00 0.00 H new ATOM 0 HG3 ARG B 632 9.458 11.937 -8.640 1.00 0.00 H new ATOM 0 HD2 ARG B 632 7.287 13.085 -8.523 1.00 0.00 H new ATOM 0 HD3 ARG B 632 6.541 11.702 -7.746 1.00 0.00 H new ATOM 0 HE ARG B 632 8.671 12.343 -6.011 1.00 0.00 H new ATOM 0 HH11 ARG B 632 5.981 13.991 -7.520 1.00 0.00 H new ATOM 0 HH12 ARG B 632 5.782 15.142 -6.195 1.00 0.00 H new ATOM 0 HH21 ARG B 632 8.416 13.814 -4.317 1.00 0.00 H new ATOM 0 HH22 ARG B 632 7.149 15.043 -4.396 1.00 0.00 H new ATOM 1549 N GLY B 633 9.031 7.469 -9.842 1.00 0.00 N ATOM 1550 CA GLY B 633 9.269 6.207 -9.073 1.00 0.00 C ATOM 1551 C GLY B 633 7.944 5.457 -8.947 1.00 0.00 C ATOM 1552 O GLY B 633 6.937 5.875 -9.483 1.00 0.00 O ATOM 0 H GLY B 633 8.486 7.349 -10.696 1.00 0.00 H new ATOM 0 HA2 GLY B 633 10.008 5.587 -9.582 1.00 0.00 H new ATOM 0 HA3 GLY B 633 9.670 6.435 -8.086 1.00 0.00 H new ATOM 1556 N VAL B 634 7.919 4.359 -8.244 1.00 0.00 N ATOM 1557 CA VAL B 634 6.654 3.595 -8.085 1.00 0.00 C ATOM 1558 C VAL B 634 5.771 4.268 -7.036 1.00 0.00 C ATOM 1559 O VAL B 634 6.253 5.019 -6.211 1.00 0.00 O ATOM 1560 CB VAL B 634 7.005 2.196 -7.573 1.00 0.00 C ATOM 1561 CG1 VAL B 634 7.920 1.499 -8.581 1.00 0.00 C ATOM 1562 CG2 VAL B 634 7.724 2.308 -6.226 1.00 0.00 C ATOM 0 H VAL B 634 8.728 3.957 -7.770 1.00 0.00 H new ATOM 0 HA VAL B 634 6.130 3.553 -9.040 1.00 0.00 H new ATOM 0 HB VAL B 634 6.090 1.616 -7.449 1.00 0.00 H new ATOM 0 HG11 VAL B 634 8.170 0.503 -8.217 1.00 0.00 H new ATOM 0 HG12 VAL B 634 7.409 1.417 -9.540 1.00 0.00 H new ATOM 0 HG13 VAL B 634 8.834 2.080 -8.705 1.00 0.00 H new ATOM 0 HG21 VAL B 634 7.973 1.311 -5.863 1.00 0.00 H new ATOM 0 HG22 VAL B 634 8.638 2.889 -6.349 1.00 0.00 H new ATOM 0 HG23 VAL B 634 7.073 2.804 -5.506 1.00 0.00 H new ATOM 1572 N VAL B 635 4.496 3.972 -7.016 1.00 0.00 N ATOM 1573 CA VAL B 635 3.610 4.563 -5.961 1.00 0.00 C ATOM 1574 C VAL B 635 2.584 3.504 -5.552 1.00 0.00 C ATOM 1575 O VAL B 635 2.007 2.828 -6.380 1.00 0.00 O ATOM 1576 CB VAL B 635 2.914 5.826 -6.473 1.00 0.00 C ATOM 1577 CG1 VAL B 635 2.432 6.664 -5.285 1.00 0.00 C ATOM 1578 CG2 VAL B 635 3.899 6.647 -7.307 1.00 0.00 C ATOM 0 H VAL B 635 4.031 3.351 -7.678 1.00 0.00 H new ATOM 0 HA VAL B 635 4.208 4.855 -5.098 1.00 0.00 H new ATOM 0 HB VAL B 635 2.060 5.544 -7.089 1.00 0.00 H new ATOM 0 HG11 VAL B 635 1.937 7.563 -5.651 1.00 0.00 H new ATOM 0 HG12 VAL B 635 1.731 6.080 -4.689 1.00 0.00 H new ATOM 0 HG13 VAL B 635 3.285 6.946 -4.668 1.00 0.00 H new ATOM 0 HG21 VAL B 635 3.404 7.547 -7.672 1.00 0.00 H new ATOM 0 HG22 VAL B 635 4.753 6.927 -6.690 1.00 0.00 H new ATOM 0 HG23 VAL B 635 4.243 6.053 -8.154 1.00 0.00 H new ATOM 1588 N ILE B 636 2.385 3.337 -4.266 1.00 0.00 N ATOM 1589 CA ILE B 636 1.429 2.301 -3.759 1.00 0.00 C ATOM 1590 C ILE B 636 0.196 2.971 -3.144 1.00 0.00 C ATOM 1591 O ILE B 636 0.308 3.922 -2.400 1.00 0.00 O ATOM 1592 CB ILE B 636 2.121 1.480 -2.659 1.00 0.00 C ATOM 1593 CG1 ILE B 636 3.549 1.102 -3.088 1.00 0.00 C ATOM 1594 CG2 ILE B 636 1.308 0.218 -2.372 1.00 0.00 C ATOM 1595 CD1 ILE B 636 3.534 0.349 -4.419 1.00 0.00 C ATOM 0 H ILE B 636 2.849 3.880 -3.538 1.00 0.00 H new ATOM 0 HA ILE B 636 1.126 1.665 -4.591 1.00 0.00 H new ATOM 0 HB ILE B 636 2.181 2.083 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE B 636 4.156 2.002 -3.181 1.00 0.00 H new ATOM 0 HG13 ILE B 636 4.013 0.483 -2.320 1.00 0.00 H new ATOM 0 HG21 ILE B 636 1.800 -0.362 -1.592 1.00 0.00 H new ATOM 0 HG22 ILE B 636 0.308 0.497 -2.040 1.00 0.00 H new ATOM 0 HG23 ILE B 636 1.235 -0.382 -3.279 1.00 0.00 H new ATOM 0 HD11 ILE B 636 4.554 0.092 -4.703 1.00 0.00 H new ATOM 0 HD12 ILE B 636 2.946 -0.563 -4.315 1.00 0.00 H new ATOM 0 HD13 ILE B 636 3.091 0.980 -5.189 1.00 0.00 H new ATOM 1607 N ASN B 637 -0.981 2.468 -3.422 1.00 0.00 N ATOM 1608 CA ASN B 637 -2.209 3.064 -2.815 1.00 0.00 C ATOM 1609 C ASN B 637 -2.469 2.365 -1.476 1.00 0.00 C ATOM 1610 O ASN B 637 -2.390 1.157 -1.367 1.00 0.00 O ATOM 1611 CB ASN B 637 -3.405 2.867 -3.749 1.00 0.00 C ATOM 1612 CG ASN B 637 -4.625 3.587 -3.171 1.00 0.00 C ATOM 1613 OD1 ASN B 637 -4.940 3.435 -2.007 1.00 0.00 O ATOM 1614 ND2 ASN B 637 -5.330 4.372 -3.939 1.00 0.00 N ATOM 0 H ASN B 637 -1.144 1.674 -4.041 1.00 0.00 H new ATOM 0 HA ASN B 637 -2.069 4.134 -2.659 1.00 0.00 H new ATOM 0 HB2 ASN B 637 -3.174 3.257 -4.740 1.00 0.00 H new ATOM 0 HB3 ASN B 637 -3.618 1.804 -3.866 1.00 0.00 H new ATOM 0 HD21 ASN B 637 -6.144 4.857 -3.562 1.00 0.00 H new ATOM 0 HD22 ASN B 637 -5.067 4.500 -4.916 1.00 0.00 H new ATOM 1621 N ALA B 638 -2.747 3.125 -0.452 1.00 0.00 N ATOM 1622 CA ALA B 638 -2.979 2.528 0.896 1.00 0.00 C ATOM 1623 C ALA B 638 -3.919 1.318 0.810 1.00 0.00 C ATOM 1624 O ALA B 638 -4.064 0.571 1.757 1.00 0.00 O ATOM 1625 CB ALA B 638 -3.597 3.580 1.816 1.00 0.00 C ATOM 0 H ALA B 638 -2.824 4.141 -0.491 1.00 0.00 H new ATOM 0 HA ALA B 638 -2.020 2.194 1.293 1.00 0.00 H new ATOM 0 HB1 ALA B 638 -3.768 3.147 2.801 1.00 0.00 H new ATOM 0 HB2 ALA B 638 -2.919 4.429 1.905 1.00 0.00 H new ATOM 0 HB3 ALA B 638 -4.546 3.916 1.398 1.00 0.00 H new ATOM 1631 N GLU B 639 -4.571 1.124 -0.303 1.00 0.00 N ATOM 1632 CA GLU B 639 -5.512 -0.027 -0.428 1.00 0.00 C ATOM 1633 C GLU B 639 -4.757 -1.318 -0.769 1.00 0.00 C ATOM 1634 O GLU B 639 -5.239 -2.402 -0.505 1.00 0.00 O ATOM 1635 CB GLU B 639 -6.536 0.280 -1.522 1.00 0.00 C ATOM 1636 CG GLU B 639 -7.705 -0.698 -1.425 1.00 0.00 C ATOM 1637 CD GLU B 639 -8.559 -0.357 -0.203 1.00 0.00 C ATOM 1638 OE1 GLU B 639 -8.888 0.806 -0.040 1.00 0.00 O ATOM 1639 OE2 GLU B 639 -8.870 -1.265 0.551 1.00 0.00 O ATOM 0 H GLU B 639 -4.493 1.713 -1.132 1.00 0.00 H new ATOM 0 HA GLU B 639 -6.019 -0.173 0.526 1.00 0.00 H new ATOM 0 HB2 GLU B 639 -6.897 1.303 -1.419 1.00 0.00 H new ATOM 0 HB3 GLU B 639 -6.067 0.205 -2.503 1.00 0.00 H new ATOM 0 HG2 GLU B 639 -8.311 -0.648 -2.330 1.00 0.00 H new ATOM 0 HG3 GLU B 639 -7.332 -1.719 -1.347 1.00 0.00 H new ATOM 1646 N ASP B 640 -3.570 -1.237 -1.313 1.00 0.00 N ATOM 1647 CA ASP B 640 -2.815 -2.496 -1.613 1.00 0.00 C ATOM 1648 C ASP B 640 -2.027 -2.907 -0.365 1.00 0.00 C ATOM 1649 O ASP B 640 -2.056 -4.053 0.037 1.00 0.00 O ATOM 1650 CB ASP B 640 -1.872 -2.285 -2.799 1.00 0.00 C ATOM 1651 CG ASP B 640 -2.688 -1.921 -4.041 1.00 0.00 C ATOM 1652 OD1 ASP B 640 -3.886 -1.737 -3.905 1.00 0.00 O ATOM 1653 OD2 ASP B 640 -2.100 -1.830 -5.106 1.00 0.00 O ATOM 0 H ASP B 640 -3.095 -0.369 -1.560 1.00 0.00 H new ATOM 0 HA ASP B 640 -3.514 -3.288 -1.880 1.00 0.00 H new ATOM 0 HB2 ASP B 640 -1.159 -1.492 -2.574 1.00 0.00 H new ATOM 0 HB3 ASP B 640 -1.294 -3.190 -2.983 1.00 0.00 H new ATOM 1658 N VAL B 641 -1.354 -1.996 0.272 1.00 0.00 N ATOM 1659 CA VAL B 641 -0.614 -2.368 1.509 1.00 0.00 C ATOM 1660 C VAL B 641 -1.635 -2.805 2.567 1.00 0.00 C ATOM 1661 O VAL B 641 -1.526 -3.869 3.144 1.00 0.00 O ATOM 1662 CB VAL B 641 0.189 -1.157 2.005 1.00 0.00 C ATOM 1663 CG1 VAL B 641 -0.761 -0.017 2.376 1.00 0.00 C ATOM 1664 CG2 VAL B 641 1.016 -1.559 3.229 1.00 0.00 C ATOM 0 H VAL B 641 -1.283 -1.017 -0.005 1.00 0.00 H new ATOM 0 HA VAL B 641 0.080 -3.185 1.312 1.00 0.00 H new ATOM 0 HB VAL B 641 0.856 -0.819 1.211 1.00 0.00 H new ATOM 0 HG11 VAL B 641 -0.183 0.838 2.727 1.00 0.00 H new ATOM 0 HG12 VAL B 641 -1.342 0.272 1.500 1.00 0.00 H new ATOM 0 HG13 VAL B 641 -1.436 -0.348 3.166 1.00 0.00 H new ATOM 0 HG21 VAL B 641 1.586 -0.699 3.581 1.00 0.00 H new ATOM 0 HG22 VAL B 641 0.350 -1.902 4.021 1.00 0.00 H new ATOM 0 HG23 VAL B 641 1.701 -2.362 2.957 1.00 0.00 H new ATOM 1674 N GLN B 642 -2.631 -1.999 2.820 1.00 0.00 N ATOM 1675 CA GLN B 642 -3.657 -2.375 3.834 1.00 0.00 C ATOM 1676 C GLN B 642 -4.239 -3.744 3.471 1.00 0.00 C ATOM 1677 O GLN B 642 -4.576 -4.532 4.330 1.00 0.00 O ATOM 1678 CB GLN B 642 -4.773 -1.324 3.843 1.00 0.00 C ATOM 1679 CG GLN B 642 -5.738 -1.596 5.003 1.00 0.00 C ATOM 1680 CD GLN B 642 -6.667 -2.755 4.638 1.00 0.00 C ATOM 1681 OE1 GLN B 642 -7.276 -2.754 3.586 1.00 0.00 O ATOM 1682 NE2 GLN B 642 -6.804 -3.754 5.468 1.00 0.00 N ATOM 0 H GLN B 642 -2.778 -1.096 2.368 1.00 0.00 H new ATOM 0 HA GLN B 642 -3.201 -2.422 4.823 1.00 0.00 H new ATOM 0 HB2 GLN B 642 -4.344 -0.327 3.942 1.00 0.00 H new ATOM 0 HB3 GLN B 642 -5.313 -1.347 2.896 1.00 0.00 H new ATOM 0 HG2 GLN B 642 -5.178 -1.837 5.906 1.00 0.00 H new ATOM 0 HG3 GLN B 642 -6.323 -0.702 5.220 1.00 0.00 H new ATOM 0 HE21 GLN B 642 -6.294 -3.757 6.351 1.00 0.00 H new ATOM 0 HE22 GLN B 642 -7.421 -4.531 5.233 1.00 0.00 H new ATOM 1691 N LEU B 643 -4.348 -4.035 2.203 1.00 0.00 N ATOM 1692 CA LEU B 643 -4.895 -5.358 1.782 1.00 0.00 C ATOM 1693 C LEU B 643 -3.767 -6.394 1.789 1.00 0.00 C ATOM 1694 O LEU B 643 -4.003 -7.569 1.971 1.00 0.00 O ATOM 1695 CB LEU B 643 -5.491 -5.239 0.374 1.00 0.00 C ATOM 1696 CG LEU B 643 -6.129 -6.571 -0.056 1.00 0.00 C ATOM 1697 CD1 LEU B 643 -7.332 -6.905 0.844 1.00 0.00 C ATOM 1698 CD2 LEU B 643 -6.591 -6.450 -1.513 1.00 0.00 C ATOM 0 H LEU B 643 -4.082 -3.414 1.439 1.00 0.00 H new ATOM 0 HA LEU B 643 -5.677 -5.673 2.473 1.00 0.00 H new ATOM 0 HB2 LEU B 643 -6.240 -4.448 0.356 1.00 0.00 H new ATOM 0 HB3 LEU B 643 -4.712 -4.957 -0.334 1.00 0.00 H new ATOM 0 HG LEU B 643 -5.395 -7.371 0.038 1.00 0.00 H new ATOM 0 HD11 LEU B 643 -7.772 -7.850 0.527 1.00 0.00 H new ATOM 0 HD12 LEU B 643 -7.000 -6.988 1.879 1.00 0.00 H new ATOM 0 HD13 LEU B 643 -8.077 -6.113 0.765 1.00 0.00 H new ATOM 0 HD21 LEU B 643 -7.045 -7.389 -1.830 1.00 0.00 H new ATOM 0 HD22 LEU B 643 -7.322 -5.646 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU B 643 -5.734 -6.229 -2.149 1.00 0.00 H new ATOM 1710 N ALA B 644 -2.542 -5.977 1.614 1.00 0.00 N ATOM 1711 CA ALA B 644 -1.414 -6.957 1.637 1.00 0.00 C ATOM 1712 C ALA B 644 -0.940 -7.152 3.079 1.00 0.00 C ATOM 1713 O ALA B 644 -0.474 -8.212 3.447 1.00 0.00 O ATOM 1714 CB ALA B 644 -0.260 -6.446 0.776 1.00 0.00 C ATOM 0 H ALA B 644 -2.273 -5.006 1.457 1.00 0.00 H new ATOM 0 HA ALA B 644 -1.757 -7.911 1.235 1.00 0.00 H new ATOM 0 HB1 ALA B 644 0.558 -7.166 0.799 1.00 0.00 H new ATOM 0 HB2 ALA B 644 -0.602 -6.317 -0.251 1.00 0.00 H new ATOM 0 HB3 ALA B 644 0.089 -5.489 1.165 1.00 0.00 H new ATOM 1720 N LEU B 645 -1.061 -6.151 3.907 1.00 0.00 N ATOM 1721 CA LEU B 645 -0.622 -6.305 5.328 1.00 0.00 C ATOM 1722 C LEU B 645 -1.771 -6.881 6.164 1.00 0.00 C ATOM 1723 O LEU B 645 -1.550 -7.452 7.212 1.00 0.00 O ATOM 1724 CB LEU B 645 -0.215 -4.938 5.908 1.00 0.00 C ATOM 1725 CG LEU B 645 1.161 -4.482 5.374 1.00 0.00 C ATOM 1726 CD1 LEU B 645 1.524 -3.122 6.012 1.00 0.00 C ATOM 1727 CD2 LEU B 645 2.251 -5.525 5.726 1.00 0.00 C ATOM 0 H LEU B 645 -1.443 -5.236 3.665 1.00 0.00 H new ATOM 0 HA LEU B 645 0.233 -6.980 5.359 1.00 0.00 H new ATOM 0 HB2 LEU B 645 -0.970 -4.194 5.653 1.00 0.00 H new ATOM 0 HB3 LEU B 645 -0.182 -4.999 6.996 1.00 0.00 H new ATOM 0 HG LEU B 645 1.108 -4.385 4.290 1.00 0.00 H new ATOM 0 HD11 LEU B 645 2.494 -2.793 5.640 1.00 0.00 H new ATOM 0 HD12 LEU B 645 0.766 -2.384 5.751 1.00 0.00 H new ATOM 0 HD13 LEU B 645 1.568 -3.229 7.096 1.00 0.00 H new ATOM 0 HD21 LEU B 645 3.214 -5.188 5.343 1.00 0.00 H new ATOM 0 HD22 LEU B 645 2.311 -5.638 6.809 1.00 0.00 H new ATOM 0 HD23 LEU B 645 1.996 -6.484 5.275 1.00 0.00 H new ATOM 1739 N ASN B 646 -2.995 -6.734 5.727 1.00 0.00 N ATOM 1740 CA ASN B 646 -4.142 -7.275 6.524 1.00 0.00 C ATOM 1741 C ASN B 646 -4.473 -8.705 6.080 1.00 0.00 C ATOM 1742 O ASN B 646 -5.230 -9.399 6.729 1.00 0.00 O ATOM 1743 CB ASN B 646 -5.370 -6.384 6.325 1.00 0.00 C ATOM 1744 CG ASN B 646 -6.528 -6.912 7.173 1.00 0.00 C ATOM 1745 OD1 ASN B 646 -6.575 -6.687 8.366 1.00 0.00 O ATOM 1746 ND2 ASN B 646 -7.471 -7.610 6.603 1.00 0.00 N ATOM 0 H ASN B 646 -3.251 -6.266 4.858 1.00 0.00 H new ATOM 0 HA ASN B 646 -3.862 -7.287 7.577 1.00 0.00 H new ATOM 0 HB2 ASN B 646 -5.137 -5.357 6.608 1.00 0.00 H new ATOM 0 HB3 ASN B 646 -5.654 -6.368 5.273 1.00 0.00 H new ATOM 0 HD21 ASN B 646 -8.248 -7.967 7.159 1.00 0.00 H new ATOM 0 HD22 ASN B 646 -7.431 -7.799 5.601 1.00 0.00 H new ATOM 1753 N LYS B 647 -3.919 -9.156 4.986 1.00 0.00 N ATOM 1754 CA LYS B 647 -4.213 -10.548 4.515 1.00 0.00 C ATOM 1755 C LYS B 647 -3.146 -11.507 5.056 1.00 0.00 C ATOM 1756 O LYS B 647 -3.256 -12.710 4.920 1.00 0.00 O ATOM 1757 CB LYS B 647 -4.207 -10.577 2.981 1.00 0.00 C ATOM 1758 CG LYS B 647 -4.941 -11.823 2.475 1.00 0.00 C ATOM 1759 CD LYS B 647 -4.662 -12.013 0.982 1.00 0.00 C ATOM 1760 CE LYS B 647 -5.242 -10.837 0.190 1.00 0.00 C ATOM 1761 NZ LYS B 647 -5.357 -11.215 -1.247 1.00 0.00 N ATOM 0 H LYS B 647 -3.277 -8.625 4.397 1.00 0.00 H new ATOM 0 HA LYS B 647 -5.192 -10.859 4.879 1.00 0.00 H new ATOM 0 HB2 LYS B 647 -4.687 -9.679 2.591 1.00 0.00 H new ATOM 0 HB3 LYS B 647 -3.181 -10.576 2.614 1.00 0.00 H new ATOM 0 HG2 LYS B 647 -4.613 -12.701 3.031 1.00 0.00 H new ATOM 0 HG3 LYS B 647 -6.013 -11.720 2.645 1.00 0.00 H new ATOM 0 HD2 LYS B 647 -3.588 -12.084 0.810 1.00 0.00 H new ATOM 0 HD3 LYS B 647 -5.103 -12.948 0.637 1.00 0.00 H new ATOM 0 HE2 LYS B 647 -6.221 -10.566 0.585 1.00 0.00 H new ATOM 0 HE3 LYS B 647 -4.602 -9.962 0.297 1.00 0.00 H new ATOM 0 HZ1 LYS B 647 -5.751 -10.417 -1.785 1.00 0.00 H new ATOM 0 HZ2 LYS B 647 -4.416 -11.453 -1.620 1.00 0.00 H new ATOM 0 HZ3 LYS B 647 -5.985 -12.039 -1.340 1.00 0.00 H new ATOM 1775 N HIS B 648 -2.112 -10.983 5.668 1.00 0.00 N ATOM 1776 CA HIS B 648 -1.023 -11.854 6.222 1.00 0.00 C ATOM 1777 C HIS B 648 -1.025 -11.782 7.751 1.00 0.00 C ATOM 1778 O HIS B 648 -0.061 -12.145 8.397 1.00 0.00 O ATOM 1779 CB HIS B 648 0.327 -11.365 5.696 1.00 0.00 C ATOM 1780 CG HIS B 648 0.287 -11.313 4.195 1.00 0.00 C ATOM 1781 ND1 HIS B 648 -0.570 -12.109 3.451 1.00 0.00 N ATOM 1782 CD2 HIS B 648 0.992 -10.567 3.283 1.00 0.00 C ATOM 1783 CE1 HIS B 648 -0.361 -11.825 2.152 1.00 0.00 C ATOM 1784 NE2 HIS B 648 0.581 -10.892 1.994 1.00 0.00 N ATOM 0 H HIS B 648 -1.973 -9.982 5.809 1.00 0.00 H new ATOM 0 HA HIS B 648 -1.193 -12.885 5.911 1.00 0.00 H new ATOM 0 HB2 HIS B 648 0.551 -10.378 6.099 1.00 0.00 H new ATOM 0 HB3 HIS B 648 1.122 -12.033 6.027 1.00 0.00 H new ATOM 0 HD1 HIS B 648 -1.237 -12.786 3.820 1.00 0.00 H new ATOM 0 HD2 HIS B 648 1.750 -9.839 3.529 1.00 0.00 H new ATOM 0 HE1 HIS B 648 -0.891 -12.295 1.337 1.00 0.00 H new ATOM 1792 N MET B 649 -2.099 -11.323 8.340 1.00 0.00 N ATOM 1793 CA MET B 649 -2.164 -11.236 9.833 1.00 0.00 C ATOM 1794 C MET B 649 -2.890 -12.470 10.379 1.00 0.00 C ATOM 1795 O MET B 649 -4.102 -12.544 10.367 1.00 0.00 O ATOM 1796 CB MET B 649 -2.933 -9.969 10.234 1.00 0.00 C ATOM 1797 CG MET B 649 -2.002 -8.756 10.160 1.00 0.00 C ATOM 1798 SD MET B 649 -2.952 -7.242 10.444 1.00 0.00 S ATOM 1799 CE MET B 649 -1.630 -6.289 11.231 1.00 0.00 C ATOM 0 H MET B 649 -2.936 -11.004 7.852 1.00 0.00 H new ATOM 0 HA MET B 649 -1.155 -11.195 10.244 1.00 0.00 H new ATOM 0 HB2 MET B 649 -3.787 -9.825 9.572 1.00 0.00 H new ATOM 0 HB3 MET B 649 -3.328 -10.076 11.244 1.00 0.00 H new ATOM 0 HG2 MET B 649 -1.211 -8.846 10.905 1.00 0.00 H new ATOM 0 HG3 MET B 649 -1.518 -8.716 9.184 1.00 0.00 H new ATOM 0 HE1 MET B 649 -2.003 -5.299 11.495 1.00 0.00 H new ATOM 0 HE2 MET B 649 -1.297 -6.804 12.132 1.00 0.00 H new ATOM 0 HE3 MET B 649 -0.793 -6.189 10.540 1.00 0.00 H new ATOM 1809 N ASN B 650 -2.157 -13.439 10.856 1.00 0.00 N ATOM 1810 CA ASN B 650 -2.808 -14.664 11.400 1.00 0.00 C ATOM 1811 C ASN B 650 -3.636 -14.296 12.633 1.00 0.00 C ATOM 1812 O ASN B 650 -3.758 -13.113 12.910 1.00 0.00 O ATOM 1813 CB ASN B 650 -1.735 -15.680 11.793 1.00 0.00 C ATOM 1814 CG ASN B 650 -0.779 -15.049 12.806 1.00 0.00 C ATOM 1815 OD1 ASN B 650 0.292 -14.598 12.450 1.00 0.00 O ATOM 1816 ND2 ASN B 650 -1.123 -14.997 14.064 1.00 0.00 N ATOM 1817 OXT ASN B 650 -4.136 -15.203 13.280 1.00 0.00 O ATOM 0 H ASN B 650 -1.138 -13.435 10.892 1.00 0.00 H new ATOM 0 HA ASN B 650 -3.458 -15.097 10.640 1.00 0.00 H new ATOM 0 HB2 ASN B 650 -2.200 -16.568 12.221 1.00 0.00 H new ATOM 0 HB3 ASN B 650 -1.184 -16.003 10.910 1.00 0.00 H new ATOM 0 HD21 ASN B 650 -0.493 -14.578 14.748 1.00 0.00 H new ATOM 0 HD22 ASN B 650 -2.022 -15.375 14.363 1.00 0.00 H new