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 Set 1.1: B 647 LYS NZ :NH3+ -170:sc= -0.143 (180deg=-0.497) USER MOD Set 1.2: B 648 HIS : no HE2:sc= -6.54! C(o=-6.7!,f=-15!) USER MOD Set 2.1: B 642 GLN : amide:sc= -4.84! C(o=-8.6!,f=-9.6!) USER MOD Set 2.2: B 646 ASN : amide:sc= -3.78 K(o=-8.6,f=-7.7) USER MOD Single : A 304 SER OG : rot 180:sc= 0 USER MOD Single : A 305 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 306 MET CE :methyl -126:sc= -0.416 (180deg=-4.77!) USER MOD Single : A 307 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 308 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.037) USER MOD Single : B 594 SER OG : rot 180:sc= 0 USER MOD Single : B 599 SER OG : rot 180:sc= 0.00229 USER MOD Single : B 606 THR OG1 : rot 3:sc= 0.595 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+ 135:sc= 0.503 (180deg=-1.17!) USER MOD Single : B 628 LYS NZ :NH3+ 146:sc= -0.169 (180deg=-0.966) USER MOD Single : B 630 SER OG : rot 180:sc= 0 USER MOD Single : B 637 ASN : amide:sc= -3.1 K(o=-3.1,f=-0.93) USER MOD Single : B 649 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 650 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 338 N GLU A 301 17.844 -2.769 -0.794 1.00 0.00 N ATOM 339 CA GLU A 301 17.602 -3.923 -1.713 1.00 0.00 C ATOM 340 C GLU A 301 16.094 -4.079 -1.836 1.00 0.00 C ATOM 341 O GLU A 301 15.558 -4.579 -2.810 1.00 0.00 O ATOM 342 CB GLU A 301 18.196 -5.198 -1.095 1.00 0.00 C ATOM 343 CG GLU A 301 17.588 -5.447 0.295 1.00 0.00 C ATOM 344 CD GLU A 301 16.230 -6.139 0.154 1.00 0.00 C ATOM 345 OE1 GLU A 301 16.182 -7.190 -0.465 1.00 0.00 O ATOM 346 OE2 GLU A 301 15.260 -5.607 0.669 1.00 0.00 O ATOM 0 HA GLU A 301 18.063 -3.756 -2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 301 17.999 -6.051 -1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 301 19.279 -5.102 -1.014 1.00 0.00 H new ATOM 0 HG2 GLU A 301 18.261 -6.065 0.890 1.00 0.00 H new ATOM 0 HG3 GLU A 301 17.471 -4.502 0.825 1.00 0.00 H new ATOM 353 N PHE A 302 15.420 -3.590 -0.835 1.00 0.00 N ATOM 354 CA PHE A 302 13.939 -3.635 -0.825 1.00 0.00 C ATOM 355 C PHE A 302 13.399 -2.693 -1.898 1.00 0.00 C ATOM 356 O PHE A 302 12.791 -3.118 -2.858 1.00 0.00 O ATOM 357 CB PHE A 302 13.421 -3.203 0.550 1.00 0.00 C ATOM 358 CG PHE A 302 11.928 -3.422 0.620 1.00 0.00 C ATOM 359 CD1 PHE A 302 11.052 -2.437 0.146 1.00 0.00 C ATOM 360 CD2 PHE A 302 11.419 -4.610 1.159 1.00 0.00 C ATOM 361 CE1 PHE A 302 9.668 -2.642 0.209 1.00 0.00 C ATOM 362 CE2 PHE A 302 10.036 -4.814 1.223 1.00 0.00 C ATOM 363 CZ PHE A 302 9.160 -3.830 0.749 1.00 0.00 C ATOM 0 H PHE A 302 15.841 -3.156 -0.014 1.00 0.00 H new ATOM 0 HA PHE A 302 13.603 -4.651 -1.031 1.00 0.00 H new ATOM 0 HB2 PHE A 302 13.920 -3.774 1.334 1.00 0.00 H new ATOM 0 HB3 PHE A 302 13.653 -2.152 0.724 1.00 0.00 H new ATOM 0 HD1 PHE A 302 11.444 -1.520 -0.268 1.00 0.00 H new ATOM 0 HD2 PHE A 302 12.094 -5.369 1.525 1.00 0.00 H new ATOM 0 HE1 PHE A 302 8.993 -1.884 -0.159 1.00 0.00 H new ATOM 0 HE2 PHE A 302 9.644 -5.731 1.638 1.00 0.00 H new ATOM 0 HZ PHE A 302 8.093 -3.987 0.800 1.00 0.00 H new ATOM 373 N CYS A 303 13.616 -1.418 -1.748 1.00 0.00 N ATOM 374 CA CYS A 303 13.110 -0.460 -2.766 1.00 0.00 C ATOM 375 C CYS A 303 13.829 -0.698 -4.100 1.00 0.00 C ATOM 376 O CYS A 303 13.262 -0.542 -5.163 1.00 0.00 O ATOM 377 CB CYS A 303 13.363 0.974 -2.291 1.00 0.00 C ATOM 378 SG CYS A 303 12.238 2.097 -3.153 1.00 0.00 S ATOM 0 H CYS A 303 14.120 -0.999 -0.967 1.00 0.00 H new ATOM 0 HA CYS A 303 12.039 -0.610 -2.904 1.00 0.00 H new ATOM 0 HB2 CYS A 303 13.211 1.045 -1.214 1.00 0.00 H new ATOM 0 HB3 CYS A 303 14.397 1.257 -2.486 1.00 0.00 H new ATOM 383 N SER A 304 15.082 -1.052 -4.040 1.00 0.00 N ATOM 384 CA SER A 304 15.867 -1.280 -5.287 1.00 0.00 C ATOM 385 C SER A 304 15.152 -2.263 -6.225 1.00 0.00 C ATOM 386 O SER A 304 15.239 -2.137 -7.435 1.00 0.00 O ATOM 387 CB SER A 304 17.240 -1.845 -4.919 1.00 0.00 C ATOM 388 OG SER A 304 18.119 -1.698 -6.027 1.00 0.00 O ATOM 0 H SER A 304 15.601 -1.195 -3.174 1.00 0.00 H new ATOM 0 HA SER A 304 15.972 -0.327 -5.805 1.00 0.00 H new ATOM 0 HB2 SER A 304 17.640 -1.323 -4.050 1.00 0.00 H new ATOM 0 HB3 SER A 304 17.152 -2.897 -4.646 1.00 0.00 H new ATOM 0 HG SER A 304 19.001 -2.057 -5.795 1.00 0.00 H new ATOM 394 N LYS A 305 14.411 -3.215 -5.695 1.00 0.00 N ATOM 395 CA LYS A 305 13.681 -4.173 -6.601 1.00 0.00 C ATOM 396 C LYS A 305 12.220 -3.741 -6.719 1.00 0.00 C ATOM 397 O LYS A 305 11.517 -4.137 -7.638 1.00 0.00 O ATOM 398 CB LYS A 305 13.784 -5.612 -6.090 1.00 0.00 C ATOM 399 CG LYS A 305 15.256 -5.999 -5.936 1.00 0.00 C ATOM 400 CD LYS A 305 15.368 -7.268 -5.083 1.00 0.00 C ATOM 401 CE LYS A 305 14.480 -8.368 -5.671 1.00 0.00 C ATOM 402 NZ LYS A 305 14.879 -9.686 -5.103 1.00 0.00 N ATOM 0 H LYS A 305 14.281 -3.370 -4.695 1.00 0.00 H new ATOM 0 HA LYS A 305 14.146 -4.148 -7.587 1.00 0.00 H new ATOM 0 HB2 LYS A 305 13.271 -5.706 -5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 305 13.290 -6.291 -6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 305 15.703 -6.167 -6.916 1.00 0.00 H new ATOM 0 HG3 LYS A 305 15.810 -5.185 -5.469 1.00 0.00 H new ATOM 0 HD2 LYS A 305 16.404 -7.604 -5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 305 15.068 -7.055 -4.057 1.00 0.00 H new ATOM 0 HE2 LYS A 305 13.433 -8.165 -5.445 1.00 0.00 H new ATOM 0 HE3 LYS A 305 14.574 -8.385 -6.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 305 14.276 -10.433 -5.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 305 15.873 -9.880 -5.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 305 14.767 -9.667 -4.069 1.00 0.00 H new ATOM 416 N MET A 306 11.757 -2.881 -5.863 1.00 0.00 N ATOM 417 CA MET A 306 10.363 -2.413 -6.025 1.00 0.00 C ATOM 418 C MET A 306 10.340 -1.472 -7.220 1.00 0.00 C ATOM 419 O MET A 306 9.319 -1.305 -7.859 1.00 0.00 O ATOM 420 CB MET A 306 9.884 -1.671 -4.774 1.00 0.00 C ATOM 421 CG MET A 306 9.877 -2.616 -3.558 1.00 0.00 C ATOM 422 SD MET A 306 8.243 -3.389 -3.400 1.00 0.00 S ATOM 423 CE MET A 306 7.306 -1.911 -2.918 1.00 0.00 C ATOM 0 H MET A 306 12.272 -2.490 -5.074 1.00 0.00 H new ATOM 0 HA MET A 306 9.699 -3.264 -6.177 1.00 0.00 H new ATOM 0 HB2 MET A 306 10.535 -0.820 -4.577 1.00 0.00 H new ATOM 0 HB3 MET A 306 8.882 -1.274 -4.940 1.00 0.00 H new ATOM 0 HG2 MET A 306 10.643 -3.382 -3.675 1.00 0.00 H new ATOM 0 HG3 MET A 306 10.117 -2.061 -2.651 1.00 0.00 H new ATOM 0 HE1 MET A 306 6.768 -2.108 -1.991 1.00 0.00 H new ATOM 0 HE2 MET A 306 7.992 -1.077 -2.769 1.00 0.00 H new ATOM 0 HE3 MET A 306 6.594 -1.659 -3.704 1.00 0.00 H new ATOM 433 N ASN A 307 11.463 -0.857 -7.554 1.00 0.00 N ATOM 434 CA ASN A 307 11.460 0.052 -8.741 1.00 0.00 C ATOM 435 C ASN A 307 11.698 -0.832 -9.964 1.00 0.00 C ATOM 436 O ASN A 307 11.126 -0.637 -11.018 1.00 0.00 O ATOM 437 CB ASN A 307 12.561 1.108 -8.614 1.00 0.00 C ATOM 438 CG ASN A 307 12.549 2.008 -9.851 1.00 0.00 C ATOM 439 OD1 ASN A 307 11.625 2.771 -10.052 1.00 0.00 O ATOM 440 ND2 ASN A 307 13.543 1.951 -10.694 1.00 0.00 N ATOM 0 H ASN A 307 12.354 -0.946 -7.066 1.00 0.00 H new ATOM 0 HA ASN A 307 10.514 0.588 -8.823 1.00 0.00 H new ATOM 0 HB2 ASN A 307 12.405 1.705 -7.715 1.00 0.00 H new ATOM 0 HB3 ASN A 307 13.533 0.625 -8.512 1.00 0.00 H new ATOM 0 HD21 ASN A 307 13.544 2.547 -11.522 1.00 0.00 H new ATOM 0 HD22 ASN A 307 14.319 1.311 -10.525 1.00 0.00 H new ATOM 447 N GLN A 308 12.555 -1.828 -9.794 1.00 0.00 N ATOM 448 CA GLN A 308 12.858 -2.795 -10.905 1.00 0.00 C ATOM 449 C GLN A 308 11.571 -3.089 -11.672 1.00 0.00 C ATOM 450 O GLN A 308 11.565 -3.197 -12.883 1.00 0.00 O ATOM 451 CB GLN A 308 13.395 -4.103 -10.316 1.00 0.00 C ATOM 452 CG GLN A 308 13.539 -5.148 -11.425 1.00 0.00 C ATOM 453 CD GLN A 308 14.390 -6.315 -10.922 1.00 0.00 C ATOM 454 OE1 GLN A 308 14.027 -7.462 -11.089 1.00 0.00 O ATOM 455 NE2 GLN A 308 15.515 -6.070 -10.308 1.00 0.00 N ATOM 0 H GLN A 308 13.058 -2.009 -8.925 1.00 0.00 H new ATOM 0 HA GLN A 308 13.603 -2.362 -11.572 1.00 0.00 H new ATOM 0 HB2 GLN A 308 14.360 -3.929 -9.839 1.00 0.00 H new ATOM 0 HB3 GLN A 308 12.719 -4.470 -9.543 1.00 0.00 H new ATOM 0 HG2 GLN A 308 12.556 -5.507 -11.731 1.00 0.00 H new ATOM 0 HG3 GLN A 308 14.002 -4.699 -12.304 1.00 0.00 H new ATOM 0 HE21 GLN A 308 15.820 -5.107 -10.168 1.00 0.00 H new ATOM 0 HE22 GLN A 308 16.089 -6.842 -9.968 1.00 0.00 H new ATOM 464 N VAL A 309 10.471 -3.198 -10.964 1.00 0.00 N ATOM 465 CA VAL A 309 9.157 -3.454 -11.642 1.00 0.00 C ATOM 466 C VAL A 309 9.024 -2.530 -12.862 1.00 0.00 C ATOM 467 O VAL A 309 8.177 -2.724 -13.710 1.00 0.00 O ATOM 468 CB VAL A 309 8.008 -3.139 -10.674 1.00 0.00 C ATOM 469 CG1 VAL A 309 8.049 -1.648 -10.311 1.00 0.00 C ATOM 470 CG2 VAL A 309 6.673 -3.471 -11.351 1.00 0.00 C ATOM 0 H VAL A 309 10.425 -3.121 -9.948 1.00 0.00 H new ATOM 0 HA VAL A 309 9.114 -4.499 -11.950 1.00 0.00 H new ATOM 0 HB VAL A 309 8.112 -3.735 -9.767 1.00 0.00 H new ATOM 0 HG11 VAL A 309 7.235 -1.418 -9.623 1.00 0.00 H new ATOM 0 HG12 VAL A 309 9.002 -1.415 -9.836 1.00 0.00 H new ATOM 0 HG13 VAL A 309 7.939 -1.050 -11.216 1.00 0.00 H new ATOM 0 HG21 VAL A 309 5.853 -3.249 -10.668 1.00 0.00 H new ATOM 0 HG22 VAL A 309 6.564 -2.871 -12.255 1.00 0.00 H new ATOM 0 HG23 VAL A 309 6.651 -4.529 -11.613 1.00 0.00 H new ATOM 480 N CYS A 310 9.857 -1.530 -12.954 1.00 0.00 N ATOM 481 CA CYS A 310 9.788 -0.597 -14.110 1.00 0.00 C ATOM 482 C CYS A 310 10.523 -1.205 -15.312 1.00 0.00 C ATOM 483 O CYS A 310 9.941 -1.444 -16.350 1.00 0.00 O ATOM 484 CB CYS A 310 10.437 0.736 -13.719 1.00 0.00 C ATOM 485 SG CYS A 310 9.713 2.068 -14.705 1.00 0.00 S ATOM 0 H CYS A 310 10.586 -1.319 -12.273 1.00 0.00 H new ATOM 0 HA CYS A 310 8.747 -0.428 -14.383 1.00 0.00 H new ATOM 0 HB2 CYS A 310 10.284 0.930 -12.657 1.00 0.00 H new ATOM 0 HB3 CYS A 310 11.514 0.691 -13.883 1.00 0.00 H new ATOM 490 N GLY A 311 11.799 -1.448 -15.179 1.00 0.00 N ATOM 491 CA GLY A 311 12.570 -2.031 -16.313 1.00 0.00 C ATOM 492 C GLY A 311 12.237 -3.518 -16.459 1.00 0.00 C ATOM 493 O GLY A 311 12.490 -4.310 -15.574 1.00 0.00 O ATOM 0 H GLY A 311 12.340 -1.268 -14.334 1.00 0.00 H new ATOM 0 HA2 GLY A 311 12.331 -1.503 -17.236 1.00 0.00 H new ATOM 0 HA3 GLY A 311 13.639 -1.904 -16.141 1.00 0.00 H new ATOM 928 N GLY B 593 -7.536 6.876 -1.052 1.00 0.00 N ATOM 929 CA GLY B 593 -6.265 6.311 -0.518 1.00 0.00 C ATOM 930 C GLY B 593 -5.091 7.161 -1.002 1.00 0.00 C ATOM 931 O GLY B 593 -5.076 7.635 -2.120 1.00 0.00 O ATOM 0 HA2 GLY B 593 -6.291 6.293 0.572 1.00 0.00 H new ATOM 0 HA3 GLY B 593 -6.144 5.280 -0.851 1.00 0.00 H new ATOM 935 N SER B 594 -4.106 7.366 -0.169 1.00 0.00 N ATOM 936 CA SER B 594 -2.938 8.192 -0.589 1.00 0.00 C ATOM 937 C SER B 594 -1.948 7.343 -1.377 1.00 0.00 C ATOM 938 O SER B 594 -2.005 6.130 -1.383 1.00 0.00 O ATOM 939 CB SER B 594 -2.221 8.768 0.626 1.00 0.00 C ATOM 940 OG SER B 594 -3.066 9.711 1.272 1.00 0.00 O ATOM 0 H SER B 594 -4.060 6.998 0.781 1.00 0.00 H new ATOM 0 HA SER B 594 -3.311 9.005 -1.212 1.00 0.00 H new ATOM 0 HB2 SER B 594 -1.955 7.968 1.317 1.00 0.00 H new ATOM 0 HB3 SER B 594 -1.291 9.247 0.320 1.00 0.00 H new ATOM 0 HG SER B 594 -2.606 10.080 2.054 1.00 0.00 H new ATOM 946 N LEU B 595 -1.034 7.993 -2.037 1.00 0.00 N ATOM 947 CA LEU B 595 -0.006 7.279 -2.839 1.00 0.00 C ATOM 948 C LEU B 595 1.256 7.132 -1.988 1.00 0.00 C ATOM 949 O LEU B 595 1.774 8.104 -1.476 1.00 0.00 O ATOM 950 CB LEU B 595 0.313 8.128 -4.067 1.00 0.00 C ATOM 951 CG LEU B 595 -0.798 7.994 -5.124 1.00 0.00 C ATOM 952 CD1 LEU B 595 -0.839 6.562 -5.695 1.00 0.00 C ATOM 953 CD2 LEU B 595 -2.153 8.343 -4.495 1.00 0.00 C ATOM 0 H LEU B 595 -0.955 9.010 -2.054 1.00 0.00 H new ATOM 0 HA LEU B 595 -0.364 6.296 -3.144 1.00 0.00 H new ATOM 0 HB2 LEU B 595 0.420 9.173 -3.775 1.00 0.00 H new ATOM 0 HB3 LEU B 595 1.267 7.817 -4.493 1.00 0.00 H new ATOM 0 HG LEU B 595 -0.587 8.684 -5.941 1.00 0.00 H new ATOM 0 HD11 LEU B 595 -1.631 6.490 -6.440 1.00 0.00 H new ATOM 0 HD12 LEU B 595 0.119 6.328 -6.160 1.00 0.00 H new ATOM 0 HD13 LEU B 595 -1.033 5.854 -4.889 1.00 0.00 H new ATOM 0 HD21 LEU B 595 -2.938 8.247 -5.245 1.00 0.00 H new ATOM 0 HD22 LEU B 595 -2.356 7.662 -3.668 1.00 0.00 H new ATOM 0 HD23 LEU B 595 -2.129 9.368 -4.124 1.00 0.00 H new ATOM 965 N LEU B 596 1.756 5.927 -1.829 1.00 0.00 N ATOM 966 CA LEU B 596 2.992 5.718 -1.003 1.00 0.00 C ATOM 967 C LEU B 596 4.018 4.910 -1.809 1.00 0.00 C ATOM 968 O LEU B 596 3.669 4.151 -2.691 1.00 0.00 O ATOM 969 CB LEU B 596 2.626 4.977 0.298 1.00 0.00 C ATOM 970 CG LEU B 596 1.233 5.434 0.805 1.00 0.00 C ATOM 971 CD1 LEU B 596 0.134 4.521 0.236 1.00 0.00 C ATOM 972 CD2 LEU B 596 1.191 5.366 2.339 1.00 0.00 C ATOM 0 H LEU B 596 1.362 5.079 -2.236 1.00 0.00 H new ATOM 0 HA LEU B 596 3.428 6.683 -0.746 1.00 0.00 H new ATOM 0 HB2 LEU B 596 2.622 3.901 0.123 1.00 0.00 H new ATOM 0 HB3 LEU B 596 3.380 5.173 1.060 1.00 0.00 H new ATOM 0 HG LEU B 596 1.062 6.458 0.474 1.00 0.00 H new ATOM 0 HD11 LEU B 596 -0.839 4.852 0.599 1.00 0.00 H new ATOM 0 HD12 LEU B 596 0.150 4.568 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU B 596 0.311 3.495 0.558 1.00 0.00 H new ATOM 0 HD21 LEU B 596 0.211 5.688 2.691 1.00 0.00 H new ATOM 0 HD22 LEU B 596 1.374 4.342 2.663 1.00 0.00 H new ATOM 0 HD23 LEU B 596 1.958 6.020 2.753 1.00 0.00 H new ATOM 984 N ARG B 597 5.287 5.086 -1.521 1.00 0.00 N ATOM 985 CA ARG B 597 6.351 4.354 -2.281 1.00 0.00 C ATOM 986 C ARG B 597 6.803 3.108 -1.505 1.00 0.00 C ATOM 987 O ARG B 597 6.001 2.379 -0.958 1.00 0.00 O ATOM 988 CB ARG B 597 7.559 5.278 -2.501 1.00 0.00 C ATOM 989 CG ARG B 597 7.088 6.660 -2.974 1.00 0.00 C ATOM 990 CD ARG B 597 8.276 7.627 -2.990 1.00 0.00 C ATOM 991 NE ARG B 597 9.403 7.021 -3.753 1.00 0.00 N ATOM 992 CZ ARG B 597 10.401 7.767 -4.141 1.00 0.00 C ATOM 993 NH1 ARG B 597 10.415 9.039 -3.853 1.00 0.00 N ATOM 994 NH2 ARG B 597 11.386 7.240 -4.815 1.00 0.00 N ATOM 0 H ARG B 597 5.632 5.707 -0.790 1.00 0.00 H new ATOM 0 HA ARG B 597 5.941 4.046 -3.243 1.00 0.00 H new ATOM 0 HB2 ARG B 597 8.125 5.376 -1.575 1.00 0.00 H new ATOM 0 HB3 ARG B 597 8.230 4.842 -3.240 1.00 0.00 H new ATOM 0 HG2 ARG B 597 6.652 6.586 -3.970 1.00 0.00 H new ATOM 0 HG3 ARG B 597 6.308 7.036 -2.312 1.00 0.00 H new ATOM 0 HD2 ARG B 597 7.982 8.573 -3.445 1.00 0.00 H new ATOM 0 HD3 ARG B 597 8.591 7.849 -1.970 1.00 0.00 H new ATOM 0 HE ARG B 597 9.395 6.025 -3.972 1.00 0.00 H new ATOM 0 HH11 ARG B 597 9.646 9.451 -3.324 1.00 0.00 H new ATOM 0 HH12 ARG B 597 11.195 9.622 -4.156 1.00 0.00 H new ATOM 0 HH21 ARG B 597 11.376 6.245 -5.039 1.00 0.00 H new ATOM 0 HH22 ARG B 597 12.166 7.823 -5.118 1.00 0.00 H new ATOM 1008 N CYS B 598 8.088 2.855 -1.475 1.00 0.00 N ATOM 1009 CA CYS B 598 8.610 1.648 -0.759 1.00 0.00 C ATOM 1010 C CYS B 598 8.847 1.967 0.722 1.00 0.00 C ATOM 1011 O CYS B 598 7.951 1.862 1.537 1.00 0.00 O ATOM 1012 CB CYS B 598 9.929 1.220 -1.406 1.00 0.00 C ATOM 1013 SG CYS B 598 10.942 2.687 -1.723 1.00 0.00 S ATOM 0 H CYS B 598 8.801 3.434 -1.917 1.00 0.00 H new ATOM 0 HA CYS B 598 7.878 0.843 -0.830 1.00 0.00 H new ATOM 0 HB2 CYS B 598 10.462 0.530 -0.751 1.00 0.00 H new ATOM 0 HB3 CYS B 598 9.735 0.689 -2.338 1.00 0.00 H new ATOM 1018 N SER B 599 10.053 2.349 1.079 1.00 0.00 N ATOM 1019 CA SER B 599 10.353 2.668 2.511 1.00 0.00 C ATOM 1020 C SER B 599 9.226 3.529 3.075 1.00 0.00 C ATOM 1021 O SER B 599 8.948 3.540 4.268 1.00 0.00 O ATOM 1022 CB SER B 599 11.673 3.433 2.594 1.00 0.00 C ATOM 1023 OG SER B 599 12.674 2.719 1.881 1.00 0.00 O ATOM 0 H SER B 599 10.841 2.453 0.440 1.00 0.00 H new ATOM 0 HA SER B 599 10.434 1.746 3.087 1.00 0.00 H new ATOM 0 HB2 SER B 599 11.555 4.432 2.175 1.00 0.00 H new ATOM 0 HB3 SER B 599 11.970 3.557 3.635 1.00 0.00 H new ATOM 0 HG SER B 599 13.522 3.208 1.930 1.00 0.00 H new ATOM 1029 N GLU B 600 8.555 4.232 2.207 1.00 0.00 N ATOM 1030 CA GLU B 600 7.420 5.084 2.638 1.00 0.00 C ATOM 1031 C GLU B 600 6.550 4.287 3.606 1.00 0.00 C ATOM 1032 O GLU B 600 6.044 4.784 4.599 1.00 0.00 O ATOM 1033 CB GLU B 600 6.581 5.432 1.397 1.00 0.00 C ATOM 1034 CG GLU B 600 5.782 6.719 1.644 1.00 0.00 C ATOM 1035 CD GLU B 600 5.007 6.611 2.960 1.00 0.00 C ATOM 1036 OE1 GLU B 600 4.340 5.608 3.153 1.00 0.00 O ATOM 1037 OE2 GLU B 600 5.094 7.535 3.752 1.00 0.00 O ATOM 0 H GLU B 600 8.749 4.251 1.206 1.00 0.00 H new ATOM 0 HA GLU B 600 7.785 5.991 3.121 1.00 0.00 H new ATOM 0 HB2 GLU B 600 7.232 5.559 0.532 1.00 0.00 H new ATOM 0 HB3 GLU B 600 5.901 4.612 1.166 1.00 0.00 H new ATOM 0 HG2 GLU B 600 6.457 7.574 1.679 1.00 0.00 H new ATOM 0 HG3 GLU B 600 5.091 6.892 0.819 1.00 0.00 H new ATOM 1044 N ILE B 601 6.342 3.040 3.278 1.00 0.00 N ATOM 1045 CA ILE B 601 5.474 2.198 4.117 1.00 0.00 C ATOM 1046 C ILE B 601 6.188 1.909 5.434 1.00 0.00 C ATOM 1047 O ILE B 601 5.571 1.785 6.473 1.00 0.00 O ATOM 1048 CB ILE B 601 5.147 0.909 3.332 1.00 0.00 C ATOM 1049 CG1 ILE B 601 3.848 1.127 2.538 1.00 0.00 C ATOM 1050 CG2 ILE B 601 4.963 -0.293 4.267 1.00 0.00 C ATOM 1051 CD1 ILE B 601 3.763 0.104 1.411 1.00 0.00 C ATOM 0 H ILE B 601 6.741 2.577 2.462 1.00 0.00 H new ATOM 0 HA ILE B 601 4.536 2.699 4.356 1.00 0.00 H new ATOM 0 HB ILE B 601 5.982 0.695 2.665 1.00 0.00 H new ATOM 0 HG12 ILE B 601 2.986 1.030 3.197 1.00 0.00 H new ATOM 0 HG13 ILE B 601 3.824 2.137 2.129 1.00 0.00 H new ATOM 0 HG21 ILE B 601 4.734 -1.181 3.678 1.00 0.00 H new ATOM 0 HG22 ILE B 601 5.881 -0.459 4.831 1.00 0.00 H new ATOM 0 HG23 ILE B 601 4.143 -0.095 4.957 1.00 0.00 H new ATOM 0 HD11 ILE B 601 2.842 0.258 0.848 1.00 0.00 H new ATOM 0 HD12 ILE B 601 4.619 0.223 0.746 1.00 0.00 H new ATOM 0 HD13 ILE B 601 3.767 -0.902 1.831 1.00 0.00 H new ATOM 1063 N TRP B 602 7.503 1.807 5.390 1.00 0.00 N ATOM 1064 CA TRP B 602 8.279 1.539 6.636 1.00 0.00 C ATOM 1065 C TRP B 602 7.734 2.454 7.715 1.00 0.00 C ATOM 1066 O TRP B 602 7.598 2.080 8.862 1.00 0.00 O ATOM 1067 CB TRP B 602 9.763 1.836 6.408 1.00 0.00 C ATOM 1068 CG TRP B 602 10.558 1.327 7.566 1.00 0.00 C ATOM 1069 CD1 TRP B 602 10.974 2.077 8.612 1.00 0.00 C ATOM 1070 CD2 TRP B 602 11.041 -0.025 7.813 1.00 0.00 C ATOM 1071 NE1 TRP B 602 11.681 1.269 9.486 1.00 0.00 N ATOM 1072 CE2 TRP B 602 11.749 -0.034 9.037 1.00 0.00 C ATOM 1073 CE3 TRP B 602 10.933 -1.233 7.100 1.00 0.00 C ATOM 1074 CZ2 TRP B 602 12.330 -1.200 9.537 1.00 0.00 C ATOM 1075 CZ3 TRP B 602 11.517 -2.409 7.600 1.00 0.00 C ATOM 1076 CH2 TRP B 602 12.214 -2.392 8.817 1.00 0.00 C ATOM 0 H TRP B 602 8.064 1.899 4.543 1.00 0.00 H new ATOM 0 HA TRP B 602 8.183 0.493 6.927 1.00 0.00 H new ATOM 0 HB2 TRP B 602 10.101 1.364 5.486 1.00 0.00 H new ATOM 0 HB3 TRP B 602 9.916 2.909 6.292 1.00 0.00 H new ATOM 0 HD1 TRP B 602 10.786 3.132 8.744 1.00 0.00 H new ATOM 0 HE1 TRP B 602 12.101 1.597 10.356 1.00 0.00 H new ATOM 0 HE3 TRP B 602 10.398 -1.257 6.162 1.00 0.00 H new ATOM 0 HZ2 TRP B 602 12.866 -1.181 10.474 1.00 0.00 H new ATOM 0 HZ3 TRP B 602 11.429 -3.331 7.044 1.00 0.00 H new ATOM 0 HH2 TRP B 602 12.660 -3.299 9.197 1.00 0.00 H new ATOM 1087 N ASP B 603 7.375 3.647 7.334 1.00 0.00 N ATOM 1088 CA ASP B 603 6.783 4.581 8.322 1.00 0.00 C ATOM 1089 C ASP B 603 5.387 4.061 8.680 1.00 0.00 C ATOM 1090 O ASP B 603 5.005 4.028 9.832 1.00 0.00 O ATOM 1091 CB ASP B 603 6.675 5.978 7.707 1.00 0.00 C ATOM 1092 CG ASP B 603 6.346 6.994 8.801 1.00 0.00 C ATOM 1093 OD1 ASP B 603 5.200 7.036 9.218 1.00 0.00 O ATOM 1094 OD2 ASP B 603 7.245 7.714 9.204 1.00 0.00 O ATOM 0 H ASP B 603 7.466 4.012 6.386 1.00 0.00 H new ATOM 0 HA ASP B 603 7.406 4.641 9.214 1.00 0.00 H new ATOM 0 HB2 ASP B 603 7.612 6.245 7.218 1.00 0.00 H new ATOM 0 HB3 ASP B 603 5.901 5.990 6.940 1.00 0.00 H new ATOM 1099 N ARG B 604 4.626 3.635 7.697 1.00 0.00 N ATOM 1100 CA ARG B 604 3.259 3.096 7.992 1.00 0.00 C ATOM 1101 C ARG B 604 3.387 1.943 9.003 1.00 0.00 C ATOM 1102 O ARG B 604 2.509 1.696 9.804 1.00 0.00 O ATOM 1103 CB ARG B 604 2.605 2.596 6.692 1.00 0.00 C ATOM 1104 CG ARG B 604 1.071 2.660 6.796 1.00 0.00 C ATOM 1105 CD ARG B 604 0.554 1.695 7.876 1.00 0.00 C ATOM 1106 NE ARG B 604 -0.786 1.184 7.471 1.00 0.00 N ATOM 1107 CZ ARG B 604 -1.296 0.142 8.069 1.00 0.00 C ATOM 1108 NH1 ARG B 604 -0.634 -0.455 9.022 1.00 0.00 N ATOM 1109 NH2 ARG B 604 -2.471 -0.302 7.713 1.00 0.00 N ATOM 0 H ARG B 604 4.890 3.637 6.712 1.00 0.00 H new ATOM 0 HA ARG B 604 2.632 3.881 8.415 1.00 0.00 H new ATOM 0 HB2 ARG B 604 2.943 3.203 5.852 1.00 0.00 H new ATOM 0 HB3 ARG B 604 2.919 1.571 6.492 1.00 0.00 H new ATOM 0 HG2 ARG B 604 0.761 3.678 7.033 1.00 0.00 H new ATOM 0 HG3 ARG B 604 0.626 2.407 5.834 1.00 0.00 H new ATOM 0 HD2 ARG B 604 1.250 0.866 8.004 1.00 0.00 H new ATOM 0 HD3 ARG B 604 0.487 2.206 8.836 1.00 0.00 H new ATOM 0 HE ARG B 604 -1.305 1.649 6.726 1.00 0.00 H new ATOM 0 HH11 ARG B 604 0.284 -0.107 9.301 1.00 0.00 H new ATOM 0 HH12 ARG B 604 -1.034 -1.269 9.488 1.00 0.00 H new ATOM 0 HH21 ARG B 604 -2.989 0.165 6.969 1.00 0.00 H new ATOM 0 HH22 ARG B 604 -2.871 -1.116 8.179 1.00 0.00 H new ATOM 1123 N ILE B 605 4.489 1.243 8.968 1.00 0.00 N ATOM 1124 CA ILE B 605 4.714 0.110 9.916 1.00 0.00 C ATOM 1125 C ILE B 605 5.164 0.645 11.278 1.00 0.00 C ATOM 1126 O ILE B 605 4.691 0.208 12.309 1.00 0.00 O ATOM 1127 CB ILE B 605 5.807 -0.804 9.351 1.00 0.00 C ATOM 1128 CG1 ILE B 605 5.310 -1.410 8.036 1.00 0.00 C ATOM 1129 CG2 ILE B 605 6.105 -1.930 10.347 1.00 0.00 C ATOM 1130 CD1 ILE B 605 6.440 -2.188 7.353 1.00 0.00 C ATOM 0 H ILE B 605 5.254 1.410 8.314 1.00 0.00 H new ATOM 0 HA ILE B 605 3.784 -0.445 10.039 1.00 0.00 H new ATOM 0 HB ILE B 605 6.716 -0.228 9.179 1.00 0.00 H new ATOM 0 HG12 ILE B 605 4.466 -2.073 8.228 1.00 0.00 H new ATOM 0 HG13 ILE B 605 4.951 -0.621 7.376 1.00 0.00 H new ATOM 0 HG21 ILE B 605 6.882 -2.578 9.942 1.00 0.00 H new ATOM 0 HG22 ILE B 605 6.445 -1.501 11.290 1.00 0.00 H new ATOM 0 HG23 ILE B 605 5.200 -2.513 10.519 1.00 0.00 H new ATOM 0 HD11 ILE B 605 6.075 -2.615 6.419 1.00 0.00 H new ATOM 0 HD12 ILE B 605 7.271 -1.514 7.144 1.00 0.00 H new ATOM 0 HD13 ILE B 605 6.779 -2.989 8.010 1.00 0.00 H new ATOM 1142 N THR B 606 6.081 1.571 11.301 1.00 0.00 N ATOM 1143 CA THR B 606 6.558 2.106 12.609 1.00 0.00 C ATOM 1144 C THR B 606 5.372 2.600 13.442 1.00 0.00 C ATOM 1145 O THR B 606 5.287 2.338 14.626 1.00 0.00 O ATOM 1146 CB THR B 606 7.532 3.260 12.371 1.00 0.00 C ATOM 1147 OG1 THR B 606 6.943 4.200 11.485 1.00 0.00 O ATOM 1148 CG2 THR B 606 8.829 2.721 11.764 1.00 0.00 C ATOM 0 H THR B 606 6.520 1.980 10.476 1.00 0.00 H new ATOM 0 HA THR B 606 7.065 1.308 13.151 1.00 0.00 H new ATOM 0 HB THR B 606 7.756 3.748 13.320 1.00 0.00 H new ATOM 0 HG1 THR B 606 6.031 3.916 11.266 1.00 0.00 H new ATOM 0 HG21 THR B 606 9.522 3.545 11.595 1.00 0.00 H new ATOM 0 HG22 THR B 606 9.280 2.002 12.448 1.00 0.00 H new ATOM 0 HG23 THR B 606 8.610 2.231 10.815 1.00 0.00 H new ATOM 1267 N ILE B 614 4.122 -9.882 11.801 1.00 0.00 N ATOM 1268 CA ILE B 614 3.791 -9.615 10.363 1.00 0.00 C ATOM 1269 C ILE B 614 4.785 -10.355 9.458 1.00 0.00 C ATOM 1270 O ILE B 614 5.744 -10.940 9.923 1.00 0.00 O ATOM 1271 CB ILE B 614 3.887 -8.105 10.105 1.00 0.00 C ATOM 1272 CG1 ILE B 614 2.910 -7.375 11.034 1.00 0.00 C ATOM 1273 CG2 ILE B 614 3.538 -7.792 8.641 1.00 0.00 C ATOM 1274 CD1 ILE B 614 3.217 -5.877 11.020 1.00 0.00 C ATOM 0 HA ILE B 614 2.782 -9.966 10.145 1.00 0.00 H new ATOM 0 HB ILE B 614 4.906 -7.771 10.301 1.00 0.00 H new ATOM 0 HG12 ILE B 614 1.884 -7.550 10.710 1.00 0.00 H new ATOM 0 HG13 ILE B 614 2.995 -7.765 12.048 1.00 0.00 H new ATOM 0 HG21 ILE B 614 3.610 -6.718 8.471 1.00 0.00 H new ATOM 0 HG22 ILE B 614 4.234 -8.311 7.982 1.00 0.00 H new ATOM 0 HG23 ILE B 614 2.522 -8.125 8.430 1.00 0.00 H new ATOM 0 HD11 ILE B 614 2.523 -5.357 11.680 1.00 0.00 H new ATOM 0 HD12 ILE B 614 4.238 -5.712 11.364 1.00 0.00 H new ATOM 0 HD13 ILE B 614 3.109 -5.493 10.006 1.00 0.00 H new ATOM 1286 N ASP B 615 4.562 -10.321 8.166 1.00 0.00 N ATOM 1287 CA ASP B 615 5.478 -10.999 7.201 1.00 0.00 C ATOM 1288 C ASP B 615 5.882 -9.981 6.138 1.00 0.00 C ATOM 1289 O ASP B 615 5.058 -9.473 5.409 1.00 0.00 O ATOM 1290 CB ASP B 615 4.748 -12.169 6.539 1.00 0.00 C ATOM 1291 CG ASP B 615 4.388 -13.212 7.598 1.00 0.00 C ATOM 1292 OD1 ASP B 615 3.751 -12.842 8.572 1.00 0.00 O ATOM 1293 OD2 ASP B 615 4.754 -14.361 7.419 1.00 0.00 O ATOM 0 H ASP B 615 3.770 -9.844 7.735 1.00 0.00 H new ATOM 0 HA ASP B 615 6.360 -11.379 7.717 1.00 0.00 H new ATOM 0 HB2 ASP B 615 3.845 -11.814 6.042 1.00 0.00 H new ATOM 0 HB3 ASP B 615 5.379 -12.617 5.772 1.00 0.00 H new ATOM 1298 N VAL B 616 7.146 -9.683 6.047 1.00 0.00 N ATOM 1299 CA VAL B 616 7.613 -8.696 5.030 1.00 0.00 C ATOM 1300 C VAL B 616 7.771 -9.393 3.675 1.00 0.00 C ATOM 1301 O VAL B 616 7.867 -8.759 2.639 1.00 0.00 O ATOM 1302 CB VAL B 616 8.955 -8.108 5.471 1.00 0.00 C ATOM 1303 CG1 VAL B 616 9.416 -7.064 4.453 1.00 0.00 C ATOM 1304 CG2 VAL B 616 8.790 -7.441 6.841 1.00 0.00 C ATOM 0 H VAL B 616 7.880 -10.080 6.634 1.00 0.00 H new ATOM 0 HA VAL B 616 6.881 -7.893 4.937 1.00 0.00 H new ATOM 0 HB VAL B 616 9.697 -8.904 5.536 1.00 0.00 H new ATOM 0 HG11 VAL B 616 10.372 -6.646 4.768 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.530 -7.534 3.476 1.00 0.00 H new ATOM 0 HG13 VAL B 616 8.675 -6.267 4.388 1.00 0.00 H new ATOM 0 HG21 VAL B 616 9.744 -7.021 7.158 1.00 0.00 H new ATOM 0 HG22 VAL B 616 8.048 -6.645 6.771 1.00 0.00 H new ATOM 0 HG23 VAL B 616 8.460 -8.182 7.569 1.00 0.00 H new ATOM 1314 N ASP B 617 7.812 -10.696 3.677 1.00 0.00 N ATOM 1315 CA ASP B 617 7.988 -11.445 2.398 1.00 0.00 C ATOM 1316 C ASP B 617 6.769 -11.261 1.488 1.00 0.00 C ATOM 1317 O ASP B 617 6.901 -11.018 0.306 1.00 0.00 O ATOM 1318 CB ASP B 617 8.170 -12.933 2.704 1.00 0.00 C ATOM 1319 CG ASP B 617 7.037 -13.408 3.616 1.00 0.00 C ATOM 1320 OD1 ASP B 617 5.929 -13.548 3.128 1.00 0.00 O ATOM 1321 OD2 ASP B 617 7.299 -13.623 4.789 1.00 0.00 O ATOM 0 H ASP B 617 7.731 -11.278 4.511 1.00 0.00 H new ATOM 0 HA ASP B 617 8.868 -11.057 1.885 1.00 0.00 H new ATOM 0 HB2 ASP B 617 8.171 -13.508 1.778 1.00 0.00 H new ATOM 0 HB3 ASP B 617 9.133 -13.101 3.185 1.00 0.00 H new ATOM 1326 N GLY B 618 5.586 -11.393 2.020 1.00 0.00 N ATOM 1327 CA GLY B 618 4.370 -11.242 1.169 1.00 0.00 C ATOM 1328 C GLY B 618 4.242 -9.800 0.678 1.00 0.00 C ATOM 1329 O GLY B 618 3.771 -9.551 -0.414 1.00 0.00 O ATOM 0 H GLY B 618 5.407 -11.598 3.003 1.00 0.00 H new ATOM 0 HA2 GLY B 618 4.427 -11.920 0.317 1.00 0.00 H new ATOM 0 HA3 GLY B 618 3.483 -11.520 1.738 1.00 0.00 H new ATOM 1333 N LEU B 619 4.663 -8.844 1.460 1.00 0.00 N ATOM 1334 CA LEU B 619 4.558 -7.432 0.998 1.00 0.00 C ATOM 1335 C LEU B 619 5.531 -7.237 -0.166 1.00 0.00 C ATOM 1336 O LEU B 619 5.412 -6.314 -0.948 1.00 0.00 O ATOM 1337 CB LEU B 619 4.888 -6.460 2.142 1.00 0.00 C ATOM 1338 CG LEU B 619 4.386 -7.031 3.466 1.00 0.00 C ATOM 1339 CD1 LEU B 619 4.636 -6.016 4.584 1.00 0.00 C ATOM 1340 CD2 LEU B 619 2.884 -7.323 3.371 1.00 0.00 C ATOM 0 H LEU B 619 5.070 -8.976 2.386 1.00 0.00 H new ATOM 0 HA LEU B 619 3.539 -7.224 0.673 1.00 0.00 H new ATOM 0 HB2 LEU B 619 5.964 -6.294 2.192 1.00 0.00 H new ATOM 0 HB3 LEU B 619 4.424 -5.492 1.954 1.00 0.00 H new ATOM 0 HG LEU B 619 4.919 -7.957 3.683 1.00 0.00 H new ATOM 0 HD11 LEU B 619 4.278 -6.422 5.530 1.00 0.00 H new ATOM 0 HD12 LEU B 619 5.704 -5.811 4.657 1.00 0.00 H new ATOM 0 HD13 LEU B 619 4.104 -5.091 4.361 1.00 0.00 H new ATOM 0 HD21 LEU B 619 2.532 -7.730 4.319 1.00 0.00 H new ATOM 0 HD22 LEU B 619 2.347 -6.400 3.151 1.00 0.00 H new ATOM 0 HD23 LEU B 619 2.704 -8.046 2.576 1.00 0.00 H new ATOM 1352 N CYS B 620 6.500 -8.106 -0.277 1.00 0.00 N ATOM 1353 CA CYS B 620 7.496 -7.986 -1.378 1.00 0.00 C ATOM 1354 C CYS B 620 6.877 -8.401 -2.722 1.00 0.00 C ATOM 1355 O CYS B 620 6.950 -7.672 -3.686 1.00 0.00 O ATOM 1356 CB CYS B 620 8.693 -8.888 -1.074 1.00 0.00 C ATOM 1357 SG CYS B 620 10.060 -8.471 -2.185 1.00 0.00 S ATOM 0 H CYS B 620 6.644 -8.897 0.351 1.00 0.00 H new ATOM 0 HA CYS B 620 7.815 -6.946 -1.448 1.00 0.00 H new ATOM 0 HB2 CYS B 620 9.002 -8.762 -0.036 1.00 0.00 H new ATOM 0 HB3 CYS B 620 8.415 -9.934 -1.199 1.00 0.00 H new ATOM 0 HG CYS B 620 11.079 -9.236 -1.926 1.00 0.00 H new ATOM 1363 N SER B 621 6.279 -9.565 -2.808 1.00 0.00 N ATOM 1364 CA SER B 621 5.681 -10.000 -4.116 1.00 0.00 C ATOM 1365 C SER B 621 4.284 -9.395 -4.288 1.00 0.00 C ATOM 1366 O SER B 621 3.641 -9.571 -5.303 1.00 0.00 O ATOM 1367 CB SER B 621 5.609 -11.526 -4.184 1.00 0.00 C ATOM 1368 OG SER B 621 4.776 -12.004 -3.137 1.00 0.00 O ATOM 0 H SER B 621 6.178 -10.228 -2.040 1.00 0.00 H new ATOM 0 HA SER B 621 6.318 -9.644 -4.926 1.00 0.00 H new ATOM 0 HB2 SER B 621 5.214 -11.840 -5.150 1.00 0.00 H new ATOM 0 HB3 SER B 621 6.608 -11.953 -4.093 1.00 0.00 H new ATOM 0 HG SER B 621 4.726 -12.982 -3.179 1.00 0.00 H new ATOM 1374 N GLU B 622 3.826 -8.665 -3.319 1.00 0.00 N ATOM 1375 CA GLU B 622 2.487 -8.013 -3.420 1.00 0.00 C ATOM 1376 C GLU B 622 2.662 -6.554 -3.854 1.00 0.00 C ATOM 1377 O GLU B 622 1.987 -6.084 -4.748 1.00 0.00 O ATOM 1378 CB GLU B 622 1.807 -8.052 -2.053 1.00 0.00 C ATOM 1379 CG GLU B 622 1.308 -9.470 -1.771 1.00 0.00 C ATOM 1380 CD GLU B 622 0.868 -9.574 -0.309 1.00 0.00 C ATOM 1381 OE1 GLU B 622 1.639 -9.179 0.551 1.00 0.00 O ATOM 1382 OE2 GLU B 622 -0.232 -10.047 -0.074 1.00 0.00 O ATOM 0 H GLU B 622 4.324 -8.486 -2.447 1.00 0.00 H new ATOM 0 HA GLU B 622 1.877 -8.541 -4.153 1.00 0.00 H new ATOM 0 HB2 GLU B 622 2.507 -7.741 -1.278 1.00 0.00 H new ATOM 0 HB3 GLU B 622 0.973 -7.350 -2.030 1.00 0.00 H new ATOM 0 HG2 GLU B 622 0.475 -9.712 -2.431 1.00 0.00 H new ATOM 0 HG3 GLU B 622 2.098 -10.193 -1.977 1.00 0.00 H new ATOM 1389 N LEU B 623 3.548 -5.825 -3.229 1.00 0.00 N ATOM 1390 CA LEU B 623 3.740 -4.392 -3.615 1.00 0.00 C ATOM 1391 C LEU B 623 4.761 -4.268 -4.759 1.00 0.00 C ATOM 1392 O LEU B 623 4.817 -3.261 -5.431 1.00 0.00 O ATOM 1393 CB LEU B 623 4.232 -3.587 -2.398 1.00 0.00 C ATOM 1394 CG LEU B 623 3.065 -3.308 -1.429 1.00 0.00 C ATOM 1395 CD1 LEU B 623 2.743 -4.560 -0.608 1.00 0.00 C ATOM 1396 CD2 LEU B 623 3.448 -2.172 -0.476 1.00 0.00 C ATOM 0 H LEU B 623 4.145 -6.156 -2.471 1.00 0.00 H new ATOM 0 HA LEU B 623 2.784 -3.996 -3.956 1.00 0.00 H new ATOM 0 HB2 LEU B 623 5.017 -4.140 -1.882 1.00 0.00 H new ATOM 0 HB3 LEU B 623 4.670 -2.646 -2.730 1.00 0.00 H new ATOM 0 HG LEU B 623 2.189 -3.026 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU B 623 1.917 -4.347 0.071 1.00 0.00 H new ATOM 0 HD12 LEU B 623 2.462 -5.372 -1.278 1.00 0.00 H new ATOM 0 HD13 LEU B 623 3.621 -4.853 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU B 623 2.622 -1.977 0.208 1.00 0.00 H new ATOM 0 HD22 LEU B 623 4.331 -2.458 0.095 1.00 0.00 H new ATOM 0 HD23 LEU B 623 3.664 -1.272 -1.051 1.00 0.00 H new ATOM 1408 N MET B 624 5.583 -5.263 -4.979 1.00 0.00 N ATOM 1409 CA MET B 624 6.603 -5.156 -6.071 1.00 0.00 C ATOM 1410 C MET B 624 5.939 -5.187 -7.451 1.00 0.00 C ATOM 1411 O MET B 624 6.453 -4.620 -8.392 1.00 0.00 O ATOM 1412 CB MET B 624 7.606 -6.311 -5.967 1.00 0.00 C ATOM 1413 CG MET B 624 8.581 -6.274 -7.153 1.00 0.00 C ATOM 1414 SD MET B 624 7.849 -7.140 -8.564 1.00 0.00 S ATOM 1415 CE MET B 624 9.197 -6.848 -9.737 1.00 0.00 C ATOM 0 H MET B 624 5.594 -6.138 -4.456 1.00 0.00 H new ATOM 0 HA MET B 624 7.121 -4.204 -5.954 1.00 0.00 H new ATOM 0 HB2 MET B 624 8.158 -6.239 -5.030 1.00 0.00 H new ATOM 0 HB3 MET B 624 7.075 -7.263 -5.952 1.00 0.00 H new ATOM 0 HG2 MET B 624 8.804 -5.242 -7.422 1.00 0.00 H new ATOM 0 HG3 MET B 624 9.526 -6.742 -6.876 1.00 0.00 H new ATOM 0 HE1 MET B 624 8.951 -7.306 -10.695 1.00 0.00 H new ATOM 0 HE2 MET B 624 9.335 -5.775 -9.872 1.00 0.00 H new ATOM 0 HE3 MET B 624 10.117 -7.287 -9.351 1.00 0.00 H new ATOM 1425 N ALA B 625 4.801 -5.823 -7.589 1.00 0.00 N ATOM 1426 CA ALA B 625 4.113 -5.861 -8.925 1.00 0.00 C ATOM 1427 C ALA B 625 2.928 -4.901 -8.897 1.00 0.00 C ATOM 1428 O ALA B 625 2.690 -4.190 -9.852 1.00 0.00 O ATOM 1429 CB ALA B 625 3.646 -7.282 -9.249 1.00 0.00 C ATOM 0 H ALA B 625 4.317 -6.317 -6.839 1.00 0.00 H new ATOM 0 HA ALA B 625 4.812 -5.555 -9.703 1.00 0.00 H new ATOM 0 HB1 ALA B 625 3.150 -7.290 -10.220 1.00 0.00 H new ATOM 0 HB2 ALA B 625 4.506 -7.951 -9.276 1.00 0.00 H new ATOM 0 HB3 ALA B 625 2.948 -7.619 -8.483 1.00 0.00 H new ATOM 1435 N LYS B 626 2.209 -4.819 -7.819 1.00 0.00 N ATOM 1436 CA LYS B 626 1.096 -3.835 -7.791 1.00 0.00 C ATOM 1437 C LYS B 626 1.731 -2.456 -7.980 1.00 0.00 C ATOM 1438 O LYS B 626 1.075 -1.475 -8.269 1.00 0.00 O ATOM 1439 CB LYS B 626 0.372 -3.897 -6.439 1.00 0.00 C ATOM 1440 CG LYS B 626 -0.316 -5.264 -6.270 1.00 0.00 C ATOM 1441 CD LYS B 626 -1.683 -5.259 -6.966 1.00 0.00 C ATOM 1442 CE LYS B 626 -2.404 -6.578 -6.682 1.00 0.00 C ATOM 1443 NZ LYS B 626 -2.622 -6.719 -5.214 1.00 0.00 N ATOM 0 H LYS B 626 2.337 -5.375 -6.974 1.00 0.00 H new ATOM 0 HA LYS B 626 0.364 -4.045 -8.571 1.00 0.00 H new ATOM 0 HB2 LYS B 626 1.083 -3.737 -5.629 1.00 0.00 H new ATOM 0 HB3 LYS B 626 -0.368 -3.099 -6.377 1.00 0.00 H new ATOM 0 HG2 LYS B 626 0.312 -6.050 -6.691 1.00 0.00 H new ATOM 0 HG3 LYS B 626 -0.440 -5.488 -5.211 1.00 0.00 H new ATOM 0 HD2 LYS B 626 -2.282 -4.421 -6.609 1.00 0.00 H new ATOM 0 HD3 LYS B 626 -1.556 -5.126 -8.040 1.00 0.00 H new ATOM 0 HE2 LYS B 626 -3.359 -6.603 -7.206 1.00 0.00 H new ATOM 0 HE3 LYS B 626 -1.814 -7.415 -7.055 1.00 0.00 H new ATOM 0 HZ1 LYS B 626 -3.595 -7.041 -5.037 1.00 0.00 H new ATOM 0 HZ2 LYS B 626 -1.951 -7.414 -4.829 1.00 0.00 H new ATOM 0 HZ3 LYS B 626 -2.472 -5.800 -4.751 1.00 0.00 H new ATOM 1457 N ALA B 627 3.026 -2.403 -7.804 1.00 0.00 N ATOM 1458 CA ALA B 627 3.784 -1.128 -7.944 1.00 0.00 C ATOM 1459 C ALA B 627 3.406 -0.384 -9.228 1.00 0.00 C ATOM 1460 O ALA B 627 3.113 -0.978 -10.246 1.00 0.00 O ATOM 1461 CB ALA B 627 5.275 -1.440 -7.987 1.00 0.00 C ATOM 0 H ALA B 627 3.601 -3.210 -7.564 1.00 0.00 H new ATOM 0 HA ALA B 627 3.538 -0.494 -7.092 1.00 0.00 H new ATOM 0 HB1 ALA B 627 5.838 -0.512 -8.089 1.00 0.00 H new ATOM 0 HB2 ALA B 627 5.568 -1.943 -7.065 1.00 0.00 H new ATOM 0 HB3 ALA B 627 5.487 -2.089 -8.837 1.00 0.00 H new ATOM 1467 N LYS B 628 3.447 0.927 -9.181 1.00 0.00 N ATOM 1468 CA LYS B 628 3.135 1.764 -10.381 1.00 0.00 C ATOM 1469 C LYS B 628 4.361 2.636 -10.675 1.00 0.00 C ATOM 1470 O LYS B 628 4.483 3.742 -10.185 1.00 0.00 O ATOM 1471 CB LYS B 628 1.931 2.659 -10.085 1.00 0.00 C ATOM 1472 CG LYS B 628 1.519 3.396 -11.360 1.00 0.00 C ATOM 1473 CD LYS B 628 0.295 4.267 -11.075 1.00 0.00 C ATOM 1474 CE LYS B 628 -0.180 4.918 -12.375 1.00 0.00 C ATOM 1475 NZ LYS B 628 -0.406 3.865 -13.404 1.00 0.00 N ATOM 0 H LYS B 628 3.688 1.460 -8.346 1.00 0.00 H new ATOM 0 HA LYS B 628 2.900 1.131 -11.237 1.00 0.00 H new ATOM 0 HB2 LYS B 628 1.100 2.059 -9.715 1.00 0.00 H new ATOM 0 HB3 LYS B 628 2.180 3.375 -9.302 1.00 0.00 H new ATOM 0 HG2 LYS B 628 2.343 4.014 -11.717 1.00 0.00 H new ATOM 0 HG3 LYS B 628 1.292 2.679 -12.149 1.00 0.00 H new ATOM 0 HD2 LYS B 628 -0.503 3.662 -10.646 1.00 0.00 H new ATOM 0 HD3 LYS B 628 0.544 5.034 -10.341 1.00 0.00 H new ATOM 0 HE2 LYS B 628 -1.101 5.474 -12.200 1.00 0.00 H new ATOM 0 HE3 LYS B 628 0.562 5.633 -12.728 1.00 0.00 H new ATOM 0 HZ1 LYS B 628 -1.203 4.140 -14.013 1.00 0.00 H new ATOM 0 HZ2 LYS B 628 0.451 3.756 -13.983 1.00 0.00 H new ATOM 0 HZ3 LYS B 628 -0.624 2.963 -12.935 1.00 0.00 H new ATOM 1489 N CYS B 629 5.288 2.118 -11.434 1.00 0.00 N ATOM 1490 CA CYS B 629 6.539 2.878 -11.736 1.00 0.00 C ATOM 1491 C CYS B 629 6.241 4.296 -12.234 1.00 0.00 C ATOM 1492 O CYS B 629 5.432 4.520 -13.113 1.00 0.00 O ATOM 1493 CB CYS B 629 7.359 2.134 -12.793 1.00 0.00 C ATOM 1494 SG CYS B 629 8.722 3.191 -13.351 1.00 0.00 S ATOM 0 H CYS B 629 5.234 1.194 -11.862 1.00 0.00 H new ATOM 0 HA CYS B 629 7.105 2.957 -10.808 1.00 0.00 H new ATOM 0 HB2 CYS B 629 7.751 1.205 -12.378 1.00 0.00 H new ATOM 0 HB3 CYS B 629 6.725 1.863 -13.637 1.00 0.00 H new ATOM 1499 N SER B 630 6.946 5.245 -11.672 1.00 0.00 N ATOM 1500 CA SER B 630 6.805 6.676 -12.072 1.00 0.00 C ATOM 1501 C SER B 630 8.199 7.308 -12.019 1.00 0.00 C ATOM 1502 O SER B 630 9.088 6.785 -11.376 1.00 0.00 O ATOM 1503 CB SER B 630 5.866 7.399 -11.104 1.00 0.00 C ATOM 1504 OG SER B 630 5.482 8.646 -11.667 1.00 0.00 O ATOM 0 H SER B 630 7.631 5.082 -10.934 1.00 0.00 H new ATOM 0 HA SER B 630 6.386 6.755 -13.075 1.00 0.00 H new ATOM 0 HB2 SER B 630 4.985 6.788 -10.909 1.00 0.00 H new ATOM 0 HB3 SER B 630 6.363 7.556 -10.147 1.00 0.00 H new ATOM 0 HG SER B 630 4.879 9.111 -11.050 1.00 0.00 H new ATOM 1510 N GLU B 631 8.425 8.411 -12.682 1.00 0.00 N ATOM 1511 CA GLU B 631 9.787 9.021 -12.641 1.00 0.00 C ATOM 1512 C GLU B 631 10.100 9.502 -11.221 1.00 0.00 C ATOM 1513 O GLU B 631 11.248 9.663 -10.856 1.00 0.00 O ATOM 1514 CB GLU B 631 9.858 10.193 -13.623 1.00 0.00 C ATOM 1515 CG GLU B 631 11.298 10.696 -13.723 1.00 0.00 C ATOM 1516 CD GLU B 631 11.374 11.824 -14.755 1.00 0.00 C ATOM 1517 OE1 GLU B 631 10.466 12.639 -14.779 1.00 0.00 O ATOM 1518 OE2 GLU B 631 12.337 11.853 -15.503 1.00 0.00 O ATOM 0 H GLU B 631 7.736 8.911 -13.243 1.00 0.00 H new ATOM 0 HA GLU B 631 10.525 8.272 -12.929 1.00 0.00 H new ATOM 0 HB2 GLU B 631 9.503 9.879 -14.605 1.00 0.00 H new ATOM 0 HB3 GLU B 631 9.204 10.999 -13.290 1.00 0.00 H new ATOM 0 HG2 GLU B 631 11.638 11.054 -12.751 1.00 0.00 H new ATOM 0 HG3 GLU B 631 11.960 9.880 -14.011 1.00 0.00 H new ATOM 1525 N ARG B 632 9.102 9.712 -10.407 1.00 0.00 N ATOM 1526 CA ARG B 632 9.373 10.155 -9.008 1.00 0.00 C ATOM 1527 C ARG B 632 9.699 8.914 -8.172 1.00 0.00 C ATOM 1528 O ARG B 632 10.226 8.997 -7.079 1.00 0.00 O ATOM 1529 CB ARG B 632 8.125 10.851 -8.442 1.00 0.00 C ATOM 1530 CG ARG B 632 8.492 11.665 -7.186 1.00 0.00 C ATOM 1531 CD ARG B 632 8.955 13.073 -7.584 1.00 0.00 C ATOM 1532 NE ARG B 632 9.696 13.690 -6.449 1.00 0.00 N ATOM 1533 CZ ARG B 632 10.425 14.754 -6.647 1.00 0.00 C ATOM 1534 NH1 ARG B 632 10.504 15.278 -7.839 1.00 0.00 N ATOM 1535 NH2 ARG B 632 11.074 15.294 -5.652 1.00 0.00 N ATOM 0 H ARG B 632 8.117 9.597 -10.647 1.00 0.00 H new ATOM 0 HA ARG B 632 10.208 10.855 -8.983 1.00 0.00 H new ATOM 0 HB2 ARG B 632 7.693 11.508 -9.197 1.00 0.00 H new ATOM 0 HB3 ARG B 632 7.367 10.108 -8.194 1.00 0.00 H new ATOM 0 HG2 ARG B 632 7.630 11.732 -6.522 1.00 0.00 H new ATOM 0 HG3 ARG B 632 9.282 11.157 -6.633 1.00 0.00 H new ATOM 0 HD2 ARG B 632 9.595 13.022 -8.465 1.00 0.00 H new ATOM 0 HD3 ARG B 632 8.096 13.689 -7.849 1.00 0.00 H new ATOM 0 HE ARG B 632 9.634 13.281 -5.517 1.00 0.00 H new ATOM 0 HH11 ARG B 632 9.996 14.856 -8.616 1.00 0.00 H new ATOM 0 HH12 ARG B 632 11.074 16.110 -7.994 1.00 0.00 H new ATOM 0 HH21 ARG B 632 11.011 14.884 -4.720 1.00 0.00 H new ATOM 0 HH22 ARG B 632 11.644 16.126 -5.806 1.00 0.00 H new ATOM 1549 N GLY B 633 9.373 7.763 -8.698 1.00 0.00 N ATOM 1550 CA GLY B 633 9.633 6.476 -7.978 1.00 0.00 C ATOM 1551 C GLY B 633 8.367 5.623 -8.037 1.00 0.00 C ATOM 1552 O GLY B 633 7.400 5.986 -8.676 1.00 0.00 O ATOM 0 H GLY B 633 8.930 7.656 -9.611 1.00 0.00 H new ATOM 0 HA2 GLY B 633 10.468 5.947 -8.437 1.00 0.00 H new ATOM 0 HA3 GLY B 633 9.910 6.671 -6.942 1.00 0.00 H new ATOM 1556 N VAL B 634 8.350 4.494 -7.381 1.00 0.00 N ATOM 1557 CA VAL B 634 7.142 3.629 -7.404 1.00 0.00 C ATOM 1558 C VAL B 634 6.078 4.215 -6.475 1.00 0.00 C ATOM 1559 O VAL B 634 6.389 4.761 -5.436 1.00 0.00 O ATOM 1560 CB VAL B 634 7.554 2.232 -6.899 1.00 0.00 C ATOM 1561 CG1 VAL B 634 8.484 2.377 -5.689 1.00 0.00 C ATOM 1562 CG2 VAL B 634 6.316 1.418 -6.491 1.00 0.00 C ATOM 0 H VAL B 634 9.128 4.134 -6.828 1.00 0.00 H new ATOM 0 HA VAL B 634 6.734 3.566 -8.413 1.00 0.00 H new ATOM 0 HB VAL B 634 8.070 1.710 -7.705 1.00 0.00 H new ATOM 0 HG11 VAL B 634 8.775 1.389 -5.333 1.00 0.00 H new ATOM 0 HG12 VAL B 634 9.375 2.934 -5.979 1.00 0.00 H new ATOM 0 HG13 VAL B 634 7.965 2.911 -4.893 1.00 0.00 H new ATOM 0 HG21 VAL B 634 6.627 0.435 -6.137 1.00 0.00 H new ATOM 0 HG22 VAL B 634 5.784 1.939 -5.694 1.00 0.00 H new ATOM 0 HG23 VAL B 634 5.657 1.302 -7.351 1.00 0.00 H new ATOM 1572 N VAL B 635 4.824 4.091 -6.825 1.00 0.00 N ATOM 1573 CA VAL B 635 3.739 4.622 -5.943 1.00 0.00 C ATOM 1574 C VAL B 635 2.564 3.639 -5.956 1.00 0.00 C ATOM 1575 O VAL B 635 2.210 3.096 -6.984 1.00 0.00 O ATOM 1576 CB VAL B 635 3.280 5.989 -6.454 1.00 0.00 C ATOM 1577 CG1 VAL B 635 4.445 6.977 -6.386 1.00 0.00 C ATOM 1578 CG2 VAL B 635 2.806 5.860 -7.904 1.00 0.00 C ATOM 0 H VAL B 635 4.503 3.645 -7.684 1.00 0.00 H new ATOM 0 HA VAL B 635 4.112 4.735 -4.925 1.00 0.00 H new ATOM 0 HB VAL B 635 2.460 6.351 -5.834 1.00 0.00 H new ATOM 0 HG11 VAL B 635 4.118 7.951 -6.750 1.00 0.00 H new ATOM 0 HG12 VAL B 635 4.783 7.070 -5.354 1.00 0.00 H new ATOM 0 HG13 VAL B 635 5.266 6.615 -7.005 1.00 0.00 H new ATOM 0 HG21 VAL B 635 2.479 6.834 -8.268 1.00 0.00 H new ATOM 0 HG22 VAL B 635 3.626 5.498 -8.524 1.00 0.00 H new ATOM 0 HG23 VAL B 635 1.975 5.156 -7.954 1.00 0.00 H new ATOM 1588 N ILE B 636 1.966 3.401 -4.814 1.00 0.00 N ATOM 1589 CA ILE B 636 0.815 2.444 -4.733 1.00 0.00 C ATOM 1590 C ILE B 636 -0.315 3.075 -3.921 1.00 0.00 C ATOM 1591 O ILE B 636 -0.093 3.930 -3.087 1.00 0.00 O ATOM 1592 CB ILE B 636 1.276 1.156 -4.042 1.00 0.00 C ATOM 1593 CG1 ILE B 636 2.269 0.427 -4.949 1.00 0.00 C ATOM 1594 CG2 ILE B 636 0.071 0.248 -3.779 1.00 0.00 C ATOM 1595 CD1 ILE B 636 2.960 -0.688 -4.162 1.00 0.00 C ATOM 0 H ILE B 636 2.227 3.832 -3.927 1.00 0.00 H new ATOM 0 HA ILE B 636 0.459 2.216 -5.738 1.00 0.00 H new ATOM 0 HB ILE B 636 1.753 1.405 -3.094 1.00 0.00 H new ATOM 0 HG12 ILE B 636 1.750 0.009 -5.812 1.00 0.00 H new ATOM 0 HG13 ILE B 636 3.010 1.129 -5.332 1.00 0.00 H new ATOM 0 HG21 ILE B 636 0.405 -0.666 -3.288 1.00 0.00 H new ATOM 0 HG22 ILE B 636 -0.642 0.766 -3.137 1.00 0.00 H new ATOM 0 HG23 ILE B 636 -0.409 -0.003 -4.725 1.00 0.00 H new ATOM 0 HD11 ILE B 636 3.667 -1.206 -4.810 1.00 0.00 H new ATOM 0 HD12 ILE B 636 3.493 -0.258 -3.314 1.00 0.00 H new ATOM 0 HD13 ILE B 636 2.213 -1.395 -3.801 1.00 0.00 H new ATOM 1607 N ASN B 637 -1.529 2.659 -4.158 1.00 0.00 N ATOM 1608 CA ASN B 637 -2.675 3.233 -3.401 1.00 0.00 C ATOM 1609 C ASN B 637 -2.828 2.499 -2.068 1.00 0.00 C ATOM 1610 O ASN B 637 -2.754 1.288 -1.995 1.00 0.00 O ATOM 1611 CB ASN B 637 -3.959 3.076 -4.217 1.00 0.00 C ATOM 1612 CG ASN B 637 -5.099 3.826 -3.525 1.00 0.00 C ATOM 1613 OD1 ASN B 637 -6.181 3.297 -3.366 1.00 0.00 O ATOM 1614 ND2 ASN B 637 -4.899 5.045 -3.101 1.00 0.00 N ATOM 0 H ASN B 637 -1.776 1.946 -4.844 1.00 0.00 H new ATOM 0 HA ASN B 637 -2.490 4.291 -3.215 1.00 0.00 H new ATOM 0 HB2 ASN B 637 -3.812 3.466 -5.224 1.00 0.00 H new ATOM 0 HB3 ASN B 637 -4.212 2.021 -4.317 1.00 0.00 H new ATOM 0 HD21 ASN B 637 -5.651 5.553 -2.636 1.00 0.00 H new ATOM 0 HD22 ASN B 637 -3.990 5.489 -3.235 1.00 0.00 H new ATOM 1621 N ALA B 638 -3.048 3.234 -1.016 1.00 0.00 N ATOM 1622 CA ALA B 638 -3.218 2.609 0.325 1.00 0.00 C ATOM 1623 C ALA B 638 -4.230 1.457 0.257 1.00 0.00 C ATOM 1624 O ALA B 638 -4.395 0.716 1.202 1.00 0.00 O ATOM 1625 CB ALA B 638 -3.712 3.660 1.317 1.00 0.00 C ATOM 0 H ALA B 638 -3.118 4.252 -1.027 1.00 0.00 H new ATOM 0 HA ALA B 638 -2.256 2.213 0.652 1.00 0.00 H new ATOM 0 HB1 ALA B 638 -3.837 3.203 2.299 1.00 0.00 H new ATOM 0 HB2 ALA B 638 -2.984 4.469 1.383 1.00 0.00 H new ATOM 0 HB3 ALA B 638 -4.668 4.059 0.978 1.00 0.00 H new ATOM 1631 N GLU B 639 -4.920 1.303 -0.841 1.00 0.00 N ATOM 1632 CA GLU B 639 -5.927 0.201 -0.940 1.00 0.00 C ATOM 1633 C GLU B 639 -5.254 -1.140 -1.272 1.00 0.00 C ATOM 1634 O GLU B 639 -5.776 -2.188 -0.939 1.00 0.00 O ATOM 1635 CB GLU B 639 -6.957 0.541 -2.020 1.00 0.00 C ATOM 1636 CG GLU B 639 -8.075 -0.502 -2.008 1.00 0.00 C ATOM 1637 CD GLU B 639 -9.122 -0.138 -3.063 1.00 0.00 C ATOM 1638 OE1 GLU B 639 -8.730 0.307 -4.130 1.00 0.00 O ATOM 1639 OE2 GLU B 639 -10.298 -0.310 -2.786 1.00 0.00 O ATOM 0 H GLU B 639 -4.832 1.888 -1.672 1.00 0.00 H new ATOM 0 HA GLU B 639 -6.422 0.104 0.026 1.00 0.00 H new ATOM 0 HB2 GLU B 639 -7.370 1.534 -1.843 1.00 0.00 H new ATOM 0 HB3 GLU B 639 -6.478 0.565 -2.999 1.00 0.00 H new ATOM 0 HG2 GLU B 639 -7.666 -1.492 -2.212 1.00 0.00 H new ATOM 0 HG3 GLU B 639 -8.537 -0.545 -1.021 1.00 0.00 H new ATOM 1646 N ASP B 640 -4.095 -1.147 -1.875 1.00 0.00 N ATOM 1647 CA ASP B 640 -3.429 -2.460 -2.156 1.00 0.00 C ATOM 1648 C ASP B 640 -2.632 -2.866 -0.916 1.00 0.00 C ATOM 1649 O ASP B 640 -2.894 -3.886 -0.311 1.00 0.00 O ATOM 1650 CB ASP B 640 -2.503 -2.342 -3.369 1.00 0.00 C ATOM 1651 CG ASP B 640 -1.849 -3.697 -3.645 1.00 0.00 C ATOM 1652 OD1 ASP B 640 -2.564 -4.613 -4.015 1.00 0.00 O ATOM 1653 OD2 ASP B 640 -0.644 -3.795 -3.482 1.00 0.00 O ATOM 0 H ASP B 640 -3.585 -0.319 -2.182 1.00 0.00 H new ATOM 0 HA ASP B 640 -4.180 -3.217 -2.383 1.00 0.00 H new ATOM 0 HB2 ASP B 640 -3.069 -2.015 -4.241 1.00 0.00 H new ATOM 0 HB3 ASP B 640 -1.738 -1.588 -3.184 1.00 0.00 H new ATOM 1658 N VAL B 641 -1.690 -2.068 -0.506 1.00 0.00 N ATOM 1659 CA VAL B 641 -0.915 -2.402 0.724 1.00 0.00 C ATOM 1660 C VAL B 641 -1.901 -2.772 1.844 1.00 0.00 C ATOM 1661 O VAL B 641 -1.788 -3.817 2.453 1.00 0.00 O ATOM 1662 CB VAL B 641 -0.087 -1.179 1.127 1.00 0.00 C ATOM 1663 CG1 VAL B 641 -1.011 -0.004 1.453 1.00 0.00 C ATOM 1664 CG2 VAL B 641 0.770 -1.523 2.346 1.00 0.00 C ATOM 0 H VAL B 641 -1.421 -1.199 -0.967 1.00 0.00 H new ATOM 0 HA VAL B 641 -0.247 -3.244 0.544 1.00 0.00 H new ATOM 0 HB VAL B 641 0.561 -0.895 0.298 1.00 0.00 H new ATOM 0 HG11 VAL B 641 -0.413 0.861 1.739 1.00 0.00 H new ATOM 0 HG12 VAL B 641 -1.610 0.242 0.576 1.00 0.00 H new ATOM 0 HG13 VAL B 641 -1.670 -0.277 2.277 1.00 0.00 H new ATOM 0 HG21 VAL B 641 1.360 -0.653 2.633 1.00 0.00 H new ATOM 0 HG22 VAL B 641 0.124 -1.813 3.175 1.00 0.00 H new ATOM 0 HG23 VAL B 641 1.438 -2.349 2.100 1.00 0.00 H new ATOM 1674 N GLN B 642 -2.870 -1.935 2.116 1.00 0.00 N ATOM 1675 CA GLN B 642 -3.854 -2.262 3.188 1.00 0.00 C ATOM 1676 C GLN B 642 -4.477 -3.629 2.895 1.00 0.00 C ATOM 1677 O GLN B 642 -4.776 -4.390 3.793 1.00 0.00 O ATOM 1678 CB GLN B 642 -4.947 -1.188 3.229 1.00 0.00 C ATOM 1679 CG GLN B 642 -5.883 -1.440 4.415 1.00 0.00 C ATOM 1680 CD GLN B 642 -5.119 -1.226 5.724 1.00 0.00 C ATOM 1681 OE1 GLN B 642 -4.744 -2.174 6.384 1.00 0.00 O ATOM 1682 NE2 GLN B 642 -4.873 -0.011 6.129 1.00 0.00 N ATOM 0 H GLN B 642 -3.021 -1.044 1.644 1.00 0.00 H new ATOM 0 HA GLN B 642 -3.351 -2.291 4.154 1.00 0.00 H new ATOM 0 HB2 GLN B 642 -4.495 -0.200 3.315 1.00 0.00 H new ATOM 0 HB3 GLN B 642 -5.514 -1.199 2.298 1.00 0.00 H new ATOM 0 HG2 GLN B 642 -6.738 -0.766 4.366 1.00 0.00 H new ATOM 0 HG3 GLN B 642 -6.275 -2.456 4.373 1.00 0.00 H new ATOM 0 HE21 GLN B 642 -5.188 0.785 5.574 1.00 0.00 H new ATOM 0 HE22 GLN B 642 -4.366 0.143 7.000 1.00 0.00 H new ATOM 1691 N LEU B 643 -4.645 -3.960 1.642 1.00 0.00 N ATOM 1692 CA LEU B 643 -5.213 -5.294 1.293 1.00 0.00 C ATOM 1693 C LEU B 643 -4.113 -6.348 1.446 1.00 0.00 C ATOM 1694 O LEU B 643 -4.388 -7.511 1.657 1.00 0.00 O ATOM 1695 CB LEU B 643 -5.724 -5.281 -0.153 1.00 0.00 C ATOM 1696 CG LEU B 643 -6.578 -6.538 -0.429 1.00 0.00 C ATOM 1697 CD1 LEU B 643 -8.022 -6.314 0.037 1.00 0.00 C ATOM 1698 CD2 LEU B 643 -6.586 -6.836 -1.933 1.00 0.00 C ATOM 0 H LEU B 643 -4.414 -3.365 0.847 1.00 0.00 H new ATOM 0 HA LEU B 643 -6.047 -5.527 1.955 1.00 0.00 H new ATOM 0 HB2 LEU B 643 -6.317 -4.384 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU B 643 -4.882 -5.246 -0.844 1.00 0.00 H new ATOM 0 HG LEU B 643 -6.147 -7.377 0.117 1.00 0.00 H new ATOM 0 HD11 LEU B 643 -8.612 -7.208 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU B 643 -8.031 -6.106 1.107 1.00 0.00 H new ATOM 0 HD13 LEU B 643 -8.451 -5.468 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU B 643 -7.189 -7.723 -2.125 1.00 0.00 H new ATOM 0 HD22 LEU B 643 -7.009 -5.987 -2.470 1.00 0.00 H new ATOM 0 HD23 LEU B 643 -5.566 -7.010 -2.275 1.00 0.00 H new ATOM 1710 N ALA B 644 -2.871 -5.951 1.380 1.00 0.00 N ATOM 1711 CA ALA B 644 -1.763 -6.936 1.565 1.00 0.00 C ATOM 1712 C ALA B 644 -1.448 -7.044 3.060 1.00 0.00 C ATOM 1713 O ALA B 644 -1.447 -8.119 3.627 1.00 0.00 O ATOM 1714 CB ALA B 644 -0.520 -6.473 0.804 1.00 0.00 C ATOM 0 H ALA B 644 -2.575 -4.991 1.207 1.00 0.00 H new ATOM 0 HA ALA B 644 -2.065 -7.909 1.178 1.00 0.00 H new ATOM 0 HB1 ALA B 644 0.283 -7.197 0.944 1.00 0.00 H new ATOM 0 HB2 ALA B 644 -0.753 -6.391 -0.258 1.00 0.00 H new ATOM 0 HB3 ALA B 644 -0.203 -5.501 1.182 1.00 0.00 H new ATOM 1720 N LEU B 645 -1.194 -5.939 3.706 1.00 0.00 N ATOM 1721 CA LEU B 645 -0.893 -5.978 5.167 1.00 0.00 C ATOM 1722 C LEU B 645 -2.040 -6.671 5.910 1.00 0.00 C ATOM 1723 O LEU B 645 -1.850 -7.237 6.968 1.00 0.00 O ATOM 1724 CB LEU B 645 -0.748 -4.547 5.702 1.00 0.00 C ATOM 1725 CG LEU B 645 0.561 -3.907 5.208 1.00 0.00 C ATOM 1726 CD1 LEU B 645 0.596 -2.444 5.667 1.00 0.00 C ATOM 1727 CD2 LEU B 645 1.778 -4.654 5.792 1.00 0.00 C ATOM 0 H LEU B 645 -1.182 -5.010 3.286 1.00 0.00 H new ATOM 0 HA LEU B 645 0.035 -6.527 5.325 1.00 0.00 H new ATOM 0 HB2 LEU B 645 -1.597 -3.945 5.378 1.00 0.00 H new ATOM 0 HB3 LEU B 645 -0.763 -4.558 6.792 1.00 0.00 H new ATOM 0 HG LEU B 645 0.604 -3.965 4.120 1.00 0.00 H new ATOM 0 HD11 LEU B 645 1.519 -1.977 5.324 1.00 0.00 H new ATOM 0 HD12 LEU B 645 -0.258 -1.911 5.249 1.00 0.00 H new ATOM 0 HD13 LEU B 645 0.552 -2.403 6.755 1.00 0.00 H new ATOM 0 HD21 LEU B 645 2.697 -4.189 5.433 1.00 0.00 H new ATOM 0 HD22 LEU B 645 1.747 -4.604 6.880 1.00 0.00 H new ATOM 0 HD23 LEU B 645 1.751 -5.697 5.475 1.00 0.00 H new ATOM 1739 N ASN B 646 -3.232 -6.626 5.375 1.00 0.00 N ATOM 1740 CA ASN B 646 -4.391 -7.277 6.061 1.00 0.00 C ATOM 1741 C ASN B 646 -4.587 -8.699 5.528 1.00 0.00 C ATOM 1742 O ASN B 646 -5.393 -9.454 6.036 1.00 0.00 O ATOM 1743 CB ASN B 646 -5.658 -6.461 5.792 1.00 0.00 C ATOM 1744 CG ASN B 646 -5.508 -5.064 6.399 1.00 0.00 C ATOM 1745 OD1 ASN B 646 -6.206 -4.146 6.016 1.00 0.00 O ATOM 1746 ND2 ASN B 646 -4.622 -4.862 7.335 1.00 0.00 N ATOM 0 H ASN B 646 -3.455 -6.167 4.492 1.00 0.00 H new ATOM 0 HA ASN B 646 -4.194 -7.320 7.132 1.00 0.00 H new ATOM 0 HB2 ASN B 646 -5.833 -6.385 4.719 1.00 0.00 H new ATOM 0 HB3 ASN B 646 -6.525 -6.964 6.221 1.00 0.00 H new ATOM 0 HD21 ASN B 646 -4.516 -3.934 7.745 1.00 0.00 H new ATOM 0 HD22 ASN B 646 -4.036 -5.632 7.657 1.00 0.00 H new ATOM 1753 N LYS B 647 -3.865 -9.073 4.505 1.00 0.00 N ATOM 1754 CA LYS B 647 -4.021 -10.449 3.938 1.00 0.00 C ATOM 1755 C LYS B 647 -3.011 -11.400 4.585 1.00 0.00 C ATOM 1756 O LYS B 647 -3.109 -12.603 4.438 1.00 0.00 O ATOM 1757 CB LYS B 647 -3.778 -10.400 2.426 1.00 0.00 C ATOM 1758 CG LYS B 647 -3.766 -11.823 1.856 1.00 0.00 C ATOM 1759 CD LYS B 647 -3.895 -11.762 0.333 1.00 0.00 C ATOM 1760 CE LYS B 647 -3.937 -13.183 -0.233 1.00 0.00 C ATOM 1761 NZ LYS B 647 -2.648 -13.874 0.062 1.00 0.00 N ATOM 0 H LYS B 647 -3.174 -8.487 4.036 1.00 0.00 H new ATOM 0 HA LYS B 647 -5.029 -10.810 4.140 1.00 0.00 H new ATOM 0 HB2 LYS B 647 -4.557 -9.811 1.942 1.00 0.00 H new ATOM 0 HB3 LYS B 647 -2.829 -9.906 2.217 1.00 0.00 H new ATOM 0 HG2 LYS B 647 -2.842 -12.330 2.134 1.00 0.00 H new ATOM 0 HG3 LYS B 647 -4.587 -12.403 2.278 1.00 0.00 H new ATOM 0 HD2 LYS B 647 -4.800 -11.222 0.055 1.00 0.00 H new ATOM 0 HD3 LYS B 647 -3.054 -11.214 -0.092 1.00 0.00 H new ATOM 0 HE2 LYS B 647 -4.767 -13.736 0.206 1.00 0.00 H new ATOM 0 HE3 LYS B 647 -4.108 -13.152 -1.309 1.00 0.00 H new ATOM 0 HZ1 LYS B 647 -2.607 -14.771 -0.463 1.00 0.00 H new ATOM 0 HZ2 LYS B 647 -1.855 -13.267 -0.227 1.00 0.00 H new ATOM 0 HZ3 LYS B 647 -2.583 -14.066 1.082 1.00 0.00 H new ATOM 1775 N HIS B 648 -2.037 -10.875 5.293 1.00 0.00 N ATOM 1776 CA HIS B 648 -1.005 -11.750 5.946 1.00 0.00 C ATOM 1777 C HIS B 648 -1.074 -11.591 7.465 1.00 0.00 C ATOM 1778 O HIS B 648 -0.167 -11.973 8.178 1.00 0.00 O ATOM 1779 CB HIS B 648 0.380 -11.321 5.464 1.00 0.00 C ATOM 1780 CG HIS B 648 0.449 -11.460 3.970 1.00 0.00 C ATOM 1781 ND1 HIS B 648 -0.470 -12.211 3.255 1.00 0.00 N ATOM 1782 CD2 HIS B 648 1.318 -10.948 3.042 1.00 0.00 C ATOM 1783 CE1 HIS B 648 -0.135 -12.130 1.954 1.00 0.00 C ATOM 1784 NE2 HIS B 648 0.949 -11.371 1.769 1.00 0.00 N ATOM 0 H HIS B 648 -1.911 -9.875 5.448 1.00 0.00 H new ATOM 0 HA HIS B 648 -1.193 -12.791 5.684 1.00 0.00 H new ATOM 0 HB2 HIS B 648 0.575 -10.289 5.754 1.00 0.00 H new ATOM 0 HB3 HIS B 648 1.148 -11.935 5.934 1.00 0.00 H new ATOM 0 HD1 HIS B 648 -1.257 -12.731 3.644 1.00 0.00 H new ATOM 0 HD2 HIS B 648 2.162 -10.312 3.265 1.00 0.00 H new ATOM 0 HE1 HIS B 648 -0.676 -12.619 1.157 1.00 0.00 H new ATOM 1792 N MET B 649 -2.137 -11.020 7.968 1.00 0.00 N ATOM 1793 CA MET B 649 -2.261 -10.821 9.446 1.00 0.00 C ATOM 1794 C MET B 649 -3.086 -11.959 10.050 1.00 0.00 C ATOM 1795 O MET B 649 -4.296 -11.985 9.946 1.00 0.00 O ATOM 1796 CB MET B 649 -2.957 -9.481 9.716 1.00 0.00 C ATOM 1797 CG MET B 649 -2.974 -9.183 11.223 1.00 0.00 C ATOM 1798 SD MET B 649 -3.072 -7.392 11.476 1.00 0.00 S ATOM 1799 CE MET B 649 -1.290 -7.074 11.559 1.00 0.00 C ATOM 0 H MET B 649 -2.927 -10.682 7.419 1.00 0.00 H new ATOM 0 HA MET B 649 -1.270 -10.817 9.900 1.00 0.00 H new ATOM 0 HB2 MET B 649 -2.439 -8.681 9.186 1.00 0.00 H new ATOM 0 HB3 MET B 649 -3.977 -9.509 9.332 1.00 0.00 H new ATOM 0 HG2 MET B 649 -3.825 -9.676 11.694 1.00 0.00 H new ATOM 0 HG3 MET B 649 -2.075 -9.580 11.694 1.00 0.00 H new ATOM 0 HE1 MET B 649 -1.117 -6.009 11.714 1.00 0.00 H new ATOM 0 HE2 MET B 649 -0.858 -7.636 12.387 1.00 0.00 H new ATOM 0 HE3 MET B 649 -0.821 -7.385 10.626 1.00 0.00 H new ATOM 1809 N ASN B 650 -2.441 -12.902 10.682 1.00 0.00 N ATOM 1810 CA ASN B 650 -3.190 -14.036 11.293 1.00 0.00 C ATOM 1811 C ASN B 650 -4.004 -13.527 12.484 1.00 0.00 C ATOM 1812 O ASN B 650 -4.697 -14.329 13.089 1.00 0.00 O ATOM 1813 CB ASN B 650 -2.202 -15.102 11.770 1.00 0.00 C ATOM 1814 CG ASN B 650 -1.335 -15.557 10.594 1.00 0.00 C ATOM 1815 OD1 ASN B 650 -0.181 -15.191 10.498 1.00 0.00 O ATOM 1816 ND2 ASN B 650 -1.846 -16.347 9.689 1.00 0.00 N ATOM 1817 OXT ASN B 650 -3.922 -12.344 12.771 1.00 0.00 O ATOM 0 H ASN B 650 -1.429 -12.936 10.801 1.00 0.00 H new ATOM 0 HA ASN B 650 -3.862 -14.469 10.552 1.00 0.00 H new ATOM 0 HB2 ASN B 650 -1.574 -14.701 12.565 1.00 0.00 H new ATOM 0 HB3 ASN B 650 -2.741 -15.952 12.188 1.00 0.00 H new ATOM 0 HD21 ASN B 650 -1.276 -16.657 8.902 1.00 0.00 H new ATOM 0 HD22 ASN B 650 -2.815 -16.655 9.769 1.00 0.00 H new