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+ -148:sc= -0.213 (180deg=-1.49!) USER MOD Single : A 306 MET CE :methyl 174:sc= -0.702 (180deg=-0.721) USER MOD Single : A 307 ASN : amide:sc= -0.92 K(o=-0.92,f=-0.15) USER MOD Single : A 308 GLN : amide:sc= 0 K(o=0,f=-0.58) 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 -52:sc= 1.2 USER MOD Single : B 620 CYS SG : rot 180:sc= -0.597 USER MOD Single : B 621 SER OG : rot -23:sc= 0.531 USER MOD Single : B 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 626 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0847) USER MOD Single : B 628 LYS NZ :NH3+ 145:sc= -0.504 (180deg=-1.02) USER MOD Single : B 630 SER OG : rot 180:sc=-0.00221 USER MOD Single : B 637 ASN : amide:sc= -4.62! K(o=-4.6!,f=-0.59) USER MOD Single : B 642 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.2) USER MOD Single : B 646 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.5!) USER MOD Single : B 647 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 648 HIS : no HD1:sc= -2.18 K(o=-2.2,f=-4.2) USER MOD Single : B 649 MET CE :methyl 149:sc= -0.293 (180deg=-1.39!) USER MOD Single : B 650 ASN : amide:sc=-0.00229 X(o=-0.0023,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 338 N GLU A 301 18.502 -4.128 -0.642 1.00 0.00 N ATOM 339 CA GLU A 301 18.152 -5.112 -1.711 1.00 0.00 C ATOM 340 C GLU A 301 16.640 -5.110 -1.840 1.00 0.00 C ATOM 341 O GLU A 301 16.062 -5.417 -2.866 1.00 0.00 O ATOM 342 CB GLU A 301 18.602 -6.503 -1.257 1.00 0.00 C ATOM 343 CG GLU A 301 18.114 -7.553 -2.257 1.00 0.00 C ATOM 344 CD GLU A 301 18.844 -8.873 -2.009 1.00 0.00 C ATOM 345 OE1 GLU A 301 20.016 -8.825 -1.675 1.00 0.00 O ATOM 346 OE2 GLU A 301 18.218 -9.911 -2.155 1.00 0.00 O ATOM 0 HA GLU A 301 18.630 -4.858 -2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 301 19.689 -6.537 -1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 301 18.205 -6.719 -0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 301 17.038 -7.696 -2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 301 18.295 -7.211 -3.276 1.00 0.00 H new ATOM 353 N PHE A 302 16.014 -4.728 -0.768 1.00 0.00 N ATOM 354 CA PHE A 302 14.532 -4.658 -0.735 1.00 0.00 C ATOM 355 C PHE A 302 14.049 -3.496 -1.601 1.00 0.00 C ATOM 356 O PHE A 302 13.392 -3.690 -2.606 1.00 0.00 O ATOM 357 CB PHE A 302 14.071 -4.453 0.710 1.00 0.00 C ATOM 358 CG PHE A 302 12.569 -4.296 0.754 1.00 0.00 C ATOM 359 CD1 PHE A 302 11.746 -5.429 0.759 1.00 0.00 C ATOM 360 CD2 PHE A 302 12.001 -3.017 0.798 1.00 0.00 C ATOM 361 CE1 PHE A 302 10.354 -5.282 0.807 1.00 0.00 C ATOM 362 CE2 PHE A 302 10.610 -2.871 0.846 1.00 0.00 C ATOM 363 CZ PHE A 302 9.786 -4.003 0.850 1.00 0.00 C ATOM 0 H PHE A 302 16.474 -4.457 0.101 1.00 0.00 H new ATOM 0 HA PHE A 302 14.114 -5.587 -1.124 1.00 0.00 H new ATOM 0 HB2 PHE A 302 14.374 -5.303 1.322 1.00 0.00 H new ATOM 0 HB3 PHE A 302 14.550 -3.569 1.132 1.00 0.00 H new ATOM 0 HD1 PHE A 302 12.184 -6.415 0.726 1.00 0.00 H new ATOM 0 HD2 PHE A 302 12.636 -2.143 0.795 1.00 0.00 H new ATOM 0 HE1 PHE A 302 9.719 -6.155 0.811 1.00 0.00 H new ATOM 0 HE2 PHE A 302 10.172 -1.884 0.880 1.00 0.00 H new ATOM 0 HZ PHE A 302 8.713 -3.890 0.886 1.00 0.00 H new ATOM 373 N CYS A 303 14.364 -2.290 -1.222 1.00 0.00 N ATOM 374 CA CYS A 303 13.917 -1.121 -2.027 1.00 0.00 C ATOM 375 C CYS A 303 14.620 -1.139 -3.388 1.00 0.00 C ATOM 376 O CYS A 303 13.995 -1.039 -4.424 1.00 0.00 O ATOM 377 CB CYS A 303 14.257 0.170 -1.277 1.00 0.00 C ATOM 378 SG CYS A 303 13.198 1.510 -1.870 1.00 0.00 S ATOM 0 H CYS A 303 14.911 -2.063 -0.391 1.00 0.00 H new ATOM 0 HA CYS A 303 12.839 -1.171 -2.183 1.00 0.00 H new ATOM 0 HB2 CYS A 303 14.116 0.028 -0.205 1.00 0.00 H new ATOM 0 HB3 CYS A 303 15.305 0.426 -1.430 1.00 0.00 H new ATOM 383 N SER A 304 15.920 -1.258 -3.387 1.00 0.00 N ATOM 384 CA SER A 304 16.673 -1.276 -4.673 1.00 0.00 C ATOM 385 C SER A 304 16.029 -2.266 -5.648 1.00 0.00 C ATOM 386 O SER A 304 16.119 -2.107 -6.854 1.00 0.00 O ATOM 387 CB SER A 304 18.119 -1.692 -4.407 1.00 0.00 C ATOM 388 OG SER A 304 18.675 -0.848 -3.407 1.00 0.00 O ATOM 0 H SER A 304 16.494 -1.344 -2.548 1.00 0.00 H new ATOM 0 HA SER A 304 16.650 -0.279 -5.113 1.00 0.00 H new ATOM 0 HB2 SER A 304 18.156 -2.732 -4.083 1.00 0.00 H new ATOM 0 HB3 SER A 304 18.704 -1.622 -5.324 1.00 0.00 H new ATOM 0 HG SER A 304 19.602 -1.114 -3.233 1.00 0.00 H new ATOM 394 N LYS A 305 15.328 -3.260 -5.144 1.00 0.00 N ATOM 395 CA LYS A 305 14.640 -4.230 -6.059 1.00 0.00 C ATOM 396 C LYS A 305 13.163 -3.857 -6.124 1.00 0.00 C ATOM 397 O LYS A 305 12.438 -4.276 -7.015 1.00 0.00 O ATOM 398 CB LYS A 305 14.816 -5.673 -5.571 1.00 0.00 C ATOM 399 CG LYS A 305 16.313 -6.011 -5.435 1.00 0.00 C ATOM 400 CD LYS A 305 16.893 -6.450 -6.795 1.00 0.00 C ATOM 401 CE LYS A 305 16.670 -7.952 -7.009 1.00 0.00 C ATOM 402 NZ LYS A 305 17.318 -8.713 -5.903 1.00 0.00 N ATOM 0 H LYS A 305 15.204 -3.439 -4.148 1.00 0.00 H new ATOM 0 HA LYS A 305 15.084 -4.174 -7.053 1.00 0.00 H new ATOM 0 HB2 LYS A 305 14.318 -5.803 -4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 305 14.343 -6.361 -6.271 1.00 0.00 H new ATOM 0 HG2 LYS A 305 16.856 -5.141 -5.065 1.00 0.00 H new ATOM 0 HG3 LYS A 305 16.447 -6.806 -4.702 1.00 0.00 H new ATOM 0 HD2 LYS A 305 16.419 -5.887 -7.599 1.00 0.00 H new ATOM 0 HD3 LYS A 305 17.959 -6.225 -6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 305 15.603 -8.171 -7.039 1.00 0.00 H new ATOM 0 HE3 LYS A 305 17.086 -8.259 -7.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 305 17.653 -9.630 -6.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 305 18.125 -8.170 -5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 305 16.629 -8.871 -5.140 1.00 0.00 H new ATOM 416 N MET A 306 12.713 -3.020 -5.235 1.00 0.00 N ATOM 417 CA MET A 306 11.300 -2.591 -5.304 1.00 0.00 C ATOM 418 C MET A 306 11.169 -1.616 -6.463 1.00 0.00 C ATOM 419 O MET A 306 10.113 -1.487 -7.051 1.00 0.00 O ATOM 420 CB MET A 306 10.885 -1.914 -3.996 1.00 0.00 C ATOM 421 CG MET A 306 9.363 -1.765 -3.953 1.00 0.00 C ATOM 422 SD MET A 306 8.863 -1.214 -2.304 1.00 0.00 S ATOM 423 CE MET A 306 7.209 -1.946 -2.314 1.00 0.00 C ATOM 0 H MET A 306 13.259 -2.620 -4.472 1.00 0.00 H new ATOM 0 HA MET A 306 10.650 -3.453 -5.455 1.00 0.00 H new ATOM 0 HB2 MET A 306 11.226 -2.504 -3.146 1.00 0.00 H new ATOM 0 HB3 MET A 306 11.358 -0.935 -3.916 1.00 0.00 H new ATOM 0 HG2 MET A 306 9.035 -1.046 -4.704 1.00 0.00 H new ATOM 0 HG3 MET A 306 8.886 -2.716 -4.192 1.00 0.00 H new ATOM 0 HE1 MET A 306 6.749 -1.818 -1.334 1.00 0.00 H new ATOM 0 HE2 MET A 306 6.597 -1.453 -3.070 1.00 0.00 H new ATOM 0 HE3 MET A 306 7.283 -3.009 -2.544 1.00 0.00 H new ATOM 433 N ASN A 307 12.240 -0.942 -6.833 1.00 0.00 N ATOM 434 CA ASN A 307 12.143 -0.006 -7.992 1.00 0.00 C ATOM 435 C ASN A 307 12.404 -0.843 -9.244 1.00 0.00 C ATOM 436 O ASN A 307 11.762 -0.690 -10.263 1.00 0.00 O ATOM 437 CB ASN A 307 13.182 1.110 -7.869 1.00 0.00 C ATOM 438 CG ASN A 307 13.060 2.055 -9.065 1.00 0.00 C ATOM 439 OD1 ASN A 307 12.513 3.134 -8.950 1.00 0.00 O ATOM 440 ND2 ASN A 307 13.549 1.691 -10.219 1.00 0.00 N ATOM 0 H ASN A 307 13.156 -1.001 -6.389 1.00 0.00 H new ATOM 0 HA ASN A 307 11.163 0.470 -8.032 1.00 0.00 H new ATOM 0 HB2 ASN A 307 13.032 1.660 -6.940 1.00 0.00 H new ATOM 0 HB3 ASN A 307 14.185 0.685 -7.829 1.00 0.00 H new ATOM 0 HD21 ASN A 307 13.472 2.312 -11.024 1.00 0.00 H new ATOM 0 HD22 ASN A 307 14.008 0.785 -10.316 1.00 0.00 H new ATOM 447 N GLN A 308 13.360 -1.752 -9.135 1.00 0.00 N ATOM 448 CA GLN A 308 13.709 -2.664 -10.275 1.00 0.00 C ATOM 449 C GLN A 308 12.446 -3.044 -11.048 1.00 0.00 C ATOM 450 O GLN A 308 12.438 -3.066 -12.263 1.00 0.00 O ATOM 451 CB GLN A 308 14.340 -3.942 -9.711 1.00 0.00 C ATOM 452 CG GLN A 308 14.534 -4.967 -10.834 1.00 0.00 C ATOM 453 CD GLN A 308 15.500 -6.059 -10.372 1.00 0.00 C ATOM 454 OE1 GLN A 308 15.120 -6.951 -9.640 1.00 0.00 O ATOM 455 NE2 GLN A 308 16.743 -6.025 -10.768 1.00 0.00 N ATOM 0 H GLN A 308 13.916 -1.897 -8.292 1.00 0.00 H new ATOM 0 HA GLN A 308 14.404 -2.154 -10.943 1.00 0.00 H new ATOM 0 HB2 GLN A 308 15.299 -3.711 -9.248 1.00 0.00 H new ATOM 0 HB3 GLN A 308 13.702 -4.360 -8.932 1.00 0.00 H new ATOM 0 HG2 GLN A 308 13.575 -5.408 -11.107 1.00 0.00 H new ATOM 0 HG3 GLN A 308 14.924 -4.475 -11.725 1.00 0.00 H new ATOM 0 HE21 GLN A 308 17.062 -5.276 -11.383 1.00 0.00 H new ATOM 0 HE22 GLN A 308 17.395 -6.747 -10.463 1.00 0.00 H new ATOM 464 N VAL A 309 11.375 -3.346 -10.351 1.00 0.00 N ATOM 465 CA VAL A 309 10.107 -3.722 -11.057 1.00 0.00 C ATOM 466 C VAL A 309 9.850 -2.738 -12.210 1.00 0.00 C ATOM 467 O VAL A 309 9.080 -2.995 -13.114 1.00 0.00 O ATOM 468 CB VAL A 309 8.932 -3.663 -10.074 1.00 0.00 C ATOM 469 CG1 VAL A 309 7.706 -4.322 -10.711 1.00 0.00 C ATOM 470 CG2 VAL A 309 9.306 -4.418 -8.795 1.00 0.00 C ATOM 0 H VAL A 309 11.324 -3.349 -9.332 1.00 0.00 H new ATOM 0 HA VAL A 309 10.203 -4.734 -11.451 1.00 0.00 H new ATOM 0 HB VAL A 309 8.706 -2.624 -9.834 1.00 0.00 H new ATOM 0 HG11 VAL A 309 6.868 -4.282 -10.015 1.00 0.00 H new ATOM 0 HG12 VAL A 309 7.443 -3.792 -11.626 1.00 0.00 H new ATOM 0 HG13 VAL A 309 7.933 -5.362 -10.946 1.00 0.00 H new ATOM 0 HG21 VAL A 309 8.473 -4.379 -8.093 1.00 0.00 H new ATOM 0 HG22 VAL A 309 9.527 -5.457 -9.038 1.00 0.00 H new ATOM 0 HG23 VAL A 309 10.184 -3.956 -8.343 1.00 0.00 H new ATOM 480 N CYS A 310 10.515 -1.619 -12.175 1.00 0.00 N ATOM 481 CA CYS A 310 10.355 -0.595 -13.246 1.00 0.00 C ATOM 482 C CYS A 310 11.352 -0.877 -14.377 1.00 0.00 C ATOM 483 O CYS A 310 11.595 -0.041 -15.224 1.00 0.00 O ATOM 484 CB CYS A 310 10.613 0.801 -12.642 1.00 0.00 C ATOM 485 SG CYS A 310 9.459 2.004 -13.357 1.00 0.00 S ATOM 0 H CYS A 310 11.173 -1.365 -11.438 1.00 0.00 H new ATOM 0 HA CYS A 310 9.345 -0.632 -13.653 1.00 0.00 H new ATOM 0 HB2 CYS A 310 10.492 0.767 -11.559 1.00 0.00 H new ATOM 0 HB3 CYS A 310 11.640 1.108 -12.838 1.00 0.00 H new ATOM 490 N GLY A 311 11.930 -2.047 -14.400 1.00 0.00 N ATOM 491 CA GLY A 311 12.904 -2.372 -15.480 1.00 0.00 C ATOM 492 C GLY A 311 12.144 -2.698 -16.767 1.00 0.00 C ATOM 493 O GLY A 311 11.397 -3.655 -16.832 1.00 0.00 O ATOM 0 H GLY A 311 11.770 -2.790 -13.720 1.00 0.00 H new ATOM 0 HA2 GLY A 311 13.576 -1.530 -15.645 1.00 0.00 H new ATOM 0 HA3 GLY A 311 13.522 -3.220 -15.185 1.00 0.00 H new ATOM 928 N GLY B 593 -7.462 6.785 -0.084 1.00 0.00 N ATOM 929 CA GLY B 593 -6.263 6.748 0.793 1.00 0.00 C ATOM 930 C GLY B 593 -5.231 7.745 0.268 1.00 0.00 C ATOM 931 O GLY B 593 -5.571 8.768 -0.291 1.00 0.00 O ATOM 0 HA2 GLY B 593 -6.539 6.996 1.818 1.00 0.00 H new ATOM 0 HA3 GLY B 593 -5.841 5.743 0.811 1.00 0.00 H new ATOM 935 N SER B 594 -3.971 7.446 0.446 1.00 0.00 N ATOM 936 CA SER B 594 -2.883 8.356 -0.036 1.00 0.00 C ATOM 937 C SER B 594 -1.929 7.593 -0.948 1.00 0.00 C ATOM 938 O SER B 594 -1.929 6.379 -1.005 1.00 0.00 O ATOM 939 CB SER B 594 -2.085 8.905 1.143 1.00 0.00 C ATOM 940 OG SER B 594 -2.910 9.775 1.908 1.00 0.00 O ATOM 0 H SER B 594 -3.643 6.599 0.911 1.00 0.00 H new ATOM 0 HA SER B 594 -3.347 9.178 -0.581 1.00 0.00 H new ATOM 0 HB2 SER B 594 -1.725 8.086 1.766 1.00 0.00 H new ATOM 0 HB3 SER B 594 -1.207 9.441 0.784 1.00 0.00 H new ATOM 0 HG SER B 594 -2.399 10.127 2.667 1.00 0.00 H new ATOM 946 N LEU B 595 -1.107 8.313 -1.652 1.00 0.00 N ATOM 947 CA LEU B 595 -0.120 7.683 -2.567 1.00 0.00 C ATOM 948 C LEU B 595 1.198 7.523 -1.813 1.00 0.00 C ATOM 949 O LEU B 595 1.727 8.482 -1.286 1.00 0.00 O ATOM 950 CB LEU B 595 0.094 8.614 -3.761 1.00 0.00 C ATOM 951 CG LEU B 595 -1.076 8.498 -4.752 1.00 0.00 C ATOM 952 CD1 LEU B 595 -1.078 7.115 -5.436 1.00 0.00 C ATOM 953 CD2 LEU B 595 -2.400 8.713 -4.006 1.00 0.00 C ATOM 0 H LEU B 595 -1.077 9.332 -1.632 1.00 0.00 H new ATOM 0 HA LEU B 595 -0.475 6.712 -2.911 1.00 0.00 H new ATOM 0 HB2 LEU B 595 0.184 9.644 -3.415 1.00 0.00 H new ATOM 0 HB3 LEU B 595 1.029 8.363 -4.262 1.00 0.00 H new ATOM 0 HG LEU B 595 -0.961 9.261 -5.522 1.00 0.00 H new ATOM 0 HD11 LEU B 595 -1.914 7.055 -6.133 1.00 0.00 H new ATOM 0 HD12 LEU B 595 -0.143 6.976 -5.978 1.00 0.00 H new ATOM 0 HD13 LEU B 595 -1.179 6.336 -4.681 1.00 0.00 H new ATOM 0 HD21 LEU B 595 -3.230 8.631 -4.707 1.00 0.00 H new ATOM 0 HD22 LEU B 595 -2.506 7.957 -3.228 1.00 0.00 H new ATOM 0 HD23 LEU B 595 -2.405 9.704 -3.552 1.00 0.00 H new ATOM 965 N LEU B 596 1.734 6.326 -1.748 1.00 0.00 N ATOM 966 CA LEU B 596 3.025 6.112 -1.014 1.00 0.00 C ATOM 967 C LEU B 596 4.015 5.368 -1.921 1.00 0.00 C ATOM 968 O LEU B 596 3.629 4.669 -2.836 1.00 0.00 O ATOM 969 CB LEU B 596 2.757 5.314 0.269 1.00 0.00 C ATOM 970 CG LEU B 596 1.472 5.844 0.966 1.00 0.00 C ATOM 971 CD1 LEU B 596 0.255 5.015 0.538 1.00 0.00 C ATOM 972 CD2 LEU B 596 1.625 5.742 2.491 1.00 0.00 C ATOM 0 H LEU B 596 1.334 5.488 -2.171 1.00 0.00 H new ATOM 0 HA LEU B 596 3.460 7.074 -0.742 1.00 0.00 H new ATOM 0 HB2 LEU B 596 2.642 4.256 0.032 1.00 0.00 H new ATOM 0 HB3 LEU B 596 3.608 5.399 0.944 1.00 0.00 H new ATOM 0 HG LEU B 596 1.327 6.884 0.675 1.00 0.00 H new ATOM 0 HD11 LEU B 596 -0.638 5.397 1.033 1.00 0.00 H new ATOM 0 HD12 LEU B 596 0.129 5.085 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU B 596 0.408 3.973 0.818 1.00 0.00 H new ATOM 0 HD21 LEU B 596 0.721 6.115 2.973 1.00 0.00 H new ATOM 0 HD22 LEU B 596 1.783 4.701 2.772 1.00 0.00 H new ATOM 0 HD23 LEU B 596 2.480 6.338 2.812 1.00 0.00 H new ATOM 984 N ARG B 597 5.296 5.552 -1.690 1.00 0.00 N ATOM 985 CA ARG B 597 6.334 4.899 -2.556 1.00 0.00 C ATOM 986 C ARG B 597 6.956 3.675 -1.865 1.00 0.00 C ATOM 987 O ARG B 597 6.304 2.947 -1.144 1.00 0.00 O ATOM 988 CB ARG B 597 7.446 5.910 -2.872 1.00 0.00 C ATOM 989 CG ARG B 597 6.839 7.235 -3.348 1.00 0.00 C ATOM 990 CD ARG B 597 7.935 8.299 -3.427 1.00 0.00 C ATOM 991 NE ARG B 597 8.970 7.877 -4.412 1.00 0.00 N ATOM 992 CZ ARG B 597 9.837 8.746 -4.858 1.00 0.00 C ATOM 993 NH1 ARG B 597 9.788 9.985 -4.449 1.00 0.00 N ATOM 994 NH2 ARG B 597 10.751 8.379 -5.714 1.00 0.00 N ATOM 0 H ARG B 597 5.669 6.129 -0.936 1.00 0.00 H new ATOM 0 HA ARG B 597 5.846 4.567 -3.472 1.00 0.00 H new ATOM 0 HB2 ARG B 597 8.056 6.079 -1.985 1.00 0.00 H new ATOM 0 HB3 ARG B 597 8.106 5.507 -3.640 1.00 0.00 H new ATOM 0 HG2 ARG B 597 6.374 7.104 -4.325 1.00 0.00 H new ATOM 0 HG3 ARG B 597 6.055 7.555 -2.662 1.00 0.00 H new ATOM 0 HD2 ARG B 597 7.506 9.256 -3.723 1.00 0.00 H new ATOM 0 HD3 ARG B 597 8.389 8.442 -2.446 1.00 0.00 H new ATOM 0 HE ARG B 597 9.001 6.911 -4.738 1.00 0.00 H new ATOM 0 HH11 ARG B 597 9.073 10.274 -3.781 1.00 0.00 H new ATOM 0 HH12 ARG B 597 10.465 10.664 -4.797 1.00 0.00 H new ATOM 0 HH21 ARG B 597 10.789 7.412 -6.036 1.00 0.00 H new ATOM 0 HH22 ARG B 597 11.427 9.059 -6.061 1.00 0.00 H new ATOM 1008 N CYS B 598 8.216 3.437 -2.130 1.00 0.00 N ATOM 1009 CA CYS B 598 8.929 2.252 -1.558 1.00 0.00 C ATOM 1010 C CYS B 598 9.144 2.398 -0.044 1.00 0.00 C ATOM 1011 O CYS B 598 8.232 2.217 0.738 1.00 0.00 O ATOM 1012 CB CYS B 598 10.280 2.124 -2.267 1.00 0.00 C ATOM 1013 SG CYS B 598 11.320 0.901 -1.434 1.00 0.00 S ATOM 0 H CYS B 598 8.793 4.026 -2.731 1.00 0.00 H new ATOM 0 HA CYS B 598 8.323 1.360 -1.714 1.00 0.00 H new ATOM 0 HB2 CYS B 598 10.126 1.832 -3.306 1.00 0.00 H new ATOM 0 HB3 CYS B 598 10.784 3.090 -2.279 1.00 0.00 H new ATOM 1018 N SER B 599 10.350 2.702 0.378 1.00 0.00 N ATOM 1019 CA SER B 599 10.631 2.835 1.844 1.00 0.00 C ATOM 1020 C SER B 599 9.520 3.650 2.504 1.00 0.00 C ATOM 1021 O SER B 599 9.326 3.624 3.714 1.00 0.00 O ATOM 1022 CB SER B 599 11.970 3.546 2.042 1.00 0.00 C ATOM 1023 OG SER B 599 12.989 2.819 1.369 1.00 0.00 O ATOM 0 H SER B 599 11.152 2.864 -0.231 1.00 0.00 H new ATOM 0 HA SER B 599 10.673 1.845 2.298 1.00 0.00 H new ATOM 0 HB2 SER B 599 11.916 4.563 1.654 1.00 0.00 H new ATOM 0 HB3 SER B 599 12.202 3.622 3.104 1.00 0.00 H new ATOM 0 HG SER B 599 13.849 3.272 1.492 1.00 0.00 H new ATOM 1029 N GLU B 600 8.780 4.365 1.710 1.00 0.00 N ATOM 1030 CA GLU B 600 7.670 5.178 2.252 1.00 0.00 C ATOM 1031 C GLU B 600 6.863 4.328 3.233 1.00 0.00 C ATOM 1032 O GLU B 600 6.414 4.781 4.273 1.00 0.00 O ATOM 1033 CB GLU B 600 6.766 5.601 1.084 1.00 0.00 C ATOM 1034 CG GLU B 600 5.962 6.851 1.469 1.00 0.00 C ATOM 1035 CD GLU B 600 6.898 8.055 1.598 1.00 0.00 C ATOM 1036 OE1 GLU B 600 7.503 8.420 0.603 1.00 0.00 O ATOM 1037 OE2 GLU B 600 6.993 8.593 2.689 1.00 0.00 O ATOM 0 H GLU B 600 8.900 4.419 0.699 1.00 0.00 H new ATOM 0 HA GLU B 600 8.057 6.058 2.766 1.00 0.00 H new ATOM 0 HB2 GLU B 600 7.371 5.805 0.201 1.00 0.00 H new ATOM 0 HB3 GLU B 600 6.088 4.788 0.825 1.00 0.00 H new ATOM 0 HG2 GLU B 600 5.201 7.051 0.715 1.00 0.00 H new ATOM 0 HG3 GLU B 600 5.441 6.682 2.411 1.00 0.00 H new ATOM 1044 N ILE B 601 6.655 3.079 2.884 1.00 0.00 N ATOM 1045 CA ILE B 601 5.856 2.203 3.767 1.00 0.00 C ATOM 1046 C ILE B 601 6.667 1.972 5.042 1.00 0.00 C ATOM 1047 O ILE B 601 6.136 1.870 6.121 1.00 0.00 O ATOM 1048 CB ILE B 601 5.549 0.869 3.023 1.00 0.00 C ATOM 1049 CG1 ILE B 601 4.114 0.891 2.474 1.00 0.00 C ATOM 1050 CG2 ILE B 601 5.685 -0.347 3.951 1.00 0.00 C ATOM 1051 CD1 ILE B 601 4.023 1.896 1.326 1.00 0.00 C ATOM 0 H ILE B 601 7.005 2.642 2.032 1.00 0.00 H new ATOM 0 HA ILE B 601 4.900 2.657 4.030 1.00 0.00 H new ATOM 0 HB ILE B 601 6.273 0.781 2.213 1.00 0.00 H new ATOM 0 HG12 ILE B 601 3.831 -0.102 2.125 1.00 0.00 H new ATOM 0 HG13 ILE B 601 3.415 1.162 3.265 1.00 0.00 H new ATOM 0 HG21 ILE B 601 5.463 -1.257 3.393 1.00 0.00 H new ATOM 0 HG22 ILE B 601 6.703 -0.398 4.337 1.00 0.00 H new ATOM 0 HG23 ILE B 601 4.986 -0.251 4.782 1.00 0.00 H new ATOM 0 HD11 ILE B 601 3.005 1.912 0.936 1.00 0.00 H new ATOM 0 HD12 ILE B 601 4.288 2.889 1.690 1.00 0.00 H new ATOM 0 HD13 ILE B 601 4.711 1.605 0.532 1.00 0.00 H new ATOM 1063 N TRP B 602 7.978 1.890 4.902 1.00 0.00 N ATOM 1064 CA TRP B 602 8.855 1.671 6.091 1.00 0.00 C ATOM 1065 C TRP B 602 8.352 2.567 7.210 1.00 0.00 C ATOM 1066 O TRP B 602 8.303 2.187 8.362 1.00 0.00 O ATOM 1067 CB TRP B 602 10.306 2.031 5.747 1.00 0.00 C ATOM 1068 CG TRP B 602 11.225 1.451 6.774 1.00 0.00 C ATOM 1069 CD1 TRP B 602 11.763 2.132 7.812 1.00 0.00 C ATOM 1070 CD2 TRP B 602 11.720 0.085 6.882 1.00 0.00 C ATOM 1071 NE1 TRP B 602 12.557 1.271 8.549 1.00 0.00 N ATOM 1072 CE2 TRP B 602 12.563 -0.003 8.014 1.00 0.00 C ATOM 1073 CE3 TRP B 602 11.522 -1.076 6.112 1.00 0.00 C ATOM 1074 CZ2 TRP B 602 13.188 -1.198 8.372 1.00 0.00 C ATOM 1075 CZ3 TRP B 602 12.150 -2.282 6.468 1.00 0.00 C ATOM 1076 CH2 TRP B 602 12.980 -2.341 7.596 1.00 0.00 C ATOM 0 H TRP B 602 8.471 1.966 4.012 1.00 0.00 H new ATOM 0 HA TRP B 602 8.825 0.625 6.397 1.00 0.00 H new ATOM 0 HB2 TRP B 602 10.561 1.649 4.759 1.00 0.00 H new ATOM 0 HB3 TRP B 602 10.423 3.114 5.710 1.00 0.00 H new ATOM 0 HD1 TRP B 602 11.599 3.177 8.030 1.00 0.00 H new ATOM 0 HE1 TRP B 602 13.074 1.543 9.385 1.00 0.00 H new ATOM 0 HE3 TRP B 602 10.883 -1.040 5.242 1.00 0.00 H new ATOM 0 HZ2 TRP B 602 13.827 -1.239 9.242 1.00 0.00 H new ATOM 0 HZ3 TRP B 602 11.992 -3.167 5.870 1.00 0.00 H new ATOM 0 HH2 TRP B 602 13.459 -3.271 7.865 1.00 0.00 H new ATOM 1087 N ASP B 603 7.932 3.751 6.859 1.00 0.00 N ATOM 1088 CA ASP B 603 7.375 4.664 7.888 1.00 0.00 C ATOM 1089 C ASP B 603 6.038 4.082 8.361 1.00 0.00 C ATOM 1090 O ASP B 603 5.748 4.049 9.541 1.00 0.00 O ATOM 1091 CB ASP B 603 7.153 6.051 7.279 1.00 0.00 C ATOM 1092 CG ASP B 603 6.810 7.047 8.387 1.00 0.00 C ATOM 1093 OD1 ASP B 603 7.494 7.039 9.396 1.00 0.00 O ATOM 1094 OD2 ASP B 603 5.867 7.802 8.207 1.00 0.00 O ATOM 0 H ASP B 603 7.951 4.122 5.909 1.00 0.00 H new ATOM 0 HA ASP B 603 8.064 4.759 8.728 1.00 0.00 H new ATOM 0 HB2 ASP B 603 8.049 6.375 6.749 1.00 0.00 H new ATOM 0 HB3 ASP B 603 6.346 6.013 6.547 1.00 0.00 H new ATOM 1099 N ARG B 604 5.230 3.601 7.445 1.00 0.00 N ATOM 1100 CA ARG B 604 3.920 2.996 7.847 1.00 0.00 C ATOM 1101 C ARG B 604 4.172 1.862 8.855 1.00 0.00 C ATOM 1102 O ARG B 604 3.484 1.730 9.847 1.00 0.00 O ATOM 1103 CB ARG B 604 3.194 2.431 6.614 1.00 0.00 C ATOM 1104 CG ARG B 604 2.782 3.577 5.667 1.00 0.00 C ATOM 1105 CD ARG B 604 1.413 4.141 6.074 1.00 0.00 C ATOM 1106 NE ARG B 604 1.260 5.518 5.527 1.00 0.00 N ATOM 1107 CZ ARG B 604 0.084 6.082 5.497 1.00 0.00 C ATOM 1108 NH1 ARG B 604 -0.958 5.443 5.953 1.00 0.00 N ATOM 1109 NH2 ARG B 604 -0.051 7.286 5.009 1.00 0.00 N ATOM 0 H ARG B 604 5.420 3.601 6.443 1.00 0.00 H new ATOM 0 HA ARG B 604 3.297 3.766 8.303 1.00 0.00 H new ATOM 0 HB2 ARG B 604 3.844 1.731 6.089 1.00 0.00 H new ATOM 0 HB3 ARG B 604 2.312 1.873 6.927 1.00 0.00 H new ATOM 0 HG2 ARG B 604 3.531 4.368 5.695 1.00 0.00 H new ATOM 0 HG3 ARG B 604 2.742 3.213 4.641 1.00 0.00 H new ATOM 0 HD2 ARG B 604 0.617 3.498 5.698 1.00 0.00 H new ATOM 0 HD3 ARG B 604 1.323 4.158 7.160 1.00 0.00 H new ATOM 0 HE ARG B 604 2.075 6.020 5.176 1.00 0.00 H new ATOM 0 HH11 ARG B 604 -0.853 4.502 6.333 1.00 0.00 H new ATOM 0 HH12 ARG B 604 -1.877 5.884 5.929 1.00 0.00 H new ATOM 0 HH21 ARG B 604 0.763 7.786 4.651 1.00 0.00 H new ATOM 0 HH22 ARG B 604 -0.971 7.727 4.986 1.00 0.00 H new ATOM 1123 N ILE B 605 5.169 1.052 8.601 1.00 0.00 N ATOM 1124 CA ILE B 605 5.504 -0.074 9.532 1.00 0.00 C ATOM 1125 C ILE B 605 5.798 0.465 10.933 1.00 0.00 C ATOM 1126 O ILE B 605 5.287 -0.036 11.915 1.00 0.00 O ATOM 1127 CB ILE B 605 6.751 -0.812 9.026 1.00 0.00 C ATOM 1128 CG1 ILE B 605 6.615 -1.120 7.533 1.00 0.00 C ATOM 1129 CG2 ILE B 605 6.914 -2.127 9.791 1.00 0.00 C ATOM 1130 CD1 ILE B 605 5.261 -1.778 7.251 1.00 0.00 C ATOM 0 H ILE B 605 5.772 1.122 7.781 1.00 0.00 H new ATOM 0 HA ILE B 605 4.652 -0.753 9.570 1.00 0.00 H new ATOM 0 HB ILE B 605 7.622 -0.177 9.186 1.00 0.00 H new ATOM 0 HG12 ILE B 605 6.709 -0.201 6.954 1.00 0.00 H new ATOM 0 HG13 ILE B 605 7.422 -1.780 7.215 1.00 0.00 H new ATOM 0 HG21 ILE B 605 7.800 -2.650 9.431 1.00 0.00 H new ATOM 0 HG22 ILE B 605 7.024 -1.918 10.855 1.00 0.00 H new ATOM 0 HG23 ILE B 605 6.035 -2.751 9.633 1.00 0.00 H new ATOM 0 HD11 ILE B 605 5.176 -1.993 6.186 1.00 0.00 H new ATOM 0 HD12 ILE B 605 5.183 -2.707 7.816 1.00 0.00 H new ATOM 0 HD13 ILE B 605 4.459 -1.103 7.551 1.00 0.00 H new ATOM 1142 N THR B 606 6.629 1.464 11.046 1.00 0.00 N ATOM 1143 CA THR B 606 6.956 2.000 12.398 1.00 0.00 C ATOM 1144 C THR B 606 5.684 2.497 13.088 1.00 0.00 C ATOM 1145 O THR B 606 5.383 2.114 14.201 1.00 0.00 O ATOM 1146 CB THR B 606 7.950 3.154 12.264 1.00 0.00 C ATOM 1147 OG1 THR B 606 7.349 4.214 11.534 1.00 0.00 O ATOM 1148 CG2 THR B 606 9.200 2.670 11.529 1.00 0.00 C ATOM 0 H THR B 606 7.093 1.930 10.267 1.00 0.00 H new ATOM 0 HA THR B 606 7.398 1.205 12.998 1.00 0.00 H new ATOM 0 HB THR B 606 8.229 3.509 13.256 1.00 0.00 H new ATOM 0 HG1 THR B 606 6.985 3.867 10.693 1.00 0.00 H new ATOM 0 HG21 THR B 606 9.908 3.493 11.434 1.00 0.00 H new ATOM 0 HG22 THR B 606 9.661 1.858 12.091 1.00 0.00 H new ATOM 0 HG23 THR B 606 8.923 2.313 10.537 1.00 0.00 H new ATOM 1267 N ILE B 614 3.713 -10.358 11.639 1.00 0.00 N ATOM 1268 CA ILE B 614 3.520 -10.013 10.198 1.00 0.00 C ATOM 1269 C ILE B 614 4.497 -10.799 9.313 1.00 0.00 C ATOM 1270 O ILE B 614 5.455 -11.380 9.783 1.00 0.00 O ATOM 1271 CB ILE B 614 3.755 -8.510 10.011 1.00 0.00 C ATOM 1272 CG1 ILE B 614 2.731 -7.732 10.844 1.00 0.00 C ATOM 1273 CG2 ILE B 614 3.602 -8.137 8.533 1.00 0.00 C ATOM 1274 CD1 ILE B 614 3.163 -6.269 10.949 1.00 0.00 C ATOM 0 HA ILE B 614 2.504 -10.276 9.904 1.00 0.00 H new ATOM 0 HB ILE B 614 4.764 -8.259 10.338 1.00 0.00 H new ATOM 0 HG12 ILE B 614 1.746 -7.799 10.383 1.00 0.00 H new ATOM 0 HG13 ILE B 614 2.648 -8.170 11.839 1.00 0.00 H new ATOM 0 HG21 ILE B 614 3.770 -7.067 8.408 1.00 0.00 H new ATOM 0 HG22 ILE B 614 4.331 -8.691 7.941 1.00 0.00 H new ATOM 0 HG23 ILE B 614 2.596 -8.387 8.197 1.00 0.00 H new ATOM 0 HD11 ILE B 614 2.434 -5.716 11.542 1.00 0.00 H new ATOM 0 HD12 ILE B 614 4.140 -6.212 11.429 1.00 0.00 H new ATOM 0 HD13 ILE B 614 3.223 -5.835 9.951 1.00 0.00 H new ATOM 1286 N ASP B 615 4.254 -10.806 8.023 1.00 0.00 N ATOM 1287 CA ASP B 615 5.144 -11.527 7.066 1.00 0.00 C ATOM 1288 C ASP B 615 5.661 -10.515 6.044 1.00 0.00 C ATOM 1289 O ASP B 615 4.903 -9.934 5.293 1.00 0.00 O ATOM 1290 CB ASP B 615 4.346 -12.616 6.346 1.00 0.00 C ATOM 1291 CG ASP B 615 3.883 -13.663 7.361 1.00 0.00 C ATOM 1292 OD1 ASP B 615 3.512 -13.274 8.455 1.00 0.00 O ATOM 1293 OD2 ASP B 615 3.909 -14.835 7.024 1.00 0.00 O ATOM 0 H ASP B 615 3.461 -10.333 7.589 1.00 0.00 H new ATOM 0 HA ASP B 615 5.976 -11.989 7.597 1.00 0.00 H new ATOM 0 HB2 ASP B 615 3.485 -12.178 5.841 1.00 0.00 H new ATOM 0 HB3 ASP B 615 4.961 -13.085 5.578 1.00 0.00 H new ATOM 1298 N VAL B 616 6.943 -10.300 6.010 1.00 0.00 N ATOM 1299 CA VAL B 616 7.506 -9.323 5.038 1.00 0.00 C ATOM 1300 C VAL B 616 7.616 -9.985 3.665 1.00 0.00 C ATOM 1301 O VAL B 616 7.779 -9.325 2.656 1.00 0.00 O ATOM 1302 CB VAL B 616 8.892 -8.877 5.506 1.00 0.00 C ATOM 1303 CG1 VAL B 616 9.424 -7.791 4.568 1.00 0.00 C ATOM 1304 CG2 VAL B 616 8.794 -8.315 6.926 1.00 0.00 C ATOM 0 H VAL B 616 7.627 -10.758 6.613 1.00 0.00 H new ATOM 0 HA VAL B 616 6.852 -8.453 4.972 1.00 0.00 H new ATOM 0 HB VAL B 616 9.569 -9.731 5.496 1.00 0.00 H new ATOM 0 HG11 VAL B 616 10.412 -7.474 4.902 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.494 -8.187 3.555 1.00 0.00 H new ATOM 0 HG13 VAL B 616 8.746 -6.938 4.578 1.00 0.00 H new ATOM 0 HG21 VAL B 616 9.781 -7.997 7.260 1.00 0.00 H new ATOM 0 HG22 VAL B 616 8.116 -7.462 6.934 1.00 0.00 H new ATOM 0 HG23 VAL B 616 8.415 -9.086 7.597 1.00 0.00 H new ATOM 1314 N ASP B 617 7.545 -11.287 3.618 1.00 0.00 N ATOM 1315 CA ASP B 617 7.668 -11.996 2.310 1.00 0.00 C ATOM 1316 C ASP B 617 6.372 -11.861 1.504 1.00 0.00 C ATOM 1317 O ASP B 617 6.398 -11.614 0.314 1.00 0.00 O ATOM 1318 CB ASP B 617 7.953 -13.477 2.563 1.00 0.00 C ATOM 1319 CG ASP B 617 8.133 -14.198 1.227 1.00 0.00 C ATOM 1320 OD1 ASP B 617 9.246 -14.207 0.727 1.00 0.00 O ATOM 1321 OD2 ASP B 617 7.155 -14.727 0.725 1.00 0.00 O ATOM 0 H ASP B 617 7.407 -11.892 4.428 1.00 0.00 H new ATOM 0 HA ASP B 617 8.485 -11.550 1.743 1.00 0.00 H new ATOM 0 HB2 ASP B 617 8.851 -13.587 3.171 1.00 0.00 H new ATOM 0 HB3 ASP B 617 7.132 -13.926 3.123 1.00 0.00 H new ATOM 1326 N GLY B 618 5.242 -12.023 2.133 1.00 0.00 N ATOM 1327 CA GLY B 618 3.956 -11.907 1.387 1.00 0.00 C ATOM 1328 C GLY B 618 3.759 -10.463 0.928 1.00 0.00 C ATOM 1329 O GLY B 618 3.355 -10.208 -0.188 1.00 0.00 O ATOM 0 H GLY B 618 5.152 -12.230 3.128 1.00 0.00 H new ATOM 0 HA2 GLY B 618 3.962 -12.575 0.526 1.00 0.00 H new ATOM 0 HA3 GLY B 618 3.126 -12.214 2.023 1.00 0.00 H new ATOM 1333 N LEU B 619 4.049 -9.516 1.774 1.00 0.00 N ATOM 1334 CA LEU B 619 3.882 -8.095 1.368 1.00 0.00 C ATOM 1335 C LEU B 619 4.846 -7.814 0.210 1.00 0.00 C ATOM 1336 O LEU B 619 4.626 -6.941 -0.604 1.00 0.00 O ATOM 1337 CB LEU B 619 4.171 -7.177 2.579 1.00 0.00 C ATOM 1338 CG LEU B 619 4.538 -5.734 2.128 1.00 0.00 C ATOM 1339 CD1 LEU B 619 3.993 -4.712 3.137 1.00 0.00 C ATOM 1340 CD2 LEU B 619 6.068 -5.575 2.034 1.00 0.00 C ATOM 0 H LEU B 619 4.392 -9.663 2.723 1.00 0.00 H new ATOM 0 HA LEU B 619 2.862 -7.899 1.038 1.00 0.00 H new ATOM 0 HB2 LEU B 619 3.296 -7.145 3.229 1.00 0.00 H new ATOM 0 HB3 LEU B 619 4.989 -7.595 3.166 1.00 0.00 H new ATOM 0 HG LEU B 619 4.093 -5.558 1.148 1.00 0.00 H new ATOM 0 HD11 LEU B 619 4.255 -3.705 2.812 1.00 0.00 H new ATOM 0 HD12 LEU B 619 2.908 -4.803 3.197 1.00 0.00 H new ATOM 0 HD13 LEU B 619 4.428 -4.902 4.118 1.00 0.00 H new ATOM 0 HD21 LEU B 619 6.310 -4.560 1.717 1.00 0.00 H new ATOM 0 HD22 LEU B 619 6.514 -5.767 3.010 1.00 0.00 H new ATOM 0 HD23 LEU B 619 6.464 -6.285 1.308 1.00 0.00 H new ATOM 1352 N CYS B 620 5.918 -8.555 0.137 1.00 0.00 N ATOM 1353 CA CYS B 620 6.907 -8.339 -0.956 1.00 0.00 C ATOM 1354 C CYS B 620 6.305 -8.728 -2.310 1.00 0.00 C ATOM 1355 O CYS B 620 6.285 -7.941 -3.232 1.00 0.00 O ATOM 1356 CB CYS B 620 8.148 -9.192 -0.691 1.00 0.00 C ATOM 1357 SG CYS B 620 9.496 -8.651 -1.771 1.00 0.00 S ATOM 0 H CYS B 620 6.152 -9.303 0.790 1.00 0.00 H new ATOM 0 HA CYS B 620 7.178 -7.283 -0.982 1.00 0.00 H new ATOM 0 HB2 CYS B 620 8.447 -9.103 0.353 1.00 0.00 H new ATOM 0 HB3 CYS B 620 7.924 -10.244 -0.870 1.00 0.00 H new ATOM 0 HG CYS B 620 10.551 -9.375 -1.544 1.00 0.00 H new ATOM 1363 N SER B 621 5.802 -9.928 -2.446 1.00 0.00 N ATOM 1364 CA SER B 621 5.207 -10.329 -3.758 1.00 0.00 C ATOM 1365 C SER B 621 3.827 -9.687 -3.906 1.00 0.00 C ATOM 1366 O SER B 621 3.173 -9.828 -4.920 1.00 0.00 O ATOM 1367 CB SER B 621 5.114 -11.852 -3.873 1.00 0.00 C ATOM 1368 OG SER B 621 4.590 -12.196 -5.150 1.00 0.00 O ATOM 0 H SER B 621 5.777 -10.640 -1.716 1.00 0.00 H new ATOM 0 HA SER B 621 5.852 -9.978 -4.563 1.00 0.00 H new ATOM 0 HB2 SER B 621 6.099 -12.299 -3.739 1.00 0.00 H new ATOM 0 HB3 SER B 621 4.474 -12.249 -3.085 1.00 0.00 H new ATOM 0 HG SER B 621 4.076 -11.441 -5.507 1.00 0.00 H new ATOM 1374 N GLU B 622 3.400 -8.943 -2.924 1.00 0.00 N ATOM 1375 CA GLU B 622 2.085 -8.242 -3.019 1.00 0.00 C ATOM 1376 C GLU B 622 2.326 -6.771 -3.396 1.00 0.00 C ATOM 1377 O GLU B 622 1.637 -6.228 -4.233 1.00 0.00 O ATOM 1378 CB GLU B 622 1.357 -8.320 -1.670 1.00 0.00 C ATOM 1379 CG GLU B 622 -0.137 -8.001 -1.852 1.00 0.00 C ATOM 1380 CD GLU B 622 -0.913 -8.430 -0.605 1.00 0.00 C ATOM 1381 OE1 GLU B 622 -0.327 -9.085 0.240 1.00 0.00 O ATOM 1382 OE2 GLU B 622 -2.084 -8.099 -0.519 1.00 0.00 O ATOM 0 H GLU B 622 3.908 -8.788 -2.053 1.00 0.00 H new ATOM 0 HA GLU B 622 1.469 -8.719 -3.781 1.00 0.00 H new ATOM 0 HB2 GLU B 622 1.474 -9.316 -1.243 1.00 0.00 H new ATOM 0 HB3 GLU B 622 1.803 -7.617 -0.967 1.00 0.00 H new ATOM 0 HG2 GLU B 622 -0.272 -6.934 -2.026 1.00 0.00 H new ATOM 0 HG3 GLU B 622 -0.525 -8.519 -2.729 1.00 0.00 H new ATOM 1389 N LEU B 623 3.290 -6.116 -2.793 1.00 0.00 N ATOM 1390 CA LEU B 623 3.543 -4.678 -3.141 1.00 0.00 C ATOM 1391 C LEU B 623 4.486 -4.589 -4.361 1.00 0.00 C ATOM 1392 O LEU B 623 4.438 -3.644 -5.123 1.00 0.00 O ATOM 1393 CB LEU B 623 4.192 -3.955 -1.926 1.00 0.00 C ATOM 1394 CG LEU B 623 3.149 -3.131 -1.131 1.00 0.00 C ATOM 1395 CD1 LEU B 623 2.242 -4.062 -0.284 1.00 0.00 C ATOM 1396 CD2 LEU B 623 3.887 -2.132 -0.217 1.00 0.00 C ATOM 0 H LEU B 623 3.907 -6.508 -2.082 1.00 0.00 H new ATOM 0 HA LEU B 623 2.596 -4.198 -3.387 1.00 0.00 H new ATOM 0 HB2 LEU B 623 4.654 -4.691 -1.268 1.00 0.00 H new ATOM 0 HB3 LEU B 623 4.987 -3.297 -2.276 1.00 0.00 H new ATOM 0 HG LEU B 623 2.514 -2.589 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU B 623 1.517 -3.462 0.266 1.00 0.00 H new ATOM 0 HD12 LEU B 623 1.716 -4.754 -0.942 1.00 0.00 H new ATOM 0 HD13 LEU B 623 2.855 -4.625 0.420 1.00 0.00 H new ATOM 0 HD21 LEU B 623 3.159 -1.548 0.346 1.00 0.00 H new ATOM 0 HD22 LEU B 623 4.528 -2.677 0.475 1.00 0.00 H new ATOM 0 HD23 LEU B 623 4.496 -1.463 -0.826 1.00 0.00 H new ATOM 1408 N MET B 624 5.362 -5.548 -4.529 1.00 0.00 N ATOM 1409 CA MET B 624 6.332 -5.501 -5.672 1.00 0.00 C ATOM 1410 C MET B 624 5.618 -5.453 -7.029 1.00 0.00 C ATOM 1411 O MET B 624 6.123 -4.860 -7.957 1.00 0.00 O ATOM 1412 CB MET B 624 7.236 -6.741 -5.633 1.00 0.00 C ATOM 1413 CG MET B 624 8.213 -6.667 -4.446 1.00 0.00 C ATOM 1414 SD MET B 624 9.748 -5.870 -4.974 1.00 0.00 S ATOM 1415 CE MET B 624 10.560 -7.345 -5.637 1.00 0.00 C ATOM 0 H MET B 624 5.449 -6.364 -3.924 1.00 0.00 H new ATOM 0 HA MET B 624 6.922 -4.591 -5.563 1.00 0.00 H new ATOM 0 HB2 MET B 624 6.625 -7.640 -5.551 1.00 0.00 H new ATOM 0 HB3 MET B 624 7.795 -6.819 -6.566 1.00 0.00 H new ATOM 0 HG2 MET B 624 7.764 -6.107 -3.626 1.00 0.00 H new ATOM 0 HG3 MET B 624 8.422 -7.669 -4.071 1.00 0.00 H new ATOM 0 HE1 MET B 624 11.543 -7.076 -6.024 1.00 0.00 H new ATOM 0 HE2 MET B 624 10.672 -8.086 -4.845 1.00 0.00 H new ATOM 0 HE3 MET B 624 9.955 -7.763 -6.442 1.00 0.00 H new ATOM 1425 N ALA B 625 4.463 -6.057 -7.171 1.00 0.00 N ATOM 1426 CA ALA B 625 3.753 -6.024 -8.500 1.00 0.00 C ATOM 1427 C ALA B 625 2.594 -5.028 -8.457 1.00 0.00 C ATOM 1428 O ALA B 625 1.976 -4.756 -9.466 1.00 0.00 O ATOM 1429 CB ALA B 625 3.252 -7.417 -8.883 1.00 0.00 C ATOM 0 H ALA B 625 3.980 -6.569 -6.433 1.00 0.00 H new ATOM 0 HA ALA B 625 4.462 -5.699 -9.261 1.00 0.00 H new ATOM 0 HB1 ALA B 625 2.743 -7.369 -9.846 1.00 0.00 H new ATOM 0 HB2 ALA B 625 4.098 -8.101 -8.954 1.00 0.00 H new ATOM 0 HB3 ALA B 625 2.558 -7.776 -8.123 1.00 0.00 H new ATOM 1435 N LYS B 626 2.325 -4.427 -7.334 1.00 0.00 N ATOM 1436 CA LYS B 626 1.247 -3.396 -7.302 1.00 0.00 C ATOM 1437 C LYS B 626 1.904 -2.059 -7.658 1.00 0.00 C ATOM 1438 O LYS B 626 1.253 -1.069 -7.925 1.00 0.00 O ATOM 1439 CB LYS B 626 0.630 -3.324 -5.901 1.00 0.00 C ATOM 1440 CG LYS B 626 -0.141 -4.623 -5.600 1.00 0.00 C ATOM 1441 CD LYS B 626 -1.569 -4.533 -6.150 1.00 0.00 C ATOM 1442 CE LYS B 626 -2.332 -5.810 -5.797 1.00 0.00 C ATOM 1443 NZ LYS B 626 -1.859 -6.927 -6.663 1.00 0.00 N ATOM 0 H LYS B 626 2.796 -4.600 -6.446 1.00 0.00 H new ATOM 0 HA LYS B 626 0.450 -3.640 -8.005 1.00 0.00 H new ATOM 0 HB2 LYS B 626 1.412 -3.175 -5.157 1.00 0.00 H new ATOM 0 HB3 LYS B 626 -0.042 -2.468 -5.834 1.00 0.00 H new ATOM 0 HG2 LYS B 626 0.375 -5.472 -6.047 1.00 0.00 H new ATOM 0 HG3 LYS B 626 -0.168 -4.797 -4.524 1.00 0.00 H new ATOM 0 HD2 LYS B 626 -2.078 -3.665 -5.731 1.00 0.00 H new ATOM 0 HD3 LYS B 626 -1.546 -4.397 -7.231 1.00 0.00 H new ATOM 0 HE2 LYS B 626 -2.179 -6.060 -4.747 1.00 0.00 H new ATOM 0 HE3 LYS B 626 -3.402 -5.657 -5.935 1.00 0.00 H new ATOM 0 HZ1 LYS B 626 -2.477 -7.753 -6.533 1.00 0.00 H new ATOM 0 HZ2 LYS B 626 -1.885 -6.629 -7.659 1.00 0.00 H new ATOM 0 HZ3 LYS B 626 -0.884 -7.180 -6.402 1.00 0.00 H new ATOM 1457 N ALA B 627 3.213 -2.049 -7.655 1.00 0.00 N ATOM 1458 CA ALA B 627 3.988 -0.816 -7.981 1.00 0.00 C ATOM 1459 C ALA B 627 3.414 -0.123 -9.224 1.00 0.00 C ATOM 1460 O ALA B 627 3.075 -0.760 -10.202 1.00 0.00 O ATOM 1461 CB ALA B 627 5.445 -1.210 -8.249 1.00 0.00 C ATOM 0 H ALA B 627 3.788 -2.862 -7.435 1.00 0.00 H new ATOM 0 HA ALA B 627 3.925 -0.124 -7.141 1.00 0.00 H new ATOM 0 HB1 ALA B 627 6.025 -0.319 -8.489 1.00 0.00 H new ATOM 0 HB2 ALA B 627 5.862 -1.686 -7.362 1.00 0.00 H new ATOM 0 HB3 ALA B 627 5.486 -1.906 -9.087 1.00 0.00 H new ATOM 1467 N LYS B 628 3.324 1.186 -9.190 1.00 0.00 N ATOM 1468 CA LYS B 628 2.800 1.962 -10.360 1.00 0.00 C ATOM 1469 C LYS B 628 3.916 2.879 -10.870 1.00 0.00 C ATOM 1470 O LYS B 628 4.116 3.970 -10.371 1.00 0.00 O ATOM 1471 CB LYS B 628 1.606 2.810 -9.914 1.00 0.00 C ATOM 1472 CG LYS B 628 0.571 1.911 -9.233 1.00 0.00 C ATOM 1473 CD LYS B 628 -0.645 2.748 -8.830 1.00 0.00 C ATOM 1474 CE LYS B 628 -1.722 1.834 -8.245 1.00 0.00 C ATOM 1475 NZ LYS B 628 -1.127 0.986 -7.173 1.00 0.00 N ATOM 0 H LYS B 628 3.595 1.757 -8.390 1.00 0.00 H new ATOM 0 HA LYS B 628 2.481 1.283 -11.151 1.00 0.00 H new ATOM 0 HB2 LYS B 628 1.936 3.589 -9.227 1.00 0.00 H new ATOM 0 HB3 LYS B 628 1.160 3.311 -10.773 1.00 0.00 H new ATOM 0 HG2 LYS B 628 0.268 1.111 -9.909 1.00 0.00 H new ATOM 0 HG3 LYS B 628 1.007 1.437 -8.354 1.00 0.00 H new ATOM 0 HD2 LYS B 628 -0.355 3.501 -8.097 1.00 0.00 H new ATOM 0 HD3 LYS B 628 -1.037 3.281 -9.697 1.00 0.00 H new ATOM 0 HE2 LYS B 628 -2.539 2.431 -7.840 1.00 0.00 H new ATOM 0 HE3 LYS B 628 -2.145 1.205 -9.028 1.00 0.00 H new ATOM 0 HZ1 LYS B 628 -1.829 0.834 -6.421 1.00 0.00 H new ATOM 0 HZ2 LYS B 628 -0.844 0.068 -7.573 1.00 0.00 H new ATOM 0 HZ3 LYS B 628 -0.292 1.463 -6.777 1.00 0.00 H new ATOM 1489 N CYS B 629 4.669 2.423 -11.835 1.00 0.00 N ATOM 1490 CA CYS B 629 5.805 3.238 -12.361 1.00 0.00 C ATOM 1491 C CYS B 629 5.339 4.631 -12.810 1.00 0.00 C ATOM 1492 O CYS B 629 4.537 4.791 -13.709 1.00 0.00 O ATOM 1493 CB CYS B 629 6.473 2.505 -13.530 1.00 0.00 C ATOM 1494 SG CYS B 629 7.633 1.279 -12.878 1.00 0.00 S ATOM 0 H CYS B 629 4.546 1.516 -12.285 1.00 0.00 H new ATOM 0 HA CYS B 629 6.526 3.372 -11.554 1.00 0.00 H new ATOM 0 HB2 CYS B 629 5.719 2.017 -14.148 1.00 0.00 H new ATOM 0 HB3 CYS B 629 6.997 3.216 -14.169 1.00 0.00 H new ATOM 1499 N SER B 630 5.893 5.631 -12.179 1.00 0.00 N ATOM 1500 CA SER B 630 5.579 7.052 -12.517 1.00 0.00 C ATOM 1501 C SER B 630 6.876 7.852 -12.387 1.00 0.00 C ATOM 1502 O SER B 630 7.803 7.415 -11.734 1.00 0.00 O ATOM 1503 CB SER B 630 4.537 7.599 -11.540 1.00 0.00 C ATOM 1504 OG SER B 630 4.272 8.961 -11.850 1.00 0.00 O ATOM 0 H SER B 630 6.568 5.520 -11.423 1.00 0.00 H new ATOM 0 HA SER B 630 5.178 7.127 -13.528 1.00 0.00 H new ATOM 0 HB2 SER B 630 3.619 7.014 -11.604 1.00 0.00 H new ATOM 0 HB3 SER B 630 4.900 7.511 -10.516 1.00 0.00 H new ATOM 0 HG SER B 630 3.603 9.314 -11.227 1.00 0.00 H new ATOM 1510 N GLU B 631 6.980 9.010 -12.987 1.00 0.00 N ATOM 1511 CA GLU B 631 8.252 9.777 -12.849 1.00 0.00 C ATOM 1512 C GLU B 631 8.436 10.166 -11.382 1.00 0.00 C ATOM 1513 O GLU B 631 9.541 10.370 -10.921 1.00 0.00 O ATOM 1514 CB GLU B 631 8.225 11.025 -13.737 1.00 0.00 C ATOM 1515 CG GLU B 631 6.926 11.802 -13.501 1.00 0.00 C ATOM 1516 CD GLU B 631 6.869 13.002 -14.448 1.00 0.00 C ATOM 1517 OE1 GLU B 631 6.483 12.814 -15.590 1.00 0.00 O ATOM 1518 OE2 GLU B 631 7.212 14.091 -14.015 1.00 0.00 O ATOM 0 H GLU B 631 6.256 9.450 -13.555 1.00 0.00 H new ATOM 0 HA GLU B 631 9.089 9.157 -13.170 1.00 0.00 H new ATOM 0 HB2 GLU B 631 9.084 11.659 -13.516 1.00 0.00 H new ATOM 0 HB3 GLU B 631 8.302 10.738 -14.786 1.00 0.00 H new ATOM 0 HG2 GLU B 631 6.066 11.153 -13.668 1.00 0.00 H new ATOM 0 HG3 GLU B 631 6.875 12.140 -12.466 1.00 0.00 H new ATOM 1525 N ARG B 632 7.373 10.226 -10.631 1.00 0.00 N ATOM 1526 CA ARG B 632 7.506 10.550 -9.183 1.00 0.00 C ATOM 1527 C ARG B 632 7.946 9.270 -8.466 1.00 0.00 C ATOM 1528 O ARG B 632 7.551 8.990 -7.351 1.00 0.00 O ATOM 1529 CB ARG B 632 6.153 11.021 -8.632 1.00 0.00 C ATOM 1530 CG ARG B 632 5.842 12.449 -9.129 1.00 0.00 C ATOM 1531 CD ARG B 632 6.451 13.485 -8.176 1.00 0.00 C ATOM 1532 NE ARG B 632 6.462 14.822 -8.835 1.00 0.00 N ATOM 1533 CZ ARG B 632 6.656 15.898 -8.123 1.00 0.00 C ATOM 1534 NH1 ARG B 632 6.840 15.803 -6.834 1.00 0.00 N ATOM 1535 NH2 ARG B 632 6.665 17.069 -8.698 1.00 0.00 N ATOM 0 H ARG B 632 6.419 10.065 -10.956 1.00 0.00 H new ATOM 0 HA ARG B 632 8.235 11.346 -9.029 1.00 0.00 H new ATOM 0 HB2 ARG B 632 5.365 10.338 -8.950 1.00 0.00 H new ATOM 0 HB3 ARG B 632 6.170 11.003 -7.542 1.00 0.00 H new ATOM 0 HG2 ARG B 632 6.243 12.588 -10.133 1.00 0.00 H new ATOM 0 HG3 ARG B 632 4.763 12.593 -9.193 1.00 0.00 H new ATOM 0 HD2 ARG B 632 5.874 13.528 -7.252 1.00 0.00 H new ATOM 0 HD3 ARG B 632 7.466 13.193 -7.905 1.00 0.00 H new ATOM 0 HE ARG B 632 6.318 14.896 -9.842 1.00 0.00 H new ATOM 0 HH11 ARG B 632 6.832 14.888 -6.384 1.00 0.00 H new ATOM 0 HH12 ARG B 632 6.992 16.644 -6.277 1.00 0.00 H new ATOM 0 HH21 ARG B 632 6.520 17.144 -9.705 1.00 0.00 H new ATOM 0 HH22 ARG B 632 6.817 17.910 -8.141 1.00 0.00 H new ATOM 1549 N GLY B 633 8.745 8.479 -9.134 1.00 0.00 N ATOM 1550 CA GLY B 633 9.203 7.189 -8.542 1.00 0.00 C ATOM 1551 C GLY B 633 8.002 6.246 -8.502 1.00 0.00 C ATOM 1552 O GLY B 633 6.969 6.543 -9.069 1.00 0.00 O ATOM 0 H GLY B 633 9.101 8.673 -10.070 1.00 0.00 H new ATOM 0 HA2 GLY B 633 10.008 6.759 -9.138 1.00 0.00 H new ATOM 0 HA3 GLY B 633 9.599 7.347 -7.539 1.00 0.00 H new ATOM 1556 N VAL B 634 8.094 5.125 -7.843 1.00 0.00 N ATOM 1557 CA VAL B 634 6.930 4.203 -7.786 1.00 0.00 C ATOM 1558 C VAL B 634 5.925 4.722 -6.760 1.00 0.00 C ATOM 1559 O VAL B 634 6.308 5.210 -5.717 1.00 0.00 O ATOM 1560 CB VAL B 634 7.428 2.832 -7.321 1.00 0.00 C ATOM 1561 CG1 VAL B 634 8.055 2.959 -5.932 1.00 0.00 C ATOM 1562 CG2 VAL B 634 6.256 1.852 -7.256 1.00 0.00 C ATOM 0 H VAL B 634 8.925 4.809 -7.342 1.00 0.00 H new ATOM 0 HA VAL B 634 6.459 4.135 -8.767 1.00 0.00 H new ATOM 0 HB VAL B 634 8.172 2.463 -8.027 1.00 0.00 H new ATOM 0 HG11 VAL B 634 8.409 1.982 -5.602 1.00 0.00 H new ATOM 0 HG12 VAL B 634 8.894 3.654 -5.974 1.00 0.00 H new ATOM 0 HG13 VAL B 634 7.310 3.331 -5.229 1.00 0.00 H new ATOM 0 HG21 VAL B 634 6.615 0.877 -6.925 1.00 0.00 H new ATOM 0 HG22 VAL B 634 5.510 2.223 -6.553 1.00 0.00 H new ATOM 0 HG23 VAL B 634 5.806 1.756 -8.244 1.00 0.00 H new ATOM 1572 N VAL B 635 4.647 4.605 -7.027 1.00 0.00 N ATOM 1573 CA VAL B 635 3.624 5.078 -6.034 1.00 0.00 C ATOM 1574 C VAL B 635 2.553 3.999 -5.873 1.00 0.00 C ATOM 1575 O VAL B 635 2.127 3.382 -6.829 1.00 0.00 O ATOM 1576 CB VAL B 635 2.987 6.382 -6.514 1.00 0.00 C ATOM 1577 CG1 VAL B 635 4.069 7.448 -6.686 1.00 0.00 C ATOM 1578 CG2 VAL B 635 2.290 6.142 -7.855 1.00 0.00 C ATOM 0 H VAL B 635 4.266 4.205 -7.885 1.00 0.00 H new ATOM 0 HA VAL B 635 4.106 5.263 -5.074 1.00 0.00 H new ATOM 0 HB VAL B 635 2.258 6.723 -5.779 1.00 0.00 H new ATOM 0 HG11 VAL B 635 3.613 8.377 -7.028 1.00 0.00 H new ATOM 0 HG12 VAL B 635 4.567 7.618 -5.731 1.00 0.00 H new ATOM 0 HG13 VAL B 635 4.799 7.110 -7.421 1.00 0.00 H new ATOM 0 HG21 VAL B 635 1.835 7.070 -8.200 1.00 0.00 H new ATOM 0 HG22 VAL B 635 3.020 5.802 -8.589 1.00 0.00 H new ATOM 0 HG23 VAL B 635 1.518 5.383 -7.733 1.00 0.00 H new ATOM 1588 N ILE B 636 2.130 3.761 -4.655 1.00 0.00 N ATOM 1589 CA ILE B 636 1.096 2.712 -4.385 1.00 0.00 C ATOM 1590 C ILE B 636 -0.016 3.312 -3.518 1.00 0.00 C ATOM 1591 O ILE B 636 0.199 4.255 -2.786 1.00 0.00 O ATOM 1592 CB ILE B 636 1.749 1.550 -3.631 1.00 0.00 C ATOM 1593 CG1 ILE B 636 2.898 0.970 -4.468 1.00 0.00 C ATOM 1594 CG2 ILE B 636 0.708 0.461 -3.373 1.00 0.00 C ATOM 1595 CD1 ILE B 636 3.800 0.114 -3.575 1.00 0.00 C ATOM 0 H ILE B 636 2.461 4.255 -3.826 1.00 0.00 H new ATOM 0 HA ILE B 636 0.677 2.355 -5.326 1.00 0.00 H new ATOM 0 HB ILE B 636 2.142 1.912 -2.681 1.00 0.00 H new ATOM 0 HG12 ILE B 636 2.499 0.367 -5.284 1.00 0.00 H new ATOM 0 HG13 ILE B 636 3.476 1.776 -4.920 1.00 0.00 H new ATOM 0 HG21 ILE B 636 1.172 -0.366 -2.836 1.00 0.00 H new ATOM 0 HG22 ILE B 636 -0.106 0.870 -2.775 1.00 0.00 H new ATOM 0 HG23 ILE B 636 0.314 0.101 -4.324 1.00 0.00 H new ATOM 0 HD11 ILE B 636 4.616 -0.298 -4.170 1.00 0.00 H new ATOM 0 HD12 ILE B 636 4.210 0.730 -2.774 1.00 0.00 H new ATOM 0 HD13 ILE B 636 3.218 -0.701 -3.144 1.00 0.00 H new ATOM 1607 N ASN B 637 -1.208 2.778 -3.602 1.00 0.00 N ATOM 1608 CA ASN B 637 -2.337 3.324 -2.786 1.00 0.00 C ATOM 1609 C ASN B 637 -2.412 2.594 -1.439 1.00 0.00 C ATOM 1610 O ASN B 637 -2.264 1.391 -1.357 1.00 0.00 O ATOM 1611 CB ASN B 637 -3.653 3.138 -3.543 1.00 0.00 C ATOM 1612 CG ASN B 637 -3.639 3.989 -4.816 1.00 0.00 C ATOM 1613 OD1 ASN B 637 -4.672 4.440 -5.270 1.00 0.00 O ATOM 1614 ND2 ASN B 637 -2.504 4.231 -5.414 1.00 0.00 N ATOM 0 H ASN B 637 -1.449 1.988 -4.200 1.00 0.00 H new ATOM 0 HA ASN B 637 -2.166 4.386 -2.607 1.00 0.00 H new ATOM 0 HB2 ASN B 637 -3.792 2.087 -3.798 1.00 0.00 H new ATOM 0 HB3 ASN B 637 -4.492 3.427 -2.910 1.00 0.00 H new ATOM 0 HD21 ASN B 637 -2.485 4.798 -6.262 1.00 0.00 H new ATOM 0 HD22 ASN B 637 -1.636 3.853 -5.034 1.00 0.00 H new ATOM 1621 N ALA B 638 -2.640 3.332 -0.383 1.00 0.00 N ATOM 1622 CA ALA B 638 -2.728 2.724 0.978 1.00 0.00 C ATOM 1623 C ALA B 638 -3.751 1.581 1.007 1.00 0.00 C ATOM 1624 O ALA B 638 -3.825 0.839 1.964 1.00 0.00 O ATOM 1625 CB ALA B 638 -3.144 3.789 1.987 1.00 0.00 C ATOM 0 H ALA B 638 -2.771 4.343 -0.407 1.00 0.00 H new ATOM 0 HA ALA B 638 -1.748 2.323 1.235 1.00 0.00 H new ATOM 0 HB1 ALA B 638 -3.208 3.344 2.980 1.00 0.00 H new ATOM 0 HB2 ALA B 638 -2.405 4.591 1.995 1.00 0.00 H new ATOM 0 HB3 ALA B 638 -4.116 4.195 1.708 1.00 0.00 H new ATOM 1631 N GLU B 639 -4.540 1.429 -0.017 1.00 0.00 N ATOM 1632 CA GLU B 639 -5.552 0.330 -0.017 1.00 0.00 C ATOM 1633 C GLU B 639 -4.889 -1.015 -0.344 1.00 0.00 C ATOM 1634 O GLU B 639 -5.421 -2.058 -0.014 1.00 0.00 O ATOM 1635 CB GLU B 639 -6.655 0.636 -1.033 1.00 0.00 C ATOM 1636 CG GLU B 639 -7.743 -0.434 -0.949 1.00 0.00 C ATOM 1637 CD GLU B 639 -8.897 -0.064 -1.882 1.00 0.00 C ATOM 1638 OE1 GLU B 639 -9.735 0.722 -1.472 1.00 0.00 O ATOM 1639 OE2 GLU B 639 -8.924 -0.572 -2.991 1.00 0.00 O ATOM 0 H GLU B 639 -4.531 2.014 -0.853 1.00 0.00 H new ATOM 0 HA GLU B 639 -5.993 0.263 0.978 1.00 0.00 H new ATOM 0 HB2 GLU B 639 -7.082 1.619 -0.836 1.00 0.00 H new ATOM 0 HB3 GLU B 639 -6.238 0.666 -2.040 1.00 0.00 H new ATOM 0 HG2 GLU B 639 -7.334 -1.406 -1.227 1.00 0.00 H new ATOM 0 HG3 GLU B 639 -8.104 -0.521 0.076 1.00 0.00 H new ATOM 1646 N ASP B 640 -3.726 -1.029 -0.933 1.00 0.00 N ATOM 1647 CA ASP B 640 -3.061 -2.345 -1.203 1.00 0.00 C ATOM 1648 C ASP B 640 -2.259 -2.747 0.041 1.00 0.00 C ATOM 1649 O ASP B 640 -2.508 -3.773 0.642 1.00 0.00 O ATOM 1650 CB ASP B 640 -2.140 -2.237 -2.419 1.00 0.00 C ATOM 1651 CG ASP B 640 -1.327 -3.524 -2.560 1.00 0.00 C ATOM 1652 OD1 ASP B 640 -1.930 -4.558 -2.801 1.00 0.00 O ATOM 1653 OD2 ASP B 640 -0.116 -3.457 -2.425 1.00 0.00 O ATOM 0 H ASP B 640 -3.210 -0.203 -1.237 1.00 0.00 H new ATOM 0 HA ASP B 640 -3.814 -3.103 -1.420 1.00 0.00 H new ATOM 0 HB2 ASP B 640 -2.729 -2.066 -3.320 1.00 0.00 H new ATOM 0 HB3 ASP B 640 -1.472 -1.383 -2.308 1.00 0.00 H new ATOM 1658 N VAL B 641 -1.318 -1.945 0.445 1.00 0.00 N ATOM 1659 CA VAL B 641 -0.523 -2.277 1.665 1.00 0.00 C ATOM 1660 C VAL B 641 -1.481 -2.603 2.821 1.00 0.00 C ATOM 1661 O VAL B 641 -1.204 -3.448 3.648 1.00 0.00 O ATOM 1662 CB VAL B 641 0.342 -1.066 2.038 1.00 0.00 C ATOM 1663 CG1 VAL B 641 -0.499 0.197 1.959 1.00 0.00 C ATOM 1664 CG2 VAL B 641 0.895 -1.227 3.458 1.00 0.00 C ATOM 0 H VAL B 641 -1.062 -1.071 -0.015 1.00 0.00 H new ATOM 0 HA VAL B 641 0.115 -3.139 1.472 1.00 0.00 H new ATOM 0 HB VAL B 641 1.177 -0.996 1.341 1.00 0.00 H new ATOM 0 HG11 VAL B 641 0.113 1.059 2.224 1.00 0.00 H new ATOM 0 HG12 VAL B 641 -0.878 0.319 0.944 1.00 0.00 H new ATOM 0 HG13 VAL B 641 -1.337 0.120 2.652 1.00 0.00 H new ATOM 0 HG21 VAL B 641 1.507 -0.361 3.710 1.00 0.00 H new ATOM 0 HG22 VAL B 641 0.068 -1.305 4.164 1.00 0.00 H new ATOM 0 HG23 VAL B 641 1.504 -2.130 3.511 1.00 0.00 H new ATOM 1674 N GLN B 642 -2.603 -1.939 2.882 1.00 0.00 N ATOM 1675 CA GLN B 642 -3.566 -2.220 3.988 1.00 0.00 C ATOM 1676 C GLN B 642 -4.183 -3.602 3.772 1.00 0.00 C ATOM 1677 O GLN B 642 -4.428 -4.333 4.711 1.00 0.00 O ATOM 1678 CB GLN B 642 -4.660 -1.151 4.023 1.00 0.00 C ATOM 1679 CG GLN B 642 -5.516 -1.329 5.279 1.00 0.00 C ATOM 1680 CD GLN B 642 -4.691 -0.965 6.514 1.00 0.00 C ATOM 1681 OE1 GLN B 642 -4.513 0.198 6.819 1.00 0.00 O ATOM 1682 NE2 GLN B 642 -4.177 -1.916 7.244 1.00 0.00 N ATOM 0 H GLN B 642 -2.894 -1.219 2.220 1.00 0.00 H new ATOM 0 HA GLN B 642 -3.040 -2.201 4.942 1.00 0.00 H new ATOM 0 HB2 GLN B 642 -4.211 -0.158 4.015 1.00 0.00 H new ATOM 0 HB3 GLN B 642 -5.284 -1.226 3.132 1.00 0.00 H new ATOM 0 HG2 GLN B 642 -6.402 -0.697 5.221 1.00 0.00 H new ATOM 0 HG3 GLN B 642 -5.864 -2.359 5.352 1.00 0.00 H new ATOM 0 HE21 GLN B 642 -4.326 -2.892 6.989 1.00 0.00 H new ATOM 0 HE22 GLN B 642 -3.626 -1.683 8.070 1.00 0.00 H new ATOM 1691 N LEU B 643 -4.403 -3.986 2.546 1.00 0.00 N ATOM 1692 CA LEU B 643 -4.965 -5.342 2.284 1.00 0.00 C ATOM 1693 C LEU B 643 -3.817 -6.353 2.284 1.00 0.00 C ATOM 1694 O LEU B 643 -4.025 -7.536 2.453 1.00 0.00 O ATOM 1695 CB LEU B 643 -5.676 -5.368 0.928 1.00 0.00 C ATOM 1696 CG LEU B 643 -6.940 -4.497 0.974 1.00 0.00 C ATOM 1697 CD1 LEU B 643 -7.520 -4.384 -0.441 1.00 0.00 C ATOM 1698 CD2 LEU B 643 -7.992 -5.120 1.914 1.00 0.00 C ATOM 0 H LEU B 643 -4.219 -3.423 1.716 1.00 0.00 H new ATOM 0 HA LEU B 643 -5.689 -5.595 3.059 1.00 0.00 H new ATOM 0 HB2 LEU B 643 -5.004 -5.005 0.150 1.00 0.00 H new ATOM 0 HB3 LEU B 643 -5.941 -6.393 0.668 1.00 0.00 H new ATOM 0 HG LEU B 643 -6.679 -3.509 1.352 1.00 0.00 H new ATOM 0 HD11 LEU B 643 -8.418 -3.767 -0.418 1.00 0.00 H new ATOM 0 HD12 LEU B 643 -6.783 -3.927 -1.101 1.00 0.00 H new ATOM 0 HD13 LEU B 643 -7.772 -5.378 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU B 643 -8.881 -4.489 1.934 1.00 0.00 H new ATOM 0 HD22 LEU B 643 -8.260 -6.113 1.553 1.00 0.00 H new ATOM 0 HD23 LEU B 643 -7.580 -5.199 2.920 1.00 0.00 H new ATOM 1710 N ALA B 644 -2.601 -5.899 2.127 1.00 0.00 N ATOM 1711 CA ALA B 644 -1.441 -6.843 2.153 1.00 0.00 C ATOM 1712 C ALA B 644 -0.959 -7.010 3.599 1.00 0.00 C ATOM 1713 O ALA B 644 -0.521 -8.073 3.993 1.00 0.00 O ATOM 1714 CB ALA B 644 -0.303 -6.297 1.288 1.00 0.00 C ATOM 0 H ALA B 644 -2.360 -4.919 1.982 1.00 0.00 H new ATOM 0 HA ALA B 644 -1.752 -7.810 1.757 1.00 0.00 H new ATOM 0 HB1 ALA B 644 0.538 -6.990 1.313 1.00 0.00 H new ATOM 0 HB2 ALA B 644 -0.649 -6.183 0.261 1.00 0.00 H new ATOM 0 HB3 ALA B 644 0.015 -5.328 1.674 1.00 0.00 H new ATOM 1720 N LEU B 645 -1.033 -5.976 4.393 1.00 0.00 N ATOM 1721 CA LEU B 645 -0.577 -6.090 5.813 1.00 0.00 C ATOM 1722 C LEU B 645 -1.726 -6.592 6.694 1.00 0.00 C ATOM 1723 O LEU B 645 -1.502 -7.183 7.731 1.00 0.00 O ATOM 1724 CB LEU B 645 -0.116 -4.720 6.327 1.00 0.00 C ATOM 1725 CG LEU B 645 1.227 -4.321 5.692 1.00 0.00 C ATOM 1726 CD1 LEU B 645 1.596 -2.912 6.171 1.00 0.00 C ATOM 1727 CD2 LEU B 645 2.336 -5.313 6.106 1.00 0.00 C ATOM 0 H LEU B 645 -1.388 -5.059 4.123 1.00 0.00 H new ATOM 0 HA LEU B 645 0.253 -6.796 5.856 1.00 0.00 H new ATOM 0 HB2 LEU B 645 -0.870 -3.968 6.096 1.00 0.00 H new ATOM 0 HB3 LEU B 645 -0.016 -4.749 7.412 1.00 0.00 H new ATOM 0 HG LEU B 645 1.133 -4.340 4.606 1.00 0.00 H new ATOM 0 HD11 LEU B 645 2.547 -2.615 5.729 1.00 0.00 H new ATOM 0 HD12 LEU B 645 0.820 -2.210 5.868 1.00 0.00 H new ATOM 0 HD13 LEU B 645 1.684 -2.909 7.257 1.00 0.00 H new ATOM 0 HD21 LEU B 645 3.279 -5.016 5.648 1.00 0.00 H new ATOM 0 HD22 LEU B 645 2.442 -5.308 7.191 1.00 0.00 H new ATOM 0 HD23 LEU B 645 2.070 -6.316 5.772 1.00 0.00 H new ATOM 1739 N ASN B 646 -2.952 -6.363 6.303 1.00 0.00 N ATOM 1740 CA ASN B 646 -4.098 -6.835 7.142 1.00 0.00 C ATOM 1741 C ASN B 646 -4.469 -8.269 6.752 1.00 0.00 C ATOM 1742 O ASN B 646 -5.193 -8.941 7.459 1.00 0.00 O ATOM 1743 CB ASN B 646 -5.302 -5.914 6.938 1.00 0.00 C ATOM 1744 CG ASN B 646 -6.438 -6.343 7.868 1.00 0.00 C ATOM 1745 OD1 ASN B 646 -7.058 -7.367 7.656 1.00 0.00 O ATOM 1746 ND2 ASN B 646 -6.740 -5.599 8.895 1.00 0.00 N ATOM 0 H ASN B 646 -3.211 -5.874 5.446 1.00 0.00 H new ATOM 0 HA ASN B 646 -3.806 -6.814 8.192 1.00 0.00 H new ATOM 0 HB2 ASN B 646 -5.021 -4.881 7.142 1.00 0.00 H new ATOM 0 HB3 ASN B 646 -5.633 -5.955 5.900 1.00 0.00 H new ATOM 0 HD21 ASN B 646 -7.496 -5.876 9.521 1.00 0.00 H new ATOM 0 HD22 ASN B 646 -6.220 -4.740 9.073 1.00 0.00 H new ATOM 1753 N LYS B 647 -3.967 -8.754 5.647 1.00 0.00 N ATOM 1754 CA LYS B 647 -4.282 -10.156 5.231 1.00 0.00 C ATOM 1755 C LYS B 647 -3.151 -11.075 5.696 1.00 0.00 C ATOM 1756 O LYS B 647 -3.215 -12.279 5.547 1.00 0.00 O ATOM 1757 CB LYS B 647 -4.398 -10.231 3.706 1.00 0.00 C ATOM 1758 CG LYS B 647 -5.728 -9.612 3.264 1.00 0.00 C ATOM 1759 CD LYS B 647 -5.835 -9.633 1.730 1.00 0.00 C ATOM 1760 CE LYS B 647 -6.289 -11.017 1.248 1.00 0.00 C ATOM 1761 NZ LYS B 647 -6.589 -10.957 -0.210 1.00 0.00 N ATOM 0 H LYS B 647 -3.353 -8.242 5.014 1.00 0.00 H new ATOM 0 HA LYS B 647 -5.226 -10.467 5.678 1.00 0.00 H new ATOM 0 HB2 LYS B 647 -3.566 -9.702 3.241 1.00 0.00 H new ATOM 0 HB3 LYS B 647 -4.340 -11.268 3.377 1.00 0.00 H new ATOM 0 HG2 LYS B 647 -6.559 -10.165 3.702 1.00 0.00 H new ATOM 0 HG3 LYS B 647 -5.800 -8.587 3.628 1.00 0.00 H new ATOM 0 HD2 LYS B 647 -6.543 -8.874 1.397 1.00 0.00 H new ATOM 0 HD3 LYS B 647 -4.870 -9.385 1.288 1.00 0.00 H new ATOM 0 HE2 LYS B 647 -5.511 -11.755 1.441 1.00 0.00 H new ATOM 0 HE3 LYS B 647 -7.173 -11.335 1.800 1.00 0.00 H new ATOM 0 HZ1 LYS B 647 -6.897 -11.894 -0.540 1.00 0.00 H new ATOM 0 HZ2 LYS B 647 -7.345 -10.264 -0.381 1.00 0.00 H new ATOM 0 HZ3 LYS B 647 -5.734 -10.671 -0.729 1.00 0.00 H new ATOM 1775 N HIS B 648 -2.113 -10.506 6.261 1.00 0.00 N ATOM 1776 CA HIS B 648 -0.956 -11.322 6.750 1.00 0.00 C ATOM 1777 C HIS B 648 -0.884 -11.239 8.276 1.00 0.00 C ATOM 1778 O HIS B 648 0.092 -11.632 8.883 1.00 0.00 O ATOM 1779 CB HIS B 648 0.338 -10.762 6.155 1.00 0.00 C ATOM 1780 CG HIS B 648 0.278 -10.846 4.655 1.00 0.00 C ATOM 1781 ND1 HIS B 648 -0.681 -11.598 3.995 1.00 0.00 N ATOM 1782 CD2 HIS B 648 1.051 -10.278 3.672 1.00 0.00 C ATOM 1783 CE1 HIS B 648 -0.463 -11.465 2.674 1.00 0.00 C ATOM 1784 NE2 HIS B 648 0.581 -10.670 2.422 1.00 0.00 N ATOM 0 H HIS B 648 -2.017 -9.501 6.406 1.00 0.00 H new ATOM 0 HA HIS B 648 -1.085 -12.361 6.446 1.00 0.00 H new ATOM 0 HB2 HIS B 648 0.476 -9.727 6.467 1.00 0.00 H new ATOM 0 HB3 HIS B 648 1.195 -11.324 6.527 1.00 0.00 H new ATOM 0 HD2 HIS B 648 1.895 -9.626 3.843 1.00 0.00 H new ATOM 0 HE1 HIS B 648 -1.059 -11.943 1.910 1.00 0.00 H new ATOM 0 HE2 HIS B 648 0.953 -10.407 1.510 1.00 0.00 H new ATOM 1792 N MET B 649 -1.913 -10.727 8.902 1.00 0.00 N ATOM 1793 CA MET B 649 -1.910 -10.614 10.393 1.00 0.00 C ATOM 1794 C MET B 649 -2.623 -11.824 10.998 1.00 0.00 C ATOM 1795 O MET B 649 -3.728 -12.160 10.620 1.00 0.00 O ATOM 1796 CB MET B 649 -2.642 -9.335 10.806 1.00 0.00 C ATOM 1797 CG MET B 649 -2.403 -9.068 12.294 1.00 0.00 C ATOM 1798 SD MET B 649 -0.686 -8.548 12.553 1.00 0.00 S ATOM 1799 CE MET B 649 -0.774 -6.958 11.690 1.00 0.00 C ATOM 0 H MET B 649 -2.757 -10.382 8.445 1.00 0.00 H new ATOM 0 HA MET B 649 -0.882 -10.580 10.753 1.00 0.00 H new ATOM 0 HB2 MET B 649 -2.287 -8.492 10.213 1.00 0.00 H new ATOM 0 HB3 MET B 649 -3.710 -9.435 10.610 1.00 0.00 H new ATOM 0 HG2 MET B 649 -3.085 -8.295 12.649 1.00 0.00 H new ATOM 0 HG3 MET B 649 -2.612 -9.968 12.873 1.00 0.00 H new ATOM 0 HE1 MET B 649 -0.083 -6.254 12.154 1.00 0.00 H new ATOM 0 HE2 MET B 649 -0.503 -7.097 10.643 1.00 0.00 H new ATOM 0 HE3 MET B 649 -1.789 -6.566 11.753 1.00 0.00 H new ATOM 1809 N ASN B 650 -1.998 -12.483 11.935 1.00 0.00 N ATOM 1810 CA ASN B 650 -2.638 -13.671 12.565 1.00 0.00 C ATOM 1811 C ASN B 650 -1.809 -14.115 13.772 1.00 0.00 C ATOM 1812 O ASN B 650 -0.787 -14.749 13.564 1.00 0.00 O ATOM 1813 CB ASN B 650 -2.709 -14.812 11.548 1.00 0.00 C ATOM 1814 CG ASN B 650 -3.464 -15.994 12.157 1.00 0.00 C ATOM 1815 OD1 ASN B 650 -2.886 -16.808 12.849 1.00 0.00 O ATOM 1816 ND2 ASN B 650 -4.742 -16.122 11.930 1.00 0.00 N ATOM 1817 OXT ASN B 650 -2.210 -13.814 14.884 1.00 0.00 O ATOM 0 H ASN B 650 -1.071 -12.249 12.291 1.00 0.00 H new ATOM 0 HA ASN B 650 -3.645 -13.412 12.890 1.00 0.00 H new ATOM 0 HB2 ASN B 650 -3.212 -14.474 10.642 1.00 0.00 H new ATOM 0 HB3 ASN B 650 -1.704 -15.119 11.260 1.00 0.00 H new ATOM 0 HD21 ASN B 650 -5.256 -16.905 12.334 1.00 0.00 H new ATOM 0 HD22 ASN B 650 -5.228 -15.439 11.349 1.00 0.00 H new