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 628 LYS NZ :NH3+ -143:sc= 1.12 (180deg=0) USER MOD Set 1.2: B 637 ASN : amide:sc= 0.577 K(o=1.7,f=-10!) USER MOD Single : A 304 SER OG : rot 180:sc= 0 USER MOD Single : A 305 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.178) USER MOD Single : A 306 MET CE :methyl 176:sc= -0.499 (180deg=-0.51) USER MOD Single : A 307 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.61) USER MOD Single : A 308 GLN : amide:sc= 0 X(o=0,f=-0.0026) 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 89:sc= 0.969 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 151:sc= 0 (180deg=-0.393) USER MOD Single : B 626 LYS NZ :NH3+ 180:sc= -1.07! (180deg=-1.07!) USER MOD Single : B 630 SER OG : rot 180:sc=-0.00514 USER MOD Single : B 642 GLN : amide:sc= -0.534 K(o=-0.53,f=0) USER MOD Single : B 646 ASN : amide:sc= -4.61! C(o=-4.6!,f=-12!) USER MOD Single : B 647 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 648 HIS : no HD1:sc= -1.19 X(o=-1.2,f=-1) USER MOD Single : B 649 MET CE :methyl 170:sc= 0 (180deg=-0.0512) USER MOD Single : B 650 ASN : amide:sc= -3.41! C(o=-3.4!,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 338 N GLU A 301 18.073 -2.136 -0.836 1.00 0.00 N ATOM 339 CA GLU A 301 17.899 -3.330 -1.706 1.00 0.00 C ATOM 340 C GLU A 301 16.399 -3.445 -1.960 1.00 0.00 C ATOM 341 O GLU A 301 15.937 -4.092 -2.881 1.00 0.00 O ATOM 342 CB GLU A 301 18.413 -4.586 -1.000 1.00 0.00 C ATOM 343 CG GLU A 301 19.939 -4.539 -0.918 1.00 0.00 C ATOM 344 CD GLU A 301 20.366 -3.383 -0.012 1.00 0.00 C ATOM 345 OE1 GLU A 301 19.808 -3.266 1.067 1.00 0.00 O ATOM 346 OE2 GLU A 301 21.240 -2.634 -0.412 1.00 0.00 O ATOM 0 HA GLU A 301 18.459 -3.231 -2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 301 17.987 -4.653 0.001 1.00 0.00 H new ATOM 0 HB3 GLU A 301 18.095 -5.476 -1.542 1.00 0.00 H new ATOM 0 HG2 GLU A 301 20.322 -5.482 -0.527 1.00 0.00 H new ATOM 0 HG3 GLU A 301 20.364 -4.411 -1.914 1.00 0.00 H new ATOM 353 N PHE A 302 15.647 -2.758 -1.137 1.00 0.00 N ATOM 354 CA PHE A 302 14.174 -2.748 -1.288 1.00 0.00 C ATOM 355 C PHE A 302 13.798 -1.820 -2.447 1.00 0.00 C ATOM 356 O PHE A 302 13.310 -2.260 -3.468 1.00 0.00 O ATOM 357 CB PHE A 302 13.530 -2.264 0.033 1.00 0.00 C ATOM 358 CG PHE A 302 12.245 -3.020 0.311 1.00 0.00 C ATOM 359 CD1 PHE A 302 11.362 -3.316 -0.736 1.00 0.00 C ATOM 360 CD2 PHE A 302 11.937 -3.421 1.618 1.00 0.00 C ATOM 361 CE1 PHE A 302 10.175 -4.011 -0.475 1.00 0.00 C ATOM 362 CE2 PHE A 302 10.750 -4.116 1.878 1.00 0.00 C ATOM 363 CZ PHE A 302 9.868 -4.411 0.831 1.00 0.00 C ATOM 0 H PHE A 302 16.002 -2.200 -0.361 1.00 0.00 H new ATOM 0 HA PHE A 302 13.808 -3.751 -1.507 1.00 0.00 H new ATOM 0 HB2 PHE A 302 14.228 -2.408 0.858 1.00 0.00 H new ATOM 0 HB3 PHE A 302 13.323 -1.195 -0.027 1.00 0.00 H new ATOM 0 HD1 PHE A 302 11.597 -3.008 -1.744 1.00 0.00 H new ATOM 0 HD2 PHE A 302 12.617 -3.193 2.426 1.00 0.00 H new ATOM 0 HE1 PHE A 302 9.495 -4.239 -1.283 1.00 0.00 H new ATOM 0 HE2 PHE A 302 10.514 -4.425 2.886 1.00 0.00 H new ATOM 0 HZ PHE A 302 8.952 -4.947 1.031 1.00 0.00 H new ATOM 373 N CYS A 303 14.028 -0.543 -2.306 1.00 0.00 N ATOM 374 CA CYS A 303 13.686 0.396 -3.411 1.00 0.00 C ATOM 375 C CYS A 303 14.501 0.010 -4.655 1.00 0.00 C ATOM 376 O CYS A 303 14.088 0.231 -5.777 1.00 0.00 O ATOM 377 CB CYS A 303 14.003 1.843 -2.969 1.00 0.00 C ATOM 378 SG CYS A 303 12.515 2.873 -3.114 1.00 0.00 S ATOM 0 H CYS A 303 14.436 -0.111 -1.477 1.00 0.00 H new ATOM 0 HA CYS A 303 12.624 0.336 -3.651 1.00 0.00 H new ATOM 0 HB2 CYS A 303 14.360 1.848 -1.939 1.00 0.00 H new ATOM 0 HB3 CYS A 303 14.802 2.254 -3.586 1.00 0.00 H new ATOM 383 N SER A 304 15.663 -0.543 -4.451 1.00 0.00 N ATOM 384 CA SER A 304 16.531 -0.928 -5.600 1.00 0.00 C ATOM 385 C SER A 304 15.834 -1.949 -6.511 1.00 0.00 C ATOM 386 O SER A 304 15.954 -1.876 -7.721 1.00 0.00 O ATOM 387 CB SER A 304 17.831 -1.535 -5.073 1.00 0.00 C ATOM 388 OG SER A 304 18.806 -1.523 -6.107 1.00 0.00 O ATOM 0 H SER A 304 16.053 -0.747 -3.531 1.00 0.00 H new ATOM 0 HA SER A 304 16.738 -0.031 -6.183 1.00 0.00 H new ATOM 0 HB2 SER A 304 18.189 -0.968 -4.213 1.00 0.00 H new ATOM 0 HB3 SER A 304 17.658 -2.556 -4.732 1.00 0.00 H new ATOM 0 HG SER A 304 19.642 -1.910 -5.773 1.00 0.00 H new ATOM 394 N LYS A 305 15.087 -2.886 -5.958 1.00 0.00 N ATOM 395 CA LYS A 305 14.386 -3.891 -6.839 1.00 0.00 C ATOM 396 C LYS A 305 12.903 -3.536 -6.948 1.00 0.00 C ATOM 397 O LYS A 305 12.231 -3.912 -7.901 1.00 0.00 O ATOM 398 CB LYS A 305 14.558 -5.310 -6.293 1.00 0.00 C ATOM 399 CG LYS A 305 16.046 -5.658 -6.213 1.00 0.00 C ATOM 400 CD LYS A 305 16.217 -6.999 -5.495 1.00 0.00 C ATOM 401 CE LYS A 305 17.642 -7.514 -5.706 1.00 0.00 C ATOM 402 NZ LYS A 305 18.609 -6.572 -5.075 1.00 0.00 N ATOM 0 H LYS A 305 14.934 -2.999 -4.956 1.00 0.00 H new ATOM 0 HA LYS A 305 14.835 -3.858 -7.832 1.00 0.00 H new ATOM 0 HB2 LYS A 305 14.104 -5.387 -5.305 1.00 0.00 H new ATOM 0 HB3 LYS A 305 14.043 -6.022 -6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 305 16.472 -5.712 -7.215 1.00 0.00 H new ATOM 0 HG3 LYS A 305 16.585 -4.876 -5.679 1.00 0.00 H new ATOM 0 HD2 LYS A 305 16.016 -6.882 -4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 305 15.497 -7.723 -5.878 1.00 0.00 H new ATOM 0 HE2 LYS A 305 17.749 -8.508 -5.271 1.00 0.00 H new ATOM 0 HE3 LYS A 305 17.852 -7.608 -6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 305 19.557 -7.000 -5.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 305 18.634 -5.685 -5.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 305 18.312 -6.372 -4.098 1.00 0.00 H new ATOM 416 N MET A 306 12.384 -2.765 -6.044 1.00 0.00 N ATOM 417 CA MET A 306 10.964 -2.373 -6.181 1.00 0.00 C ATOM 418 C MET A 306 10.881 -1.405 -7.358 1.00 0.00 C ATOM 419 O MET A 306 9.848 -1.269 -7.983 1.00 0.00 O ATOM 420 CB MET A 306 10.466 -1.702 -4.880 1.00 0.00 C ATOM 421 CG MET A 306 9.646 -2.692 -4.044 1.00 0.00 C ATOM 422 SD MET A 306 9.099 -1.877 -2.521 1.00 0.00 S ATOM 423 CE MET A 306 7.504 -2.718 -2.364 1.00 0.00 C ATOM 0 H MET A 306 12.872 -2.394 -5.229 1.00 0.00 H new ATOM 0 HA MET A 306 10.332 -3.243 -6.357 1.00 0.00 H new ATOM 0 HB2 MET A 306 11.317 -1.344 -4.300 1.00 0.00 H new ATOM 0 HB3 MET A 306 9.857 -0.831 -5.123 1.00 0.00 H new ATOM 0 HG2 MET A 306 8.784 -3.041 -4.613 1.00 0.00 H new ATOM 0 HG3 MET A 306 10.247 -3.570 -3.805 1.00 0.00 H new ATOM 0 HE1 MET A 306 7.021 -2.411 -1.436 1.00 0.00 H new ATOM 0 HE2 MET A 306 6.868 -2.453 -3.209 1.00 0.00 H new ATOM 0 HE3 MET A 306 7.661 -3.797 -2.352 1.00 0.00 H new ATOM 433 N ASN A 307 11.975 -0.740 -7.689 1.00 0.00 N ATOM 434 CA ASN A 307 11.937 0.197 -8.853 1.00 0.00 C ATOM 435 C ASN A 307 12.282 -0.626 -10.094 1.00 0.00 C ATOM 436 O ASN A 307 11.692 -0.471 -11.142 1.00 0.00 O ATOM 437 CB ASN A 307 12.950 1.328 -8.663 1.00 0.00 C ATOM 438 CG ASN A 307 12.439 2.300 -7.598 1.00 0.00 C ATOM 439 OD1 ASN A 307 11.379 2.877 -7.742 1.00 0.00 O ATOM 440 ND2 ASN A 307 13.154 2.509 -6.527 1.00 0.00 N ATOM 0 H ASN A 307 12.872 -0.809 -7.209 1.00 0.00 H new ATOM 0 HA ASN A 307 10.953 0.656 -8.951 1.00 0.00 H new ATOM 0 HB2 ASN A 307 13.915 0.919 -8.364 1.00 0.00 H new ATOM 0 HB3 ASN A 307 13.105 1.853 -9.605 1.00 0.00 H new ATOM 0 HD21 ASN A 307 12.823 3.156 -5.811 1.00 0.00 H new ATOM 0 HD22 ASN A 307 14.044 2.025 -6.405 1.00 0.00 H new ATOM 447 N GLN A 308 13.244 -1.529 -9.944 1.00 0.00 N ATOM 448 CA GLN A 308 13.663 -2.431 -11.077 1.00 0.00 C ATOM 449 C GLN A 308 12.444 -2.773 -11.926 1.00 0.00 C ATOM 450 O GLN A 308 12.515 -2.870 -13.135 1.00 0.00 O ATOM 451 CB GLN A 308 14.231 -3.735 -10.500 1.00 0.00 C ATOM 452 CG GLN A 308 14.441 -4.756 -11.624 1.00 0.00 C ATOM 453 CD GLN A 308 15.353 -5.884 -11.134 1.00 0.00 C ATOM 454 OE1 GLN A 308 15.125 -6.453 -10.085 1.00 0.00 O ATOM 455 NE2 GLN A 308 16.383 -6.232 -11.854 1.00 0.00 N ATOM 0 H GLN A 308 13.758 -1.676 -9.075 1.00 0.00 H new ATOM 0 HA GLN A 308 14.415 -1.926 -11.683 1.00 0.00 H new ATOM 0 HB2 GLN A 308 15.177 -3.538 -9.995 1.00 0.00 H new ATOM 0 HB3 GLN A 308 13.549 -4.140 -9.752 1.00 0.00 H new ATOM 0 HG2 GLN A 308 13.481 -5.164 -11.942 1.00 0.00 H new ATOM 0 HG3 GLN A 308 14.884 -4.269 -12.493 1.00 0.00 H new ATOM 0 HE21 GLN A 308 16.574 -5.754 -12.735 1.00 0.00 H new ATOM 0 HE22 GLN A 308 16.997 -6.982 -11.537 1.00 0.00 H new ATOM 464 N VAL A 309 11.315 -2.943 -11.285 1.00 0.00 N ATOM 465 CA VAL A 309 10.065 -3.262 -12.041 1.00 0.00 C ATOM 466 C VAL A 309 9.937 -2.316 -13.247 1.00 0.00 C ATOM 467 O VAL A 309 9.145 -2.534 -14.141 1.00 0.00 O ATOM 468 CB VAL A 309 8.848 -3.074 -11.128 1.00 0.00 C ATOM 469 CG1 VAL A 309 7.589 -3.547 -11.856 1.00 0.00 C ATOM 470 CG2 VAL A 309 9.029 -3.896 -9.851 1.00 0.00 C ATOM 0 H VAL A 309 11.205 -2.875 -10.273 1.00 0.00 H new ATOM 0 HA VAL A 309 10.110 -4.295 -12.385 1.00 0.00 H new ATOM 0 HB VAL A 309 8.751 -2.019 -10.871 1.00 0.00 H new ATOM 0 HG11 VAL A 309 6.723 -3.414 -11.208 1.00 0.00 H new ATOM 0 HG12 VAL A 309 7.454 -2.963 -12.767 1.00 0.00 H new ATOM 0 HG13 VAL A 309 7.692 -4.601 -12.113 1.00 0.00 H new ATOM 0 HG21 VAL A 309 8.162 -3.760 -9.205 1.00 0.00 H new ATOM 0 HG22 VAL A 309 9.128 -4.951 -10.108 1.00 0.00 H new ATOM 0 HG23 VAL A 309 9.926 -3.564 -9.329 1.00 0.00 H new ATOM 480 N CYS A 310 10.729 -1.275 -13.276 1.00 0.00 N ATOM 481 CA CYS A 310 10.683 -0.312 -14.416 1.00 0.00 C ATOM 482 C CYS A 310 11.637 -0.798 -15.519 1.00 0.00 C ATOM 483 O CYS A 310 12.002 -0.055 -16.407 1.00 0.00 O ATOM 484 CB CYS A 310 11.112 1.089 -13.911 1.00 0.00 C ATOM 485 SG CYS A 310 9.783 2.289 -14.199 1.00 0.00 S ATOM 0 H CYS A 310 11.411 -1.050 -12.552 1.00 0.00 H new ATOM 0 HA CYS A 310 9.673 -0.250 -14.821 1.00 0.00 H new ATOM 0 HB2 CYS A 310 11.348 1.044 -12.848 1.00 0.00 H new ATOM 0 HB3 CYS A 310 12.018 1.408 -14.426 1.00 0.00 H new ATOM 490 N GLY A 311 12.046 -2.036 -15.462 1.00 0.00 N ATOM 491 CA GLY A 311 12.979 -2.562 -16.501 1.00 0.00 C ATOM 492 C GLY A 311 12.379 -2.351 -17.893 1.00 0.00 C ATOM 493 O GLY A 311 11.233 -2.671 -18.138 1.00 0.00 O ATOM 0 H GLY A 311 11.775 -2.706 -14.742 1.00 0.00 H new ATOM 0 HA2 GLY A 311 13.941 -2.055 -16.429 1.00 0.00 H new ATOM 0 HA3 GLY A 311 13.165 -3.623 -16.332 1.00 0.00 H new ATOM 928 N GLY B 593 -6.679 6.018 -0.508 1.00 0.00 N ATOM 929 CA GLY B 593 -5.496 5.284 -1.038 1.00 0.00 C ATOM 930 C GLY B 593 -4.420 6.289 -1.451 1.00 0.00 C ATOM 931 O GLY B 593 -4.384 6.746 -2.576 1.00 0.00 O ATOM 0 HA2 GLY B 593 -5.105 4.606 -0.279 1.00 0.00 H new ATOM 0 HA3 GLY B 593 -5.786 4.673 -1.893 1.00 0.00 H new ATOM 935 N SER B 594 -3.544 6.641 -0.549 1.00 0.00 N ATOM 936 CA SER B 594 -2.477 7.621 -0.896 1.00 0.00 C ATOM 937 C SER B 594 -1.367 6.930 -1.678 1.00 0.00 C ATOM 938 O SER B 594 -1.273 5.720 -1.724 1.00 0.00 O ATOM 939 CB SER B 594 -1.877 8.228 0.368 1.00 0.00 C ATOM 940 OG SER B 594 -2.851 9.035 1.016 1.00 0.00 O ATOM 0 H SER B 594 -3.521 6.293 0.410 1.00 0.00 H new ATOM 0 HA SER B 594 -2.925 8.409 -1.502 1.00 0.00 H new ATOM 0 HB2 SER B 594 -1.540 7.438 1.039 1.00 0.00 H new ATOM 0 HB3 SER B 594 -1.002 8.827 0.116 1.00 0.00 H new ATOM 0 HG SER B 594 -2.466 9.423 1.829 1.00 0.00 H new ATOM 946 N LEU B 595 -0.525 7.707 -2.292 1.00 0.00 N ATOM 947 CA LEU B 595 0.601 7.147 -3.086 1.00 0.00 C ATOM 948 C LEU B 595 1.839 7.038 -2.193 1.00 0.00 C ATOM 949 O LEU B 595 2.328 8.029 -1.688 1.00 0.00 O ATOM 950 CB LEU B 595 0.890 8.109 -4.238 1.00 0.00 C ATOM 951 CG LEU B 595 -0.131 7.895 -5.362 1.00 0.00 C ATOM 952 CD1 LEU B 595 -1.549 7.980 -4.793 1.00 0.00 C ATOM 953 CD2 LEU B 595 0.057 8.976 -6.429 1.00 0.00 C ATOM 0 H LEU B 595 -0.570 8.726 -2.277 1.00 0.00 H new ATOM 0 HA LEU B 595 0.346 6.159 -3.470 1.00 0.00 H new ATOM 0 HB2 LEU B 595 0.844 9.139 -3.884 1.00 0.00 H new ATOM 0 HB3 LEU B 595 1.900 7.946 -4.615 1.00 0.00 H new ATOM 0 HG LEU B 595 0.020 6.911 -5.807 1.00 0.00 H new ATOM 0 HD11 LEU B 595 -2.272 7.828 -5.594 1.00 0.00 H new ATOM 0 HD12 LEU B 595 -1.683 7.211 -4.032 1.00 0.00 H new ATOM 0 HD13 LEU B 595 -1.704 8.962 -4.347 1.00 0.00 H new ATOM 0 HD21 LEU B 595 -0.667 8.827 -7.230 1.00 0.00 H new ATOM 0 HD22 LEU B 595 -0.094 9.959 -5.982 1.00 0.00 H new ATOM 0 HD23 LEU B 595 1.066 8.914 -6.836 1.00 0.00 H new ATOM 965 N LEU B 596 2.350 5.843 -1.993 1.00 0.00 N ATOM 966 CA LEU B 596 3.566 5.667 -1.129 1.00 0.00 C ATOM 967 C LEU B 596 4.622 4.872 -1.920 1.00 0.00 C ATOM 968 O LEU B 596 4.306 4.190 -2.874 1.00 0.00 O ATOM 969 CB LEU B 596 3.188 4.935 0.187 1.00 0.00 C ATOM 970 CG LEU B 596 1.668 5.041 0.457 1.00 0.00 C ATOM 971 CD1 LEU B 596 0.928 3.916 -0.281 1.00 0.00 C ATOM 972 CD2 LEU B 596 1.400 4.916 1.964 1.00 0.00 C ATOM 0 H LEU B 596 1.977 4.981 -2.391 1.00 0.00 H new ATOM 0 HA LEU B 596 3.977 6.640 -0.859 1.00 0.00 H new ATOM 0 HB2 LEU B 596 3.478 3.886 0.121 1.00 0.00 H new ATOM 0 HB3 LEU B 596 3.741 5.367 1.021 1.00 0.00 H new ATOM 0 HG LEU B 596 1.311 6.007 0.100 1.00 0.00 H new ATOM 0 HD11 LEU B 596 -0.142 3.996 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU B 596 1.110 4.002 -1.352 1.00 0.00 H new ATOM 0 HD13 LEU B 596 1.290 2.950 0.072 1.00 0.00 H new ATOM 0 HD21 LEU B 596 0.329 4.991 2.150 1.00 0.00 H new ATOM 0 HD22 LEU B 596 1.763 3.952 2.319 1.00 0.00 H new ATOM 0 HD23 LEU B 596 1.917 5.716 2.493 1.00 0.00 H new ATOM 984 N ARG B 597 5.879 4.982 -1.548 1.00 0.00 N ATOM 985 CA ARG B 597 6.966 4.265 -2.294 1.00 0.00 C ATOM 986 C ARG B 597 7.409 2.992 -1.552 1.00 0.00 C ATOM 987 O ARG B 597 6.605 2.273 -0.992 1.00 0.00 O ATOM 988 CB ARG B 597 8.173 5.202 -2.458 1.00 0.00 C ATOM 989 CG ARG B 597 7.736 6.542 -3.102 1.00 0.00 C ATOM 990 CD ARG B 597 7.449 7.592 -2.018 1.00 0.00 C ATOM 991 NE ARG B 597 6.969 8.849 -2.659 1.00 0.00 N ATOM 992 CZ ARG B 597 6.392 9.771 -1.936 1.00 0.00 C ATOM 993 NH1 ARG B 597 6.227 9.587 -0.655 1.00 0.00 N ATOM 994 NH2 ARG B 597 5.978 10.874 -2.496 1.00 0.00 N ATOM 0 H ARG B 597 6.199 5.540 -0.756 1.00 0.00 H new ATOM 0 HA ARG B 597 6.576 3.974 -3.269 1.00 0.00 H new ATOM 0 HB2 ARG B 597 8.629 5.390 -1.486 1.00 0.00 H new ATOM 0 HB3 ARG B 597 8.931 4.724 -3.078 1.00 0.00 H new ATOM 0 HG2 ARG B 597 8.519 6.904 -3.769 1.00 0.00 H new ATOM 0 HG3 ARG B 597 6.845 6.386 -3.711 1.00 0.00 H new ATOM 0 HD2 ARG B 597 6.699 7.216 -1.322 1.00 0.00 H new ATOM 0 HD3 ARG B 597 8.351 7.788 -1.439 1.00 0.00 H new ATOM 0 HE ARG B 597 7.091 8.989 -3.662 1.00 0.00 H new ATOM 0 HH11 ARG B 597 6.549 8.723 -0.218 1.00 0.00 H new ATOM 0 HH12 ARG B 597 5.776 10.307 -0.090 1.00 0.00 H new ATOM 0 HH21 ARG B 597 6.105 11.016 -3.498 1.00 0.00 H new ATOM 0 HH22 ARG B 597 5.527 11.594 -1.932 1.00 0.00 H new ATOM 1008 N CYS B 598 8.687 2.695 -1.585 1.00 0.00 N ATOM 1009 CA CYS B 598 9.210 1.452 -0.929 1.00 0.00 C ATOM 1010 C CYS B 598 9.241 1.595 0.598 1.00 0.00 C ATOM 1011 O CYS B 598 8.227 1.494 1.258 1.00 0.00 O ATOM 1012 CB CYS B 598 10.629 1.182 -1.438 1.00 0.00 C ATOM 1013 SG CYS B 598 11.613 2.700 -1.314 1.00 0.00 S ATOM 0 H CYS B 598 9.397 3.266 -2.043 1.00 0.00 H new ATOM 0 HA CYS B 598 8.546 0.624 -1.179 1.00 0.00 H new ATOM 0 HB2 CYS B 598 11.092 0.387 -0.853 1.00 0.00 H new ATOM 0 HB3 CYS B 598 10.597 0.840 -2.472 1.00 0.00 H new ATOM 1018 N SER B 599 10.408 1.811 1.165 1.00 0.00 N ATOM 1019 CA SER B 599 10.522 1.945 2.652 1.00 0.00 C ATOM 1020 C SER B 599 9.402 2.847 3.169 1.00 0.00 C ATOM 1021 O SER B 599 9.074 2.864 4.348 1.00 0.00 O ATOM 1022 CB SER B 599 11.877 2.560 3.004 1.00 0.00 C ATOM 1023 OG SER B 599 11.900 2.886 4.388 1.00 0.00 O ATOM 0 H SER B 599 11.288 1.900 0.658 1.00 0.00 H new ATOM 0 HA SER B 599 10.438 0.962 3.114 1.00 0.00 H new ATOM 0 HB2 SER B 599 12.679 1.860 2.770 1.00 0.00 H new ATOM 0 HB3 SER B 599 12.050 3.454 2.405 1.00 0.00 H new ATOM 0 HG SER B 599 12.768 3.279 4.617 1.00 0.00 H new ATOM 1029 N GLU B 600 8.801 3.586 2.281 1.00 0.00 N ATOM 1030 CA GLU B 600 7.687 4.484 2.666 1.00 0.00 C ATOM 1031 C GLU B 600 6.748 3.733 3.617 1.00 0.00 C ATOM 1032 O GLU B 600 6.255 4.257 4.604 1.00 0.00 O ATOM 1033 CB GLU B 600 6.925 4.860 1.377 1.00 0.00 C ATOM 1034 CG GLU B 600 6.356 6.285 1.491 1.00 0.00 C ATOM 1035 CD GLU B 600 7.499 7.302 1.477 1.00 0.00 C ATOM 1036 OE1 GLU B 600 8.469 7.065 0.775 1.00 0.00 O ATOM 1037 OE2 GLU B 600 7.384 8.301 2.168 1.00 0.00 O ATOM 0 H GLU B 600 9.041 3.604 1.290 1.00 0.00 H new ATOM 0 HA GLU B 600 8.059 5.379 3.164 1.00 0.00 H new ATOM 0 HB2 GLU B 600 7.594 4.796 0.519 1.00 0.00 H new ATOM 0 HB3 GLU B 600 6.116 4.150 1.204 1.00 0.00 H new ATOM 0 HG2 GLU B 600 5.673 6.481 0.665 1.00 0.00 H new ATOM 0 HG3 GLU B 600 5.780 6.384 2.411 1.00 0.00 H new ATOM 1044 N ILE B 601 6.488 2.488 3.299 1.00 0.00 N ATOM 1045 CA ILE B 601 5.574 1.692 4.146 1.00 0.00 C ATOM 1046 C ILE B 601 6.273 1.422 5.480 1.00 0.00 C ATOM 1047 O ILE B 601 5.644 1.343 6.517 1.00 0.00 O ATOM 1048 CB ILE B 601 5.209 0.373 3.405 1.00 0.00 C ATOM 1049 CG1 ILE B 601 3.847 0.523 2.709 1.00 0.00 C ATOM 1050 CG2 ILE B 601 5.127 -0.814 4.371 1.00 0.00 C ATOM 1051 CD1 ILE B 601 3.978 1.498 1.539 1.00 0.00 C ATOM 0 H ILE B 601 6.872 1.998 2.491 1.00 0.00 H new ATOM 0 HA ILE B 601 4.646 2.229 4.342 1.00 0.00 H new ATOM 0 HB ILE B 601 5.996 0.183 2.675 1.00 0.00 H new ATOM 0 HG12 ILE B 601 3.500 -0.447 2.351 1.00 0.00 H new ATOM 0 HG13 ILE B 601 3.102 0.886 3.417 1.00 0.00 H new ATOM 0 HG21 ILE B 601 4.870 -1.717 3.817 1.00 0.00 H new ATOM 0 HG22 ILE B 601 6.091 -0.951 4.862 1.00 0.00 H new ATOM 0 HG23 ILE B 601 4.362 -0.619 5.122 1.00 0.00 H new ATOM 0 HD11 ILE B 601 3.012 1.605 1.045 1.00 0.00 H new ATOM 0 HD12 ILE B 601 4.306 2.469 1.910 1.00 0.00 H new ATOM 0 HD13 ILE B 601 4.710 1.116 0.827 1.00 0.00 H new ATOM 1063 N TRP B 602 7.584 1.277 5.451 1.00 0.00 N ATOM 1064 CA TRP B 602 8.342 1.017 6.712 1.00 0.00 C ATOM 1065 C TRP B 602 7.818 1.967 7.773 1.00 0.00 C ATOM 1066 O TRP B 602 7.655 1.612 8.923 1.00 0.00 O ATOM 1067 CB TRP B 602 9.838 1.264 6.492 1.00 0.00 C ATOM 1068 CG TRP B 602 10.612 0.717 7.650 1.00 0.00 C ATOM 1069 CD1 TRP B 602 11.231 1.466 8.591 1.00 0.00 C ATOM 1070 CD2 TRP B 602 10.865 -0.674 8.004 1.00 0.00 C ATOM 1071 NE1 TRP B 602 11.845 0.625 9.501 1.00 0.00 N ATOM 1072 CE2 TRP B 602 11.648 -0.703 9.183 1.00 0.00 C ATOM 1073 CE3 TRP B 602 10.494 -1.901 7.424 1.00 0.00 C ATOM 1074 CZ2 TRP B 602 12.049 -1.906 9.765 1.00 0.00 C ATOM 1075 CZ3 TRP B 602 10.896 -3.114 8.007 1.00 0.00 C ATOM 1076 CH2 TRP B 602 11.672 -3.116 9.175 1.00 0.00 C ATOM 0 H TRP B 602 8.154 1.329 4.607 1.00 0.00 H new ATOM 0 HA TRP B 602 8.209 -0.019 7.023 1.00 0.00 H new ATOM 0 HB2 TRP B 602 10.163 0.788 5.567 1.00 0.00 H new ATOM 0 HB3 TRP B 602 10.029 2.332 6.386 1.00 0.00 H new ATOM 0 HD1 TRP B 602 11.244 2.545 8.626 1.00 0.00 H new ATOM 0 HE1 TRP B 602 12.378 0.947 10.309 1.00 0.00 H new ATOM 0 HE3 TRP B 602 9.896 -1.910 6.525 1.00 0.00 H new ATOM 0 HZ2 TRP B 602 12.646 -1.902 10.665 1.00 0.00 H new ATOM 0 HZ3 TRP B 602 10.606 -4.050 7.553 1.00 0.00 H new ATOM 0 HH2 TRP B 602 11.978 -4.052 9.619 1.00 0.00 H new ATOM 1087 N ASP B 603 7.507 3.170 7.379 1.00 0.00 N ATOM 1088 CA ASP B 603 6.937 4.132 8.355 1.00 0.00 C ATOM 1089 C ASP B 603 5.532 3.643 8.718 1.00 0.00 C ATOM 1090 O ASP B 603 5.152 3.618 9.871 1.00 0.00 O ATOM 1091 CB ASP B 603 6.862 5.524 7.726 1.00 0.00 C ATOM 1092 CG ASP B 603 6.477 6.547 8.795 1.00 0.00 C ATOM 1093 OD1 ASP B 603 7.264 6.750 9.704 1.00 0.00 O ATOM 1094 OD2 ASP B 603 5.401 7.111 8.685 1.00 0.00 O ATOM 0 H ASP B 603 7.623 3.525 6.430 1.00 0.00 H new ATOM 0 HA ASP B 603 7.561 4.193 9.246 1.00 0.00 H new ATOM 0 HB2 ASP B 603 7.823 5.788 7.285 1.00 0.00 H new ATOM 0 HB3 ASP B 603 6.129 5.531 6.920 1.00 0.00 H new ATOM 1099 N ARG B 604 4.765 3.227 7.737 1.00 0.00 N ATOM 1100 CA ARG B 604 3.392 2.710 8.037 1.00 0.00 C ATOM 1101 C ARG B 604 3.509 1.562 9.050 1.00 0.00 C ATOM 1102 O ARG B 604 2.755 1.465 9.996 1.00 0.00 O ATOM 1103 CB ARG B 604 2.736 2.192 6.754 1.00 0.00 C ATOM 1104 CG ARG B 604 1.231 1.960 6.988 1.00 0.00 C ATOM 1105 CD ARG B 604 0.450 3.291 6.875 1.00 0.00 C ATOM 1106 NE ARG B 604 -0.540 3.399 7.996 1.00 0.00 N ATOM 1107 CZ ARG B 604 -1.336 2.406 8.296 1.00 0.00 C ATOM 1108 NH1 ARG B 604 -1.361 1.332 7.559 1.00 0.00 N ATOM 1109 NH2 ARG B 604 -2.136 2.507 9.322 1.00 0.00 N ATOM 0 H ARG B 604 5.027 3.223 6.751 1.00 0.00 H new ATOM 0 HA ARG B 604 2.780 3.513 8.447 1.00 0.00 H new ATOM 0 HB2 ARG B 604 2.880 2.910 5.947 1.00 0.00 H new ATOM 0 HB3 ARG B 604 3.212 1.262 6.443 1.00 0.00 H new ATOM 0 HG2 ARG B 604 0.850 1.246 6.258 1.00 0.00 H new ATOM 0 HG3 ARG B 604 1.074 1.523 7.974 1.00 0.00 H new ATOM 0 HD2 ARG B 604 1.142 4.133 6.907 1.00 0.00 H new ATOM 0 HD3 ARG B 604 -0.066 3.339 5.916 1.00 0.00 H new ATOM 0 HE ARG B 604 -0.594 4.263 8.535 1.00 0.00 H new ATOM 0 HH11 ARG B 604 -0.756 1.261 6.741 1.00 0.00 H new ATOM 0 HH12 ARG B 604 -1.985 0.562 7.800 1.00 0.00 H new ATOM 0 HH21 ARG B 604 -2.138 3.357 9.885 1.00 0.00 H new ATOM 0 HH22 ARG B 604 -2.759 1.736 9.561 1.00 0.00 H new ATOM 1123 N ILE B 605 4.470 0.704 8.849 1.00 0.00 N ATOM 1124 CA ILE B 605 4.696 -0.446 9.777 1.00 0.00 C ATOM 1125 C ILE B 605 5.283 0.057 11.099 1.00 0.00 C ATOM 1126 O ILE B 605 4.846 -0.329 12.166 1.00 0.00 O ATOM 1127 CB ILE B 605 5.682 -1.419 9.111 1.00 0.00 C ATOM 1128 CG1 ILE B 605 4.957 -2.169 7.985 1.00 0.00 C ATOM 1129 CG2 ILE B 605 6.203 -2.434 10.136 1.00 0.00 C ATOM 1130 CD1 ILE B 605 5.977 -2.828 7.053 1.00 0.00 C ATOM 0 H ILE B 605 5.122 0.750 8.066 1.00 0.00 H new ATOM 0 HA ILE B 605 3.751 -0.949 9.983 1.00 0.00 H new ATOM 0 HB ILE B 605 6.525 -0.856 8.710 1.00 0.00 H new ATOM 0 HG12 ILE B 605 4.296 -2.926 8.408 1.00 0.00 H new ATOM 0 HG13 ILE B 605 4.330 -1.478 7.421 1.00 0.00 H new ATOM 0 HG21 ILE B 605 6.900 -3.117 9.650 1.00 0.00 H new ATOM 0 HG22 ILE B 605 6.713 -1.907 10.942 1.00 0.00 H new ATOM 0 HG23 ILE B 605 5.366 -3.000 10.545 1.00 0.00 H new ATOM 0 HD11 ILE B 605 5.454 -3.358 6.257 1.00 0.00 H new ATOM 0 HD12 ILE B 605 6.620 -2.063 6.618 1.00 0.00 H new ATOM 0 HD13 ILE B 605 6.585 -3.533 7.620 1.00 0.00 H new ATOM 1142 N THR B 606 6.271 0.904 11.047 1.00 0.00 N ATOM 1143 CA THR B 606 6.877 1.406 12.310 1.00 0.00 C ATOM 1144 C THR B 606 5.819 2.138 13.139 1.00 0.00 C ATOM 1145 O THR B 606 5.661 1.888 14.319 1.00 0.00 O ATOM 1146 CB THR B 606 8.021 2.366 11.983 1.00 0.00 C ATOM 1147 OG1 THR B 606 8.876 1.769 11.019 1.00 0.00 O ATOM 1148 CG2 THR B 606 8.814 2.672 13.255 1.00 0.00 C ATOM 0 H THR B 606 6.684 1.269 10.189 1.00 0.00 H new ATOM 0 HA THR B 606 7.262 0.562 12.882 1.00 0.00 H new ATOM 0 HB THR B 606 7.614 3.294 11.582 1.00 0.00 H new ATOM 0 HG1 THR B 606 8.558 1.989 10.119 1.00 0.00 H new ATOM 0 HG21 THR B 606 9.629 3.356 13.020 1.00 0.00 H new ATOM 0 HG22 THR B 606 8.156 3.131 13.992 1.00 0.00 H new ATOM 0 HG23 THR B 606 9.223 1.746 13.660 1.00 0.00 H new ATOM 1267 N ILE B 614 3.948 -9.940 11.619 1.00 0.00 N ATOM 1268 CA ILE B 614 3.400 -9.755 10.238 1.00 0.00 C ATOM 1269 C ILE B 614 4.218 -10.601 9.252 1.00 0.00 C ATOM 1270 O ILE B 614 5.152 -11.276 9.634 1.00 0.00 O ATOM 1271 CB ILE B 614 3.498 -8.269 9.857 1.00 0.00 C ATOM 1272 CG1 ILE B 614 2.751 -7.432 10.903 1.00 0.00 C ATOM 1273 CG2 ILE B 614 2.879 -8.030 8.466 1.00 0.00 C ATOM 1274 CD1 ILE B 614 3.088 -5.951 10.708 1.00 0.00 C ATOM 0 HA ILE B 614 2.358 -10.071 10.203 1.00 0.00 H new ATOM 0 HB ILE B 614 4.547 -7.976 9.827 1.00 0.00 H new ATOM 0 HG12 ILE B 614 1.676 -7.587 10.808 1.00 0.00 H new ATOM 0 HG13 ILE B 614 3.031 -7.751 11.907 1.00 0.00 H new ATOM 0 HG21 ILE B 614 2.956 -6.973 8.210 1.00 0.00 H new ATOM 0 HG22 ILE B 614 3.413 -8.623 7.723 1.00 0.00 H new ATOM 0 HG23 ILE B 614 1.830 -8.325 8.479 1.00 0.00 H new ATOM 0 HD11 ILE B 614 2.557 -5.356 11.451 1.00 0.00 H new ATOM 0 HD12 ILE B 614 4.162 -5.804 10.825 1.00 0.00 H new ATOM 0 HD13 ILE B 614 2.785 -5.637 9.709 1.00 0.00 H new ATOM 1286 N ASP B 615 3.878 -10.557 7.985 1.00 0.00 N ATOM 1287 CA ASP B 615 4.627 -11.336 6.952 1.00 0.00 C ATOM 1288 C ASP B 615 5.221 -10.349 5.950 1.00 0.00 C ATOM 1289 O ASP B 615 4.523 -9.782 5.132 1.00 0.00 O ATOM 1290 CB ASP B 615 3.664 -12.281 6.228 1.00 0.00 C ATOM 1291 CG ASP B 615 3.120 -13.315 7.217 1.00 0.00 C ATOM 1292 OD1 ASP B 615 3.884 -13.762 8.055 1.00 0.00 O ATOM 1293 OD2 ASP B 615 1.949 -13.641 7.118 1.00 0.00 O ATOM 0 H ASP B 615 3.102 -10.006 7.620 1.00 0.00 H new ATOM 0 HA ASP B 615 5.417 -11.923 7.419 1.00 0.00 H new ATOM 0 HB2 ASP B 615 2.842 -11.714 5.790 1.00 0.00 H new ATOM 0 HB3 ASP B 615 4.178 -12.782 5.408 1.00 0.00 H new ATOM 1298 N VAL B 616 6.502 -10.143 6.006 1.00 0.00 N ATOM 1299 CA VAL B 616 7.145 -9.194 5.057 1.00 0.00 C ATOM 1300 C VAL B 616 7.356 -9.892 3.716 1.00 0.00 C ATOM 1301 O VAL B 616 7.598 -9.261 2.705 1.00 0.00 O ATOM 1302 CB VAL B 616 8.494 -8.746 5.622 1.00 0.00 C ATOM 1303 CG1 VAL B 616 9.049 -7.599 4.778 1.00 0.00 C ATOM 1304 CG2 VAL B 616 8.305 -8.271 7.064 1.00 0.00 C ATOM 0 H VAL B 616 7.135 -10.591 6.669 1.00 0.00 H new ATOM 0 HA VAL B 616 6.506 -8.322 4.917 1.00 0.00 H new ATOM 0 HB VAL B 616 9.193 -9.582 5.599 1.00 0.00 H new ATOM 0 HG11 VAL B 616 10.010 -7.282 5.183 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.181 -7.935 3.750 1.00 0.00 H new ATOM 0 HG13 VAL B 616 8.352 -6.761 4.799 1.00 0.00 H new ATOM 0 HG21 VAL B 616 9.264 -7.951 7.470 1.00 0.00 H new ATOM 0 HG22 VAL B 616 7.606 -7.435 7.083 1.00 0.00 H new ATOM 0 HG23 VAL B 616 7.910 -9.088 7.667 1.00 0.00 H new ATOM 1314 N ASP B 617 7.286 -11.194 3.702 1.00 0.00 N ATOM 1315 CA ASP B 617 7.508 -11.942 2.430 1.00 0.00 C ATOM 1316 C ASP B 617 6.314 -11.771 1.487 1.00 0.00 C ATOM 1317 O ASP B 617 6.476 -11.505 0.312 1.00 0.00 O ATOM 1318 CB ASP B 617 7.695 -13.428 2.743 1.00 0.00 C ATOM 1319 CG ASP B 617 8.088 -14.176 1.468 1.00 0.00 C ATOM 1320 OD1 ASP B 617 7.289 -14.195 0.546 1.00 0.00 O ATOM 1321 OD2 ASP B 617 9.182 -14.715 1.435 1.00 0.00 O ATOM 0 H ASP B 617 7.085 -11.774 4.516 1.00 0.00 H new ATOM 0 HA ASP B 617 8.399 -11.546 1.943 1.00 0.00 H new ATOM 0 HB2 ASP B 617 8.465 -13.556 3.503 1.00 0.00 H new ATOM 0 HB3 ASP B 617 6.773 -13.843 3.150 1.00 0.00 H new ATOM 1326 N GLY B 618 5.118 -11.923 1.983 1.00 0.00 N ATOM 1327 CA GLY B 618 3.927 -11.770 1.098 1.00 0.00 C ATOM 1328 C GLY B 618 3.777 -10.306 0.691 1.00 0.00 C ATOM 1329 O GLY B 618 3.486 -9.993 -0.446 1.00 0.00 O ATOM 0 H GLY B 618 4.913 -12.145 2.957 1.00 0.00 H new ATOM 0 HA2 GLY B 618 4.037 -12.395 0.212 1.00 0.00 H new ATOM 0 HA3 GLY B 618 3.030 -12.108 1.617 1.00 0.00 H new ATOM 1333 N LEU B 619 3.972 -9.405 1.612 1.00 0.00 N ATOM 1334 CA LEU B 619 3.840 -7.960 1.280 1.00 0.00 C ATOM 1335 C LEU B 619 4.890 -7.603 0.217 1.00 0.00 C ATOM 1336 O LEU B 619 4.759 -6.640 -0.507 1.00 0.00 O ATOM 1337 CB LEU B 619 4.067 -7.145 2.564 1.00 0.00 C ATOM 1338 CG LEU B 619 3.848 -5.642 2.321 1.00 0.00 C ATOM 1339 CD1 LEU B 619 2.339 -5.327 2.223 1.00 0.00 C ATOM 1340 CD2 LEU B 619 4.481 -4.845 3.482 1.00 0.00 C ATOM 0 H LEU B 619 4.217 -9.607 2.581 1.00 0.00 H new ATOM 0 HA LEU B 619 2.849 -7.736 0.886 1.00 0.00 H new ATOM 0 HB2 LEU B 619 3.387 -7.492 3.342 1.00 0.00 H new ATOM 0 HB3 LEU B 619 5.081 -7.312 2.929 1.00 0.00 H new ATOM 0 HG LEU B 619 4.320 -5.357 1.381 1.00 0.00 H new ATOM 0 HD11 LEU B 619 2.201 -4.260 2.051 1.00 0.00 H new ATOM 0 HD12 LEU B 619 1.903 -5.887 1.396 1.00 0.00 H new ATOM 0 HD13 LEU B 619 1.847 -5.611 3.153 1.00 0.00 H new ATOM 0 HD21 LEU B 619 4.330 -3.778 3.316 1.00 0.00 H new ATOM 0 HD22 LEU B 619 4.012 -5.136 4.422 1.00 0.00 H new ATOM 0 HD23 LEU B 619 5.549 -5.057 3.529 1.00 0.00 H new ATOM 1352 N CYS B 620 5.938 -8.378 0.127 1.00 0.00 N ATOM 1353 CA CYS B 620 7.008 -8.088 -0.875 1.00 0.00 C ATOM 1354 C CYS B 620 6.536 -8.431 -2.295 1.00 0.00 C ATOM 1355 O CYS B 620 6.676 -7.641 -3.206 1.00 0.00 O ATOM 1356 CB CYS B 620 8.250 -8.914 -0.540 1.00 0.00 C ATOM 1357 SG CYS B 620 9.652 -8.321 -1.519 1.00 0.00 S ATOM 0 H CYS B 620 6.101 -9.202 0.706 1.00 0.00 H new ATOM 0 HA CYS B 620 7.242 -7.024 -0.836 1.00 0.00 H new ATOM 0 HB2 CYS B 620 8.476 -8.835 0.523 1.00 0.00 H new ATOM 0 HB3 CYS B 620 8.066 -9.968 -0.750 1.00 0.00 H new ATOM 0 HG CYS B 620 10.709 -9.022 -1.233 1.00 0.00 H new ATOM 1363 N SER B 621 5.980 -9.599 -2.499 1.00 0.00 N ATOM 1364 CA SER B 621 5.510 -9.970 -3.873 1.00 0.00 C ATOM 1365 C SER B 621 4.144 -9.332 -4.131 1.00 0.00 C ATOM 1366 O SER B 621 3.567 -9.475 -5.190 1.00 0.00 O ATOM 1367 CB SER B 621 5.426 -11.490 -4.012 1.00 0.00 C ATOM 1368 OG SER B 621 6.686 -12.062 -3.686 1.00 0.00 O ATOM 0 H SER B 621 5.831 -10.308 -1.781 1.00 0.00 H new ATOM 0 HA SER B 621 6.222 -9.600 -4.611 1.00 0.00 H new ATOM 0 HB2 SER B 621 4.653 -11.885 -3.353 1.00 0.00 H new ATOM 0 HB3 SER B 621 5.144 -11.759 -5.030 1.00 0.00 H new ATOM 0 HG SER B 621 6.635 -13.037 -3.772 1.00 0.00 H new ATOM 1374 N GLU B 622 3.641 -8.611 -3.175 1.00 0.00 N ATOM 1375 CA GLU B 622 2.326 -7.927 -3.339 1.00 0.00 C ATOM 1376 C GLU B 622 2.542 -6.457 -3.725 1.00 0.00 C ATOM 1377 O GLU B 622 1.935 -5.970 -4.657 1.00 0.00 O ATOM 1378 CB GLU B 622 1.550 -8.005 -2.018 1.00 0.00 C ATOM 1379 CG GLU B 622 0.057 -7.772 -2.280 1.00 0.00 C ATOM 1380 CD GLU B 622 -0.533 -8.979 -3.012 1.00 0.00 C ATOM 1381 OE1 GLU B 622 -0.950 -9.908 -2.340 1.00 0.00 O ATOM 1382 OE2 GLU B 622 -0.556 -8.955 -4.231 1.00 0.00 O ATOM 0 H GLU B 622 4.089 -8.462 -2.271 1.00 0.00 H new ATOM 0 HA GLU B 622 1.759 -8.419 -4.129 1.00 0.00 H new ATOM 0 HB2 GLU B 622 1.700 -8.980 -1.554 1.00 0.00 H new ATOM 0 HB3 GLU B 622 1.927 -7.258 -1.319 1.00 0.00 H new ATOM 0 HG2 GLU B 622 -0.467 -7.614 -1.337 1.00 0.00 H new ATOM 0 HG3 GLU B 622 -0.081 -6.870 -2.876 1.00 0.00 H new ATOM 1389 N LEU B 623 3.386 -5.732 -3.035 1.00 0.00 N ATOM 1390 CA LEU B 623 3.589 -4.296 -3.412 1.00 0.00 C ATOM 1391 C LEU B 623 4.648 -4.185 -4.516 1.00 0.00 C ATOM 1392 O LEU B 623 4.749 -3.180 -5.190 1.00 0.00 O ATOM 1393 CB LEU B 623 4.051 -3.484 -2.193 1.00 0.00 C ATOM 1394 CG LEU B 623 3.165 -3.786 -0.973 1.00 0.00 C ATOM 1395 CD1 LEU B 623 3.458 -2.770 0.146 1.00 0.00 C ATOM 1396 CD2 LEU B 623 1.684 -3.709 -1.355 1.00 0.00 C ATOM 0 H LEU B 623 3.935 -6.062 -2.241 1.00 0.00 H new ATOM 0 HA LEU B 623 2.640 -3.900 -3.773 1.00 0.00 H new ATOM 0 HB2 LEU B 623 5.089 -3.723 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU B 623 4.012 -2.419 -2.423 1.00 0.00 H new ATOM 0 HG LEU B 623 3.388 -4.794 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU B 623 2.828 -2.987 1.009 1.00 0.00 H new ATOM 0 HD12 LEU B 623 4.507 -2.840 0.435 1.00 0.00 H new ATOM 0 HD13 LEU B 623 3.247 -1.763 -0.213 1.00 0.00 H new ATOM 0 HD21 LEU B 623 1.071 -3.925 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU B 623 1.454 -2.708 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU B 623 1.471 -4.439 -2.136 1.00 0.00 H new ATOM 1408 N MET B 624 5.459 -5.195 -4.684 1.00 0.00 N ATOM 1409 CA MET B 624 6.535 -5.128 -5.719 1.00 0.00 C ATOM 1410 C MET B 624 5.966 -5.259 -7.137 1.00 0.00 C ATOM 1411 O MET B 624 6.517 -4.711 -8.069 1.00 0.00 O ATOM 1412 CB MET B 624 7.539 -6.254 -5.471 1.00 0.00 C ATOM 1413 CG MET B 624 8.655 -6.185 -6.513 1.00 0.00 C ATOM 1414 SD MET B 624 9.982 -7.328 -6.055 1.00 0.00 S ATOM 1415 CE MET B 624 10.994 -7.108 -7.539 1.00 0.00 C ATOM 0 H MET B 624 5.424 -6.064 -4.150 1.00 0.00 H new ATOM 0 HA MET B 624 7.022 -4.156 -5.641 1.00 0.00 H new ATOM 0 HB2 MET B 624 7.958 -6.167 -4.468 1.00 0.00 H new ATOM 0 HB3 MET B 624 7.037 -7.220 -5.524 1.00 0.00 H new ATOM 0 HG2 MET B 624 8.264 -6.441 -7.498 1.00 0.00 H new ATOM 0 HG3 MET B 624 9.043 -5.169 -6.579 1.00 0.00 H new ATOM 0 HE1 MET B 624 12.042 -7.277 -7.293 1.00 0.00 H new ATOM 0 HE2 MET B 624 10.681 -7.821 -8.302 1.00 0.00 H new ATOM 0 HE3 MET B 624 10.869 -6.094 -7.918 1.00 0.00 H new ATOM 1425 N ALA B 625 4.877 -5.970 -7.323 1.00 0.00 N ATOM 1426 CA ALA B 625 4.297 -6.115 -8.705 1.00 0.00 C ATOM 1427 C ALA B 625 3.063 -5.222 -8.844 1.00 0.00 C ATOM 1428 O ALA B 625 2.539 -5.052 -9.927 1.00 0.00 O ATOM 1429 CB ALA B 625 3.940 -7.574 -8.990 1.00 0.00 C ATOM 0 H ALA B 625 4.366 -6.454 -6.585 1.00 0.00 H new ATOM 0 HA ALA B 625 5.044 -5.802 -9.435 1.00 0.00 H new ATOM 0 HB1 ALA B 625 3.523 -7.657 -9.993 1.00 0.00 H new ATOM 0 HB2 ALA B 625 4.837 -8.189 -8.918 1.00 0.00 H new ATOM 0 HB3 ALA B 625 3.205 -7.918 -8.262 1.00 0.00 H new ATOM 1435 N LYS B 626 2.634 -4.594 -7.788 1.00 0.00 N ATOM 1436 CA LYS B 626 1.484 -3.652 -7.914 1.00 0.00 C ATOM 1437 C LYS B 626 2.089 -2.288 -8.251 1.00 0.00 C ATOM 1438 O LYS B 626 1.406 -1.337 -8.578 1.00 0.00 O ATOM 1439 CB LYS B 626 0.719 -3.573 -6.591 1.00 0.00 C ATOM 1440 CG LYS B 626 -0.206 -4.785 -6.462 1.00 0.00 C ATOM 1441 CD LYS B 626 -1.046 -4.652 -5.190 1.00 0.00 C ATOM 1442 CE LYS B 626 -2.099 -5.761 -5.156 1.00 0.00 C ATOM 1443 NZ LYS B 626 -1.461 -7.062 -5.507 1.00 0.00 N ATOM 0 H LYS B 626 3.024 -4.689 -6.850 1.00 0.00 H new ATOM 0 HA LYS B 626 0.783 -3.980 -8.681 1.00 0.00 H new ATOM 0 HB2 LYS B 626 1.418 -3.546 -5.755 1.00 0.00 H new ATOM 0 HB3 LYS B 626 0.137 -2.652 -6.550 1.00 0.00 H new ATOM 0 HG2 LYS B 626 -0.856 -4.854 -7.334 1.00 0.00 H new ATOM 0 HG3 LYS B 626 0.382 -5.702 -6.428 1.00 0.00 H new ATOM 0 HD2 LYS B 626 -0.406 -4.717 -4.310 1.00 0.00 H new ATOM 0 HD3 LYS B 626 -1.530 -3.676 -5.161 1.00 0.00 H new ATOM 0 HE2 LYS B 626 -2.549 -5.820 -4.165 1.00 0.00 H new ATOM 0 HE3 LYS B 626 -2.902 -5.536 -5.858 1.00 0.00 H new ATOM 0 HZ1 LYS B 626 -2.176 -7.817 -5.484 1.00 0.00 H new ATOM 0 HZ2 LYS B 626 -1.052 -7.002 -6.461 1.00 0.00 H new ATOM 0 HZ3 LYS B 626 -0.709 -7.276 -4.821 1.00 0.00 H new ATOM 1457 N ALA B 627 3.391 -2.217 -8.159 1.00 0.00 N ATOM 1458 CA ALA B 627 4.141 -0.962 -8.450 1.00 0.00 C ATOM 1459 C ALA B 627 3.595 -0.271 -9.704 1.00 0.00 C ATOM 1460 O ALA B 627 3.272 -0.906 -10.688 1.00 0.00 O ATOM 1461 CB ALA B 627 5.611 -1.325 -8.678 1.00 0.00 C ATOM 0 H ALA B 627 3.982 -3.002 -7.886 1.00 0.00 H new ATOM 0 HA ALA B 627 4.031 -0.278 -7.609 1.00 0.00 H new ATOM 0 HB1 ALA B 627 6.180 -0.421 -8.893 1.00 0.00 H new ATOM 0 HB2 ALA B 627 6.011 -1.801 -7.783 1.00 0.00 H new ATOM 0 HB3 ALA B 627 5.690 -2.012 -9.521 1.00 0.00 H new ATOM 1467 N LYS B 628 3.519 1.039 -9.672 1.00 0.00 N ATOM 1468 CA LYS B 628 3.030 1.820 -10.853 1.00 0.00 C ATOM 1469 C LYS B 628 4.141 2.782 -11.285 1.00 0.00 C ATOM 1470 O LYS B 628 4.277 3.875 -10.765 1.00 0.00 O ATOM 1471 CB LYS B 628 1.778 2.611 -10.464 1.00 0.00 C ATOM 1472 CG LYS B 628 0.718 1.652 -9.913 1.00 0.00 C ATOM 1473 CD LYS B 628 -0.650 2.339 -9.909 1.00 0.00 C ATOM 1474 CE LYS B 628 -0.611 3.558 -8.985 1.00 0.00 C ATOM 1475 NZ LYS B 628 -2.003 4.001 -8.689 1.00 0.00 N ATOM 0 H LYS B 628 3.779 1.607 -8.866 1.00 0.00 H new ATOM 0 HA LYS B 628 2.778 1.148 -11.673 1.00 0.00 H new ATOM 0 HB2 LYS B 628 2.028 3.363 -9.715 1.00 0.00 H new ATOM 0 HB3 LYS B 628 1.387 3.143 -11.331 1.00 0.00 H new ATOM 0 HG2 LYS B 628 0.680 0.749 -10.522 1.00 0.00 H new ATOM 0 HG3 LYS B 628 0.984 1.344 -8.902 1.00 0.00 H new ATOM 0 HD2 LYS B 628 -0.917 2.645 -10.920 1.00 0.00 H new ATOM 0 HD3 LYS B 628 -1.417 1.641 -9.574 1.00 0.00 H new ATOM 0 HE2 LYS B 628 -0.092 3.310 -8.059 1.00 0.00 H new ATOM 0 HE3 LYS B 628 -0.053 4.367 -9.456 1.00 0.00 H new ATOM 0 HZ1 LYS B 628 -2.035 5.040 -8.644 1.00 0.00 H new ATOM 0 HZ2 LYS B 628 -2.641 3.667 -9.440 1.00 0.00 H new ATOM 0 HZ3 LYS B 628 -2.306 3.605 -7.776 1.00 0.00 H new ATOM 1489 N CYS B 629 4.962 2.349 -12.201 1.00 0.00 N ATOM 1490 CA CYS B 629 6.111 3.182 -12.669 1.00 0.00 C ATOM 1491 C CYS B 629 5.662 4.596 -13.074 1.00 0.00 C ATOM 1492 O CYS B 629 4.919 4.796 -14.015 1.00 0.00 O ATOM 1493 CB CYS B 629 6.792 2.482 -13.860 1.00 0.00 C ATOM 1494 SG CYS B 629 8.181 1.481 -13.270 1.00 0.00 S ATOM 0 H CYS B 629 4.886 1.438 -12.654 1.00 0.00 H new ATOM 0 HA CYS B 629 6.816 3.287 -11.845 1.00 0.00 H new ATOM 0 HB2 CYS B 629 6.073 1.851 -14.382 1.00 0.00 H new ATOM 0 HB3 CYS B 629 7.145 3.224 -14.577 1.00 0.00 H new ATOM 1499 N SER B 630 6.171 5.571 -12.365 1.00 0.00 N ATOM 1500 CA SER B 630 5.872 7.005 -12.667 1.00 0.00 C ATOM 1501 C SER B 630 7.156 7.804 -12.414 1.00 0.00 C ATOM 1502 O SER B 630 8.027 7.354 -11.695 1.00 0.00 O ATOM 1503 CB SER B 630 4.751 7.510 -11.759 1.00 0.00 C ATOM 1504 OG SER B 630 4.581 8.909 -11.956 1.00 0.00 O ATOM 0 H SER B 630 6.796 5.430 -11.571 1.00 0.00 H new ATOM 0 HA SER B 630 5.545 7.120 -13.700 1.00 0.00 H new ATOM 0 HB2 SER B 630 3.822 6.984 -11.981 1.00 0.00 H new ATOM 0 HB3 SER B 630 4.992 7.304 -10.716 1.00 0.00 H new ATOM 0 HG SER B 630 3.862 9.236 -11.376 1.00 0.00 H new ATOM 1510 N GLU B 631 7.312 8.969 -12.988 1.00 0.00 N ATOM 1511 CA GLU B 631 8.574 9.731 -12.743 1.00 0.00 C ATOM 1512 C GLU B 631 8.687 10.083 -11.259 1.00 0.00 C ATOM 1513 O GLU B 631 9.771 10.274 -10.744 1.00 0.00 O ATOM 1514 CB GLU B 631 8.607 11.004 -13.600 1.00 0.00 C ATOM 1515 CG GLU B 631 7.337 11.837 -13.366 1.00 0.00 C ATOM 1516 CD GLU B 631 6.173 11.259 -14.177 1.00 0.00 C ATOM 1517 OE1 GLU B 631 6.375 10.246 -14.826 1.00 0.00 O ATOM 1518 OE2 GLU B 631 5.102 11.841 -14.133 1.00 0.00 O ATOM 0 H GLU B 631 6.635 9.419 -13.604 1.00 0.00 H new ATOM 0 HA GLU B 631 9.423 9.108 -13.024 1.00 0.00 H new ATOM 0 HB2 GLU B 631 9.489 11.595 -13.352 1.00 0.00 H new ATOM 0 HB3 GLU B 631 8.687 10.739 -14.654 1.00 0.00 H new ATOM 0 HG2 GLU B 631 7.085 11.841 -12.305 1.00 0.00 H new ATOM 0 HG3 GLU B 631 7.513 12.873 -13.656 1.00 0.00 H new ATOM 1525 N ARG B 632 7.594 10.136 -10.551 1.00 0.00 N ATOM 1526 CA ARG B 632 7.679 10.436 -9.093 1.00 0.00 C ATOM 1527 C ARG B 632 8.109 9.151 -8.378 1.00 0.00 C ATOM 1528 O ARG B 632 7.681 8.857 -7.278 1.00 0.00 O ATOM 1529 CB ARG B 632 6.310 10.896 -8.573 1.00 0.00 C ATOM 1530 CG ARG B 632 6.484 11.627 -7.237 1.00 0.00 C ATOM 1531 CD ARG B 632 5.112 11.933 -6.635 1.00 0.00 C ATOM 1532 NE ARG B 632 5.290 12.598 -5.314 1.00 0.00 N ATOM 1533 CZ ARG B 632 4.287 13.214 -4.749 1.00 0.00 C ATOM 1534 NH1 ARG B 632 3.124 13.245 -5.340 1.00 0.00 N ATOM 1535 NH2 ARG B 632 4.446 13.797 -3.593 1.00 0.00 N ATOM 0 H ARG B 632 6.653 9.986 -10.914 1.00 0.00 H new ATOM 0 HA ARG B 632 8.399 11.233 -8.907 1.00 0.00 H new ATOM 0 HB2 ARG B 632 5.837 11.555 -9.300 1.00 0.00 H new ATOM 0 HB3 ARG B 632 5.651 10.037 -8.446 1.00 0.00 H new ATOM 0 HG2 ARG B 632 7.065 11.013 -6.549 1.00 0.00 H new ATOM 0 HG3 ARG B 632 7.041 12.552 -7.387 1.00 0.00 H new ATOM 0 HD2 ARG B 632 4.544 12.578 -7.306 1.00 0.00 H new ATOM 0 HD3 ARG B 632 4.540 11.012 -6.517 1.00 0.00 H new ATOM 0 HE ARG B 632 6.198 12.572 -4.850 1.00 0.00 H new ATOM 0 HH11 ARG B 632 2.999 12.788 -6.243 1.00 0.00 H new ATOM 0 HH12 ARG B 632 2.340 13.726 -4.899 1.00 0.00 H new ATOM 0 HH21 ARG B 632 5.354 13.772 -3.130 1.00 0.00 H new ATOM 0 HH22 ARG B 632 3.662 14.278 -3.152 1.00 0.00 H new ATOM 1549 N GLY B 633 8.933 8.370 -9.025 1.00 0.00 N ATOM 1550 CA GLY B 633 9.379 7.081 -8.424 1.00 0.00 C ATOM 1551 C GLY B 633 8.204 6.110 -8.498 1.00 0.00 C ATOM 1552 O GLY B 633 7.194 6.410 -9.103 1.00 0.00 O ATOM 0 H GLY B 633 9.317 8.571 -9.948 1.00 0.00 H new ATOM 0 HA2 GLY B 633 10.239 6.684 -8.963 1.00 0.00 H new ATOM 0 HA3 GLY B 633 9.691 7.228 -7.390 1.00 0.00 H new ATOM 1556 N VAL B 634 8.291 4.959 -7.891 1.00 0.00 N ATOM 1557 CA VAL B 634 7.149 4.010 -7.940 1.00 0.00 C ATOM 1558 C VAL B 634 6.065 4.479 -6.976 1.00 0.00 C ATOM 1559 O VAL B 634 6.363 4.926 -5.886 1.00 0.00 O ATOM 1560 CB VAL B 634 7.642 2.637 -7.479 1.00 0.00 C ATOM 1561 CG1 VAL B 634 8.215 2.740 -6.062 1.00 0.00 C ATOM 1562 CG2 VAL B 634 6.474 1.651 -7.476 1.00 0.00 C ATOM 0 H VAL B 634 9.103 4.637 -7.364 1.00 0.00 H new ATOM 0 HA VAL B 634 6.751 3.959 -8.953 1.00 0.00 H new ATOM 0 HB VAL B 634 8.418 2.289 -8.161 1.00 0.00 H new ATOM 0 HG11 VAL B 634 8.565 1.759 -5.739 1.00 0.00 H new ATOM 0 HG12 VAL B 634 9.049 3.442 -6.057 1.00 0.00 H new ATOM 0 HG13 VAL B 634 7.440 3.092 -5.381 1.00 0.00 H new ATOM 0 HG21 VAL B 634 6.825 0.673 -7.148 1.00 0.00 H new ATOM 0 HG22 VAL B 634 5.700 2.006 -6.796 1.00 0.00 H new ATOM 0 HG23 VAL B 634 6.063 1.570 -8.482 1.00 0.00 H new ATOM 1572 N VAL B 635 4.812 4.373 -7.345 1.00 0.00 N ATOM 1573 CA VAL B 635 3.717 4.805 -6.413 1.00 0.00 C ATOM 1574 C VAL B 635 2.632 3.728 -6.362 1.00 0.00 C ATOM 1575 O VAL B 635 2.230 3.179 -7.368 1.00 0.00 O ATOM 1576 CB VAL B 635 3.123 6.135 -6.881 1.00 0.00 C ATOM 1577 CG1 VAL B 635 4.145 7.252 -6.666 1.00 0.00 C ATOM 1578 CG2 VAL B 635 2.767 6.049 -8.367 1.00 0.00 C ATOM 0 H VAL B 635 4.499 4.009 -8.245 1.00 0.00 H new ATOM 0 HA VAL B 635 4.129 4.942 -5.413 1.00 0.00 H new ATOM 0 HB VAL B 635 2.221 6.348 -6.307 1.00 0.00 H new ATOM 0 HG11 VAL B 635 3.723 8.200 -6.999 1.00 0.00 H new ATOM 0 HG12 VAL B 635 4.395 7.318 -5.607 1.00 0.00 H new ATOM 0 HG13 VAL B 635 5.047 7.035 -7.238 1.00 0.00 H new ATOM 0 HG21 VAL B 635 2.344 6.999 -8.695 1.00 0.00 H new ATOM 0 HG22 VAL B 635 3.666 5.833 -8.945 1.00 0.00 H new ATOM 0 HG23 VAL B 635 2.037 5.254 -8.521 1.00 0.00 H new ATOM 1588 N ILE B 636 2.166 3.424 -5.177 1.00 0.00 N ATOM 1589 CA ILE B 636 1.110 2.380 -4.998 1.00 0.00 C ATOM 1590 C ILE B 636 0.031 2.927 -4.064 1.00 0.00 C ATOM 1591 O ILE B 636 0.270 3.833 -3.296 1.00 0.00 O ATOM 1592 CB ILE B 636 1.732 1.128 -4.378 1.00 0.00 C ATOM 1593 CG1 ILE B 636 2.764 0.540 -5.342 1.00 0.00 C ATOM 1594 CG2 ILE B 636 0.638 0.091 -4.113 1.00 0.00 C ATOM 1595 CD1 ILE B 636 3.597 -0.517 -4.616 1.00 0.00 C ATOM 0 H ILE B 636 2.478 3.863 -4.311 1.00 0.00 H new ATOM 0 HA ILE B 636 0.672 2.125 -5.963 1.00 0.00 H new ATOM 0 HB ILE B 636 2.218 1.393 -3.439 1.00 0.00 H new ATOM 0 HG12 ILE B 636 2.262 0.095 -6.202 1.00 0.00 H new ATOM 0 HG13 ILE B 636 3.412 1.329 -5.724 1.00 0.00 H new ATOM 0 HG21 ILE B 636 1.082 -0.801 -3.671 1.00 0.00 H new ATOM 0 HG22 ILE B 636 -0.099 0.507 -3.427 1.00 0.00 H new ATOM 0 HG23 ILE B 636 0.152 -0.173 -5.052 1.00 0.00 H new ATOM 0 HD11 ILE B 636 4.332 -0.936 -5.303 1.00 0.00 H new ATOM 0 HD12 ILE B 636 4.110 -0.058 -3.771 1.00 0.00 H new ATOM 0 HD13 ILE B 636 2.943 -1.311 -4.256 1.00 0.00 H new ATOM 1607 N ASN B 637 -1.162 2.403 -4.131 1.00 0.00 N ATOM 1608 CA ASN B 637 -2.251 2.919 -3.250 1.00 0.00 C ATOM 1609 C ASN B 637 -2.243 2.202 -1.893 1.00 0.00 C ATOM 1610 O ASN B 637 -2.311 0.991 -1.809 1.00 0.00 O ATOM 1611 CB ASN B 637 -3.603 2.702 -3.932 1.00 0.00 C ATOM 1612 CG ASN B 637 -3.584 3.343 -5.321 1.00 0.00 C ATOM 1613 OD1 ASN B 637 -2.839 2.925 -6.186 1.00 0.00 O ATOM 1614 ND2 ASN B 637 -4.377 4.348 -5.575 1.00 0.00 N ATOM 0 H ASN B 637 -1.431 1.642 -4.755 1.00 0.00 H new ATOM 0 HA ASN B 637 -2.085 3.983 -3.081 1.00 0.00 H new ATOM 0 HB2 ASN B 637 -3.813 1.636 -4.015 1.00 0.00 H new ATOM 0 HB3 ASN B 637 -4.400 3.138 -3.330 1.00 0.00 H new ATOM 0 HD21 ASN B 637 -4.371 4.782 -6.498 1.00 0.00 H new ATOM 0 HD22 ASN B 637 -5.003 4.700 -4.850 1.00 0.00 H new ATOM 1621 N ALA B 638 -2.191 2.966 -0.833 1.00 0.00 N ATOM 1622 CA ALA B 638 -2.212 2.388 0.546 1.00 0.00 C ATOM 1623 C ALA B 638 -3.345 1.366 0.664 1.00 0.00 C ATOM 1624 O ALA B 638 -3.426 0.626 1.624 1.00 0.00 O ATOM 1625 CB ALA B 638 -2.440 3.512 1.560 1.00 0.00 C ATOM 0 H ALA B 638 -2.134 3.984 -0.865 1.00 0.00 H new ATOM 0 HA ALA B 638 -1.260 1.895 0.745 1.00 0.00 H new ATOM 0 HB1 ALA B 638 -2.456 3.096 2.567 1.00 0.00 H new ATOM 0 HB2 ALA B 638 -1.634 4.242 1.482 1.00 0.00 H new ATOM 0 HB3 ALA B 638 -3.393 4.000 1.354 1.00 0.00 H new ATOM 1631 N GLU B 639 -4.210 1.304 -0.305 1.00 0.00 N ATOM 1632 CA GLU B 639 -5.319 0.313 -0.244 1.00 0.00 C ATOM 1633 C GLU B 639 -4.768 -1.084 -0.547 1.00 0.00 C ATOM 1634 O GLU B 639 -5.382 -2.077 -0.216 1.00 0.00 O ATOM 1635 CB GLU B 639 -6.417 0.687 -1.243 1.00 0.00 C ATOM 1636 CG GLU B 639 -7.623 -0.230 -1.049 1.00 0.00 C ATOM 1637 CD GLU B 639 -8.783 0.260 -1.918 1.00 0.00 C ATOM 1638 OE1 GLU B 639 -8.615 0.306 -3.125 1.00 0.00 O ATOM 1639 OE2 GLU B 639 -9.819 0.583 -1.361 1.00 0.00 O ATOM 0 H GLU B 639 -4.199 1.895 -1.136 1.00 0.00 H new ATOM 0 HA GLU B 639 -5.754 0.315 0.756 1.00 0.00 H new ATOM 0 HB2 GLU B 639 -6.712 1.727 -1.102 1.00 0.00 H new ATOM 0 HB3 GLU B 639 -6.041 0.598 -2.262 1.00 0.00 H new ATOM 0 HG2 GLU B 639 -7.361 -1.254 -1.317 1.00 0.00 H new ATOM 0 HG3 GLU B 639 -7.920 -0.241 -0.000 1.00 0.00 H new ATOM 1646 N ASP B 640 -3.602 -1.186 -1.128 1.00 0.00 N ATOM 1647 CA ASP B 640 -3.022 -2.543 -1.385 1.00 0.00 C ATOM 1648 C ASP B 640 -2.222 -2.980 -0.148 1.00 0.00 C ATOM 1649 O ASP B 640 -2.298 -4.115 0.277 1.00 0.00 O ATOM 1650 CB ASP B 640 -2.115 -2.509 -2.617 1.00 0.00 C ATOM 1651 CG ASP B 640 -2.888 -1.933 -3.806 1.00 0.00 C ATOM 1652 OD1 ASP B 640 -4.047 -2.282 -3.958 1.00 0.00 O ATOM 1653 OD2 ASP B 640 -2.305 -1.158 -4.546 1.00 0.00 O ATOM 0 H ASP B 640 -3.029 -0.400 -1.434 1.00 0.00 H new ATOM 0 HA ASP B 640 -3.825 -3.255 -1.575 1.00 0.00 H new ATOM 0 HB2 ASP B 640 -1.233 -1.902 -2.415 1.00 0.00 H new ATOM 0 HB3 ASP B 640 -1.764 -3.514 -2.851 1.00 0.00 H new ATOM 1658 N VAL B 641 -1.474 -2.090 0.448 1.00 0.00 N ATOM 1659 CA VAL B 641 -0.691 -2.457 1.670 1.00 0.00 C ATOM 1660 C VAL B 641 -1.667 -2.671 2.838 1.00 0.00 C ATOM 1661 O VAL B 641 -1.462 -3.511 3.690 1.00 0.00 O ATOM 1662 CB VAL B 641 0.303 -1.315 1.993 1.00 0.00 C ATOM 1663 CG1 VAL B 641 0.770 -0.661 0.689 1.00 0.00 C ATOM 1664 CG2 VAL B 641 -0.353 -0.238 2.874 1.00 0.00 C ATOM 0 H VAL B 641 -1.370 -1.122 0.143 1.00 0.00 H new ATOM 0 HA VAL B 641 -0.129 -3.376 1.504 1.00 0.00 H new ATOM 0 HB VAL B 641 1.147 -1.745 2.532 1.00 0.00 H new ATOM 0 HG11 VAL B 641 1.470 0.143 0.916 1.00 0.00 H new ATOM 0 HG12 VAL B 641 1.263 -1.406 0.065 1.00 0.00 H new ATOM 0 HG13 VAL B 641 -0.090 -0.254 0.158 1.00 0.00 H new ATOM 0 HG21 VAL B 641 0.370 0.550 3.084 1.00 0.00 H new ATOM 0 HG22 VAL B 641 -1.211 0.186 2.352 1.00 0.00 H new ATOM 0 HG23 VAL B 641 -0.683 -0.686 3.811 1.00 0.00 H new ATOM 1674 N GLN B 642 -2.725 -1.909 2.877 1.00 0.00 N ATOM 1675 CA GLN B 642 -3.716 -2.053 3.986 1.00 0.00 C ATOM 1676 C GLN B 642 -4.477 -3.374 3.831 1.00 0.00 C ATOM 1677 O GLN B 642 -4.747 -4.054 4.799 1.00 0.00 O ATOM 1678 CB GLN B 642 -4.699 -0.879 3.963 1.00 0.00 C ATOM 1679 CG GLN B 642 -4.020 0.367 4.537 1.00 0.00 C ATOM 1680 CD GLN B 642 -4.987 1.549 4.473 1.00 0.00 C ATOM 1681 OE1 GLN B 642 -5.730 1.793 5.404 1.00 0.00 O ATOM 1682 NE2 GLN B 642 -5.012 2.301 3.406 1.00 0.00 N ATOM 0 H GLN B 642 -2.948 -1.191 2.188 1.00 0.00 H new ATOM 0 HA GLN B 642 -3.188 -2.054 4.940 1.00 0.00 H new ATOM 0 HB2 GLN B 642 -5.030 -0.688 2.942 1.00 0.00 H new ATOM 0 HB3 GLN B 642 -5.587 -1.123 4.546 1.00 0.00 H new ATOM 0 HG2 GLN B 642 -3.717 0.187 5.568 1.00 0.00 H new ATOM 0 HG3 GLN B 642 -3.115 0.593 3.974 1.00 0.00 H new ATOM 0 HE21 GLN B 642 -4.389 2.098 2.624 1.00 0.00 H new ATOM 0 HE22 GLN B 642 -5.654 3.092 3.354 1.00 0.00 H new ATOM 1691 N LEU B 643 -4.803 -3.758 2.628 1.00 0.00 N ATOM 1692 CA LEU B 643 -5.520 -5.052 2.427 1.00 0.00 C ATOM 1693 C LEU B 643 -4.494 -6.186 2.394 1.00 0.00 C ATOM 1694 O LEU B 643 -4.826 -7.328 2.620 1.00 0.00 O ATOM 1695 CB LEU B 643 -6.313 -5.031 1.116 1.00 0.00 C ATOM 1696 CG LEU B 643 -7.402 -3.951 1.164 1.00 0.00 C ATOM 1697 CD1 LEU B 643 -8.177 -3.965 -0.158 1.00 0.00 C ATOM 1698 CD2 LEU B 643 -8.371 -4.217 2.332 1.00 0.00 C ATOM 0 H LEU B 643 -4.605 -3.234 1.776 1.00 0.00 H new ATOM 0 HA LEU B 643 -6.220 -5.206 3.248 1.00 0.00 H new ATOM 0 HB2 LEU B 643 -5.640 -4.840 0.280 1.00 0.00 H new ATOM 0 HB3 LEU B 643 -6.767 -6.007 0.943 1.00 0.00 H new ATOM 0 HG LEU B 643 -6.935 -2.978 1.313 1.00 0.00 H new ATOM 0 HD11 LEU B 643 -8.953 -3.200 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU B 643 -7.494 -3.761 -0.982 1.00 0.00 H new ATOM 0 HD13 LEU B 643 -8.636 -4.943 -0.300 1.00 0.00 H new ATOM 0 HD21 LEU B 643 -9.137 -3.442 2.352 1.00 0.00 H new ATOM 0 HD22 LEU B 643 -8.843 -5.191 2.199 1.00 0.00 H new ATOM 0 HD23 LEU B 643 -7.819 -4.206 3.272 1.00 0.00 H new ATOM 1710 N ALA B 644 -3.249 -5.886 2.154 1.00 0.00 N ATOM 1711 CA ALA B 644 -2.215 -6.964 2.159 1.00 0.00 C ATOM 1712 C ALA B 644 -1.723 -7.143 3.597 1.00 0.00 C ATOM 1713 O ALA B 644 -1.750 -8.227 4.144 1.00 0.00 O ATOM 1714 CB ALA B 644 -1.052 -6.571 1.256 1.00 0.00 C ATOM 0 H ALA B 644 -2.901 -4.948 1.955 1.00 0.00 H new ATOM 0 HA ALA B 644 -2.639 -7.897 1.787 1.00 0.00 H new ATOM 0 HB1 ALA B 644 -0.302 -7.362 1.264 1.00 0.00 H new ATOM 0 HB2 ALA B 644 -1.415 -6.425 0.238 1.00 0.00 H new ATOM 0 HB3 ALA B 644 -0.607 -5.644 1.619 1.00 0.00 H new ATOM 1720 N LEU B 645 -1.304 -6.081 4.221 1.00 0.00 N ATOM 1721 CA LEU B 645 -0.843 -6.171 5.635 1.00 0.00 C ATOM 1722 C LEU B 645 -1.964 -6.773 6.494 1.00 0.00 C ATOM 1723 O LEU B 645 -1.847 -7.882 6.978 1.00 0.00 O ATOM 1724 CB LEU B 645 -0.517 -4.764 6.146 1.00 0.00 C ATOM 1725 CG LEU B 645 0.732 -4.209 5.434 1.00 0.00 C ATOM 1726 CD1 LEU B 645 0.866 -2.718 5.759 1.00 0.00 C ATOM 1727 CD2 LEU B 645 1.992 -4.955 5.915 1.00 0.00 C ATOM 0 H LEU B 645 -1.260 -5.148 3.811 1.00 0.00 H new ATOM 0 HA LEU B 645 0.045 -6.801 5.695 1.00 0.00 H new ATOM 0 HB2 LEU B 645 -1.366 -4.102 5.974 1.00 0.00 H new ATOM 0 HB3 LEU B 645 -0.348 -4.791 7.222 1.00 0.00 H new ATOM 0 HG LEU B 645 0.629 -4.350 4.358 1.00 0.00 H new ATOM 0 HD11 LEU B 645 1.747 -2.315 5.260 1.00 0.00 H new ATOM 0 HD12 LEU B 645 -0.022 -2.189 5.412 1.00 0.00 H new ATOM 0 HD13 LEU B 645 0.968 -2.588 6.836 1.00 0.00 H new ATOM 0 HD21 LEU B 645 2.869 -4.555 5.405 1.00 0.00 H new ATOM 0 HD22 LEU B 645 2.105 -4.822 6.991 1.00 0.00 H new ATOM 0 HD23 LEU B 645 1.894 -6.017 5.689 1.00 0.00 H new ATOM 1739 N ASN B 646 -3.030 -6.055 6.713 1.00 0.00 N ATOM 1740 CA ASN B 646 -4.133 -6.596 7.567 1.00 0.00 C ATOM 1741 C ASN B 646 -4.494 -8.030 7.154 1.00 0.00 C ATOM 1742 O ASN B 646 -5.246 -8.701 7.832 1.00 0.00 O ATOM 1743 CB ASN B 646 -5.372 -5.697 7.427 1.00 0.00 C ATOM 1744 CG ASN B 646 -6.040 -5.925 6.067 1.00 0.00 C ATOM 1745 OD1 ASN B 646 -5.422 -6.428 5.151 1.00 0.00 O ATOM 1746 ND2 ASN B 646 -7.286 -5.575 5.899 1.00 0.00 N ATOM 0 H ASN B 646 -3.188 -5.119 6.340 1.00 0.00 H new ATOM 0 HA ASN B 646 -3.795 -6.610 8.603 1.00 0.00 H new ATOM 0 HB2 ASN B 646 -6.079 -5.912 8.228 1.00 0.00 H new ATOM 0 HB3 ASN B 646 -5.084 -4.651 7.528 1.00 0.00 H new ATOM 0 HD21 ASN B 646 -7.741 -5.724 4.998 1.00 0.00 H new ATOM 0 HD22 ASN B 646 -7.805 -5.152 6.669 1.00 0.00 H new ATOM 1753 N LYS B 647 -3.976 -8.504 6.048 1.00 0.00 N ATOM 1754 CA LYS B 647 -4.303 -9.894 5.591 1.00 0.00 C ATOM 1755 C LYS B 647 -3.151 -10.841 5.945 1.00 0.00 C ATOM 1756 O LYS B 647 -2.114 -10.427 6.427 1.00 0.00 O ATOM 1757 CB LYS B 647 -4.526 -9.881 4.071 1.00 0.00 C ATOM 1758 CG LYS B 647 -4.855 -11.296 3.563 1.00 0.00 C ATOM 1759 CD LYS B 647 -5.584 -11.221 2.206 1.00 0.00 C ATOM 1760 CE LYS B 647 -7.093 -11.039 2.420 1.00 0.00 C ATOM 1761 NZ LYS B 647 -7.788 -11.084 1.103 1.00 0.00 N ATOM 0 H LYS B 647 -3.340 -7.989 5.440 1.00 0.00 H new ATOM 0 HA LYS B 647 -5.208 -10.243 6.089 1.00 0.00 H new ATOM 0 HB2 LYS B 647 -5.340 -9.200 3.823 1.00 0.00 H new ATOM 0 HB3 LYS B 647 -3.634 -9.506 3.570 1.00 0.00 H new ATOM 0 HG2 LYS B 647 -3.937 -11.875 3.459 1.00 0.00 H new ATOM 0 HG3 LYS B 647 -5.479 -11.815 4.291 1.00 0.00 H new ATOM 0 HD2 LYS B 647 -5.190 -10.391 1.620 1.00 0.00 H new ATOM 0 HD3 LYS B 647 -5.398 -12.131 1.635 1.00 0.00 H new ATOM 0 HE2 LYS B 647 -7.476 -11.823 3.073 1.00 0.00 H new ATOM 0 HE3 LYS B 647 -7.289 -10.088 2.915 1.00 0.00 H new ATOM 0 HZ1 LYS B 647 -8.811 -10.961 1.246 1.00 0.00 H new ATOM 0 HZ2 LYS B 647 -7.429 -10.321 0.495 1.00 0.00 H new ATOM 0 HZ3 LYS B 647 -7.610 -12.002 0.648 1.00 0.00 H new ATOM 1775 N HIS B 648 -3.340 -12.109 5.713 1.00 0.00 N ATOM 1776 CA HIS B 648 -2.279 -13.104 6.031 1.00 0.00 C ATOM 1777 C HIS B 648 -1.902 -12.966 7.505 1.00 0.00 C ATOM 1778 O HIS B 648 -0.932 -13.530 7.970 1.00 0.00 O ATOM 1779 CB HIS B 648 -1.047 -12.829 5.164 1.00 0.00 C ATOM 1780 CG HIS B 648 -1.466 -12.693 3.726 1.00 0.00 C ATOM 1781 ND1 HIS B 648 -2.092 -13.720 3.040 1.00 0.00 N ATOM 1782 CD2 HIS B 648 -1.355 -11.657 2.832 1.00 0.00 C ATOM 1783 CE1 HIS B 648 -2.333 -13.285 1.790 1.00 0.00 C ATOM 1784 NE2 HIS B 648 -1.904 -12.033 1.610 1.00 0.00 N ATOM 0 H HIS B 648 -4.192 -12.502 5.313 1.00 0.00 H new ATOM 0 HA HIS B 648 -2.643 -14.112 5.832 1.00 0.00 H new ATOM 0 HB2 HIS B 648 -0.551 -11.917 5.497 1.00 0.00 H new ATOM 0 HB3 HIS B 648 -0.327 -13.640 5.269 1.00 0.00 H new ATOM 0 HD2 HIS B 648 -0.909 -10.696 3.045 1.00 0.00 H new ATOM 0 HE1 HIS B 648 -2.815 -13.876 1.025 1.00 0.00 H new ATOM 0 HE2 HIS B 648 -1.966 -11.473 0.760 1.00 0.00 H new ATOM 1792 N MET B 649 -2.663 -12.195 8.239 1.00 0.00 N ATOM 1793 CA MET B 649 -2.367 -11.979 9.686 1.00 0.00 C ATOM 1794 C MET B 649 -3.172 -12.973 10.528 1.00 0.00 C ATOM 1795 O MET B 649 -4.295 -13.309 10.208 1.00 0.00 O ATOM 1796 CB MET B 649 -2.761 -10.541 10.059 1.00 0.00 C ATOM 1797 CG MET B 649 -2.028 -10.108 11.331 1.00 0.00 C ATOM 1798 SD MET B 649 -2.684 -8.516 11.895 1.00 0.00 S ATOM 1799 CE MET B 649 -1.379 -7.459 11.215 1.00 0.00 C ATOM 0 H MET B 649 -3.486 -11.701 7.893 1.00 0.00 H new ATOM 0 HA MET B 649 -1.305 -12.133 9.878 1.00 0.00 H new ATOM 0 HB2 MET B 649 -2.516 -9.864 9.240 1.00 0.00 H new ATOM 0 HB3 MET B 649 -3.838 -10.479 10.212 1.00 0.00 H new ATOM 0 HG2 MET B 649 -2.153 -10.861 12.109 1.00 0.00 H new ATOM 0 HG3 MET B 649 -0.959 -10.024 11.137 1.00 0.00 H new ATOM 0 HE1 MET B 649 -1.678 -6.414 11.296 1.00 0.00 H new ATOM 0 HE2 MET B 649 -0.456 -7.617 11.773 1.00 0.00 H new ATOM 0 HE3 MET B 649 -1.217 -7.710 10.167 1.00 0.00 H new ATOM 1809 N ASN B 650 -2.601 -13.446 11.605 1.00 0.00 N ATOM 1810 CA ASN B 650 -3.325 -14.419 12.473 1.00 0.00 C ATOM 1811 C ASN B 650 -2.774 -14.336 13.897 1.00 0.00 C ATOM 1812 O ASN B 650 -2.902 -15.313 14.618 1.00 0.00 O ATOM 1813 CB ASN B 650 -3.122 -15.835 11.931 1.00 0.00 C ATOM 1814 CG ASN B 650 -3.457 -15.866 10.438 1.00 0.00 C ATOM 1815 OD1 ASN B 650 -2.575 -15.953 9.607 1.00 0.00 O ATOM 1816 ND2 ASN B 650 -4.705 -15.796 10.061 1.00 0.00 N ATOM 1817 OXT ASN B 650 -2.234 -13.299 14.243 1.00 0.00 O ATOM 0 H ASN B 650 -1.663 -13.199 11.921 1.00 0.00 H new ATOM 0 HA ASN B 650 -4.389 -14.181 12.479 1.00 0.00 H new ATOM 0 HB2 ASN B 650 -2.091 -16.152 12.089 1.00 0.00 H new ATOM 0 HB3 ASN B 650 -3.757 -16.537 12.471 1.00 0.00 H new ATOM 0 HD21 ASN B 650 -4.940 -15.814 9.069 1.00 0.00 H new ATOM 0 HD22 ASN B 650 -5.445 -15.723 10.759 1.00 0.00 H new