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 642 GLN : amide:sc= -0.623 K(o=-1.6,f=-1.1) USER MOD Set 1.2: B 646 ASN : amide:sc= -0.952 K(o=-1.6,f=-7.7!) USER MOD Single : A 304 SER OG : rot -174:sc= -0.829 USER MOD Single : A 305 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 306 MET CE :methyl 175:sc=-0.00193 (180deg=-0.005) USER MOD Single : A 307 ASN : amide:sc= -1.05 K(o=-1,f=-5.2!) USER MOD Single : A 308 GLN : amide:sc= -3.04! C(o=-3!,f=-2.8!) 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 3:sc= 0.143 USER MOD Single : B 620 CYS SG : rot -68:sc= -1.03! USER MOD Single : B 621 SER OG : rot -14:sc= 0.678! USER MOD Single : B 624 MET CE :methyl 175:sc= 0 (180deg=-0.0286) USER MOD Single : B 626 LYS NZ :NH3+ 152:sc= -0.0855 (180deg=-2.03!) USER MOD Single : B 628 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 630 SER OG : rot -13:sc= 1.23 USER MOD Single : B 637 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : B 647 LYS NZ :NH3+ 160:sc= -0.0384 (180deg=-0.484) USER MOD Single : B 648 HIS : no HE2:sc= -1.03 K(o=-1,f=-2.5!) USER MOD Single : B 649 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 650 ASN : amide:sc= -3.7! C(o=-3.7!,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 338 N GLU A 301 17.684 -3.073 -0.384 1.00 0.00 N ATOM 339 CA GLU A 301 17.081 -4.112 -1.264 1.00 0.00 C ATOM 340 C GLU A 301 15.561 -3.953 -1.280 1.00 0.00 C ATOM 341 O GLU A 301 14.885 -4.444 -2.164 1.00 0.00 O ATOM 342 CB GLU A 301 17.446 -5.501 -0.736 1.00 0.00 C ATOM 343 CG GLU A 301 18.966 -5.620 -0.622 1.00 0.00 C ATOM 344 CD GLU A 301 19.331 -6.978 -0.018 1.00 0.00 C ATOM 345 OE1 GLU A 301 18.595 -7.923 -0.248 1.00 0.00 O ATOM 346 OE2 GLU A 301 20.339 -7.047 0.665 1.00 0.00 O ATOM 0 HA GLU A 301 17.465 -3.996 -2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 301 16.984 -5.665 0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 301 17.060 -6.269 -1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 301 19.424 -5.513 -1.605 1.00 0.00 H new ATOM 0 HG3 GLU A 301 19.358 -4.816 0.001 1.00 0.00 H new ATOM 353 N PHE A 302 15.014 -3.253 -0.320 1.00 0.00 N ATOM 354 CA PHE A 302 13.538 -3.059 -0.304 1.00 0.00 C ATOM 355 C PHE A 302 13.194 -1.985 -1.333 1.00 0.00 C ATOM 356 O PHE A 302 12.266 -2.118 -2.101 1.00 0.00 O ATOM 357 CB PHE A 302 13.090 -2.627 1.108 1.00 0.00 C ATOM 358 CG PHE A 302 11.670 -3.087 1.370 1.00 0.00 C ATOM 359 CD1 PHE A 302 11.424 -4.405 1.778 1.00 0.00 C ATOM 360 CD2 PHE A 302 10.602 -2.196 1.209 1.00 0.00 C ATOM 361 CE1 PHE A 302 10.112 -4.829 2.022 1.00 0.00 C ATOM 362 CE2 PHE A 302 9.291 -2.621 1.453 1.00 0.00 C ATOM 363 CZ PHE A 302 9.046 -3.937 1.859 1.00 0.00 C ATOM 0 H PHE A 302 15.522 -2.812 0.446 1.00 0.00 H new ATOM 0 HA PHE A 302 13.021 -3.986 -0.554 1.00 0.00 H new ATOM 0 HB2 PHE A 302 13.761 -3.050 1.856 1.00 0.00 H new ATOM 0 HB3 PHE A 302 13.152 -1.543 1.201 1.00 0.00 H new ATOM 0 HD1 PHE A 302 12.246 -5.094 1.904 1.00 0.00 H new ATOM 0 HD2 PHE A 302 10.790 -1.180 0.896 1.00 0.00 H new ATOM 0 HE1 PHE A 302 9.923 -5.845 2.336 1.00 0.00 H new ATOM 0 HE2 PHE A 302 8.468 -1.933 1.328 1.00 0.00 H new ATOM 0 HZ PHE A 302 8.034 -4.265 2.047 1.00 0.00 H new ATOM 373 N CYS A 303 13.957 -0.929 -1.362 1.00 0.00 N ATOM 374 CA CYS A 303 13.706 0.158 -2.348 1.00 0.00 C ATOM 375 C CYS A 303 14.422 -0.178 -3.659 1.00 0.00 C ATOM 376 O CYS A 303 13.869 -0.057 -4.735 1.00 0.00 O ATOM 377 CB CYS A 303 14.267 1.476 -1.800 1.00 0.00 C ATOM 378 SG CYS A 303 13.479 1.907 -0.220 1.00 0.00 S ATOM 0 H CYS A 303 14.750 -0.771 -0.740 1.00 0.00 H new ATOM 0 HA CYS A 303 12.634 0.254 -2.523 1.00 0.00 H new ATOM 0 HB2 CYS A 303 15.345 1.388 -1.662 1.00 0.00 H new ATOM 0 HB3 CYS A 303 14.103 2.275 -2.523 1.00 0.00 H new ATOM 383 N SER A 304 15.660 -0.569 -3.571 1.00 0.00 N ATOM 384 CA SER A 304 16.448 -0.885 -4.796 1.00 0.00 C ATOM 385 C SER A 304 15.726 -1.907 -5.687 1.00 0.00 C ATOM 386 O SER A 304 15.855 -1.861 -6.898 1.00 0.00 O ATOM 387 CB SER A 304 17.812 -1.451 -4.385 1.00 0.00 C ATOM 388 OG SER A 304 17.731 -2.869 -4.312 1.00 0.00 O ATOM 0 H SER A 304 16.167 -0.685 -2.694 1.00 0.00 H new ATOM 0 HA SER A 304 16.570 0.036 -5.367 1.00 0.00 H new ATOM 0 HB2 SER A 304 18.573 -1.156 -5.107 1.00 0.00 H new ATOM 0 HB3 SER A 304 18.112 -1.042 -3.420 1.00 0.00 H new ATOM 0 HG SER A 304 18.572 -3.227 -3.959 1.00 0.00 H new ATOM 394 N LYS A 305 14.948 -2.815 -5.124 1.00 0.00 N ATOM 395 CA LYS A 305 14.231 -3.817 -5.993 1.00 0.00 C ATOM 396 C LYS A 305 12.751 -3.454 -6.106 1.00 0.00 C ATOM 397 O LYS A 305 12.072 -3.885 -7.026 1.00 0.00 O ATOM 398 CB LYS A 305 14.394 -5.238 -5.448 1.00 0.00 C ATOM 399 CG LYS A 305 15.876 -5.538 -5.219 1.00 0.00 C ATOM 400 CD LYS A 305 16.018 -6.891 -4.517 1.00 0.00 C ATOM 401 CE LYS A 305 17.474 -7.358 -4.585 1.00 0.00 C ATOM 402 NZ LYS A 305 17.578 -8.740 -4.039 1.00 0.00 N ATOM 0 H LYS A 305 14.781 -2.905 -4.122 1.00 0.00 H new ATOM 0 HA LYS A 305 14.678 -3.787 -6.987 1.00 0.00 H new ATOM 0 HB2 LYS A 305 13.843 -5.344 -4.513 1.00 0.00 H new ATOM 0 HB3 LYS A 305 13.972 -5.957 -6.150 1.00 0.00 H new ATOM 0 HG2 LYS A 305 16.407 -5.552 -6.171 1.00 0.00 H new ATOM 0 HG3 LYS A 305 16.328 -4.752 -4.614 1.00 0.00 H new ATOM 0 HD2 LYS A 305 15.701 -6.807 -3.477 1.00 0.00 H new ATOM 0 HD3 LYS A 305 15.368 -7.627 -4.990 1.00 0.00 H new ATOM 0 HE2 LYS A 305 17.827 -7.335 -5.616 1.00 0.00 H new ATOM 0 HE3 LYS A 305 18.111 -6.681 -4.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 305 18.567 -9.058 -4.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 305 17.258 -8.747 -3.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 305 16.982 -9.381 -4.601 1.00 0.00 H new ATOM 416 N MET A 306 12.241 -2.615 -5.255 1.00 0.00 N ATOM 417 CA MET A 306 10.823 -2.220 -5.429 1.00 0.00 C ATOM 418 C MET A 306 10.783 -1.261 -6.609 1.00 0.00 C ATOM 419 O MET A 306 9.784 -1.146 -7.292 1.00 0.00 O ATOM 420 CB MET A 306 10.283 -1.533 -4.167 1.00 0.00 C ATOM 421 CG MET A 306 9.794 -2.590 -3.173 1.00 0.00 C ATOM 422 SD MET A 306 9.479 -1.807 -1.573 1.00 0.00 S ATOM 423 CE MET A 306 7.752 -1.360 -1.882 1.00 0.00 C ATOM 0 H MET A 306 12.731 -2.195 -4.465 1.00 0.00 H new ATOM 0 HA MET A 306 10.199 -3.096 -5.606 1.00 0.00 H new ATOM 0 HB2 MET A 306 11.063 -0.924 -3.711 1.00 0.00 H new ATOM 0 HB3 MET A 306 9.466 -0.860 -4.429 1.00 0.00 H new ATOM 0 HG2 MET A 306 8.885 -3.062 -3.545 1.00 0.00 H new ATOM 0 HG3 MET A 306 10.540 -3.377 -3.065 1.00 0.00 H new ATOM 0 HE1 MET A 306 7.319 -0.934 -0.977 1.00 0.00 H new ATOM 0 HE2 MET A 306 7.704 -0.627 -2.687 1.00 0.00 H new ATOM 0 HE3 MET A 306 7.191 -2.250 -2.168 1.00 0.00 H new ATOM 433 N ASN A 307 11.877 -0.580 -6.885 1.00 0.00 N ATOM 434 CA ASN A 307 11.877 0.342 -8.055 1.00 0.00 C ATOM 435 C ASN A 307 12.160 -0.520 -9.281 1.00 0.00 C ATOM 436 O ASN A 307 11.531 -0.390 -10.307 1.00 0.00 O ATOM 437 CB ASN A 307 12.953 1.419 -7.891 1.00 0.00 C ATOM 438 CG ASN A 307 12.653 2.256 -6.645 1.00 0.00 C ATOM 439 OD1 ASN A 307 12.208 1.737 -5.642 1.00 0.00 O ATOM 440 ND2 ASN A 307 12.880 3.542 -6.669 1.00 0.00 N ATOM 0 H ASN A 307 12.749 -0.626 -6.358 1.00 0.00 H new ATOM 0 HA ASN A 307 10.922 0.859 -8.150 1.00 0.00 H new ATOM 0 HB2 ASN A 307 13.936 0.956 -7.803 1.00 0.00 H new ATOM 0 HB3 ASN A 307 12.980 2.058 -8.773 1.00 0.00 H new ATOM 0 HD21 ASN A 307 12.683 4.110 -5.845 1.00 0.00 H new ATOM 0 HD22 ASN A 307 13.254 3.978 -7.512 1.00 0.00 H new ATOM 447 N GLN A 308 13.114 -1.432 -9.140 1.00 0.00 N ATOM 448 CA GLN A 308 13.473 -2.370 -10.261 1.00 0.00 C ATOM 449 C GLN A 308 12.214 -2.729 -11.045 1.00 0.00 C ATOM 450 O GLN A 308 12.227 -2.819 -12.257 1.00 0.00 O ATOM 451 CB GLN A 308 14.061 -3.658 -9.672 1.00 0.00 C ATOM 452 CG GLN A 308 14.294 -4.695 -10.786 1.00 0.00 C ATOM 453 CD GLN A 308 13.003 -5.471 -11.065 1.00 0.00 C ATOM 454 OE1 GLN A 308 12.415 -6.039 -10.165 1.00 0.00 O ATOM 455 NE2 GLN A 308 12.535 -5.519 -12.282 1.00 0.00 N ATOM 0 H GLN A 308 13.659 -1.562 -8.288 1.00 0.00 H new ATOM 0 HA GLN A 308 14.198 -1.888 -10.917 1.00 0.00 H new ATOM 0 HB2 GLN A 308 15.002 -3.439 -9.167 1.00 0.00 H new ATOM 0 HB3 GLN A 308 13.384 -4.066 -8.922 1.00 0.00 H new ATOM 0 HG2 GLN A 308 14.630 -4.195 -11.694 1.00 0.00 H new ATOM 0 HG3 GLN A 308 15.085 -5.385 -10.491 1.00 0.00 H new ATOM 0 HE21 GLN A 308 13.028 -5.043 -13.037 1.00 0.00 H new ATOM 0 HE22 GLN A 308 11.676 -6.033 -12.478 1.00 0.00 H new ATOM 464 N VAL A 309 11.119 -2.921 -10.351 1.00 0.00 N ATOM 465 CA VAL A 309 9.840 -3.259 -11.050 1.00 0.00 C ATOM 466 C VAL A 309 9.661 -2.317 -12.249 1.00 0.00 C ATOM 467 O VAL A 309 8.892 -2.571 -13.155 1.00 0.00 O ATOM 468 CB VAL A 309 8.656 -3.095 -10.082 1.00 0.00 C ATOM 469 CG1 VAL A 309 7.377 -3.578 -10.777 1.00 0.00 C ATOM 470 CG2 VAL A 309 8.902 -3.928 -8.806 1.00 0.00 C ATOM 0 H VAL A 309 11.055 -2.859 -9.335 1.00 0.00 H new ATOM 0 HA VAL A 309 9.874 -4.292 -11.395 1.00 0.00 H new ATOM 0 HB VAL A 309 8.552 -2.046 -9.803 1.00 0.00 H new ATOM 0 HG11 VAL A 309 6.530 -3.466 -10.100 1.00 0.00 H new ATOM 0 HG12 VAL A 309 7.204 -2.984 -11.675 1.00 0.00 H new ATOM 0 HG13 VAL A 309 7.486 -4.627 -11.051 1.00 0.00 H new ATOM 0 HG21 VAL A 309 8.060 -3.807 -8.125 1.00 0.00 H new ATOM 0 HG22 VAL A 309 9.005 -4.980 -9.072 1.00 0.00 H new ATOM 0 HG23 VAL A 309 9.815 -3.586 -8.318 1.00 0.00 H new ATOM 480 N CYS A 310 10.396 -1.238 -12.259 1.00 0.00 N ATOM 481 CA CYS A 310 10.319 -0.264 -13.385 1.00 0.00 C ATOM 482 C CYS A 310 11.333 -0.662 -14.463 1.00 0.00 C ATOM 483 O CYS A 310 11.710 0.136 -15.298 1.00 0.00 O ATOM 484 CB CYS A 310 10.647 1.141 -12.860 1.00 0.00 C ATOM 485 SG CYS A 310 9.151 1.879 -12.157 1.00 0.00 S ATOM 0 H CYS A 310 11.056 -0.987 -11.523 1.00 0.00 H new ATOM 0 HA CYS A 310 9.316 -0.266 -13.811 1.00 0.00 H new ATOM 0 HB2 CYS A 310 11.430 1.086 -12.103 1.00 0.00 H new ATOM 0 HB3 CYS A 310 11.029 1.764 -13.669 1.00 0.00 H new ATOM 490 N GLY A 311 11.777 -1.889 -14.450 1.00 0.00 N ATOM 491 CA GLY A 311 12.765 -2.333 -15.474 1.00 0.00 C ATOM 492 C GLY A 311 12.040 -2.628 -16.789 1.00 0.00 C ATOM 493 O GLY A 311 11.191 -3.494 -16.860 1.00 0.00 O ATOM 0 H GLY A 311 11.499 -2.602 -13.776 1.00 0.00 H new ATOM 0 HA2 GLY A 311 13.518 -1.560 -15.627 1.00 0.00 H new ATOM 0 HA3 GLY A 311 13.289 -3.224 -15.127 1.00 0.00 H new ATOM 928 N GLY B 593 -6.533 7.321 -1.509 1.00 0.00 N ATOM 929 CA GLY B 593 -5.970 7.830 -0.225 1.00 0.00 C ATOM 930 C GLY B 593 -4.638 8.524 -0.505 1.00 0.00 C ATOM 931 O GLY B 593 -4.470 9.173 -1.519 1.00 0.00 O ATOM 0 HA2 GLY B 593 -6.667 8.527 0.241 1.00 0.00 H new ATOM 0 HA3 GLY B 593 -5.826 7.007 0.475 1.00 0.00 H new ATOM 935 N SER B 594 -3.684 8.397 0.379 1.00 0.00 N ATOM 936 CA SER B 594 -2.368 9.056 0.142 1.00 0.00 C ATOM 937 C SER B 594 -1.505 8.191 -0.766 1.00 0.00 C ATOM 938 O SER B 594 -1.773 7.028 -0.989 1.00 0.00 O ATOM 939 CB SER B 594 -1.619 9.263 1.454 1.00 0.00 C ATOM 940 OG SER B 594 -2.315 10.212 2.253 1.00 0.00 O ATOM 0 H SER B 594 -3.759 7.869 1.249 1.00 0.00 H new ATOM 0 HA SER B 594 -2.562 10.022 -0.325 1.00 0.00 H new ATOM 0 HB2 SER B 594 -1.531 8.317 1.988 1.00 0.00 H new ATOM 0 HB3 SER B 594 -0.606 9.612 1.255 1.00 0.00 H new ATOM 0 HG SER B 594 -1.835 10.344 3.097 1.00 0.00 H new ATOM 946 N LEU B 595 -0.464 8.769 -1.284 1.00 0.00 N ATOM 947 CA LEU B 595 0.460 8.031 -2.183 1.00 0.00 C ATOM 948 C LEU B 595 1.668 7.568 -1.367 1.00 0.00 C ATOM 949 O LEU B 595 2.335 8.372 -0.746 1.00 0.00 O ATOM 950 CB LEU B 595 0.940 8.997 -3.262 1.00 0.00 C ATOM 951 CG LEU B 595 -0.221 9.428 -4.184 1.00 0.00 C ATOM 952 CD1 LEU B 595 -0.872 8.200 -4.845 1.00 0.00 C ATOM 953 CD2 LEU B 595 -1.276 10.216 -3.382 1.00 0.00 C ATOM 0 H LEU B 595 -0.208 9.743 -1.119 1.00 0.00 H new ATOM 0 HA LEU B 595 -0.041 7.173 -2.631 1.00 0.00 H new ATOM 0 HB2 LEU B 595 1.382 9.877 -2.795 1.00 0.00 H new ATOM 0 HB3 LEU B 595 1.722 8.524 -3.855 1.00 0.00 H new ATOM 0 HG LEU B 595 0.183 10.071 -4.966 1.00 0.00 H new ATOM 0 HD11 LEU B 595 -1.688 8.524 -5.491 1.00 0.00 H new ATOM 0 HD12 LEU B 595 -0.128 7.669 -5.439 1.00 0.00 H new ATOM 0 HD13 LEU B 595 -1.262 7.536 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU B 595 -2.089 10.514 -4.044 1.00 0.00 H new ATOM 0 HD22 LEU B 595 -1.670 9.587 -2.584 1.00 0.00 H new ATOM 0 HD23 LEU B 595 -0.816 11.105 -2.950 1.00 0.00 H new ATOM 965 N LEU B 596 1.965 6.284 -1.359 1.00 0.00 N ATOM 966 CA LEU B 596 3.146 5.782 -0.574 1.00 0.00 C ATOM 967 C LEU B 596 4.025 4.909 -1.485 1.00 0.00 C ATOM 968 O LEU B 596 3.538 4.187 -2.333 1.00 0.00 O ATOM 969 CB LEU B 596 2.658 4.985 0.651 1.00 0.00 C ATOM 970 CG LEU B 596 1.386 5.639 1.254 1.00 0.00 C ATOM 971 CD1 LEU B 596 0.124 5.012 0.646 1.00 0.00 C ATOM 972 CD2 LEU B 596 1.357 5.420 2.773 1.00 0.00 C ATOM 0 H LEU B 596 1.443 5.565 -1.860 1.00 0.00 H new ATOM 0 HA LEU B 596 3.740 6.623 -0.217 1.00 0.00 H new ATOM 0 HB2 LEU B 596 2.443 3.957 0.361 1.00 0.00 H new ATOM 0 HB3 LEU B 596 3.445 4.946 1.404 1.00 0.00 H new ATOM 0 HG LEU B 596 1.410 6.705 1.029 1.00 0.00 H new ATOM 0 HD11 LEU B 596 -0.760 5.481 1.079 1.00 0.00 H new ATOM 0 HD12 LEU B 596 0.125 5.166 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU B 596 0.109 3.943 0.860 1.00 0.00 H new ATOM 0 HD21 LEU B 596 0.462 5.881 3.190 1.00 0.00 H new ATOM 0 HD22 LEU B 596 1.347 4.351 2.986 1.00 0.00 H new ATOM 0 HD23 LEU B 596 2.241 5.872 3.223 1.00 0.00 H new ATOM 984 N ARG B 597 5.331 5.013 -1.332 1.00 0.00 N ATOM 985 CA ARG B 597 6.285 4.240 -2.203 1.00 0.00 C ATOM 986 C ARG B 597 7.049 3.177 -1.389 1.00 0.00 C ATOM 987 O ARG B 597 6.461 2.313 -0.767 1.00 0.00 O ATOM 988 CB ARG B 597 7.301 5.211 -2.827 1.00 0.00 C ATOM 989 CG ARG B 597 6.576 6.400 -3.470 1.00 0.00 C ATOM 990 CD ARG B 597 7.592 7.491 -3.818 1.00 0.00 C ATOM 991 NE ARG B 597 8.682 6.914 -4.654 1.00 0.00 N ATOM 992 CZ ARG B 597 9.486 7.703 -5.312 1.00 0.00 C ATOM 993 NH1 ARG B 597 9.335 8.997 -5.238 1.00 0.00 N ATOM 994 NH2 ARG B 597 10.443 7.199 -6.042 1.00 0.00 N ATOM 0 H ARG B 597 5.780 5.606 -0.634 1.00 0.00 H new ATOM 0 HA ARG B 597 5.707 3.736 -2.978 1.00 0.00 H new ATOM 0 HB2 ARG B 597 7.991 5.568 -2.062 1.00 0.00 H new ATOM 0 HB3 ARG B 597 7.898 4.691 -3.577 1.00 0.00 H new ATOM 0 HG2 ARG B 597 6.052 6.077 -4.369 1.00 0.00 H new ATOM 0 HG3 ARG B 597 5.824 6.794 -2.786 1.00 0.00 H new ATOM 0 HD2 ARG B 597 7.100 8.302 -4.355 1.00 0.00 H new ATOM 0 HD3 ARG B 597 8.008 7.919 -2.906 1.00 0.00 H new ATOM 0 HE ARG B 597 8.800 5.902 -4.712 1.00 0.00 H new ATOM 0 HH11 ARG B 597 8.588 9.391 -4.666 1.00 0.00 H new ATOM 0 HH12 ARG B 597 9.964 9.614 -5.752 1.00 0.00 H new ATOM 0 HH21 ARG B 597 10.563 6.188 -6.098 1.00 0.00 H new ATOM 0 HH22 ARG B 597 11.071 7.816 -6.556 1.00 0.00 H new ATOM 1008 N CYS B 598 8.364 3.221 -1.420 1.00 0.00 N ATOM 1009 CA CYS B 598 9.186 2.205 -0.685 1.00 0.00 C ATOM 1010 C CYS B 598 9.197 2.490 0.821 1.00 0.00 C ATOM 1011 O CYS B 598 8.204 2.314 1.498 1.00 0.00 O ATOM 1012 CB CYS B 598 10.624 2.242 -1.211 1.00 0.00 C ATOM 1013 SG CYS B 598 11.636 1.073 -0.266 1.00 0.00 S ATOM 0 H CYS B 598 8.904 3.922 -1.927 1.00 0.00 H new ATOM 0 HA CYS B 598 8.745 1.222 -0.850 1.00 0.00 H new ATOM 0 HB2 CYS B 598 10.643 1.984 -2.270 1.00 0.00 H new ATOM 0 HB3 CYS B 598 11.031 3.249 -1.121 1.00 0.00 H new ATOM 1018 N SER B 599 10.323 2.916 1.353 1.00 0.00 N ATOM 1019 CA SER B 599 10.410 3.199 2.822 1.00 0.00 C ATOM 1020 C SER B 599 9.167 3.975 3.251 1.00 0.00 C ATOM 1021 O SER B 599 8.755 3.966 4.401 1.00 0.00 O ATOM 1022 CB SER B 599 11.656 4.035 3.111 1.00 0.00 C ATOM 1023 OG SER B 599 11.664 4.405 4.485 1.00 0.00 O ATOM 0 H SER B 599 11.184 3.079 0.831 1.00 0.00 H new ATOM 0 HA SER B 599 10.471 2.261 3.374 1.00 0.00 H new ATOM 0 HB2 SER B 599 12.554 3.466 2.870 1.00 0.00 H new ATOM 0 HB3 SER B 599 11.665 4.925 2.482 1.00 0.00 H new ATOM 0 HG SER B 599 12.463 4.940 4.675 1.00 0.00 H new ATOM 1029 N GLU B 600 8.554 4.622 2.309 1.00 0.00 N ATOM 1030 CA GLU B 600 7.319 5.387 2.589 1.00 0.00 C ATOM 1031 C GLU B 600 6.387 4.534 3.451 1.00 0.00 C ATOM 1032 O GLU B 600 5.801 4.975 4.432 1.00 0.00 O ATOM 1033 CB GLU B 600 6.630 5.656 1.250 1.00 0.00 C ATOM 1034 CG GLU B 600 7.387 6.752 0.489 1.00 0.00 C ATOM 1035 CD GLU B 600 8.840 6.325 0.273 1.00 0.00 C ATOM 1036 OE1 GLU B 600 9.056 5.157 -0.009 1.00 0.00 O ATOM 1037 OE2 GLU B 600 9.710 7.171 0.392 1.00 0.00 O ATOM 0 H GLU B 600 8.864 4.653 1.338 1.00 0.00 H new ATOM 0 HA GLU B 600 7.552 6.317 3.107 1.00 0.00 H new ATOM 0 HB2 GLU B 600 6.599 4.743 0.656 1.00 0.00 H new ATOM 0 HB3 GLU B 600 5.597 5.963 1.417 1.00 0.00 H new ATOM 0 HG2 GLU B 600 6.907 6.938 -0.472 1.00 0.00 H new ATOM 0 HG3 GLU B 600 7.353 7.686 1.049 1.00 0.00 H new ATOM 1044 N ILE B 601 6.227 3.298 3.060 1.00 0.00 N ATOM 1045 CA ILE B 601 5.319 2.405 3.804 1.00 0.00 C ATOM 1046 C ILE B 601 5.922 2.126 5.182 1.00 0.00 C ATOM 1047 O ILE B 601 5.217 1.920 6.146 1.00 0.00 O ATOM 1048 CB ILE B 601 5.110 1.110 2.979 1.00 0.00 C ATOM 1049 CG1 ILE B 601 3.860 1.281 2.104 1.00 0.00 C ATOM 1050 CG2 ILE B 601 4.912 -0.114 3.881 1.00 0.00 C ATOM 1051 CD1 ILE B 601 3.799 0.185 1.039 1.00 0.00 C ATOM 0 H ILE B 601 6.690 2.876 2.255 1.00 0.00 H new ATOM 0 HA ILE B 601 4.343 2.865 3.956 1.00 0.00 H new ATOM 0 HB ILE B 601 6.001 0.946 2.372 1.00 0.00 H new ATOM 0 HG12 ILE B 601 2.965 1.243 2.726 1.00 0.00 H new ATOM 0 HG13 ILE B 601 3.874 2.261 1.626 1.00 0.00 H new ATOM 0 HG21 ILE B 601 4.769 -1.001 3.264 1.00 0.00 H new ATOM 0 HG22 ILE B 601 5.792 -0.248 4.511 1.00 0.00 H new ATOM 0 HG23 ILE B 601 4.035 0.036 4.510 1.00 0.00 H new ATOM 0 HD11 ILE B 601 2.907 0.321 0.428 1.00 0.00 H new ATOM 0 HD12 ILE B 601 4.685 0.243 0.406 1.00 0.00 H new ATOM 0 HD13 ILE B 601 3.762 -0.791 1.523 1.00 0.00 H new ATOM 1063 N TRP B 602 7.236 2.128 5.283 1.00 0.00 N ATOM 1064 CA TRP B 602 7.881 1.879 6.607 1.00 0.00 C ATOM 1065 C TRP B 602 7.174 2.751 7.628 1.00 0.00 C ATOM 1066 O TRP B 602 6.883 2.334 8.731 1.00 0.00 O ATOM 1067 CB TRP B 602 9.366 2.245 6.561 1.00 0.00 C ATOM 1068 CG TRP B 602 10.047 1.721 7.783 1.00 0.00 C ATOM 1069 CD1 TRP B 602 10.092 2.353 8.979 1.00 0.00 C ATOM 1070 CD2 TRP B 602 10.779 0.473 7.952 1.00 0.00 C ATOM 1071 NE1 TRP B 602 10.804 1.572 9.870 1.00 0.00 N ATOM 1072 CE2 TRP B 602 11.248 0.402 9.285 1.00 0.00 C ATOM 1073 CE3 TRP B 602 11.078 -0.595 7.087 1.00 0.00 C ATOM 1074 CZ2 TRP B 602 11.989 -0.688 9.743 1.00 0.00 C ATOM 1075 CZ3 TRP B 602 11.823 -1.694 7.545 1.00 0.00 C ATOM 1076 CH2 TRP B 602 12.277 -1.740 8.871 1.00 0.00 C ATOM 0 H TRP B 602 7.880 2.291 4.509 1.00 0.00 H new ATOM 0 HA TRP B 602 7.803 0.824 6.869 1.00 0.00 H new ATOM 0 HB2 TRP B 602 9.827 1.826 5.667 1.00 0.00 H new ATOM 0 HB3 TRP B 602 9.483 3.327 6.502 1.00 0.00 H new ATOM 0 HD1 TRP B 602 9.645 3.311 9.201 1.00 0.00 H new ATOM 0 HE1 TRP B 602 10.980 1.828 10.841 1.00 0.00 H new ATOM 0 HE3 TRP B 602 10.733 -0.570 6.064 1.00 0.00 H new ATOM 0 HZ2 TRP B 602 12.337 -0.718 10.765 1.00 0.00 H new ATOM 0 HZ3 TRP B 602 12.048 -2.508 6.872 1.00 0.00 H new ATOM 0 HH2 TRP B 602 12.849 -2.588 9.217 1.00 0.00 H new ATOM 1087 N ASP B 603 6.847 3.954 7.243 1.00 0.00 N ATOM 1088 CA ASP B 603 6.102 4.836 8.171 1.00 0.00 C ATOM 1089 C ASP B 603 4.744 4.182 8.421 1.00 0.00 C ATOM 1090 O ASP B 603 4.265 4.124 9.536 1.00 0.00 O ATOM 1091 CB ASP B 603 5.911 6.214 7.533 1.00 0.00 C ATOM 1092 CG ASP B 603 7.277 6.865 7.310 1.00 0.00 C ATOM 1093 OD1 ASP B 603 7.863 7.314 8.281 1.00 0.00 O ATOM 1094 OD2 ASP B 603 7.716 6.902 6.172 1.00 0.00 O ATOM 0 H ASP B 603 7.064 4.358 6.332 1.00 0.00 H new ATOM 0 HA ASP B 603 6.645 4.967 9.107 1.00 0.00 H new ATOM 0 HB2 ASP B 603 5.383 6.118 6.584 1.00 0.00 H new ATOM 0 HB3 ASP B 603 5.297 6.843 8.177 1.00 0.00 H new ATOM 1099 N ARG B 604 4.130 3.659 7.388 1.00 0.00 N ATOM 1100 CA ARG B 604 2.813 2.976 7.583 1.00 0.00 C ATOM 1101 C ARG B 604 2.988 1.849 8.614 1.00 0.00 C ATOM 1102 O ARG B 604 2.144 1.624 9.458 1.00 0.00 O ATOM 1103 CB ARG B 604 2.319 2.386 6.260 1.00 0.00 C ATOM 1104 CG ARG B 604 0.853 1.945 6.400 1.00 0.00 C ATOM 1105 CD ARG B 604 -0.071 3.164 6.589 1.00 0.00 C ATOM 1106 NE ARG B 604 -0.283 3.405 8.043 1.00 0.00 N ATOM 1107 CZ ARG B 604 -0.783 4.540 8.452 1.00 0.00 C ATOM 1108 NH1 ARG B 604 -1.097 5.465 7.585 1.00 0.00 N ATOM 1109 NH2 ARG B 604 -0.972 4.748 9.725 1.00 0.00 N ATOM 0 H ARG B 604 4.478 3.674 6.429 1.00 0.00 H new ATOM 0 HA ARG B 604 2.079 3.700 7.937 1.00 0.00 H new ATOM 0 HB2 ARG B 604 2.411 3.126 5.465 1.00 0.00 H new ATOM 0 HB3 ARG B 604 2.939 1.535 5.977 1.00 0.00 H new ATOM 0 HG2 ARG B 604 0.550 1.388 5.513 1.00 0.00 H new ATOM 0 HG3 ARG B 604 0.751 1.271 7.250 1.00 0.00 H new ATOM 0 HD2 ARG B 604 0.372 4.045 6.124 1.00 0.00 H new ATOM 0 HD3 ARG B 604 -1.027 2.989 6.095 1.00 0.00 H new ATOM 0 HE ARG B 604 -0.037 2.683 8.720 1.00 0.00 H new ATOM 0 HH11 ARG B 604 -0.952 5.301 6.589 1.00 0.00 H new ATOM 0 HH12 ARG B 604 -1.488 6.352 7.904 1.00 0.00 H new ATOM 0 HH21 ARG B 604 -0.729 4.024 10.402 1.00 0.00 H new ATOM 0 HH22 ARG B 604 -1.362 5.634 10.044 1.00 0.00 H new ATOM 1123 N ILE B 605 4.090 1.147 8.546 1.00 0.00 N ATOM 1124 CA ILE B 605 4.362 0.031 9.508 1.00 0.00 C ATOM 1125 C ILE B 605 4.660 0.588 10.905 1.00 0.00 C ATOM 1126 O ILE B 605 4.130 0.112 11.889 1.00 0.00 O ATOM 1127 CB ILE B 605 5.581 -0.761 9.024 1.00 0.00 C ATOM 1128 CG1 ILE B 605 5.370 -1.160 7.564 1.00 0.00 C ATOM 1129 CG2 ILE B 605 5.746 -2.026 9.873 1.00 0.00 C ATOM 1130 CD1 ILE B 605 6.592 -1.926 7.051 1.00 0.00 C ATOM 0 H ILE B 605 4.825 1.300 7.855 1.00 0.00 H new ATOM 0 HA ILE B 605 3.483 -0.612 9.559 1.00 0.00 H new ATOM 0 HB ILE B 605 6.475 -0.144 9.116 1.00 0.00 H new ATOM 0 HG12 ILE B 605 4.477 -1.779 7.472 1.00 0.00 H new ATOM 0 HG13 ILE B 605 5.205 -0.271 6.955 1.00 0.00 H new ATOM 0 HG21 ILE B 605 6.614 -2.587 9.526 1.00 0.00 H new ATOM 0 HG22 ILE B 605 5.888 -1.747 10.917 1.00 0.00 H new ATOM 0 HG23 ILE B 605 4.854 -2.645 9.781 1.00 0.00 H new ATOM 0 HD11 ILE B 605 6.434 -2.207 6.010 1.00 0.00 H new ATOM 0 HD12 ILE B 605 7.476 -1.293 7.126 1.00 0.00 H new ATOM 0 HD13 ILE B 605 6.737 -2.824 7.651 1.00 0.00 H new ATOM 1142 N THR B 606 5.510 1.573 11.007 1.00 0.00 N ATOM 1143 CA THR B 606 5.846 2.133 12.352 1.00 0.00 C ATOM 1144 C THR B 606 4.569 2.332 13.179 1.00 0.00 C ATOM 1145 O THR B 606 4.556 2.110 14.374 1.00 0.00 O ATOM 1146 CB THR B 606 6.565 3.474 12.187 1.00 0.00 C ATOM 1147 OG1 THR B 606 5.839 4.294 11.282 1.00 0.00 O ATOM 1148 CG2 THR B 606 7.975 3.236 11.643 1.00 0.00 C ATOM 0 H THR B 606 5.987 2.015 10.221 1.00 0.00 H new ATOM 0 HA THR B 606 6.498 1.432 12.872 1.00 0.00 H new ATOM 0 HB THR B 606 6.630 3.971 13.155 1.00 0.00 H new ATOM 0 HG1 THR B 606 5.022 3.830 11.004 1.00 0.00 H new ATOM 0 HG21 THR B 606 8.486 4.192 11.526 1.00 0.00 H new ATOM 0 HG22 THR B 606 8.533 2.609 12.339 1.00 0.00 H new ATOM 0 HG23 THR B 606 7.912 2.737 10.676 1.00 0.00 H new ATOM 1267 N ILE B 614 3.008 -10.628 11.933 1.00 0.00 N ATOM 1268 CA ILE B 614 2.991 -10.029 10.565 1.00 0.00 C ATOM 1269 C ILE B 614 3.997 -10.744 9.657 1.00 0.00 C ATOM 1270 O ILE B 614 4.863 -11.468 10.108 1.00 0.00 O ATOM 1271 CB ILE B 614 3.354 -8.543 10.657 1.00 0.00 C ATOM 1272 CG1 ILE B 614 2.395 -7.843 11.627 1.00 0.00 C ATOM 1273 CG2 ILE B 614 3.242 -7.896 9.271 1.00 0.00 C ATOM 1274 CD1 ILE B 614 2.916 -6.439 11.937 1.00 0.00 C ATOM 0 HA ILE B 614 1.993 -10.141 10.142 1.00 0.00 H new ATOM 0 HB ILE B 614 4.377 -8.443 11.019 1.00 0.00 H new ATOM 0 HG12 ILE B 614 1.398 -7.784 11.190 1.00 0.00 H new ATOM 0 HG13 ILE B 614 2.306 -8.421 12.547 1.00 0.00 H new ATOM 0 HG21 ILE B 614 3.501 -6.839 9.341 1.00 0.00 H new ATOM 0 HG22 ILE B 614 3.925 -8.392 8.582 1.00 0.00 H new ATOM 0 HG23 ILE B 614 2.220 -7.996 8.904 1.00 0.00 H new ATOM 0 HD11 ILE B 614 2.234 -5.942 12.627 1.00 0.00 H new ATOM 0 HD12 ILE B 614 3.904 -6.510 12.392 1.00 0.00 H new ATOM 0 HD13 ILE B 614 2.982 -5.863 11.014 1.00 0.00 H new ATOM 1286 N ASP B 615 3.884 -10.533 8.370 1.00 0.00 N ATOM 1287 CA ASP B 615 4.816 -11.168 7.393 1.00 0.00 C ATOM 1288 C ASP B 615 5.367 -10.070 6.488 1.00 0.00 C ATOM 1289 O ASP B 615 4.659 -9.510 5.679 1.00 0.00 O ATOM 1290 CB ASP B 615 4.055 -12.193 6.548 1.00 0.00 C ATOM 1291 CG ASP B 615 3.593 -13.348 7.437 1.00 0.00 C ATOM 1292 OD1 ASP B 615 4.304 -13.668 8.375 1.00 0.00 O ATOM 1293 OD2 ASP B 615 2.535 -13.892 7.166 1.00 0.00 O ATOM 0 H ASP B 615 3.172 -9.936 7.949 1.00 0.00 H new ATOM 0 HA ASP B 615 5.627 -11.675 7.916 1.00 0.00 H new ATOM 0 HB2 ASP B 615 3.196 -11.721 6.072 1.00 0.00 H new ATOM 0 HB3 ASP B 615 4.695 -12.569 5.750 1.00 0.00 H new ATOM 1298 N VAL B 616 6.624 -9.752 6.625 1.00 0.00 N ATOM 1299 CA VAL B 616 7.217 -8.681 5.776 1.00 0.00 C ATOM 1300 C VAL B 616 7.514 -9.252 4.381 1.00 0.00 C ATOM 1301 O VAL B 616 7.701 -8.529 3.416 1.00 0.00 O ATOM 1302 CB VAL B 616 8.506 -8.164 6.440 1.00 0.00 C ATOM 1303 CG1 VAL B 616 9.662 -9.143 6.203 1.00 0.00 C ATOM 1304 CG2 VAL B 616 8.867 -6.791 5.863 1.00 0.00 C ATOM 0 H VAL B 616 7.266 -10.187 7.288 1.00 0.00 H new ATOM 0 HA VAL B 616 6.520 -7.849 5.673 1.00 0.00 H new ATOM 0 HB VAL B 616 8.336 -8.077 7.513 1.00 0.00 H new ATOM 0 HG11 VAL B 616 10.565 -8.762 6.679 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.410 -10.114 6.629 1.00 0.00 H new ATOM 0 HG13 VAL B 616 9.834 -9.250 5.132 1.00 0.00 H new ATOM 0 HG21 VAL B 616 9.780 -6.427 6.334 1.00 0.00 H new ATOM 0 HG22 VAL B 616 9.024 -6.878 4.788 1.00 0.00 H new ATOM 0 HG23 VAL B 616 8.055 -6.090 6.056 1.00 0.00 H new ATOM 1314 N ASP B 617 7.556 -10.551 4.275 1.00 0.00 N ATOM 1315 CA ASP B 617 7.848 -11.188 2.959 1.00 0.00 C ATOM 1316 C ASP B 617 6.624 -11.104 2.044 1.00 0.00 C ATOM 1317 O ASP B 617 6.744 -10.891 0.856 1.00 0.00 O ATOM 1318 CB ASP B 617 8.217 -12.657 3.179 1.00 0.00 C ATOM 1319 CG ASP B 617 9.498 -12.742 4.011 1.00 0.00 C ATOM 1320 OD1 ASP B 617 9.420 -12.505 5.206 1.00 0.00 O ATOM 1321 OD2 ASP B 617 10.532 -13.044 3.441 1.00 0.00 O ATOM 0 H ASP B 617 7.400 -11.201 5.045 1.00 0.00 H new ATOM 0 HA ASP B 617 8.678 -10.662 2.487 1.00 0.00 H new ATOM 0 HB2 ASP B 617 7.405 -13.175 3.689 1.00 0.00 H new ATOM 0 HB3 ASP B 617 8.360 -13.155 2.220 1.00 0.00 H new ATOM 1326 N GLY B 618 5.449 -11.276 2.577 1.00 0.00 N ATOM 1327 CA GLY B 618 4.235 -11.209 1.715 1.00 0.00 C ATOM 1328 C GLY B 618 4.057 -9.789 1.181 1.00 0.00 C ATOM 1329 O GLY B 618 3.583 -9.590 0.082 1.00 0.00 O ATOM 0 H GLY B 618 5.275 -11.459 3.565 1.00 0.00 H new ATOM 0 HA2 GLY B 618 4.328 -11.910 0.886 1.00 0.00 H new ATOM 0 HA3 GLY B 618 3.355 -11.505 2.286 1.00 0.00 H new ATOM 1333 N LEU B 619 4.440 -8.798 1.939 1.00 0.00 N ATOM 1334 CA LEU B 619 4.285 -7.402 1.441 1.00 0.00 C ATOM 1335 C LEU B 619 5.287 -7.181 0.305 1.00 0.00 C ATOM 1336 O LEU B 619 5.079 -6.365 -0.569 1.00 0.00 O ATOM 1337 CB LEU B 619 4.526 -6.372 2.569 1.00 0.00 C ATOM 1338 CG LEU B 619 4.215 -6.990 3.932 1.00 0.00 C ATOM 1339 CD1 LEU B 619 4.455 -5.944 5.025 1.00 0.00 C ATOM 1340 CD2 LEU B 619 2.753 -7.456 3.975 1.00 0.00 C ATOM 0 H LEU B 619 4.848 -8.892 2.869 1.00 0.00 H new ATOM 0 HA LEU B 619 3.265 -7.261 1.082 1.00 0.00 H new ATOM 0 HB2 LEU B 619 5.561 -6.032 2.545 1.00 0.00 H new ATOM 0 HB3 LEU B 619 3.899 -5.495 2.409 1.00 0.00 H new ATOM 0 HG LEU B 619 4.865 -7.850 4.097 1.00 0.00 H new ATOM 0 HD11 LEU B 619 4.235 -6.379 6.000 1.00 0.00 H new ATOM 0 HD12 LEU B 619 5.496 -5.622 4.998 1.00 0.00 H new ATOM 0 HD13 LEU B 619 3.805 -5.085 4.856 1.00 0.00 H new ATOM 0 HD21 LEU B 619 2.540 -7.895 4.950 1.00 0.00 H new ATOM 0 HD22 LEU B 619 2.094 -6.603 3.809 1.00 0.00 H new ATOM 0 HD23 LEU B 619 2.585 -8.201 3.197 1.00 0.00 H new ATOM 1352 N CYS B 620 6.379 -7.900 0.318 1.00 0.00 N ATOM 1353 CA CYS B 620 7.394 -7.718 -0.759 1.00 0.00 C ATOM 1354 C CYS B 620 6.843 -8.203 -2.113 1.00 0.00 C ATOM 1355 O CYS B 620 6.947 -7.512 -3.101 1.00 0.00 O ATOM 1356 CB CYS B 620 8.682 -8.483 -0.394 1.00 0.00 C ATOM 1357 SG CYS B 620 8.594 -10.205 -0.958 1.00 0.00 S ATOM 0 H CYS B 620 6.610 -8.600 1.023 1.00 0.00 H new ATOM 0 HA CYS B 620 7.625 -6.657 -0.850 1.00 0.00 H new ATOM 0 HB2 CYS B 620 9.543 -7.991 -0.847 1.00 0.00 H new ATOM 0 HB3 CYS B 620 8.832 -8.457 0.685 1.00 0.00 H new ATOM 0 HG CYS B 620 7.700 -10.844 -0.264 1.00 0.00 H new ATOM 1363 N SER B 621 6.270 -9.383 -2.182 1.00 0.00 N ATOM 1364 CA SER B 621 5.745 -9.871 -3.503 1.00 0.00 C ATOM 1365 C SER B 621 4.349 -9.298 -3.766 1.00 0.00 C ATOM 1366 O SER B 621 3.785 -9.482 -4.827 1.00 0.00 O ATOM 1367 CB SER B 621 5.716 -11.400 -3.540 1.00 0.00 C ATOM 1368 OG SER B 621 5.089 -11.829 -4.743 1.00 0.00 O ATOM 0 H SER B 621 6.144 -10.021 -1.396 1.00 0.00 H new ATOM 0 HA SER B 621 6.415 -9.524 -4.290 1.00 0.00 H new ATOM 0 HB2 SER B 621 6.730 -11.796 -3.484 1.00 0.00 H new ATOM 0 HB3 SER B 621 5.175 -11.786 -2.676 1.00 0.00 H new ATOM 0 HG SER B 621 4.626 -11.072 -5.159 1.00 0.00 H new ATOM 1374 N GLU B 622 3.808 -8.567 -2.838 1.00 0.00 N ATOM 1375 CA GLU B 622 2.473 -7.930 -3.052 1.00 0.00 C ATOM 1376 C GLU B 622 2.694 -6.463 -3.447 1.00 0.00 C ATOM 1377 O GLU B 622 2.016 -5.938 -4.307 1.00 0.00 O ATOM 1378 CB GLU B 622 1.650 -8.000 -1.756 1.00 0.00 C ATOM 1379 CG GLU B 622 0.897 -9.337 -1.677 1.00 0.00 C ATOM 1380 CD GLU B 622 1.862 -10.497 -1.929 1.00 0.00 C ATOM 1381 OE1 GLU B 622 2.245 -10.686 -3.071 1.00 0.00 O ATOM 1382 OE2 GLU B 622 2.196 -11.182 -0.976 1.00 0.00 O ATOM 0 H GLU B 622 4.233 -8.379 -1.930 1.00 0.00 H new ATOM 0 HA GLU B 622 1.931 -8.453 -3.840 1.00 0.00 H new ATOM 0 HB2 GLU B 622 2.307 -7.893 -0.893 1.00 0.00 H new ATOM 0 HB3 GLU B 622 0.941 -7.173 -1.722 1.00 0.00 H new ATOM 0 HG2 GLU B 622 0.433 -9.445 -0.696 1.00 0.00 H new ATOM 0 HG3 GLU B 622 0.093 -9.355 -2.413 1.00 0.00 H new ATOM 1389 N LEU B 623 3.631 -5.796 -2.829 1.00 0.00 N ATOM 1390 CA LEU B 623 3.887 -4.363 -3.173 1.00 0.00 C ATOM 1391 C LEU B 623 4.864 -4.255 -4.357 1.00 0.00 C ATOM 1392 O LEU B 623 4.951 -3.222 -4.992 1.00 0.00 O ATOM 1393 CB LEU B 623 4.500 -3.647 -1.960 1.00 0.00 C ATOM 1394 CG LEU B 623 3.439 -3.436 -0.857 1.00 0.00 C ATOM 1395 CD1 LEU B 623 4.122 -3.328 0.512 1.00 0.00 C ATOM 1396 CD2 LEU B 623 2.660 -2.140 -1.116 1.00 0.00 C ATOM 0 H LEU B 623 4.232 -6.180 -2.100 1.00 0.00 H new ATOM 0 HA LEU B 623 2.939 -3.900 -3.448 1.00 0.00 H new ATOM 0 HB2 LEU B 623 5.330 -4.234 -1.566 1.00 0.00 H new ATOM 0 HB3 LEU B 623 4.908 -2.684 -2.268 1.00 0.00 H new ATOM 0 HG LEU B 623 2.757 -4.286 -0.868 1.00 0.00 H new ATOM 0 HD11 LEU B 623 3.367 -3.179 1.284 1.00 0.00 H new ATOM 0 HD12 LEU B 623 4.675 -4.245 0.716 1.00 0.00 H new ATOM 0 HD13 LEU B 623 4.810 -2.483 0.510 1.00 0.00 H new ATOM 0 HD21 LEU B 623 1.915 -2.001 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU B 623 3.349 -1.295 -1.116 1.00 0.00 H new ATOM 0 HD23 LEU B 623 2.162 -2.202 -2.084 1.00 0.00 H new ATOM 1408 N MET B 624 5.625 -5.280 -4.644 1.00 0.00 N ATOM 1409 CA MET B 624 6.612 -5.171 -5.765 1.00 0.00 C ATOM 1410 C MET B 624 5.931 -5.285 -7.137 1.00 0.00 C ATOM 1411 O MET B 624 6.411 -4.744 -8.105 1.00 0.00 O ATOM 1412 CB MET B 624 7.665 -6.279 -5.639 1.00 0.00 C ATOM 1413 CG MET B 624 8.668 -5.921 -4.536 1.00 0.00 C ATOM 1414 SD MET B 624 9.667 -7.374 -4.134 1.00 0.00 S ATOM 1415 CE MET B 624 10.833 -7.232 -5.512 1.00 0.00 C ATOM 0 H MET B 624 5.609 -6.177 -4.159 1.00 0.00 H new ATOM 0 HA MET B 624 7.081 -4.190 -5.694 1.00 0.00 H new ATOM 0 HB2 MET B 624 7.181 -7.228 -5.409 1.00 0.00 H new ATOM 0 HB3 MET B 624 8.185 -6.408 -6.588 1.00 0.00 H new ATOM 0 HG2 MET B 624 9.311 -5.104 -4.865 1.00 0.00 H new ATOM 0 HG3 MET B 624 8.140 -5.573 -3.648 1.00 0.00 H new ATOM 0 HE1 MET B 624 11.609 -7.991 -5.412 1.00 0.00 H new ATOM 0 HE2 MET B 624 10.303 -7.376 -6.453 1.00 0.00 H new ATOM 0 HE3 MET B 624 11.290 -6.243 -5.501 1.00 0.00 H new ATOM 1425 N ALA B 625 4.821 -5.977 -7.240 1.00 0.00 N ATOM 1426 CA ALA B 625 4.136 -6.104 -8.574 1.00 0.00 C ATOM 1427 C ALA B 625 2.906 -5.203 -8.598 1.00 0.00 C ATOM 1428 O ALA B 625 2.663 -4.525 -9.576 1.00 0.00 O ATOM 1429 CB ALA B 625 3.741 -7.558 -8.840 1.00 0.00 C ATOM 0 H ALA B 625 4.360 -6.457 -6.467 1.00 0.00 H new ATOM 0 HA ALA B 625 4.824 -5.794 -9.360 1.00 0.00 H new ATOM 0 HB1 ALA B 625 3.247 -7.629 -9.809 1.00 0.00 H new ATOM 0 HB2 ALA B 625 4.634 -8.183 -8.841 1.00 0.00 H new ATOM 0 HB3 ALA B 625 3.060 -7.899 -8.060 1.00 0.00 H new ATOM 1435 N LYS B 626 2.147 -5.132 -7.546 1.00 0.00 N ATOM 1436 CA LYS B 626 0.989 -4.203 -7.587 1.00 0.00 C ATOM 1437 C LYS B 626 1.564 -2.800 -7.798 1.00 0.00 C ATOM 1438 O LYS B 626 0.872 -1.861 -8.140 1.00 0.00 O ATOM 1439 CB LYS B 626 0.207 -4.279 -6.272 1.00 0.00 C ATOM 1440 CG LYS B 626 -0.541 -5.618 -6.218 1.00 0.00 C ATOM 1441 CD LYS B 626 -1.487 -5.651 -5.010 1.00 0.00 C ATOM 1442 CE LYS B 626 -0.699 -5.959 -3.732 1.00 0.00 C ATOM 1443 NZ LYS B 626 -1.648 -6.170 -2.603 1.00 0.00 N ATOM 0 H LYS B 626 2.271 -5.660 -6.682 1.00 0.00 H new ATOM 0 HA LYS B 626 0.298 -4.462 -8.389 1.00 0.00 H new ATOM 0 HB2 LYS B 626 0.886 -4.191 -5.424 1.00 0.00 H new ATOM 0 HB3 LYS B 626 -0.498 -3.450 -6.203 1.00 0.00 H new ATOM 0 HG2 LYS B 626 -1.109 -5.763 -7.137 1.00 0.00 H new ATOM 0 HG3 LYS B 626 0.173 -6.439 -6.152 1.00 0.00 H new ATOM 0 HD2 LYS B 626 -1.996 -4.692 -4.911 1.00 0.00 H new ATOM 0 HD3 LYS B 626 -2.258 -6.407 -5.162 1.00 0.00 H new ATOM 0 HE2 LYS B 626 -0.085 -6.848 -3.876 1.00 0.00 H new ATOM 0 HE3 LYS B 626 -0.021 -5.137 -3.503 1.00 0.00 H new ATOM 0 HZ1 LYS B 626 -1.219 -6.810 -1.904 1.00 0.00 H new ATOM 0 HZ2 LYS B 626 -1.860 -5.257 -2.152 1.00 0.00 H new ATOM 0 HZ3 LYS B 626 -2.528 -6.591 -2.963 1.00 0.00 H new ATOM 1457 N ALA B 627 2.852 -2.679 -7.595 1.00 0.00 N ATOM 1458 CA ALA B 627 3.554 -1.375 -7.772 1.00 0.00 C ATOM 1459 C ALA B 627 3.109 -0.687 -9.065 1.00 0.00 C ATOM 1460 O ALA B 627 3.006 -1.301 -10.109 1.00 0.00 O ATOM 1461 CB ALA B 627 5.062 -1.630 -7.833 1.00 0.00 C ATOM 0 H ALA B 627 3.458 -3.448 -7.308 1.00 0.00 H new ATOM 0 HA ALA B 627 3.308 -0.726 -6.931 1.00 0.00 H new ATOM 0 HB1 ALA B 627 5.586 -0.683 -7.962 1.00 0.00 H new ATOM 0 HB2 ALA B 627 5.389 -2.102 -6.907 1.00 0.00 H new ATOM 0 HB3 ALA B 627 5.286 -2.287 -8.674 1.00 0.00 H new ATOM 1467 N LYS B 628 2.875 0.599 -9.003 1.00 0.00 N ATOM 1468 CA LYS B 628 2.472 1.369 -10.217 1.00 0.00 C ATOM 1469 C LYS B 628 3.707 2.117 -10.711 1.00 0.00 C ATOM 1470 O LYS B 628 4.021 3.198 -10.253 1.00 0.00 O ATOM 1471 CB LYS B 628 1.372 2.365 -9.850 1.00 0.00 C ATOM 1472 CG LYS B 628 1.010 3.207 -11.075 1.00 0.00 C ATOM 1473 CD LYS B 628 -0.219 4.062 -10.758 1.00 0.00 C ATOM 1474 CE LYS B 628 -0.726 4.727 -12.039 1.00 0.00 C ATOM 1475 NZ LYS B 628 -1.837 5.663 -11.705 1.00 0.00 N ATOM 0 H LYS B 628 2.947 1.155 -8.151 1.00 0.00 H new ATOM 0 HA LYS B 628 2.090 0.704 -10.992 1.00 0.00 H new ATOM 0 HB2 LYS B 628 0.492 1.833 -9.489 1.00 0.00 H new ATOM 0 HB3 LYS B 628 1.709 3.011 -9.039 1.00 0.00 H new ATOM 0 HG2 LYS B 628 1.849 3.845 -11.352 1.00 0.00 H new ATOM 0 HG3 LYS B 628 0.806 2.560 -11.928 1.00 0.00 H new ATOM 0 HD2 LYS B 628 -1.003 3.442 -10.323 1.00 0.00 H new ATOM 0 HD3 LYS B 628 0.035 4.821 -10.018 1.00 0.00 H new ATOM 0 HE2 LYS B 628 0.085 5.267 -12.527 1.00 0.00 H new ATOM 0 HE3 LYS B 628 -1.073 3.970 -12.742 1.00 0.00 H new ATOM 0 HZ1 LYS B 628 -2.183 6.116 -12.575 1.00 0.00 H new ATOM 0 HZ2 LYS B 628 -2.613 5.135 -11.258 1.00 0.00 H new ATOM 0 HZ3 LYS B 628 -1.491 6.392 -11.049 1.00 0.00 H new ATOM 1489 N CYS B 629 4.436 1.518 -11.606 1.00 0.00 N ATOM 1490 CA CYS B 629 5.691 2.146 -12.108 1.00 0.00 C ATOM 1491 C CYS B 629 5.435 3.505 -12.768 1.00 0.00 C ATOM 1492 O CYS B 629 4.548 3.681 -13.580 1.00 0.00 O ATOM 1493 CB CYS B 629 6.364 1.217 -13.115 1.00 0.00 C ATOM 1494 SG CYS B 629 7.880 1.997 -13.721 1.00 0.00 S ATOM 0 H CYS B 629 4.216 0.611 -12.017 1.00 0.00 H new ATOM 0 HA CYS B 629 6.340 2.309 -11.247 1.00 0.00 H new ATOM 0 HB2 CYS B 629 6.595 0.260 -12.647 1.00 0.00 H new ATOM 0 HB3 CYS B 629 5.689 1.011 -13.946 1.00 0.00 H new ATOM 1499 N SER B 630 6.265 4.452 -12.419 1.00 0.00 N ATOM 1500 CA SER B 630 6.189 5.828 -12.992 1.00 0.00 C ATOM 1501 C SER B 630 7.627 6.314 -13.185 1.00 0.00 C ATOM 1502 O SER B 630 8.543 5.771 -12.598 1.00 0.00 O ATOM 1503 CB SER B 630 5.445 6.754 -12.026 1.00 0.00 C ATOM 1504 OG SER B 630 5.031 7.923 -12.722 1.00 0.00 O ATOM 0 H SER B 630 7.015 4.324 -11.740 1.00 0.00 H new ATOM 0 HA SER B 630 5.651 5.828 -13.940 1.00 0.00 H new ATOM 0 HB2 SER B 630 4.580 6.241 -11.606 1.00 0.00 H new ATOM 0 HB3 SER B 630 6.092 7.024 -11.191 1.00 0.00 H new ATOM 0 HG SER B 630 5.491 7.969 -13.586 1.00 0.00 H new ATOM 1510 N GLU B 631 7.864 7.309 -13.998 1.00 0.00 N ATOM 1511 CA GLU B 631 9.272 7.762 -14.188 1.00 0.00 C ATOM 1512 C GLU B 631 9.800 8.365 -12.884 1.00 0.00 C ATOM 1513 O GLU B 631 10.982 8.315 -12.606 1.00 0.00 O ATOM 1514 CB GLU B 631 9.347 8.797 -15.317 1.00 0.00 C ATOM 1515 CG GLU B 631 8.324 9.919 -15.083 1.00 0.00 C ATOM 1516 CD GLU B 631 6.941 9.479 -15.575 1.00 0.00 C ATOM 1517 OE1 GLU B 631 6.702 9.575 -16.768 1.00 0.00 O ATOM 1518 OE2 GLU B 631 6.148 9.055 -14.752 1.00 0.00 O ATOM 0 H GLU B 631 7.158 7.819 -14.529 1.00 0.00 H new ATOM 0 HA GLU B 631 9.888 6.905 -14.460 1.00 0.00 H new ATOM 0 HB2 GLU B 631 10.352 9.217 -15.368 1.00 0.00 H new ATOM 0 HB3 GLU B 631 9.154 8.314 -16.275 1.00 0.00 H new ATOM 0 HG2 GLU B 631 8.280 10.167 -14.022 1.00 0.00 H new ATOM 0 HG3 GLU B 631 8.636 10.822 -15.608 1.00 0.00 H new ATOM 1525 N ARG B 632 8.944 8.914 -12.070 1.00 0.00 N ATOM 1526 CA ARG B 632 9.421 9.489 -10.780 1.00 0.00 C ATOM 1527 C ARG B 632 9.750 8.332 -9.833 1.00 0.00 C ATOM 1528 O ARG B 632 10.404 8.497 -8.821 1.00 0.00 O ATOM 1529 CB ARG B 632 8.320 10.363 -10.171 1.00 0.00 C ATOM 1530 CG ARG B 632 8.080 11.581 -11.070 1.00 0.00 C ATOM 1531 CD ARG B 632 7.208 12.603 -10.335 1.00 0.00 C ATOM 1532 NE ARG B 632 6.059 11.909 -9.662 1.00 0.00 N ATOM 1533 CZ ARG B 632 5.222 11.162 -10.332 1.00 0.00 C ATOM 1534 NH1 ARG B 632 5.246 11.146 -11.636 1.00 0.00 N ATOM 1535 NH2 ARG B 632 4.320 10.469 -9.693 1.00 0.00 N ATOM 0 H ARG B 632 7.941 8.990 -12.239 1.00 0.00 H new ATOM 0 HA ARG B 632 10.307 10.103 -10.942 1.00 0.00 H new ATOM 0 HB2 ARG B 632 7.400 9.788 -10.066 1.00 0.00 H new ATOM 0 HB3 ARG B 632 8.609 10.687 -9.171 1.00 0.00 H new ATOM 0 HG2 ARG B 632 9.032 12.034 -11.347 1.00 0.00 H new ATOM 0 HG3 ARG B 632 7.593 11.272 -11.995 1.00 0.00 H new ATOM 0 HD2 ARG B 632 7.805 13.137 -9.595 1.00 0.00 H new ATOM 0 HD3 ARG B 632 6.833 13.346 -11.039 1.00 0.00 H new ATOM 0 HE ARG B 632 5.929 12.024 -8.657 1.00 0.00 H new ATOM 0 HH11 ARG B 632 5.922 11.720 -12.141 1.00 0.00 H new ATOM 0 HH12 ARG B 632 4.589 10.560 -12.151 1.00 0.00 H new ATOM 0 HH21 ARG B 632 4.270 10.512 -8.675 1.00 0.00 H new ATOM 0 HH22 ARG B 632 3.664 9.884 -10.211 1.00 0.00 H new ATOM 1549 N GLY B 633 9.281 7.157 -10.167 1.00 0.00 N ATOM 1550 CA GLY B 633 9.527 5.949 -9.318 1.00 0.00 C ATOM 1551 C GLY B 633 8.207 5.198 -9.152 1.00 0.00 C ATOM 1552 O GLY B 633 7.209 5.560 -9.742 1.00 0.00 O ATOM 0 H GLY B 633 8.729 6.980 -11.006 1.00 0.00 H new ATOM 0 HA2 GLY B 633 10.274 5.305 -9.782 1.00 0.00 H new ATOM 0 HA3 GLY B 633 9.921 6.243 -8.345 1.00 0.00 H new ATOM 1556 N VAL B 634 8.171 4.161 -8.359 1.00 0.00 N ATOM 1557 CA VAL B 634 6.904 3.406 -8.166 1.00 0.00 C ATOM 1558 C VAL B 634 6.004 4.149 -7.179 1.00 0.00 C ATOM 1559 O VAL B 634 6.465 4.970 -6.410 1.00 0.00 O ATOM 1560 CB VAL B 634 7.245 2.038 -7.564 1.00 0.00 C ATOM 1561 CG1 VAL B 634 7.882 1.150 -8.635 1.00 0.00 C ATOM 1562 CG2 VAL B 634 8.225 2.216 -6.401 1.00 0.00 C ATOM 0 H VAL B 634 8.970 3.804 -7.835 1.00 0.00 H new ATOM 0 HA VAL B 634 6.393 3.299 -9.123 1.00 0.00 H new ATOM 0 HB VAL B 634 6.331 1.569 -7.199 1.00 0.00 H new ATOM 0 HG11 VAL B 634 8.124 0.178 -8.205 1.00 0.00 H new ATOM 0 HG12 VAL B 634 7.183 1.018 -9.461 1.00 0.00 H new ATOM 0 HG13 VAL B 634 8.794 1.621 -9.003 1.00 0.00 H new ATOM 0 HG21 VAL B 634 8.465 1.242 -5.975 1.00 0.00 H new ATOM 0 HG22 VAL B 634 9.138 2.689 -6.763 1.00 0.00 H new ATOM 0 HG23 VAL B 634 7.770 2.844 -5.635 1.00 0.00 H new ATOM 1572 N VAL B 635 4.737 3.842 -7.153 1.00 0.00 N ATOM 1573 CA VAL B 635 3.830 4.502 -6.166 1.00 0.00 C ATOM 1574 C VAL B 635 2.726 3.526 -5.783 1.00 0.00 C ATOM 1575 O VAL B 635 2.224 2.784 -6.603 1.00 0.00 O ATOM 1576 CB VAL B 635 3.234 5.785 -6.745 1.00 0.00 C ATOM 1577 CG1 VAL B 635 2.546 5.490 -8.081 1.00 0.00 C ATOM 1578 CG2 VAL B 635 2.211 6.358 -5.762 1.00 0.00 C ATOM 0 H VAL B 635 4.289 3.165 -7.770 1.00 0.00 H new ATOM 0 HA VAL B 635 4.402 4.776 -5.279 1.00 0.00 H new ATOM 0 HB VAL B 635 4.034 6.507 -6.909 1.00 0.00 H new ATOM 0 HG11 VAL B 635 2.125 6.411 -8.485 1.00 0.00 H new ATOM 0 HG12 VAL B 635 3.274 5.085 -8.784 1.00 0.00 H new ATOM 0 HG13 VAL B 635 1.748 4.763 -7.927 1.00 0.00 H new ATOM 0 HG21 VAL B 635 1.785 7.273 -6.173 1.00 0.00 H new ATOM 0 HG22 VAL B 635 1.417 5.630 -5.597 1.00 0.00 H new ATOM 0 HG23 VAL B 635 2.702 6.580 -4.814 1.00 0.00 H new ATOM 1588 N ILE B 636 2.364 3.513 -4.527 1.00 0.00 N ATOM 1589 CA ILE B 636 1.309 2.571 -4.033 1.00 0.00 C ATOM 1590 C ILE B 636 0.119 3.357 -3.467 1.00 0.00 C ATOM 1591 O ILE B 636 0.288 4.261 -2.675 1.00 0.00 O ATOM 1592 CB ILE B 636 1.894 1.718 -2.897 1.00 0.00 C ATOM 1593 CG1 ILE B 636 3.299 1.209 -3.270 1.00 0.00 C ATOM 1594 CG2 ILE B 636 0.963 0.539 -2.608 1.00 0.00 C ATOM 1595 CD1 ILE B 636 3.256 0.346 -4.536 1.00 0.00 C ATOM 0 H ILE B 636 2.759 4.123 -3.811 1.00 0.00 H new ATOM 0 HA ILE B 636 0.979 1.946 -4.863 1.00 0.00 H new ATOM 0 HB ILE B 636 1.981 2.334 -2.002 1.00 0.00 H new ATOM 0 HG12 ILE B 636 3.966 2.056 -3.427 1.00 0.00 H new ATOM 0 HG13 ILE B 636 3.710 0.628 -2.444 1.00 0.00 H new ATOM 0 HG21 ILE B 636 1.380 -0.065 -1.802 1.00 0.00 H new ATOM 0 HG22 ILE B 636 -0.017 0.913 -2.312 1.00 0.00 H new ATOM 0 HG23 ILE B 636 0.862 -0.073 -3.504 1.00 0.00 H new ATOM 0 HD11 ILE B 636 4.262 0.001 -4.775 1.00 0.00 H new ATOM 0 HD12 ILE B 636 2.607 -0.514 -4.368 1.00 0.00 H new ATOM 0 HD13 ILE B 636 2.868 0.937 -5.366 1.00 0.00 H new ATOM 1607 N ASN B 637 -1.085 3.001 -3.835 1.00 0.00 N ATOM 1608 CA ASN B 637 -2.269 3.712 -3.275 1.00 0.00 C ATOM 1609 C ASN B 637 -2.603 3.077 -1.923 1.00 0.00 C ATOM 1610 O ASN B 637 -2.607 1.872 -1.773 1.00 0.00 O ATOM 1611 CB ASN B 637 -3.460 3.583 -4.227 1.00 0.00 C ATOM 1612 CG ASN B 637 -3.044 4.029 -5.630 1.00 0.00 C ATOM 1613 OD1 ASN B 637 -2.223 4.912 -5.780 1.00 0.00 O ATOM 1614 ND2 ASN B 637 -3.580 3.451 -6.670 1.00 0.00 N ATOM 0 H ASN B 637 -1.297 2.253 -4.495 1.00 0.00 H new ATOM 0 HA ASN B 637 -2.049 4.772 -3.151 1.00 0.00 H new ATOM 0 HB2 ASN B 637 -3.810 2.551 -4.251 1.00 0.00 H new ATOM 0 HB3 ASN B 637 -4.291 4.193 -3.872 1.00 0.00 H new ATOM 0 HD21 ASN B 637 -3.310 3.740 -7.610 1.00 0.00 H new ATOM 0 HD22 ASN B 637 -4.269 2.710 -6.543 1.00 0.00 H new ATOM 1621 N ALA B 638 -2.849 3.887 -0.930 1.00 0.00 N ATOM 1622 CA ALA B 638 -3.143 3.347 0.428 1.00 0.00 C ATOM 1623 C ALA B 638 -4.163 2.205 0.352 1.00 0.00 C ATOM 1624 O ALA B 638 -4.364 1.484 1.306 1.00 0.00 O ATOM 1625 CB ALA B 638 -3.699 4.466 1.308 1.00 0.00 C ATOM 0 H ALA B 638 -2.859 4.904 -1.001 1.00 0.00 H new ATOM 0 HA ALA B 638 -2.219 2.959 0.856 1.00 0.00 H new ATOM 0 HB1 ALA B 638 -3.915 4.074 2.302 1.00 0.00 H new ATOM 0 HB2 ALA B 638 -2.964 5.267 1.386 1.00 0.00 H new ATOM 0 HB3 ALA B 638 -4.615 4.856 0.865 1.00 0.00 H new ATOM 1631 N GLU B 639 -4.820 2.039 -0.765 1.00 0.00 N ATOM 1632 CA GLU B 639 -5.835 0.947 -0.878 1.00 0.00 C ATOM 1633 C GLU B 639 -5.156 -0.390 -1.197 1.00 0.00 C ATOM 1634 O GLU B 639 -5.706 -1.440 -0.927 1.00 0.00 O ATOM 1635 CB GLU B 639 -6.846 1.289 -1.972 1.00 0.00 C ATOM 1636 CG GLU B 639 -7.538 2.610 -1.631 1.00 0.00 C ATOM 1637 CD GLU B 639 -8.507 2.982 -2.754 1.00 0.00 C ATOM 1638 OE1 GLU B 639 -8.147 2.797 -3.905 1.00 0.00 O ATOM 1639 OE2 GLU B 639 -9.592 3.446 -2.445 1.00 0.00 O ATOM 0 H GLU B 639 -4.700 2.609 -1.602 1.00 0.00 H new ATOM 0 HA GLU B 639 -6.353 0.855 0.077 1.00 0.00 H new ATOM 0 HB2 GLU B 639 -6.343 1.368 -2.936 1.00 0.00 H new ATOM 0 HB3 GLU B 639 -7.584 0.492 -2.062 1.00 0.00 H new ATOM 0 HG2 GLU B 639 -8.076 2.518 -0.687 1.00 0.00 H new ATOM 0 HG3 GLU B 639 -6.797 3.398 -1.500 1.00 0.00 H new ATOM 1646 N ASP B 640 -3.962 -0.385 -1.725 1.00 0.00 N ATOM 1647 CA ASP B 640 -3.280 -1.689 -1.998 1.00 0.00 C ATOM 1648 C ASP B 640 -2.570 -2.126 -0.714 1.00 0.00 C ATOM 1649 O ASP B 640 -2.857 -3.173 -0.168 1.00 0.00 O ATOM 1650 CB ASP B 640 -2.282 -1.539 -3.152 1.00 0.00 C ATOM 1651 CG ASP B 640 -1.399 -2.785 -3.238 1.00 0.00 C ATOM 1652 OD1 ASP B 640 -1.717 -3.757 -2.576 1.00 0.00 O ATOM 1653 OD2 ASP B 640 -0.422 -2.746 -3.968 1.00 0.00 O ATOM 0 H ASP B 640 -3.433 0.450 -1.977 1.00 0.00 H new ATOM 0 HA ASP B 640 -4.008 -2.444 -2.294 1.00 0.00 H new ATOM 0 HB2 ASP B 640 -2.817 -1.395 -4.091 1.00 0.00 H new ATOM 0 HB3 ASP B 640 -1.664 -0.654 -2.998 1.00 0.00 H new ATOM 1658 N VAL B 641 -1.679 -1.328 -0.199 1.00 0.00 N ATOM 1659 CA VAL B 641 -1.003 -1.701 1.077 1.00 0.00 C ATOM 1660 C VAL B 641 -2.078 -2.093 2.104 1.00 0.00 C ATOM 1661 O VAL B 641 -1.972 -3.105 2.768 1.00 0.00 O ATOM 1662 CB VAL B 641 -0.193 -0.506 1.590 1.00 0.00 C ATOM 1663 CG1 VAL B 641 -1.134 0.609 2.050 1.00 0.00 C ATOM 1664 CG2 VAL B 641 0.681 -0.956 2.762 1.00 0.00 C ATOM 0 H VAL B 641 -1.389 -0.437 -0.603 1.00 0.00 H new ATOM 0 HA VAL B 641 -0.327 -2.541 0.917 1.00 0.00 H new ATOM 0 HB VAL B 641 0.436 -0.126 0.785 1.00 0.00 H new ATOM 0 HG11 VAL B 641 -0.548 1.453 2.413 1.00 0.00 H new ATOM 0 HG12 VAL B 641 -1.754 0.930 1.213 1.00 0.00 H new ATOM 0 HG13 VAL B 641 -1.772 0.239 2.853 1.00 0.00 H new ATOM 0 HG21 VAL B 641 1.260 -0.109 3.131 1.00 0.00 H new ATOM 0 HG22 VAL B 641 0.048 -1.339 3.562 1.00 0.00 H new ATOM 0 HG23 VAL B 641 1.360 -1.741 2.429 1.00 0.00 H new ATOM 1674 N GLN B 642 -3.110 -1.304 2.240 1.00 0.00 N ATOM 1675 CA GLN B 642 -4.183 -1.641 3.221 1.00 0.00 C ATOM 1676 C GLN B 642 -4.760 -3.022 2.896 1.00 0.00 C ATOM 1677 O GLN B 642 -5.094 -3.786 3.780 1.00 0.00 O ATOM 1678 CB GLN B 642 -5.297 -0.593 3.148 1.00 0.00 C ATOM 1679 CG GLN B 642 -4.835 0.695 3.836 1.00 0.00 C ATOM 1680 CD GLN B 642 -4.875 0.508 5.354 1.00 0.00 C ATOM 1681 OE1 GLN B 642 -3.923 0.817 6.041 1.00 0.00 O ATOM 1682 NE2 GLN B 642 -5.946 0.009 5.910 1.00 0.00 N ATOM 0 H GLN B 642 -3.257 -0.442 1.715 1.00 0.00 H new ATOM 0 HA GLN B 642 -3.761 -1.650 4.226 1.00 0.00 H new ATOM 0 HB2 GLN B 642 -5.552 -0.390 2.108 1.00 0.00 H new ATOM 0 HB3 GLN B 642 -6.199 -0.971 3.630 1.00 0.00 H new ATOM 0 HG2 GLN B 642 -3.824 0.947 3.517 1.00 0.00 H new ATOM 0 HG3 GLN B 642 -5.478 1.526 3.545 1.00 0.00 H new ATOM 0 HE21 GLN B 642 -6.746 -0.251 5.333 1.00 0.00 H new ATOM 0 HE22 GLN B 642 -5.982 -0.121 6.921 1.00 0.00 H new ATOM 1691 N LEU B 643 -4.858 -3.359 1.639 1.00 0.00 N ATOM 1692 CA LEU B 643 -5.391 -4.701 1.263 1.00 0.00 C ATOM 1693 C LEU B 643 -4.276 -5.737 1.405 1.00 0.00 C ATOM 1694 O LEU B 643 -4.536 -6.907 1.590 1.00 0.00 O ATOM 1695 CB LEU B 643 -5.894 -4.682 -0.185 1.00 0.00 C ATOM 1696 CG LEU B 643 -7.229 -3.924 -0.276 1.00 0.00 C ATOM 1697 CD1 LEU B 643 -7.546 -3.646 -1.749 1.00 0.00 C ATOM 1698 CD2 LEU B 643 -8.369 -4.757 0.346 1.00 0.00 C ATOM 0 H LEU B 643 -4.592 -2.763 0.855 1.00 0.00 H new ATOM 0 HA LEU B 643 -6.222 -4.957 1.920 1.00 0.00 H new ATOM 0 HB2 LEU B 643 -5.153 -4.207 -0.828 1.00 0.00 H new ATOM 0 HB3 LEU B 643 -6.022 -5.702 -0.546 1.00 0.00 H new ATOM 0 HG LEU B 643 -7.143 -2.987 0.274 1.00 0.00 H new ATOM 0 HD11 LEU B 643 -8.491 -3.109 -1.823 1.00 0.00 H new ATOM 0 HD12 LEU B 643 -6.750 -3.042 -2.185 1.00 0.00 H new ATOM 0 HD13 LEU B 643 -7.622 -4.590 -2.289 1.00 0.00 H new ATOM 0 HD21 LEU B 643 -9.306 -4.204 0.272 1.00 0.00 H new ATOM 0 HD22 LEU B 643 -8.462 -5.702 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU B 643 -8.145 -4.954 1.395 1.00 0.00 H new ATOM 1710 N ALA B 644 -3.040 -5.329 1.346 1.00 0.00 N ATOM 1711 CA ALA B 644 -1.928 -6.313 1.514 1.00 0.00 C ATOM 1712 C ALA B 644 -1.626 -6.469 3.006 1.00 0.00 C ATOM 1713 O ALA B 644 -1.535 -7.570 3.513 1.00 0.00 O ATOM 1714 CB ALA B 644 -0.681 -5.829 0.774 1.00 0.00 C ATOM 0 H ALA B 644 -2.750 -4.364 1.190 1.00 0.00 H new ATOM 0 HA ALA B 644 -2.224 -7.275 1.097 1.00 0.00 H new ATOM 0 HB1 ALA B 644 0.123 -6.554 0.903 1.00 0.00 H new ATOM 0 HB2 ALA B 644 -0.906 -5.722 -0.287 1.00 0.00 H new ATOM 0 HB3 ALA B 644 -0.369 -4.866 1.178 1.00 0.00 H new ATOM 1720 N LEU B 645 -1.485 -5.390 3.722 1.00 0.00 N ATOM 1721 CA LEU B 645 -1.203 -5.509 5.182 1.00 0.00 C ATOM 1722 C LEU B 645 -2.421 -6.118 5.892 1.00 0.00 C ATOM 1723 O LEU B 645 -2.375 -7.233 6.371 1.00 0.00 O ATOM 1724 CB LEU B 645 -0.919 -4.117 5.769 1.00 0.00 C ATOM 1725 CG LEU B 645 0.500 -3.637 5.394 1.00 0.00 C ATOM 1726 CD1 LEU B 645 0.693 -2.193 5.894 1.00 0.00 C ATOM 1727 CD2 LEU B 645 1.565 -4.550 6.043 1.00 0.00 C ATOM 0 H LEU B 645 -1.552 -4.437 3.365 1.00 0.00 H new ATOM 0 HA LEU B 645 -0.334 -6.151 5.329 1.00 0.00 H new ATOM 0 HB2 LEU B 645 -1.657 -3.405 5.399 1.00 0.00 H new ATOM 0 HB3 LEU B 645 -1.021 -4.148 6.854 1.00 0.00 H new ATOM 0 HG LEU B 645 0.615 -3.676 4.311 1.00 0.00 H new ATOM 0 HD11 LEU B 645 1.693 -1.848 5.632 1.00 0.00 H new ATOM 0 HD12 LEU B 645 -0.048 -1.544 5.427 1.00 0.00 H new ATOM 0 HD13 LEU B 645 0.571 -2.163 6.977 1.00 0.00 H new ATOM 0 HD21 LEU B 645 2.560 -4.199 5.770 1.00 0.00 H new ATOM 0 HD22 LEU B 645 1.456 -4.523 7.127 1.00 0.00 H new ATOM 0 HD23 LEU B 645 1.431 -5.573 5.690 1.00 0.00 H new ATOM 1739 N ASN B 646 -3.499 -5.389 5.982 1.00 0.00 N ATOM 1740 CA ASN B 646 -4.707 -5.920 6.684 1.00 0.00 C ATOM 1741 C ASN B 646 -5.016 -7.353 6.234 1.00 0.00 C ATOM 1742 O ASN B 646 -5.803 -8.042 6.853 1.00 0.00 O ATOM 1743 CB ASN B 646 -5.911 -5.026 6.379 1.00 0.00 C ATOM 1744 CG ASN B 646 -5.544 -3.564 6.639 1.00 0.00 C ATOM 1745 OD1 ASN B 646 -4.573 -3.065 6.107 1.00 0.00 O ATOM 1746 ND2 ASN B 646 -6.285 -2.852 7.444 1.00 0.00 N ATOM 0 H ASN B 646 -3.598 -4.448 5.601 1.00 0.00 H new ATOM 0 HA ASN B 646 -4.507 -5.926 7.755 1.00 0.00 H new ATOM 0 HB2 ASN B 646 -6.219 -5.155 5.341 1.00 0.00 H new ATOM 0 HB3 ASN B 646 -6.758 -5.315 7.001 1.00 0.00 H new ATOM 0 HD21 ASN B 646 -6.048 -1.877 7.626 1.00 0.00 H new ATOM 0 HD22 ASN B 646 -7.101 -3.271 7.891 1.00 0.00 H new ATOM 1753 N LYS B 647 -4.415 -7.812 5.164 1.00 0.00 N ATOM 1754 CA LYS B 647 -4.693 -9.205 4.681 1.00 0.00 C ATOM 1755 C LYS B 647 -3.578 -10.151 5.133 1.00 0.00 C ATOM 1756 O LYS B 647 -3.704 -11.356 5.034 1.00 0.00 O ATOM 1757 CB LYS B 647 -4.762 -9.208 3.153 1.00 0.00 C ATOM 1758 CG LYS B 647 -4.961 -10.642 2.650 1.00 0.00 C ATOM 1759 CD LYS B 647 -5.438 -10.614 1.195 1.00 0.00 C ATOM 1760 CE LYS B 647 -5.640 -12.046 0.697 1.00 0.00 C ATOM 1761 NZ LYS B 647 -6.737 -12.690 1.472 1.00 0.00 N ATOM 0 H LYS B 647 -3.745 -7.285 4.604 1.00 0.00 H new ATOM 0 HA LYS B 647 -5.642 -9.542 5.098 1.00 0.00 H new ATOM 0 HB2 LYS B 647 -5.583 -8.576 2.815 1.00 0.00 H new ATOM 0 HB3 LYS B 647 -3.846 -8.790 2.737 1.00 0.00 H new ATOM 0 HG2 LYS B 647 -4.027 -11.198 2.726 1.00 0.00 H new ATOM 0 HG3 LYS B 647 -5.691 -11.159 3.273 1.00 0.00 H new ATOM 0 HD2 LYS B 647 -6.371 -10.056 1.118 1.00 0.00 H new ATOM 0 HD3 LYS B 647 -4.707 -10.100 0.571 1.00 0.00 H new ATOM 0 HE2 LYS B 647 -5.884 -12.042 -0.365 1.00 0.00 H new ATOM 0 HE3 LYS B 647 -4.717 -12.615 0.810 1.00 0.00 H new ATOM 0 HZ1 LYS B 647 -7.106 -13.504 0.941 1.00 0.00 H new ATOM 0 HZ2 LYS B 647 -6.370 -13.013 2.390 1.00 0.00 H new ATOM 0 HZ3 LYS B 647 -7.502 -12.003 1.627 1.00 0.00 H new ATOM 1775 N HIS B 648 -2.488 -9.618 5.628 1.00 0.00 N ATOM 1776 CA HIS B 648 -1.353 -10.483 6.087 1.00 0.00 C ATOM 1777 C HIS B 648 -1.232 -10.402 7.610 1.00 0.00 C ATOM 1778 O HIS B 648 -0.252 -10.832 8.186 1.00 0.00 O ATOM 1779 CB HIS B 648 -0.055 -9.987 5.445 1.00 0.00 C ATOM 1780 CG HIS B 648 -0.026 -10.395 3.995 1.00 0.00 C ATOM 1781 ND1 HIS B 648 -0.265 -11.698 3.591 1.00 0.00 N ATOM 1782 CD2 HIS B 648 0.210 -9.683 2.844 1.00 0.00 C ATOM 1783 CE1 HIS B 648 -0.169 -11.731 2.248 1.00 0.00 C ATOM 1784 NE2 HIS B 648 0.118 -10.529 1.743 1.00 0.00 N ATOM 0 H HIS B 648 -2.333 -8.615 5.735 1.00 0.00 H new ATOM 0 HA HIS B 648 -1.537 -11.517 5.795 1.00 0.00 H new ATOM 0 HB2 HIS B 648 0.015 -8.903 5.530 1.00 0.00 H new ATOM 0 HB3 HIS B 648 0.805 -10.404 5.969 1.00 0.00 H new ATOM 0 HD1 HIS B 648 -0.475 -12.489 4.200 1.00 0.00 H new ATOM 0 HD2 HIS B 648 0.433 -8.627 2.800 1.00 0.00 H new ATOM 0 HE1 HIS B 648 -0.307 -12.621 1.652 1.00 0.00 H new ATOM 1792 N MET B 649 -2.221 -9.855 8.269 1.00 0.00 N ATOM 1793 CA MET B 649 -2.170 -9.746 9.759 1.00 0.00 C ATOM 1794 C MET B 649 -2.943 -10.912 10.381 1.00 0.00 C ATOM 1795 O MET B 649 -4.096 -11.140 10.071 1.00 0.00 O ATOM 1796 CB MET B 649 -2.808 -8.424 10.196 1.00 0.00 C ATOM 1797 CG MET B 649 -1.890 -7.258 9.816 1.00 0.00 C ATOM 1798 SD MET B 649 -2.486 -5.740 10.604 1.00 0.00 S ATOM 1799 CE MET B 649 -0.872 -5.038 11.028 1.00 0.00 C ATOM 0 H MET B 649 -3.065 -9.478 7.838 1.00 0.00 H new ATOM 0 HA MET B 649 -1.132 -9.777 10.090 1.00 0.00 H new ATOM 0 HB2 MET B 649 -3.781 -8.304 9.720 1.00 0.00 H new ATOM 0 HB3 MET B 649 -2.978 -8.430 11.273 1.00 0.00 H new ATOM 0 HG2 MET B 649 -0.868 -7.468 10.132 1.00 0.00 H new ATOM 0 HG3 MET B 649 -1.870 -7.135 8.733 1.00 0.00 H new ATOM 0 HE1 MET B 649 -1.012 -4.082 11.532 1.00 0.00 H new ATOM 0 HE2 MET B 649 -0.340 -5.722 11.689 1.00 0.00 H new ATOM 0 HE3 MET B 649 -0.291 -4.887 10.118 1.00 0.00 H new ATOM 1809 N ASN B 650 -2.316 -11.652 11.255 1.00 0.00 N ATOM 1810 CA ASN B 650 -3.013 -12.803 11.898 1.00 0.00 C ATOM 1811 C ASN B 650 -2.323 -13.142 13.220 1.00 0.00 C ATOM 1812 O ASN B 650 -1.466 -12.378 13.631 1.00 0.00 O ATOM 1813 CB ASN B 650 -2.957 -14.016 10.967 1.00 0.00 C ATOM 1814 CG ASN B 650 -3.725 -13.709 9.681 1.00 0.00 C ATOM 1815 OD1 ASN B 650 -3.155 -13.692 8.608 1.00 0.00 O ATOM 1816 ND2 ASN B 650 -5.006 -13.465 9.742 1.00 0.00 N ATOM 1817 OXT ASN B 650 -2.662 -14.162 13.798 1.00 0.00 O ATOM 0 H ASN B 650 -1.351 -11.509 11.552 1.00 0.00 H new ATOM 0 HA ASN B 650 -4.053 -12.539 12.089 1.00 0.00 H new ATOM 0 HB2 ASN B 650 -1.921 -14.261 10.734 1.00 0.00 H new ATOM 0 HB3 ASN B 650 -3.388 -14.887 11.461 1.00 0.00 H new ATOM 0 HD21 ASN B 650 -5.527 -13.260 8.890 1.00 0.00 H new ATOM 0 HD22 ASN B 650 -5.486 -13.479 10.642 1.00 0.00 H new