USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 304 SER OG : rot 180:sc= 0 USER MOD Single : A 305 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 306 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 307 ASN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 308 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.16) 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 -12:sc= 0.49 USER MOD Single : B 620 CYS SG : rot 86:sc= 0.485 USER MOD Single : B 621 SER OG : rot -14:sc= 0.22 USER MOD Single : B 624 MET CE :methyl 157:sc= -0.173 (180deg=-1.26) USER MOD Single : B 626 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 628 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 630 SER OG : rot 180:sc= 0 USER MOD Single : B 637 ASN : amide:sc= -6.9! C(o=-6.9!,f=-8.4!) USER MOD Single : B 642 GLN : amide:sc= -0.716 K(o=-0.72,f=-1.9) USER MOD Single : B 646 ASN : amide:sc= -6.28! K(o=-6.3!,f=-2.2) USER MOD Single : B 647 LYS NZ :NH3+ -172:sc= 0.199 (180deg=-0.0391) USER MOD Single : B 648 HIS : no HD1:sc= -5.94! C(o=-5.9!,f=-4.3!) USER MOD Single : B 649 MET CE :methyl 160:sc= 0 (180deg=-0.0583) USER MOD Single : B 650 ASN : amide:sc= -0.039 K(o=-0.039,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 338 N GLU A 301 18.390 -2.852 -2.048 1.00 0.00 N ATOM 339 CA GLU A 301 17.740 -3.957 -2.807 1.00 0.00 C ATOM 340 C GLU A 301 16.229 -3.899 -2.597 1.00 0.00 C ATOM 341 O GLU A 301 15.456 -4.176 -3.491 1.00 0.00 O ATOM 342 CB GLU A 301 18.281 -5.298 -2.291 1.00 0.00 C ATOM 343 CG GLU A 301 17.472 -6.466 -2.885 1.00 0.00 C ATOM 344 CD GLU A 301 16.213 -6.713 -2.046 1.00 0.00 C ATOM 345 OE1 GLU A 301 16.336 -7.320 -0.995 1.00 0.00 O ATOM 346 OE2 GLU A 301 15.150 -6.290 -2.469 1.00 0.00 O ATOM 0 HA GLU A 301 17.958 -3.856 -3.870 1.00 0.00 H new ATOM 0 HB2 GLU A 301 19.332 -5.401 -2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 301 18.226 -5.325 -1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 301 17.194 -6.240 -3.915 1.00 0.00 H new ATOM 0 HG3 GLU A 301 18.084 -7.367 -2.911 1.00 0.00 H new ATOM 353 N PHE A 302 15.804 -3.540 -1.420 1.00 0.00 N ATOM 354 CA PHE A 302 14.345 -3.464 -1.153 1.00 0.00 C ATOM 355 C PHE A 302 13.713 -2.428 -2.085 1.00 0.00 C ATOM 356 O PHE A 302 12.847 -2.736 -2.882 1.00 0.00 O ATOM 357 CB PHE A 302 14.116 -3.054 0.304 1.00 0.00 C ATOM 358 CG PHE A 302 12.637 -3.083 0.614 1.00 0.00 C ATOM 359 CD1 PHE A 302 11.816 -2.025 0.210 1.00 0.00 C ATOM 360 CD2 PHE A 302 12.088 -4.169 1.308 1.00 0.00 C ATOM 361 CE1 PHE A 302 10.445 -2.050 0.499 1.00 0.00 C ATOM 362 CE2 PHE A 302 10.719 -4.195 1.597 1.00 0.00 C ATOM 363 CZ PHE A 302 9.897 -3.136 1.192 1.00 0.00 C ATOM 0 H PHE A 302 16.404 -3.296 -0.632 1.00 0.00 H new ATOM 0 HA PHE A 302 13.888 -4.437 -1.330 1.00 0.00 H new ATOM 0 HB2 PHE A 302 14.651 -3.731 0.971 1.00 0.00 H new ATOM 0 HB3 PHE A 302 14.514 -2.054 0.478 1.00 0.00 H new ATOM 0 HD1 PHE A 302 12.239 -1.188 -0.325 1.00 0.00 H new ATOM 0 HD2 PHE A 302 12.721 -4.986 1.620 1.00 0.00 H new ATOM 0 HE1 PHE A 302 9.812 -1.232 0.187 1.00 0.00 H new ATOM 0 HE2 PHE A 302 10.296 -5.032 2.133 1.00 0.00 H new ATOM 0 HZ PHE A 302 8.840 -3.157 1.414 1.00 0.00 H new ATOM 373 N CYS A 303 14.139 -1.199 -1.990 1.00 0.00 N ATOM 374 CA CYS A 303 13.564 -0.138 -2.862 1.00 0.00 C ATOM 375 C CYS A 303 14.191 -0.205 -4.260 1.00 0.00 C ATOM 376 O CYS A 303 13.505 -0.185 -5.263 1.00 0.00 O ATOM 377 CB CYS A 303 13.847 1.233 -2.241 1.00 0.00 C ATOM 378 SG CYS A 303 12.710 2.457 -2.940 1.00 0.00 S ATOM 0 H CYS A 303 14.863 -0.883 -1.344 1.00 0.00 H new ATOM 0 HA CYS A 303 12.488 -0.291 -2.949 1.00 0.00 H new ATOM 0 HB2 CYS A 303 13.727 1.186 -1.159 1.00 0.00 H new ATOM 0 HB3 CYS A 303 14.879 1.526 -2.435 1.00 0.00 H new ATOM 383 N SER A 304 15.491 -0.265 -4.328 1.00 0.00 N ATOM 384 CA SER A 304 16.180 -0.313 -5.651 1.00 0.00 C ATOM 385 C SER A 304 15.613 -1.442 -6.518 1.00 0.00 C ATOM 386 O SER A 304 15.632 -1.361 -7.736 1.00 0.00 O ATOM 387 CB SER A 304 17.675 -0.546 -5.431 1.00 0.00 C ATOM 388 OG SER A 304 18.348 -0.485 -6.680 1.00 0.00 O ATOM 0 H SER A 304 16.112 -0.283 -3.519 1.00 0.00 H new ATOM 0 HA SER A 304 16.018 0.635 -6.165 1.00 0.00 H new ATOM 0 HB2 SER A 304 18.076 0.206 -4.752 1.00 0.00 H new ATOM 0 HB3 SER A 304 17.839 -1.517 -4.964 1.00 0.00 H new ATOM 0 HG SER A 304 19.307 -0.632 -6.542 1.00 0.00 H new ATOM 394 N LYS A 305 15.063 -2.475 -5.916 1.00 0.00 N ATOM 395 CA LYS A 305 14.465 -3.583 -6.739 1.00 0.00 C ATOM 396 C LYS A 305 12.960 -3.361 -6.811 1.00 0.00 C ATOM 397 O LYS A 305 12.277 -3.898 -7.668 1.00 0.00 O ATOM 398 CB LYS A 305 14.793 -4.960 -6.158 1.00 0.00 C ATOM 399 CG LYS A 305 14.436 -6.044 -7.177 1.00 0.00 C ATOM 400 CD LYS A 305 14.958 -7.402 -6.693 1.00 0.00 C ATOM 401 CE LYS A 305 14.250 -7.800 -5.392 1.00 0.00 C ATOM 402 NZ LYS A 305 14.367 -9.274 -5.195 1.00 0.00 N ATOM 0 H LYS A 305 15.002 -2.599 -4.905 1.00 0.00 H new ATOM 0 HA LYS A 305 14.894 -3.563 -7.741 1.00 0.00 H new ATOM 0 HB2 LYS A 305 15.852 -5.017 -5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 305 14.237 -5.118 -5.234 1.00 0.00 H new ATOM 0 HG2 LYS A 305 13.355 -6.087 -7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 305 14.870 -5.802 -8.147 1.00 0.00 H new ATOM 0 HD2 LYS A 305 14.787 -8.160 -7.457 1.00 0.00 H new ATOM 0 HD3 LYS A 305 16.035 -7.351 -6.530 1.00 0.00 H new ATOM 0 HE2 LYS A 305 14.694 -7.273 -4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 305 13.200 -7.510 -5.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 305 13.887 -9.546 -4.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 305 13.924 -9.768 -5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 305 15.371 -9.538 -5.138 1.00 0.00 H new ATOM 416 N MET A 306 12.433 -2.518 -5.972 1.00 0.00 N ATOM 417 CA MET A 306 10.988 -2.225 -6.064 1.00 0.00 C ATOM 418 C MET A 306 10.793 -1.326 -7.278 1.00 0.00 C ATOM 419 O MET A 306 9.718 -1.263 -7.841 1.00 0.00 O ATOM 420 CB MET A 306 10.500 -1.508 -4.804 1.00 0.00 C ATOM 421 CG MET A 306 9.002 -1.229 -4.929 1.00 0.00 C ATOM 422 SD MET A 306 8.366 -0.608 -3.351 1.00 0.00 S ATOM 423 CE MET A 306 7.854 -2.202 -2.665 1.00 0.00 C ATOM 0 H MET A 306 12.938 -2.026 -5.235 1.00 0.00 H new ATOM 0 HA MET A 306 10.418 -3.149 -6.160 1.00 0.00 H new ATOM 0 HB2 MET A 306 10.695 -2.121 -3.924 1.00 0.00 H new ATOM 0 HB3 MET A 306 11.045 -0.574 -4.669 1.00 0.00 H new ATOM 0 HG2 MET A 306 8.822 -0.498 -5.718 1.00 0.00 H new ATOM 0 HG3 MET A 306 8.475 -2.140 -5.212 1.00 0.00 H new ATOM 0 HE1 MET A 306 7.425 -2.051 -1.675 1.00 0.00 H new ATOM 0 HE2 MET A 306 7.109 -2.657 -3.318 1.00 0.00 H new ATOM 0 HE3 MET A 306 8.720 -2.860 -2.589 1.00 0.00 H new ATOM 433 N ASN A 307 11.833 -0.647 -7.720 1.00 0.00 N ATOM 434 CA ASN A 307 11.677 0.211 -8.931 1.00 0.00 C ATOM 435 C ASN A 307 11.877 -0.711 -10.129 1.00 0.00 C ATOM 436 O ASN A 307 11.178 -0.637 -11.115 1.00 0.00 O ATOM 437 CB ASN A 307 12.717 1.334 -8.935 1.00 0.00 C ATOM 438 CG ASN A 307 12.598 2.143 -7.642 1.00 0.00 C ATOM 439 OD1 ASN A 307 11.509 2.451 -7.201 1.00 0.00 O ATOM 440 ND2 ASN A 307 13.683 2.505 -7.013 1.00 0.00 N ATOM 0 H ASN A 307 12.762 -0.653 -7.300 1.00 0.00 H new ATOM 0 HA ASN A 307 10.697 0.688 -8.956 1.00 0.00 H new ATOM 0 HB2 ASN A 307 13.720 0.916 -9.024 1.00 0.00 H new ATOM 0 HB3 ASN A 307 12.565 1.982 -9.798 1.00 0.00 H new ATOM 0 HD21 ASN A 307 13.616 3.046 -6.151 1.00 0.00 H new ATOM 0 HD22 ASN A 307 14.598 2.246 -7.383 1.00 0.00 H new ATOM 447 N GLN A 308 12.840 -1.606 -10.005 1.00 0.00 N ATOM 448 CA GLN A 308 13.123 -2.605 -11.090 1.00 0.00 C ATOM 449 C GLN A 308 11.803 -3.075 -11.704 1.00 0.00 C ATOM 450 O GLN A 308 11.668 -3.179 -12.905 1.00 0.00 O ATOM 451 CB GLN A 308 13.842 -3.814 -10.483 1.00 0.00 C ATOM 452 CG GLN A 308 14.226 -4.813 -11.583 1.00 0.00 C ATOM 453 CD GLN A 308 15.300 -4.197 -12.483 1.00 0.00 C ATOM 454 OE1 GLN A 308 16.476 -4.270 -12.183 1.00 0.00 O ATOM 455 NE2 GLN A 308 14.943 -3.590 -13.581 1.00 0.00 N ATOM 0 H GLN A 308 13.446 -1.684 -9.188 1.00 0.00 H new ATOM 0 HA GLN A 308 13.745 -2.144 -11.857 1.00 0.00 H new ATOM 0 HB2 GLN A 308 14.736 -3.486 -9.953 1.00 0.00 H new ATOM 0 HB3 GLN A 308 13.197 -4.299 -9.751 1.00 0.00 H new ATOM 0 HG2 GLN A 308 14.596 -5.736 -11.137 1.00 0.00 H new ATOM 0 HG3 GLN A 308 13.348 -5.074 -12.174 1.00 0.00 H new ATOM 0 HE21 GLN A 308 13.956 -3.529 -13.832 1.00 0.00 H new ATOM 0 HE22 GLN A 308 15.651 -3.176 -14.188 1.00 0.00 H new ATOM 464 N VAL A 309 10.820 -3.352 -10.880 1.00 0.00 N ATOM 465 CA VAL A 309 9.499 -3.806 -11.418 1.00 0.00 C ATOM 466 C VAL A 309 9.086 -2.881 -12.572 1.00 0.00 C ATOM 467 O VAL A 309 8.223 -3.189 -13.370 1.00 0.00 O ATOM 468 CB VAL A 309 8.439 -3.745 -10.308 1.00 0.00 C ATOM 469 CG1 VAL A 309 7.122 -4.312 -10.846 1.00 0.00 C ATOM 470 CG2 VAL A 309 8.907 -4.583 -9.107 1.00 0.00 C ATOM 0 H VAL A 309 10.875 -3.284 -9.864 1.00 0.00 H new ATOM 0 HA VAL A 309 9.582 -4.832 -11.777 1.00 0.00 H new ATOM 0 HB VAL A 309 8.294 -2.712 -9.991 1.00 0.00 H new ATOM 0 HG11 VAL A 309 6.363 -4.273 -10.065 1.00 0.00 H new ATOM 0 HG12 VAL A 309 6.794 -3.721 -11.701 1.00 0.00 H new ATOM 0 HG13 VAL A 309 7.271 -5.346 -11.156 1.00 0.00 H new ATOM 0 HG21 VAL A 309 8.155 -4.540 -8.319 1.00 0.00 H new ATOM 0 HG22 VAL A 309 9.048 -5.618 -9.418 1.00 0.00 H new ATOM 0 HG23 VAL A 309 9.850 -4.186 -8.731 1.00 0.00 H new ATOM 480 N CYS A 310 9.724 -1.748 -12.647 1.00 0.00 N ATOM 481 CA CYS A 310 9.442 -0.752 -13.716 1.00 0.00 C ATOM 482 C CYS A 310 10.313 -1.049 -14.939 1.00 0.00 C ATOM 483 O CYS A 310 10.423 -0.245 -15.843 1.00 0.00 O ATOM 484 CB CYS A 310 9.785 0.641 -13.182 1.00 0.00 C ATOM 485 SG CYS A 310 8.929 0.913 -11.611 1.00 0.00 S ATOM 0 H CYS A 310 10.451 -1.463 -11.991 1.00 0.00 H new ATOM 0 HA CYS A 310 8.392 -0.802 -14.003 1.00 0.00 H new ATOM 0 HB2 CYS A 310 10.862 0.733 -13.042 1.00 0.00 H new ATOM 0 HB3 CYS A 310 9.491 1.402 -13.905 1.00 0.00 H new ATOM 490 N GLY A 311 10.930 -2.198 -14.976 1.00 0.00 N ATOM 491 CA GLY A 311 11.793 -2.547 -16.143 1.00 0.00 C ATOM 492 C GLY A 311 10.926 -3.130 -17.260 1.00 0.00 C ATOM 493 O GLY A 311 10.292 -4.153 -17.097 1.00 0.00 O ATOM 0 H GLY A 311 10.875 -2.911 -14.249 1.00 0.00 H new ATOM 0 HA2 GLY A 311 12.317 -1.660 -16.500 1.00 0.00 H new ATOM 0 HA3 GLY A 311 12.554 -3.268 -15.844 1.00 0.00 H new ATOM 928 N GLY B 593 -6.764 6.676 -0.952 1.00 0.00 N ATOM 929 CA GLY B 593 -5.437 6.387 -0.344 1.00 0.00 C ATOM 930 C GLY B 593 -4.396 7.329 -0.947 1.00 0.00 C ATOM 931 O GLY B 593 -4.557 7.825 -2.045 1.00 0.00 O ATOM 0 HA2 GLY B 593 -5.482 6.518 0.737 1.00 0.00 H new ATOM 0 HA3 GLY B 593 -5.157 5.350 -0.528 1.00 0.00 H new ATOM 935 N SER B 594 -3.330 7.587 -0.240 1.00 0.00 N ATOM 936 CA SER B 594 -2.281 8.505 -0.776 1.00 0.00 C ATOM 937 C SER B 594 -1.229 7.715 -1.547 1.00 0.00 C ATOM 938 O SER B 594 -1.115 6.510 -1.432 1.00 0.00 O ATOM 939 CB SER B 594 -1.590 9.242 0.367 1.00 0.00 C ATOM 940 OG SER B 594 -2.502 10.155 0.961 1.00 0.00 O ATOM 0 H SER B 594 -3.139 7.203 0.685 1.00 0.00 H new ATOM 0 HA SER B 594 -2.766 9.221 -1.440 1.00 0.00 H new ATOM 0 HB2 SER B 594 -1.235 8.529 1.112 1.00 0.00 H new ATOM 0 HB3 SER B 594 -0.716 9.775 -0.006 1.00 0.00 H new ATOM 0 HG SER B 594 -2.059 10.628 1.697 1.00 0.00 H new ATOM 946 N LEU B 595 -0.451 8.411 -2.320 1.00 0.00 N ATOM 947 CA LEU B 595 0.626 7.767 -3.113 1.00 0.00 C ATOM 948 C LEU B 595 1.835 7.549 -2.211 1.00 0.00 C ATOM 949 O LEU B 595 2.386 8.494 -1.680 1.00 0.00 O ATOM 950 CB LEU B 595 1.013 8.718 -4.241 1.00 0.00 C ATOM 951 CG LEU B 595 -0.230 9.118 -5.045 1.00 0.00 C ATOM 952 CD1 LEU B 595 0.207 9.895 -6.289 1.00 0.00 C ATOM 953 CD2 LEU B 595 -1.011 7.866 -5.468 1.00 0.00 C ATOM 0 H LEU B 595 -0.518 9.422 -2.438 1.00 0.00 H new ATOM 0 HA LEU B 595 0.290 6.812 -3.517 1.00 0.00 H new ATOM 0 HB2 LEU B 595 1.491 9.607 -3.829 1.00 0.00 H new ATOM 0 HB3 LEU B 595 1.741 8.240 -4.896 1.00 0.00 H new ATOM 0 HG LEU B 595 -0.875 9.742 -4.426 1.00 0.00 H new ATOM 0 HD11 LEU B 595 -0.672 10.183 -6.866 1.00 0.00 H new ATOM 0 HD12 LEU B 595 0.751 10.790 -5.987 1.00 0.00 H new ATOM 0 HD13 LEU B 595 0.853 9.267 -6.902 1.00 0.00 H new ATOM 0 HD21 LEU B 595 -1.892 8.162 -6.038 1.00 0.00 H new ATOM 0 HD22 LEU B 595 -0.375 7.232 -6.086 1.00 0.00 H new ATOM 0 HD23 LEU B 595 -1.322 7.314 -4.581 1.00 0.00 H new ATOM 965 N LEU B 596 2.246 6.312 -2.012 1.00 0.00 N ATOM 966 CA LEU B 596 3.423 6.040 -1.113 1.00 0.00 C ATOM 967 C LEU B 596 4.448 5.185 -1.872 1.00 0.00 C ATOM 968 O LEU B 596 4.114 4.473 -2.799 1.00 0.00 O ATOM 969 CB LEU B 596 2.953 5.303 0.156 1.00 0.00 C ATOM 970 CG LEU B 596 1.662 5.956 0.756 1.00 0.00 C ATOM 971 CD1 LEU B 596 0.616 4.876 1.075 1.00 0.00 C ATOM 972 CD2 LEU B 596 2.009 6.710 2.050 1.00 0.00 C ATOM 0 H LEU B 596 1.821 5.485 -2.430 1.00 0.00 H new ATOM 0 HA LEU B 596 3.885 6.982 -0.818 1.00 0.00 H new ATOM 0 HB2 LEU B 596 2.756 4.258 -0.081 1.00 0.00 H new ATOM 0 HB3 LEU B 596 3.748 5.316 0.901 1.00 0.00 H new ATOM 0 HG LEU B 596 1.254 6.650 0.021 1.00 0.00 H new ATOM 0 HD11 LEU B 596 -0.276 5.345 1.491 1.00 0.00 H new ATOM 0 HD12 LEU B 596 0.353 4.343 0.161 1.00 0.00 H new ATOM 0 HD13 LEU B 596 1.028 4.173 1.799 1.00 0.00 H new ATOM 0 HD21 LEU B 596 1.106 7.161 2.461 1.00 0.00 H new ATOM 0 HD22 LEU B 596 2.429 6.013 2.775 1.00 0.00 H new ATOM 0 HD23 LEU B 596 2.738 7.491 1.832 1.00 0.00 H new ATOM 984 N ARG B 597 5.706 5.279 -1.498 1.00 0.00 N ATOM 985 CA ARG B 597 6.780 4.508 -2.209 1.00 0.00 C ATOM 986 C ARG B 597 7.227 3.287 -1.391 1.00 0.00 C ATOM 987 O ARG B 597 6.434 2.632 -0.743 1.00 0.00 O ATOM 988 CB ARG B 597 7.983 5.427 -2.437 1.00 0.00 C ATOM 989 CG ARG B 597 7.519 6.711 -3.140 1.00 0.00 C ATOM 990 CD ARG B 597 8.708 7.679 -3.336 1.00 0.00 C ATOM 991 NE ARG B 597 8.293 9.075 -2.979 1.00 0.00 N ATOM 992 CZ ARG B 597 7.180 9.591 -3.432 1.00 0.00 C ATOM 993 NH1 ARG B 597 6.446 8.941 -4.292 1.00 0.00 N ATOM 994 NH2 ARG B 597 6.814 10.783 -3.042 1.00 0.00 N ATOM 0 H ARG B 597 6.036 5.860 -0.727 1.00 0.00 H new ATOM 0 HA ARG B 597 6.380 4.154 -3.159 1.00 0.00 H new ATOM 0 HB2 ARG B 597 8.454 5.671 -1.485 1.00 0.00 H new ATOM 0 HB3 ARG B 597 8.733 4.919 -3.043 1.00 0.00 H new ATOM 0 HG2 ARG B 597 7.079 6.465 -4.107 1.00 0.00 H new ATOM 0 HG3 ARG B 597 6.741 7.195 -2.550 1.00 0.00 H new ATOM 0 HD2 ARG B 597 9.547 7.369 -2.713 1.00 0.00 H new ATOM 0 HD3 ARG B 597 9.049 7.645 -4.371 1.00 0.00 H new ATOM 0 HE ARG B 597 8.891 9.634 -2.370 1.00 0.00 H new ATOM 0 HH11 ARG B 597 6.738 8.020 -4.618 1.00 0.00 H new ATOM 0 HH12 ARG B 597 5.580 9.354 -4.638 1.00 0.00 H new ATOM 0 HH21 ARG B 597 7.395 11.306 -2.387 1.00 0.00 H new ATOM 0 HH22 ARG B 597 5.947 11.190 -3.392 1.00 0.00 H new ATOM 1008 N CYS B 598 8.498 2.965 -1.452 1.00 0.00 N ATOM 1009 CA CYS B 598 9.022 1.770 -0.719 1.00 0.00 C ATOM 1010 C CYS B 598 9.153 2.053 0.782 1.00 0.00 C ATOM 1011 O CYS B 598 8.190 1.979 1.519 1.00 0.00 O ATOM 1012 CB CYS B 598 10.398 1.395 -1.285 1.00 0.00 C ATOM 1013 SG CYS B 598 11.426 2.880 -1.436 1.00 0.00 S ATOM 0 H CYS B 598 9.199 3.483 -1.982 1.00 0.00 H new ATOM 0 HA CYS B 598 8.319 0.948 -0.853 1.00 0.00 H new ATOM 0 HB2 CYS B 598 10.884 0.670 -0.633 1.00 0.00 H new ATOM 0 HB3 CYS B 598 10.283 0.920 -2.260 1.00 0.00 H new ATOM 1018 N SER B 599 10.345 2.353 1.243 1.00 0.00 N ATOM 1019 CA SER B 599 10.551 2.618 2.702 1.00 0.00 C ATOM 1020 C SER B 599 9.425 3.508 3.223 1.00 0.00 C ATOM 1021 O SER B 599 9.125 3.542 4.408 1.00 0.00 O ATOM 1022 CB SER B 599 11.893 3.323 2.908 1.00 0.00 C ATOM 1023 OG SER B 599 11.835 4.103 4.095 1.00 0.00 O ATOM 0 H SER B 599 11.185 2.426 0.670 1.00 0.00 H new ATOM 0 HA SER B 599 10.549 1.673 3.246 1.00 0.00 H new ATOM 0 HB2 SER B 599 12.695 2.589 2.980 1.00 0.00 H new ATOM 0 HB3 SER B 599 12.118 3.959 2.052 1.00 0.00 H new ATOM 0 HG SER B 599 12.694 4.555 4.232 1.00 0.00 H new ATOM 1029 N GLU B 600 8.784 4.217 2.339 1.00 0.00 N ATOM 1030 CA GLU B 600 7.662 5.093 2.754 1.00 0.00 C ATOM 1031 C GLU B 600 6.746 4.298 3.686 1.00 0.00 C ATOM 1032 O GLU B 600 6.227 4.783 4.682 1.00 0.00 O ATOM 1033 CB GLU B 600 6.876 5.494 1.493 1.00 0.00 C ATOM 1034 CG GLU B 600 6.035 6.747 1.772 1.00 0.00 C ATOM 1035 CD GLU B 600 6.952 7.954 1.985 1.00 0.00 C ATOM 1036 OE1 GLU B 600 7.640 8.324 1.048 1.00 0.00 O ATOM 1037 OE2 GLU B 600 6.948 8.489 3.081 1.00 0.00 O ATOM 0 H GLU B 600 8.992 4.226 1.341 1.00 0.00 H new ATOM 0 HA GLU B 600 8.031 5.982 3.266 1.00 0.00 H new ATOM 0 HB2 GLU B 600 7.565 5.685 0.671 1.00 0.00 H new ATOM 0 HB3 GLU B 600 6.229 4.674 1.182 1.00 0.00 H new ATOM 0 HG2 GLU B 600 5.360 6.935 0.937 1.00 0.00 H new ATOM 0 HG3 GLU B 600 5.415 6.590 2.655 1.00 0.00 H new ATOM 1044 N ILE B 601 6.536 3.054 3.335 1.00 0.00 N ATOM 1045 CA ILE B 601 5.647 2.192 4.140 1.00 0.00 C ATOM 1046 C ILE B 601 6.335 1.875 5.473 1.00 0.00 C ATOM 1047 O ILE B 601 5.696 1.770 6.500 1.00 0.00 O ATOM 1048 CB ILE B 601 5.336 0.902 3.321 1.00 0.00 C ATOM 1049 CG1 ILE B 601 3.910 0.969 2.752 1.00 0.00 C ATOM 1050 CG2 ILE B 601 5.455 -0.366 4.175 1.00 0.00 C ATOM 1051 CD1 ILE B 601 3.851 2.018 1.642 1.00 0.00 C ATOM 0 H ILE B 601 6.950 2.604 2.518 1.00 0.00 H new ATOM 0 HA ILE B 601 4.704 2.691 4.363 1.00 0.00 H new ATOM 0 HB ILE B 601 6.071 0.852 2.517 1.00 0.00 H new ATOM 0 HG12 ILE B 601 3.617 -0.006 2.361 1.00 0.00 H new ATOM 0 HG13 ILE B 601 3.203 1.221 3.543 1.00 0.00 H new ATOM 0 HG21 ILE B 601 5.230 -1.239 3.563 1.00 0.00 H new ATOM 0 HG22 ILE B 601 6.470 -0.448 4.565 1.00 0.00 H new ATOM 0 HG23 ILE B 601 4.750 -0.313 5.005 1.00 0.00 H new ATOM 0 HD11 ILE B 601 2.839 2.065 1.239 1.00 0.00 H new ATOM 0 HD12 ILE B 601 4.126 2.992 2.047 1.00 0.00 H new ATOM 0 HD13 ILE B 601 4.546 1.746 0.847 1.00 0.00 H new ATOM 1063 N TRP B 602 7.644 1.713 5.452 1.00 0.00 N ATOM 1064 CA TRP B 602 8.388 1.399 6.711 1.00 0.00 C ATOM 1065 C TRP B 602 7.862 2.302 7.813 1.00 0.00 C ATOM 1066 O TRP B 602 7.687 1.891 8.943 1.00 0.00 O ATOM 1067 CB TRP B 602 9.886 1.645 6.520 1.00 0.00 C ATOM 1068 CG TRP B 602 10.625 1.190 7.737 1.00 0.00 C ATOM 1069 CD1 TRP B 602 11.096 2.004 8.709 1.00 0.00 C ATOM 1070 CD2 TRP B 602 10.987 -0.167 8.127 1.00 0.00 C ATOM 1071 NE1 TRP B 602 11.723 1.234 9.671 1.00 0.00 N ATOM 1072 CE2 TRP B 602 11.683 -0.110 9.359 1.00 0.00 C ATOM 1073 CE3 TRP B 602 10.783 -1.429 7.540 1.00 0.00 C ATOM 1074 CZ2 TRP B 602 12.159 -1.262 9.985 1.00 0.00 C ATOM 1075 CZ3 TRP B 602 11.261 -2.590 8.168 1.00 0.00 C ATOM 1076 CH2 TRP B 602 11.947 -2.507 9.387 1.00 0.00 C ATOM 0 H TRP B 602 8.223 1.786 4.616 1.00 0.00 H new ATOM 0 HA TRP B 602 8.241 0.351 6.973 1.00 0.00 H new ATOM 0 HB2 TRP B 602 10.244 1.108 5.642 1.00 0.00 H new ATOM 0 HB3 TRP B 602 10.072 2.704 6.344 1.00 0.00 H new ATOM 0 HD1 TRP B 602 10.998 3.079 8.730 1.00 0.00 H new ATOM 0 HE1 TRP B 602 12.162 1.613 10.510 1.00 0.00 H new ATOM 0 HE3 TRP B 602 10.256 -1.505 6.601 1.00 0.00 H new ATOM 0 HZ2 TRP B 602 12.687 -1.192 10.924 1.00 0.00 H new ATOM 0 HZ3 TRP B 602 11.099 -3.554 7.708 1.00 0.00 H new ATOM 0 HH2 TRP B 602 12.312 -3.405 9.864 1.00 0.00 H new ATOM 1087 N ASP B 603 7.567 3.526 7.480 1.00 0.00 N ATOM 1088 CA ASP B 603 7.005 4.443 8.502 1.00 0.00 C ATOM 1089 C ASP B 603 5.590 3.964 8.827 1.00 0.00 C ATOM 1090 O ASP B 603 5.185 3.914 9.971 1.00 0.00 O ATOM 1091 CB ASP B 603 6.959 5.866 7.943 1.00 0.00 C ATOM 1092 CG ASP B 603 8.378 6.322 7.597 1.00 0.00 C ATOM 1093 OD1 ASP B 603 9.305 5.831 8.221 1.00 0.00 O ATOM 1094 OD2 ASP B 603 8.514 7.152 6.714 1.00 0.00 O ATOM 0 H ASP B 603 7.690 3.927 6.550 1.00 0.00 H new ATOM 0 HA ASP B 603 7.621 4.444 9.401 1.00 0.00 H new ATOM 0 HB2 ASP B 603 6.328 5.899 7.055 1.00 0.00 H new ATOM 0 HB3 ASP B 603 6.516 6.542 8.675 1.00 0.00 H new ATOM 1099 N ARG B 604 4.838 3.596 7.819 1.00 0.00 N ATOM 1100 CA ARG B 604 3.447 3.100 8.064 1.00 0.00 C ATOM 1101 C ARG B 604 3.480 1.882 9.002 1.00 0.00 C ATOM 1102 O ARG B 604 2.537 1.606 9.716 1.00 0.00 O ATOM 1103 CB ARG B 604 2.811 2.686 6.732 1.00 0.00 C ATOM 1104 CG ARG B 604 1.289 2.501 6.900 1.00 0.00 C ATOM 1105 CD ARG B 604 0.565 3.836 6.676 1.00 0.00 C ATOM 1106 NE ARG B 604 -0.864 3.700 7.072 1.00 0.00 N ATOM 1107 CZ ARG B 604 -1.595 4.767 7.250 1.00 0.00 C ATOM 1108 NH1 ARG B 604 -1.073 5.950 7.080 1.00 0.00 N ATOM 1109 NH2 ARG B 604 -2.847 4.650 7.596 1.00 0.00 N ATOM 0 H ARG B 604 5.125 3.617 6.841 1.00 0.00 H new ATOM 0 HA ARG B 604 2.863 3.897 8.525 1.00 0.00 H new ATOM 0 HB2 ARG B 604 3.011 3.444 5.975 1.00 0.00 H new ATOM 0 HB3 ARG B 604 3.260 1.758 6.380 1.00 0.00 H new ATOM 0 HG2 ARG B 604 0.925 1.758 6.190 1.00 0.00 H new ATOM 0 HG3 ARG B 604 1.069 2.123 7.898 1.00 0.00 H new ATOM 0 HD2 ARG B 604 1.042 4.623 7.261 1.00 0.00 H new ATOM 0 HD3 ARG B 604 0.637 4.129 5.629 1.00 0.00 H new ATOM 0 HE ARG B 604 -1.271 2.774 7.204 1.00 0.00 H new ATOM 0 HH11 ARG B 604 -0.094 6.041 6.808 1.00 0.00 H new ATOM 0 HH12 ARG B 604 -1.644 6.784 7.219 1.00 0.00 H new ATOM 0 HH21 ARG B 604 -3.255 3.725 7.728 1.00 0.00 H new ATOM 0 HH22 ARG B 604 -3.418 5.484 7.735 1.00 0.00 H new ATOM 1123 N ILE B 605 4.561 1.146 8.987 1.00 0.00 N ATOM 1124 CA ILE B 605 4.678 -0.070 9.853 1.00 0.00 C ATOM 1125 C ILE B 605 5.146 0.313 11.262 1.00 0.00 C ATOM 1126 O ILE B 605 4.648 -0.195 12.247 1.00 0.00 O ATOM 1127 CB ILE B 605 5.691 -1.033 9.211 1.00 0.00 C ATOM 1128 CG1 ILE B 605 5.067 -1.643 7.953 1.00 0.00 C ATOM 1129 CG2 ILE B 605 6.051 -2.160 10.186 1.00 0.00 C ATOM 1130 CD1 ILE B 605 6.157 -2.305 7.107 1.00 0.00 C ATOM 0 H ILE B 605 5.378 1.336 8.406 1.00 0.00 H new ATOM 0 HA ILE B 605 3.703 -0.550 9.938 1.00 0.00 H new ATOM 0 HB ILE B 605 6.596 -0.481 8.959 1.00 0.00 H new ATOM 0 HG12 ILE B 605 4.311 -2.378 8.230 1.00 0.00 H new ATOM 0 HG13 ILE B 605 4.563 -0.870 7.374 1.00 0.00 H new ATOM 0 HG21 ILE B 605 6.769 -2.832 9.716 1.00 0.00 H new ATOM 0 HG22 ILE B 605 6.490 -1.734 11.088 1.00 0.00 H new ATOM 0 HG23 ILE B 605 5.151 -2.716 10.448 1.00 0.00 H new ATOM 0 HD11 ILE B 605 5.710 -2.738 6.212 1.00 0.00 H new ATOM 0 HD12 ILE B 605 6.897 -1.559 6.818 1.00 0.00 H new ATOM 0 HD13 ILE B 605 6.641 -3.090 7.687 1.00 0.00 H new ATOM 1142 N THR B 606 6.104 1.189 11.372 1.00 0.00 N ATOM 1143 CA THR B 606 6.600 1.576 12.725 1.00 0.00 C ATOM 1144 C THR B 606 5.455 2.164 13.556 1.00 0.00 C ATOM 1145 O THR B 606 5.242 1.782 14.690 1.00 0.00 O ATOM 1146 CB THR B 606 7.712 2.616 12.583 1.00 0.00 C ATOM 1147 OG1 THR B 606 7.242 3.704 11.799 1.00 0.00 O ATOM 1148 CG2 THR B 606 8.925 1.980 11.902 1.00 0.00 C ATOM 0 H THR B 606 6.564 1.653 10.589 1.00 0.00 H new ATOM 0 HA THR B 606 6.988 0.690 13.228 1.00 0.00 H new ATOM 0 HB THR B 606 8.001 2.977 13.570 1.00 0.00 H new ATOM 0 HG1 THR B 606 6.392 3.460 11.377 1.00 0.00 H new ATOM 0 HG21 THR B 606 9.717 2.722 11.801 1.00 0.00 H new ATOM 0 HG22 THR B 606 9.284 1.146 12.504 1.00 0.00 H new ATOM 0 HG23 THR B 606 8.640 1.618 10.914 1.00 0.00 H new ATOM 1267 N ILE B 614 4.042 -10.704 11.719 1.00 0.00 N ATOM 1268 CA ILE B 614 3.566 -10.620 10.299 1.00 0.00 C ATOM 1269 C ILE B 614 4.638 -11.220 9.380 1.00 0.00 C ATOM 1270 O ILE B 614 5.706 -11.591 9.825 1.00 0.00 O ATOM 1271 CB ILE B 614 3.343 -9.140 9.952 1.00 0.00 C ATOM 1272 CG1 ILE B 614 2.235 -8.581 10.852 1.00 0.00 C ATOM 1273 CG2 ILE B 614 2.938 -8.982 8.479 1.00 0.00 C ATOM 1274 CD1 ILE B 614 2.211 -7.055 10.746 1.00 0.00 C ATOM 0 HA ILE B 614 2.635 -11.172 10.169 1.00 0.00 H new ATOM 0 HB ILE B 614 4.272 -8.593 10.113 1.00 0.00 H new ATOM 0 HG12 ILE B 614 1.270 -8.992 10.556 1.00 0.00 H new ATOM 0 HG13 ILE B 614 2.406 -8.881 11.886 1.00 0.00 H new ATOM 0 HG21 ILE B 614 2.785 -7.926 8.255 1.00 0.00 H new ATOM 0 HG22 ILE B 614 3.727 -9.378 7.840 1.00 0.00 H new ATOM 0 HG23 ILE B 614 2.014 -9.529 8.295 1.00 0.00 H new ATOM 0 HD11 ILE B 614 1.423 -6.658 11.386 1.00 0.00 H new ATOM 0 HD12 ILE B 614 3.173 -6.653 11.063 1.00 0.00 H new ATOM 0 HD13 ILE B 614 2.020 -6.765 9.713 1.00 0.00 H new ATOM 1286 N ASP B 615 4.373 -11.289 8.097 1.00 0.00 N ATOM 1287 CA ASP B 615 5.372 -11.826 7.129 1.00 0.00 C ATOM 1288 C ASP B 615 5.802 -10.667 6.236 1.00 0.00 C ATOM 1289 O ASP B 615 5.039 -10.175 5.429 1.00 0.00 O ATOM 1290 CB ASP B 615 4.728 -12.922 6.275 1.00 0.00 C ATOM 1291 CG ASP B 615 4.089 -13.970 7.187 1.00 0.00 C ATOM 1292 OD1 ASP B 615 3.043 -13.681 7.746 1.00 0.00 O ATOM 1293 OD2 ASP B 615 4.654 -15.044 7.310 1.00 0.00 O ATOM 0 H ASP B 615 3.493 -10.991 7.677 1.00 0.00 H new ATOM 0 HA ASP B 615 6.227 -12.254 7.652 1.00 0.00 H new ATOM 0 HB2 ASP B 615 3.975 -12.489 5.617 1.00 0.00 H new ATOM 0 HB3 ASP B 615 5.478 -13.389 5.637 1.00 0.00 H new ATOM 1298 N VAL B 616 7.012 -10.216 6.385 1.00 0.00 N ATOM 1299 CA VAL B 616 7.483 -9.074 5.557 1.00 0.00 C ATOM 1300 C VAL B 616 7.846 -9.584 4.155 1.00 0.00 C ATOM 1301 O VAL B 616 7.973 -8.825 3.211 1.00 0.00 O ATOM 1302 CB VAL B 616 8.696 -8.420 6.256 1.00 0.00 C ATOM 1303 CG1 VAL B 616 9.992 -9.156 5.895 1.00 0.00 C ATOM 1304 CG2 VAL B 616 8.806 -6.946 5.838 1.00 0.00 C ATOM 0 H VAL B 616 7.696 -10.588 7.044 1.00 0.00 H new ATOM 0 HA VAL B 616 6.701 -8.323 5.450 1.00 0.00 H new ATOM 0 HB VAL B 616 8.548 -8.483 7.334 1.00 0.00 H new ATOM 0 HG11 VAL B 616 10.833 -8.679 6.398 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.921 -10.196 6.214 1.00 0.00 H new ATOM 0 HG13 VAL B 616 10.144 -9.117 4.816 1.00 0.00 H new ATOM 0 HG21 VAL B 616 9.663 -6.490 6.334 1.00 0.00 H new ATOM 0 HG22 VAL B 616 8.936 -6.883 4.758 1.00 0.00 H new ATOM 0 HG23 VAL B 616 7.897 -6.417 6.125 1.00 0.00 H new ATOM 1314 N ASP B 617 8.010 -10.871 4.017 1.00 0.00 N ATOM 1315 CA ASP B 617 8.376 -11.444 2.689 1.00 0.00 C ATOM 1316 C ASP B 617 7.151 -11.493 1.771 1.00 0.00 C ATOM 1317 O ASP B 617 7.241 -11.236 0.589 1.00 0.00 O ATOM 1318 CB ASP B 617 8.920 -12.860 2.881 1.00 0.00 C ATOM 1319 CG ASP B 617 9.383 -13.419 1.534 1.00 0.00 C ATOM 1320 OD1 ASP B 617 8.563 -14.003 0.845 1.00 0.00 O ATOM 1321 OD2 ASP B 617 10.548 -13.253 1.215 1.00 0.00 O ATOM 0 H ASP B 617 7.906 -11.553 4.768 1.00 0.00 H new ATOM 0 HA ASP B 617 9.136 -10.811 2.230 1.00 0.00 H new ATOM 0 HB2 ASP B 617 9.751 -12.849 3.586 1.00 0.00 H new ATOM 0 HB3 ASP B 617 8.149 -13.502 3.307 1.00 0.00 H new ATOM 1326 N GLY B 618 6.007 -11.824 2.295 1.00 0.00 N ATOM 1327 CA GLY B 618 4.796 -11.890 1.431 1.00 0.00 C ATOM 1328 C GLY B 618 4.392 -10.481 0.998 1.00 0.00 C ATOM 1329 O GLY B 618 4.167 -10.217 -0.169 1.00 0.00 O ATOM 0 H GLY B 618 5.857 -12.051 3.278 1.00 0.00 H new ATOM 0 HA2 GLY B 618 4.996 -12.506 0.555 1.00 0.00 H new ATOM 0 HA3 GLY B 618 3.977 -12.363 1.973 1.00 0.00 H new ATOM 1333 N LEU B 619 4.297 -9.570 1.924 1.00 0.00 N ATOM 1334 CA LEU B 619 3.902 -8.192 1.538 1.00 0.00 C ATOM 1335 C LEU B 619 4.932 -7.627 0.560 1.00 0.00 C ATOM 1336 O LEU B 619 4.648 -6.716 -0.190 1.00 0.00 O ATOM 1337 CB LEU B 619 3.761 -7.296 2.777 1.00 0.00 C ATOM 1338 CG LEU B 619 5.135 -6.999 3.409 1.00 0.00 C ATOM 1339 CD1 LEU B 619 5.899 -5.900 2.622 1.00 0.00 C ATOM 1340 CD2 LEU B 619 4.911 -6.544 4.860 1.00 0.00 C ATOM 0 H LEU B 619 4.473 -9.718 2.918 1.00 0.00 H new ATOM 0 HA LEU B 619 2.929 -8.221 1.048 1.00 0.00 H new ATOM 0 HB2 LEU B 619 3.276 -6.360 2.499 1.00 0.00 H new ATOM 0 HB3 LEU B 619 3.118 -7.783 3.510 1.00 0.00 H new ATOM 0 HG LEU B 619 5.743 -7.903 3.379 1.00 0.00 H new ATOM 0 HD11 LEU B 619 6.863 -5.717 3.096 1.00 0.00 H new ATOM 0 HD12 LEU B 619 6.056 -6.231 1.595 1.00 0.00 H new ATOM 0 HD13 LEU B 619 5.314 -4.980 2.621 1.00 0.00 H new ATOM 0 HD21 LEU B 619 5.872 -6.328 5.326 1.00 0.00 H new ATOM 0 HD22 LEU B 619 4.294 -5.645 4.868 1.00 0.00 H new ATOM 0 HD23 LEU B 619 4.408 -7.335 5.416 1.00 0.00 H new ATOM 1352 N CYS B 620 6.127 -8.165 0.542 1.00 0.00 N ATOM 1353 CA CYS B 620 7.144 -7.643 -0.416 1.00 0.00 C ATOM 1354 C CYS B 620 6.737 -8.014 -1.849 1.00 0.00 C ATOM 1355 O CYS B 620 6.867 -7.220 -2.758 1.00 0.00 O ATOM 1356 CB CYS B 620 8.520 -8.238 -0.094 1.00 0.00 C ATOM 1357 SG CYS B 620 9.236 -7.367 1.321 1.00 0.00 S ATOM 0 H CYS B 620 6.437 -8.931 1.140 1.00 0.00 H new ATOM 0 HA CYS B 620 7.199 -6.558 -0.326 1.00 0.00 H new ATOM 0 HB2 CYS B 620 8.426 -9.301 0.129 1.00 0.00 H new ATOM 0 HB3 CYS B 620 9.177 -8.151 -0.959 1.00 0.00 H new ATOM 0 HG CYS B 620 8.813 -7.910 2.424 1.00 0.00 H new ATOM 1363 N SER B 621 6.242 -9.210 -2.066 1.00 0.00 N ATOM 1364 CA SER B 621 5.832 -9.603 -3.453 1.00 0.00 C ATOM 1365 C SER B 621 4.432 -9.055 -3.751 1.00 0.00 C ATOM 1366 O SER B 621 3.935 -9.165 -4.854 1.00 0.00 O ATOM 1367 CB SER B 621 5.861 -11.123 -3.615 1.00 0.00 C ATOM 1368 OG SER B 621 4.946 -11.710 -2.699 1.00 0.00 O ATOM 0 H SER B 621 6.105 -9.925 -1.351 1.00 0.00 H new ATOM 0 HA SER B 621 6.539 -9.177 -4.165 1.00 0.00 H new ATOM 0 HB2 SER B 621 5.597 -11.397 -4.637 1.00 0.00 H new ATOM 0 HB3 SER B 621 6.867 -11.501 -3.434 1.00 0.00 H new ATOM 0 HG SER B 621 4.682 -11.045 -2.029 1.00 0.00 H new ATOM 1374 N GLU B 622 3.818 -8.413 -2.798 1.00 0.00 N ATOM 1375 CA GLU B 622 2.478 -7.795 -3.040 1.00 0.00 C ATOM 1376 C GLU B 622 2.671 -6.305 -3.334 1.00 0.00 C ATOM 1377 O GLU B 622 2.115 -5.780 -4.278 1.00 0.00 O ATOM 1378 CB GLU B 622 1.599 -7.939 -1.800 1.00 0.00 C ATOM 1379 CG GLU B 622 1.280 -9.415 -1.559 1.00 0.00 C ATOM 1380 CD GLU B 622 0.392 -9.548 -0.321 1.00 0.00 C ATOM 1381 OE1 GLU B 622 0.902 -9.373 0.772 1.00 0.00 O ATOM 1382 OE2 GLU B 622 -0.786 -9.821 -0.489 1.00 0.00 O ATOM 0 H GLU B 622 4.186 -8.287 -1.855 1.00 0.00 H new ATOM 0 HA GLU B 622 1.998 -8.296 -3.881 1.00 0.00 H new ATOM 0 HB2 GLU B 622 2.108 -7.521 -0.932 1.00 0.00 H new ATOM 0 HB3 GLU B 622 0.676 -7.375 -1.930 1.00 0.00 H new ATOM 0 HG2 GLU B 622 0.776 -9.836 -2.429 1.00 0.00 H new ATOM 0 HG3 GLU B 622 2.202 -9.980 -1.421 1.00 0.00 H new ATOM 1389 N LEU B 623 3.445 -5.610 -2.542 1.00 0.00 N ATOM 1390 CA LEU B 623 3.646 -4.154 -2.802 1.00 0.00 C ATOM 1391 C LEU B 623 4.584 -3.964 -4.006 1.00 0.00 C ATOM 1392 O LEU B 623 4.555 -2.942 -4.665 1.00 0.00 O ATOM 1393 CB LEU B 623 4.272 -3.485 -1.555 1.00 0.00 C ATOM 1394 CG LEU B 623 3.183 -3.055 -0.555 1.00 0.00 C ATOM 1395 CD1 LEU B 623 2.610 -4.284 0.156 1.00 0.00 C ATOM 1396 CD2 LEU B 623 3.798 -2.112 0.486 1.00 0.00 C ATOM 0 H LEU B 623 3.942 -5.983 -1.734 1.00 0.00 H new ATOM 0 HA LEU B 623 2.682 -3.694 -3.018 1.00 0.00 H new ATOM 0 HB2 LEU B 623 4.960 -4.179 -1.073 1.00 0.00 H new ATOM 0 HB3 LEU B 623 4.856 -2.616 -1.858 1.00 0.00 H new ATOM 0 HG LEU B 623 2.383 -2.546 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU B 623 1.840 -3.970 0.861 1.00 0.00 H new ATOM 0 HD12 LEU B 623 2.174 -4.960 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU B 623 3.407 -4.798 0.693 1.00 0.00 H new ATOM 0 HD21 LEU B 623 3.031 -1.805 1.197 1.00 0.00 H new ATOM 0 HD22 LEU B 623 4.598 -2.628 1.017 1.00 0.00 H new ATOM 0 HD23 LEU B 623 4.203 -1.232 -0.014 1.00 0.00 H new ATOM 1408 N MET B 624 5.438 -4.916 -4.279 1.00 0.00 N ATOM 1409 CA MET B 624 6.397 -4.755 -5.414 1.00 0.00 C ATOM 1410 C MET B 624 5.701 -4.903 -6.772 1.00 0.00 C ATOM 1411 O MET B 624 6.088 -4.269 -7.729 1.00 0.00 O ATOM 1412 CB MET B 624 7.505 -5.803 -5.305 1.00 0.00 C ATOM 1413 CG MET B 624 8.430 -5.464 -4.133 1.00 0.00 C ATOM 1414 SD MET B 624 9.389 -6.930 -3.676 1.00 0.00 S ATOM 1415 CE MET B 624 10.033 -7.309 -5.324 1.00 0.00 C ATOM 0 H MET B 624 5.513 -5.795 -3.768 1.00 0.00 H new ATOM 0 HA MET B 624 6.816 -3.751 -5.352 1.00 0.00 H new ATOM 0 HB2 MET B 624 7.069 -6.792 -5.161 1.00 0.00 H new ATOM 0 HB3 MET B 624 8.077 -5.838 -6.232 1.00 0.00 H new ATOM 0 HG2 MET B 624 9.100 -4.650 -4.409 1.00 0.00 H new ATOM 0 HG3 MET B 624 7.844 -5.120 -3.281 1.00 0.00 H new ATOM 0 HE1 MET B 624 10.944 -7.900 -5.232 1.00 0.00 H new ATOM 0 HE2 MET B 624 9.289 -7.875 -5.884 1.00 0.00 H new ATOM 0 HE3 MET B 624 10.255 -6.381 -5.850 1.00 0.00 H new ATOM 1425 N ALA B 625 4.666 -5.703 -6.872 1.00 0.00 N ATOM 1426 CA ALA B 625 3.956 -5.846 -8.190 1.00 0.00 C ATOM 1427 C ALA B 625 2.724 -4.951 -8.182 1.00 0.00 C ATOM 1428 O ALA B 625 2.203 -4.603 -9.223 1.00 0.00 O ATOM 1429 CB ALA B 625 3.573 -7.303 -8.458 1.00 0.00 C ATOM 0 H ALA B 625 4.283 -6.260 -6.108 1.00 0.00 H new ATOM 0 HA ALA B 625 4.625 -5.539 -8.994 1.00 0.00 H new ATOM 0 HB1 ALA B 625 3.061 -7.374 -9.418 1.00 0.00 H new ATOM 0 HB2 ALA B 625 4.473 -7.918 -8.480 1.00 0.00 H new ATOM 0 HB3 ALA B 625 2.911 -7.657 -7.667 1.00 0.00 H new ATOM 1435 N LYS B 626 2.300 -4.491 -7.043 1.00 0.00 N ATOM 1436 CA LYS B 626 1.166 -3.531 -7.040 1.00 0.00 C ATOM 1437 C LYS B 626 1.795 -2.179 -7.371 1.00 0.00 C ATOM 1438 O LYS B 626 1.133 -1.196 -7.635 1.00 0.00 O ATOM 1439 CB LYS B 626 0.508 -3.483 -5.655 1.00 0.00 C ATOM 1440 CG LYS B 626 -0.330 -4.754 -5.420 1.00 0.00 C ATOM 1441 CD LYS B 626 -1.732 -4.585 -6.021 1.00 0.00 C ATOM 1442 CE LYS B 626 -2.583 -5.809 -5.676 1.00 0.00 C ATOM 1443 NZ LYS B 626 -3.877 -5.739 -6.413 1.00 0.00 N ATOM 0 H LYS B 626 2.681 -4.732 -6.128 1.00 0.00 H new ATOM 0 HA LYS B 626 0.390 -3.812 -7.752 1.00 0.00 H new ATOM 0 HB2 LYS B 626 1.273 -3.395 -4.884 1.00 0.00 H new ATOM 0 HB3 LYS B 626 -0.127 -2.600 -5.576 1.00 0.00 H new ATOM 0 HG2 LYS B 626 0.166 -5.613 -5.871 1.00 0.00 H new ATOM 0 HG3 LYS B 626 -0.407 -4.955 -4.351 1.00 0.00 H new ATOM 0 HD2 LYS B 626 -2.200 -3.681 -5.631 1.00 0.00 H new ATOM 0 HD3 LYS B 626 -1.665 -4.468 -7.103 1.00 0.00 H new ATOM 0 HE2 LYS B 626 -2.050 -6.722 -5.941 1.00 0.00 H new ATOM 0 HE3 LYS B 626 -2.766 -5.847 -4.602 1.00 0.00 H new ATOM 0 HZ1 LYS B 626 -4.455 -6.571 -6.179 1.00 0.00 H new ATOM 0 HZ2 LYS B 626 -4.386 -4.875 -6.139 1.00 0.00 H new ATOM 0 HZ3 LYS B 626 -3.693 -5.723 -7.436 1.00 0.00 H new ATOM 1457 N ALA B 627 3.105 -2.163 -7.340 1.00 0.00 N ATOM 1458 CA ALA B 627 3.890 -0.931 -7.627 1.00 0.00 C ATOM 1459 C ALA B 627 3.435 -0.271 -8.928 1.00 0.00 C ATOM 1460 O ALA B 627 3.776 -0.705 -10.010 1.00 0.00 O ATOM 1461 CB ALA B 627 5.367 -1.308 -7.752 1.00 0.00 C ATOM 0 H ALA B 627 3.675 -2.980 -7.121 1.00 0.00 H new ATOM 0 HA ALA B 627 3.735 -0.224 -6.812 1.00 0.00 H new ATOM 0 HB1 ALA B 627 5.954 -0.414 -7.962 1.00 0.00 H new ATOM 0 HB2 ALA B 627 5.709 -1.755 -6.818 1.00 0.00 H new ATOM 0 HB3 ALA B 627 5.492 -2.024 -8.564 1.00 0.00 H new ATOM 1467 N LYS B 628 2.705 0.804 -8.828 1.00 0.00 N ATOM 1468 CA LYS B 628 2.272 1.525 -10.051 1.00 0.00 C ATOM 1469 C LYS B 628 3.457 2.375 -10.502 1.00 0.00 C ATOM 1470 O LYS B 628 3.645 3.496 -10.067 1.00 0.00 O ATOM 1471 CB LYS B 628 1.063 2.408 -9.737 1.00 0.00 C ATOM 1472 CG LYS B 628 0.534 3.035 -11.029 1.00 0.00 C ATOM 1473 CD LYS B 628 -0.494 4.117 -10.690 1.00 0.00 C ATOM 1474 CE LYS B 628 -1.682 3.494 -9.948 1.00 0.00 C ATOM 1475 NZ LYS B 628 -2.858 4.403 -10.047 1.00 0.00 N ATOM 0 H LYS B 628 2.390 1.214 -7.949 1.00 0.00 H new ATOM 0 HA LYS B 628 1.975 0.831 -10.837 1.00 0.00 H new ATOM 0 HB2 LYS B 628 0.281 1.815 -9.262 1.00 0.00 H new ATOM 0 HB3 LYS B 628 1.344 3.189 -9.031 1.00 0.00 H new ATOM 0 HG2 LYS B 628 1.357 3.466 -11.599 1.00 0.00 H new ATOM 0 HG3 LYS B 628 0.078 2.269 -11.657 1.00 0.00 H new ATOM 0 HD2 LYS B 628 -0.033 4.888 -10.073 1.00 0.00 H new ATOM 0 HD3 LYS B 628 -0.838 4.602 -11.603 1.00 0.00 H new ATOM 0 HE2 LYS B 628 -1.923 2.521 -10.377 1.00 0.00 H new ATOM 0 HE3 LYS B 628 -1.425 3.327 -8.902 1.00 0.00 H new ATOM 0 HZ1 LYS B 628 -3.665 3.982 -9.544 1.00 0.00 H new ATOM 0 HZ2 LYS B 628 -2.624 5.321 -9.619 1.00 0.00 H new ATOM 0 HZ3 LYS B 628 -3.107 4.541 -11.047 1.00 0.00 H new ATOM 1489 N CYS B 629 4.286 1.809 -11.327 1.00 0.00 N ATOM 1490 CA CYS B 629 5.516 2.513 -11.796 1.00 0.00 C ATOM 1491 C CYS B 629 5.198 3.868 -12.439 1.00 0.00 C ATOM 1492 O CYS B 629 4.264 4.024 -13.202 1.00 0.00 O ATOM 1493 CB CYS B 629 6.250 1.631 -12.806 1.00 0.00 C ATOM 1494 SG CYS B 629 7.047 0.259 -11.938 1.00 0.00 S ATOM 0 H CYS B 629 4.164 0.870 -11.706 1.00 0.00 H new ATOM 0 HA CYS B 629 6.143 2.700 -10.924 1.00 0.00 H new ATOM 0 HB2 CYS B 629 5.549 1.248 -13.548 1.00 0.00 H new ATOM 0 HB3 CYS B 629 6.995 2.217 -13.344 1.00 0.00 H new ATOM 1499 N SER B 630 6.024 4.837 -12.135 1.00 0.00 N ATOM 1500 CA SER B 630 5.879 6.210 -12.706 1.00 0.00 C ATOM 1501 C SER B 630 7.289 6.741 -12.984 1.00 0.00 C ATOM 1502 O SER B 630 8.256 6.214 -12.471 1.00 0.00 O ATOM 1503 CB SER B 630 5.157 7.119 -11.707 1.00 0.00 C ATOM 1504 OG SER B 630 4.636 8.248 -12.395 1.00 0.00 O ATOM 0 H SER B 630 6.813 4.730 -11.498 1.00 0.00 H new ATOM 0 HA SER B 630 5.292 6.187 -13.624 1.00 0.00 H new ATOM 0 HB2 SER B 630 4.351 6.573 -11.217 1.00 0.00 H new ATOM 0 HB3 SER B 630 5.846 7.440 -10.926 1.00 0.00 H new ATOM 0 HG SER B 630 4.171 8.832 -11.760 1.00 0.00 H new ATOM 1510 N GLU B 631 7.439 7.754 -13.793 1.00 0.00 N ATOM 1511 CA GLU B 631 8.813 8.258 -14.083 1.00 0.00 C ATOM 1512 C GLU B 631 9.421 8.901 -12.831 1.00 0.00 C ATOM 1513 O GLU B 631 10.622 8.896 -12.650 1.00 0.00 O ATOM 1514 CB GLU B 631 8.754 9.284 -15.217 1.00 0.00 C ATOM 1515 CG GLU B 631 10.172 9.636 -15.670 1.00 0.00 C ATOM 1516 CD GLU B 631 10.104 10.535 -16.905 1.00 0.00 C ATOM 1517 OE1 GLU B 631 9.389 10.185 -17.830 1.00 0.00 O ATOM 1518 OE2 GLU B 631 10.766 11.561 -16.904 1.00 0.00 O ATOM 0 H GLU B 631 6.680 8.250 -14.261 1.00 0.00 H new ATOM 0 HA GLU B 631 9.441 7.419 -14.384 1.00 0.00 H new ATOM 0 HB2 GLU B 631 8.184 8.882 -16.055 1.00 0.00 H new ATOM 0 HB3 GLU B 631 8.236 10.182 -14.881 1.00 0.00 H new ATOM 0 HG2 GLU B 631 10.706 10.143 -14.867 1.00 0.00 H new ATOM 0 HG3 GLU B 631 10.728 8.727 -15.899 1.00 0.00 H new ATOM 1525 N ARG B 632 8.617 9.443 -11.958 1.00 0.00 N ATOM 1526 CA ARG B 632 9.186 10.064 -10.727 1.00 0.00 C ATOM 1527 C ARG B 632 9.586 8.948 -9.756 1.00 0.00 C ATOM 1528 O ARG B 632 10.329 9.156 -8.816 1.00 0.00 O ATOM 1529 CB ARG B 632 8.133 10.961 -10.072 1.00 0.00 C ATOM 1530 CG ARG B 632 7.489 11.865 -11.129 1.00 0.00 C ATOM 1531 CD ARG B 632 8.552 12.776 -11.748 1.00 0.00 C ATOM 1532 NE ARG B 632 7.886 13.922 -12.429 1.00 0.00 N ATOM 1533 CZ ARG B 632 8.580 14.975 -12.765 1.00 0.00 C ATOM 1534 NH1 ARG B 632 9.860 15.020 -12.513 1.00 0.00 N ATOM 1535 NH2 ARG B 632 7.994 15.982 -13.353 1.00 0.00 N ATOM 0 H ARG B 632 7.601 9.483 -12.041 1.00 0.00 H new ATOM 0 HA ARG B 632 10.058 10.666 -10.982 1.00 0.00 H new ATOM 0 HB2 ARG B 632 7.370 10.349 -9.590 1.00 0.00 H new ATOM 0 HB3 ARG B 632 8.594 11.568 -9.293 1.00 0.00 H new ATOM 0 HG2 ARG B 632 7.021 11.258 -11.904 1.00 0.00 H new ATOM 0 HG3 ARG B 632 6.701 12.466 -10.676 1.00 0.00 H new ATOM 0 HD2 ARG B 632 9.228 13.141 -10.975 1.00 0.00 H new ATOM 0 HD3 ARG B 632 9.156 12.216 -12.462 1.00 0.00 H new ATOM 0 HE ARG B 632 6.887 13.883 -12.633 1.00 0.00 H new ATOM 0 HH11 ARG B 632 10.317 14.232 -12.054 1.00 0.00 H new ATOM 0 HH12 ARG B 632 10.403 15.843 -12.775 1.00 0.00 H new ATOM 0 HH21 ARG B 632 6.994 15.946 -13.550 1.00 0.00 H new ATOM 0 HH22 ARG B 632 8.536 16.805 -13.616 1.00 0.00 H new ATOM 1549 N GLY B 633 9.079 7.767 -9.985 1.00 0.00 N ATOM 1550 CA GLY B 633 9.392 6.607 -9.094 1.00 0.00 C ATOM 1551 C GLY B 633 8.122 5.779 -8.914 1.00 0.00 C ATOM 1552 O GLY B 633 7.093 6.089 -9.479 1.00 0.00 O ATOM 0 H GLY B 633 8.453 7.552 -10.761 1.00 0.00 H new ATOM 0 HA2 GLY B 633 10.183 5.997 -9.530 1.00 0.00 H new ATOM 0 HA3 GLY B 633 9.755 6.958 -8.128 1.00 0.00 H new ATOM 1556 N VAL B 634 8.163 4.728 -8.141 1.00 0.00 N ATOM 1557 CA VAL B 634 6.945 3.900 -7.946 1.00 0.00 C ATOM 1558 C VAL B 634 6.006 4.573 -6.951 1.00 0.00 C ATOM 1559 O VAL B 634 6.424 5.363 -6.128 1.00 0.00 O ATOM 1560 CB VAL B 634 7.368 2.551 -7.362 1.00 0.00 C ATOM 1561 CG1 VAL B 634 8.336 1.862 -8.322 1.00 0.00 C ATOM 1562 CG2 VAL B 634 8.059 2.773 -6.015 1.00 0.00 C ATOM 0 H VAL B 634 8.990 4.409 -7.636 1.00 0.00 H new ATOM 0 HA VAL B 634 6.436 3.776 -8.902 1.00 0.00 H new ATOM 0 HB VAL B 634 6.488 1.924 -7.221 1.00 0.00 H new ATOM 0 HG11 VAL B 634 8.638 0.901 -7.906 1.00 0.00 H new ATOM 0 HG12 VAL B 634 7.845 1.704 -9.282 1.00 0.00 H new ATOM 0 HG13 VAL B 634 9.216 2.489 -8.463 1.00 0.00 H new ATOM 0 HG21 VAL B 634 8.361 1.812 -5.598 1.00 0.00 H new ATOM 0 HG22 VAL B 634 8.940 3.400 -6.157 1.00 0.00 H new ATOM 0 HG23 VAL B 634 7.370 3.266 -5.329 1.00 0.00 H new ATOM 1572 N VAL B 635 4.746 4.243 -6.991 1.00 0.00 N ATOM 1573 CA VAL B 635 3.786 4.836 -6.014 1.00 0.00 C ATOM 1574 C VAL B 635 2.693 3.805 -5.729 1.00 0.00 C ATOM 1575 O VAL B 635 2.229 3.121 -6.619 1.00 0.00 O ATOM 1576 CB VAL B 635 3.176 6.128 -6.580 1.00 0.00 C ATOM 1577 CG1 VAL B 635 4.144 7.295 -6.361 1.00 0.00 C ATOM 1578 CG2 VAL B 635 2.915 5.967 -8.079 1.00 0.00 C ATOM 0 H VAL B 635 4.337 3.588 -7.658 1.00 0.00 H new ATOM 0 HA VAL B 635 4.304 5.091 -5.089 1.00 0.00 H new ATOM 0 HB VAL B 635 2.236 6.330 -6.067 1.00 0.00 H new ATOM 0 HG11 VAL B 635 3.708 8.210 -6.764 1.00 0.00 H new ATOM 0 HG12 VAL B 635 4.328 7.420 -5.294 1.00 0.00 H new ATOM 0 HG13 VAL B 635 5.085 7.087 -6.870 1.00 0.00 H new ATOM 0 HG21 VAL B 635 2.483 6.886 -8.474 1.00 0.00 H new ATOM 0 HG22 VAL B 635 3.854 5.758 -8.591 1.00 0.00 H new ATOM 0 HG23 VAL B 635 2.222 5.141 -8.241 1.00 0.00 H new ATOM 1588 N ILE B 636 2.288 3.682 -4.487 1.00 0.00 N ATOM 1589 CA ILE B 636 1.232 2.684 -4.119 1.00 0.00 C ATOM 1590 C ILE B 636 0.136 3.376 -3.309 1.00 0.00 C ATOM 1591 O ILE B 636 0.398 4.261 -2.520 1.00 0.00 O ATOM 1592 CB ILE B 636 1.849 1.576 -3.262 1.00 0.00 C ATOM 1593 CG1 ILE B 636 3.046 0.962 -3.996 1.00 0.00 C ATOM 1594 CG2 ILE B 636 0.801 0.491 -3.004 1.00 0.00 C ATOM 1595 CD1 ILE B 636 3.811 0.040 -3.044 1.00 0.00 C ATOM 0 H ILE B 636 2.646 4.234 -3.707 1.00 0.00 H new ATOM 0 HA ILE B 636 0.811 2.258 -5.030 1.00 0.00 H new ATOM 0 HB ILE B 636 2.183 1.996 -2.314 1.00 0.00 H new ATOM 0 HG12 ILE B 636 2.704 0.401 -4.866 1.00 0.00 H new ATOM 0 HG13 ILE B 636 3.704 1.750 -4.363 1.00 0.00 H new ATOM 0 HG21 ILE B 636 1.238 -0.299 -2.394 1.00 0.00 H new ATOM 0 HG22 ILE B 636 -0.051 0.925 -2.480 1.00 0.00 H new ATOM 0 HG23 ILE B 636 0.468 0.073 -3.954 1.00 0.00 H new ATOM 0 HD11 ILE B 636 4.662 -0.397 -3.566 1.00 0.00 H new ATOM 0 HD12 ILE B 636 4.166 0.614 -2.188 1.00 0.00 H new ATOM 0 HD13 ILE B 636 3.150 -0.755 -2.699 1.00 0.00 H new ATOM 1607 N ASN B 637 -1.090 2.969 -3.488 1.00 0.00 N ATOM 1608 CA ASN B 637 -2.202 3.593 -2.720 1.00 0.00 C ATOM 1609 C ASN B 637 -2.300 2.915 -1.355 1.00 0.00 C ATOM 1610 O ASN B 637 -2.226 1.708 -1.240 1.00 0.00 O ATOM 1611 CB ASN B 637 -3.514 3.411 -3.484 1.00 0.00 C ATOM 1612 CG ASN B 637 -4.600 4.288 -2.858 1.00 0.00 C ATOM 1613 OD1 ASN B 637 -5.531 3.787 -2.260 1.00 0.00 O ATOM 1614 ND2 ASN B 637 -4.520 5.586 -2.973 1.00 0.00 N ATOM 0 H ASN B 637 -1.369 2.231 -4.134 1.00 0.00 H new ATOM 0 HA ASN B 637 -2.012 4.658 -2.588 1.00 0.00 H new ATOM 0 HB2 ASN B 637 -3.376 3.678 -4.532 1.00 0.00 H new ATOM 0 HB3 ASN B 637 -3.819 2.365 -3.459 1.00 0.00 H new ATOM 0 HD21 ASN B 637 -5.239 6.180 -2.561 1.00 0.00 H new ATOM 0 HD22 ASN B 637 -3.738 6.006 -3.475 1.00 0.00 H new ATOM 1621 N ALA B 638 -2.460 3.686 -0.318 1.00 0.00 N ATOM 1622 CA ALA B 638 -2.556 3.096 1.044 1.00 0.00 C ATOM 1623 C ALA B 638 -3.577 1.951 1.048 1.00 0.00 C ATOM 1624 O ALA B 638 -3.694 1.216 2.007 1.00 0.00 O ATOM 1625 CB ALA B 638 -2.991 4.170 2.043 1.00 0.00 C ATOM 0 H ALA B 638 -2.529 4.703 -0.355 1.00 0.00 H new ATOM 0 HA ALA B 638 -1.579 2.707 1.331 1.00 0.00 H new ATOM 0 HB1 ALA B 638 -3.060 3.734 3.039 1.00 0.00 H new ATOM 0 HB2 ALA B 638 -2.259 4.978 2.051 1.00 0.00 H new ATOM 0 HB3 ALA B 638 -3.964 4.565 1.752 1.00 0.00 H new ATOM 1631 N GLU B 639 -4.335 1.810 -0.008 1.00 0.00 N ATOM 1632 CA GLU B 639 -5.369 0.733 -0.053 1.00 0.00 C ATOM 1633 C GLU B 639 -4.759 -0.612 -0.478 1.00 0.00 C ATOM 1634 O GLU B 639 -5.255 -1.655 -0.101 1.00 0.00 O ATOM 1635 CB GLU B 639 -6.471 1.137 -1.037 1.00 0.00 C ATOM 1636 CG GLU B 639 -7.658 0.175 -0.925 1.00 0.00 C ATOM 1637 CD GLU B 639 -7.330 -1.139 -1.639 1.00 0.00 C ATOM 1638 OE1 GLU B 639 -7.013 -1.088 -2.815 1.00 0.00 O ATOM 1639 OE2 GLU B 639 -7.399 -2.173 -0.995 1.00 0.00 O ATOM 0 H GLU B 639 -4.283 2.395 -0.842 1.00 0.00 H new ATOM 0 HA GLU B 639 -5.785 0.610 0.947 1.00 0.00 H new ATOM 0 HB2 GLU B 639 -6.798 2.156 -0.830 1.00 0.00 H new ATOM 0 HB3 GLU B 639 -6.081 1.128 -2.055 1.00 0.00 H new ATOM 0 HG2 GLU B 639 -7.884 -0.017 0.124 1.00 0.00 H new ATOM 0 HG3 GLU B 639 -8.547 0.627 -1.365 1.00 0.00 H new ATOM 1646 N ASP B 640 -3.685 -0.634 -1.222 1.00 0.00 N ATOM 1647 CA ASP B 640 -3.103 -1.962 -1.595 1.00 0.00 C ATOM 1648 C ASP B 640 -2.327 -2.488 -0.387 1.00 0.00 C ATOM 1649 O ASP B 640 -2.508 -3.612 0.037 1.00 0.00 O ATOM 1650 CB ASP B 640 -2.185 -1.829 -2.812 1.00 0.00 C ATOM 1651 CG ASP B 640 -2.939 -1.136 -3.948 1.00 0.00 C ATOM 1652 OD1 ASP B 640 -3.818 -1.763 -4.517 1.00 0.00 O ATOM 1653 OD2 ASP B 640 -2.626 0.008 -4.230 1.00 0.00 O ATOM 0 H ASP B 640 -3.194 0.185 -1.581 1.00 0.00 H new ATOM 0 HA ASP B 640 -3.897 -2.658 -1.864 1.00 0.00 H new ATOM 0 HB2 ASP B 640 -1.296 -1.256 -2.549 1.00 0.00 H new ATOM 0 HB3 ASP B 640 -1.846 -2.814 -3.134 1.00 0.00 H new ATOM 1658 N VAL B 641 -1.505 -1.671 0.199 1.00 0.00 N ATOM 1659 CA VAL B 641 -0.764 -2.103 1.414 1.00 0.00 C ATOM 1660 C VAL B 641 -1.779 -2.521 2.485 1.00 0.00 C ATOM 1661 O VAL B 641 -1.686 -3.598 3.041 1.00 0.00 O ATOM 1662 CB VAL B 641 0.104 -0.948 1.930 1.00 0.00 C ATOM 1663 CG1 VAL B 641 -0.747 0.303 2.138 1.00 0.00 C ATOM 1664 CG2 VAL B 641 0.755 -1.349 3.255 1.00 0.00 C ATOM 0 H VAL B 641 -1.312 -0.718 -0.111 1.00 0.00 H new ATOM 0 HA VAL B 641 -0.114 -2.945 1.176 1.00 0.00 H new ATOM 0 HB VAL B 641 0.877 -0.731 1.192 1.00 0.00 H new ATOM 0 HG11 VAL B 641 -0.118 1.114 2.504 1.00 0.00 H new ATOM 0 HG12 VAL B 641 -1.202 0.595 1.191 1.00 0.00 H new ATOM 0 HG13 VAL B 641 -1.530 0.093 2.867 1.00 0.00 H new ATOM 0 HG21 VAL B 641 1.371 -0.528 3.621 1.00 0.00 H new ATOM 0 HG22 VAL B 641 -0.020 -1.575 3.987 1.00 0.00 H new ATOM 0 HG23 VAL B 641 1.378 -2.230 3.102 1.00 0.00 H new ATOM 1674 N GLN B 642 -2.748 -1.696 2.782 1.00 0.00 N ATOM 1675 CA GLN B 642 -3.755 -2.082 3.819 1.00 0.00 C ATOM 1676 C GLN B 642 -4.256 -3.504 3.534 1.00 0.00 C ATOM 1677 O GLN B 642 -4.539 -4.265 4.438 1.00 0.00 O ATOM 1678 CB GLN B 642 -4.931 -1.098 3.792 1.00 0.00 C ATOM 1679 CG GLN B 642 -4.549 0.186 4.536 1.00 0.00 C ATOM 1680 CD GLN B 642 -5.544 1.294 4.187 1.00 0.00 C ATOM 1681 OE1 GLN B 642 -5.157 2.421 3.949 1.00 0.00 O ATOM 1682 NE2 GLN B 642 -6.819 1.020 4.148 1.00 0.00 N ATOM 0 H GLN B 642 -2.887 -0.779 2.357 1.00 0.00 H new ATOM 0 HA GLN B 642 -3.292 -2.052 4.806 1.00 0.00 H new ATOM 0 HB2 GLN B 642 -5.200 -0.866 2.761 1.00 0.00 H new ATOM 0 HB3 GLN B 642 -5.807 -1.551 4.256 1.00 0.00 H new ATOM 0 HG2 GLN B 642 -4.548 0.009 5.612 1.00 0.00 H new ATOM 0 HG3 GLN B 642 -3.539 0.491 4.262 1.00 0.00 H new ATOM 0 HE21 GLN B 642 -7.144 0.074 4.348 1.00 0.00 H new ATOM 0 HE22 GLN B 642 -7.491 1.752 3.918 1.00 0.00 H new ATOM 1691 N LEU B 643 -4.346 -3.872 2.286 1.00 0.00 N ATOM 1692 CA LEU B 643 -4.804 -5.251 1.939 1.00 0.00 C ATOM 1693 C LEU B 643 -3.637 -6.237 2.120 1.00 0.00 C ATOM 1694 O LEU B 643 -3.854 -7.407 2.353 1.00 0.00 O ATOM 1695 CB LEU B 643 -5.304 -5.274 0.478 1.00 0.00 C ATOM 1696 CG LEU B 643 -6.826 -5.012 0.405 1.00 0.00 C ATOM 1697 CD1 LEU B 643 -7.615 -6.262 0.830 1.00 0.00 C ATOM 1698 CD2 LEU B 643 -7.209 -3.825 1.309 1.00 0.00 C ATOM 0 H LEU B 643 -4.122 -3.277 1.488 1.00 0.00 H new ATOM 0 HA LEU B 643 -5.622 -5.546 2.597 1.00 0.00 H new ATOM 0 HB2 LEU B 643 -4.774 -4.519 -0.103 1.00 0.00 H new ATOM 0 HB3 LEU B 643 -5.076 -6.240 0.028 1.00 0.00 H new ATOM 0 HG LEU B 643 -7.079 -4.772 -0.628 1.00 0.00 H new ATOM 0 HD11 LEU B 643 -8.684 -6.055 0.771 1.00 0.00 H new ATOM 0 HD12 LEU B 643 -7.369 -7.091 0.166 1.00 0.00 H new ATOM 0 HD13 LEU B 643 -7.353 -6.527 1.854 1.00 0.00 H new ATOM 0 HD21 LEU B 643 -8.283 -3.652 1.247 1.00 0.00 H new ATOM 0 HD22 LEU B 643 -6.936 -4.050 2.340 1.00 0.00 H new ATOM 0 HD23 LEU B 643 -6.679 -2.931 0.980 1.00 0.00 H new ATOM 1710 N ALA B 644 -2.411 -5.792 2.039 1.00 0.00 N ATOM 1711 CA ALA B 644 -1.266 -6.740 2.237 1.00 0.00 C ATOM 1712 C ALA B 644 -0.942 -6.856 3.727 1.00 0.00 C ATOM 1713 O ALA B 644 -0.578 -7.914 4.202 1.00 0.00 O ATOM 1714 CB ALA B 644 -0.030 -6.249 1.488 1.00 0.00 C ATOM 0 H ALA B 644 -2.150 -4.825 1.847 1.00 0.00 H new ATOM 0 HA ALA B 644 -1.553 -7.716 1.846 1.00 0.00 H new ATOM 0 HB1 ALA B 644 0.791 -6.949 1.643 1.00 0.00 H new ATOM 0 HB2 ALA B 644 -0.253 -6.181 0.423 1.00 0.00 H new ATOM 0 HB3 ALA B 644 0.256 -5.266 1.862 1.00 0.00 H new ATOM 1720 N LEU B 645 -1.068 -5.799 4.475 1.00 0.00 N ATOM 1721 CA LEU B 645 -0.761 -5.899 5.929 1.00 0.00 C ATOM 1722 C LEU B 645 -1.915 -6.611 6.637 1.00 0.00 C ATOM 1723 O LEU B 645 -1.749 -7.182 7.697 1.00 0.00 O ATOM 1724 CB LEU B 645 -0.583 -4.497 6.520 1.00 0.00 C ATOM 1725 CG LEU B 645 0.527 -3.748 5.770 1.00 0.00 C ATOM 1726 CD1 LEU B 645 0.676 -2.348 6.375 1.00 0.00 C ATOM 1727 CD2 LEU B 645 1.859 -4.508 5.896 1.00 0.00 C ATOM 0 H LEU B 645 -1.367 -4.880 4.150 1.00 0.00 H new ATOM 0 HA LEU B 645 0.161 -6.463 6.068 1.00 0.00 H new ATOM 0 HB2 LEU B 645 -1.519 -3.942 6.450 1.00 0.00 H new ATOM 0 HB3 LEU B 645 -0.333 -4.569 7.579 1.00 0.00 H new ATOM 0 HG LEU B 645 0.265 -3.673 4.715 1.00 0.00 H new ATOM 0 HD11 LEU B 645 1.463 -1.806 5.850 1.00 0.00 H new ATOM 0 HD12 LEU B 645 -0.265 -1.807 6.277 1.00 0.00 H new ATOM 0 HD13 LEU B 645 0.937 -2.433 7.430 1.00 0.00 H new ATOM 0 HD21 LEU B 645 2.639 -3.967 5.360 1.00 0.00 H new ATOM 0 HD22 LEU B 645 2.132 -4.591 6.948 1.00 0.00 H new ATOM 0 HD23 LEU B 645 1.751 -5.505 5.470 1.00 0.00 H new ATOM 1739 N ASN B 646 -3.088 -6.576 6.059 1.00 0.00 N ATOM 1740 CA ASN B 646 -4.264 -7.246 6.692 1.00 0.00 C ATOM 1741 C ASN B 646 -4.417 -8.667 6.142 1.00 0.00 C ATOM 1742 O ASN B 646 -5.180 -9.460 6.659 1.00 0.00 O ATOM 1743 CB ASN B 646 -5.528 -6.445 6.371 1.00 0.00 C ATOM 1744 CG ASN B 646 -5.426 -5.054 6.999 1.00 0.00 C ATOM 1745 OD1 ASN B 646 -6.377 -4.566 7.578 1.00 0.00 O ATOM 1746 ND2 ASN B 646 -4.306 -4.390 6.910 1.00 0.00 N ATOM 0 H ASN B 646 -3.283 -6.111 5.173 1.00 0.00 H new ATOM 0 HA ASN B 646 -4.113 -7.294 7.770 1.00 0.00 H new ATOM 0 HB2 ASN B 646 -5.652 -6.360 5.292 1.00 0.00 H new ATOM 0 HB3 ASN B 646 -6.407 -6.964 6.753 1.00 0.00 H new ATOM 0 HD21 ASN B 646 -4.229 -3.462 7.326 1.00 0.00 H new ATOM 0 HD22 ASN B 646 -3.508 -4.799 6.424 1.00 0.00 H new ATOM 1753 N LYS B 647 -3.716 -8.996 5.089 1.00 0.00 N ATOM 1754 CA LYS B 647 -3.848 -10.366 4.509 1.00 0.00 C ATOM 1755 C LYS B 647 -3.280 -11.412 5.469 1.00 0.00 C ATOM 1756 O LYS B 647 -4.011 -12.085 6.169 1.00 0.00 O ATOM 1757 CB LYS B 647 -3.090 -10.449 3.180 1.00 0.00 C ATOM 1758 CG LYS B 647 -3.304 -11.838 2.566 1.00 0.00 C ATOM 1759 CD LYS B 647 -2.709 -11.885 1.153 1.00 0.00 C ATOM 1760 CE LYS B 647 -1.182 -11.989 1.224 1.00 0.00 C ATOM 1761 NZ LYS B 647 -0.649 -12.341 -0.123 1.00 0.00 N ATOM 0 H LYS B 647 -3.061 -8.380 4.607 1.00 0.00 H new ATOM 0 HA LYS B 647 -4.907 -10.565 4.344 1.00 0.00 H new ATOM 0 HB2 LYS B 647 -3.444 -9.677 2.496 1.00 0.00 H new ATOM 0 HB3 LYS B 647 -2.027 -10.269 3.341 1.00 0.00 H new ATOM 0 HG2 LYS B 647 -2.836 -12.597 3.192 1.00 0.00 H new ATOM 0 HG3 LYS B 647 -4.369 -12.068 2.529 1.00 0.00 H new ATOM 0 HD2 LYS B 647 -3.114 -12.738 0.608 1.00 0.00 H new ATOM 0 HD3 LYS B 647 -2.994 -10.990 0.601 1.00 0.00 H new ATOM 0 HE2 LYS B 647 -0.757 -11.043 1.560 1.00 0.00 H new ATOM 0 HE3 LYS B 647 -0.891 -12.746 1.952 1.00 0.00 H new ATOM 0 HZ1 LYS B 647 0.368 -12.545 -0.051 1.00 0.00 H new ATOM 0 HZ2 LYS B 647 -1.146 -13.180 -0.485 1.00 0.00 H new ATOM 0 HZ3 LYS B 647 -0.797 -11.544 -0.774 1.00 0.00 H new ATOM 1775 N HIS B 648 -1.984 -11.574 5.491 1.00 0.00 N ATOM 1776 CA HIS B 648 -1.386 -12.602 6.389 1.00 0.00 C ATOM 1777 C HIS B 648 -1.422 -12.114 7.842 1.00 0.00 C ATOM 1778 O HIS B 648 -0.524 -12.375 8.618 1.00 0.00 O ATOM 1779 CB HIS B 648 0.063 -12.880 5.962 1.00 0.00 C ATOM 1780 CG HIS B 648 0.729 -11.610 5.505 1.00 0.00 C ATOM 1781 ND1 HIS B 648 1.903 -11.631 4.771 1.00 0.00 N ATOM 1782 CD2 HIS B 648 0.417 -10.279 5.671 1.00 0.00 C ATOM 1783 CE1 HIS B 648 2.254 -10.358 4.527 1.00 0.00 C ATOM 1784 NE2 HIS B 648 1.384 -9.493 5.052 1.00 0.00 N ATOM 0 H HIS B 648 -1.318 -11.043 4.930 1.00 0.00 H new ATOM 0 HA HIS B 648 -1.964 -13.523 6.314 1.00 0.00 H new ATOM 0 HB2 HIS B 648 0.618 -13.309 6.796 1.00 0.00 H new ATOM 0 HB3 HIS B 648 0.077 -13.615 5.157 1.00 0.00 H new ATOM 0 HD2 HIS B 648 -0.446 -9.903 6.200 1.00 0.00 H new ATOM 0 HE1 HIS B 648 3.135 -10.069 3.973 1.00 0.00 H new ATOM 0 HE2 HIS B 648 1.420 -8.475 5.009 1.00 0.00 H new ATOM 1792 N MET B 649 -2.452 -11.406 8.220 1.00 0.00 N ATOM 1793 CA MET B 649 -2.543 -10.901 9.624 1.00 0.00 C ATOM 1794 C MET B 649 -3.326 -11.901 10.477 1.00 0.00 C ATOM 1795 O MET B 649 -4.352 -12.408 10.072 1.00 0.00 O ATOM 1796 CB MET B 649 -3.260 -9.548 9.630 1.00 0.00 C ATOM 1797 CG MET B 649 -3.008 -8.836 10.959 1.00 0.00 C ATOM 1798 SD MET B 649 -1.299 -8.232 11.004 1.00 0.00 S ATOM 1799 CE MET B 649 -1.627 -6.641 11.805 1.00 0.00 C ATOM 0 H MET B 649 -3.236 -11.154 7.618 1.00 0.00 H new ATOM 0 HA MET B 649 -1.541 -10.783 10.036 1.00 0.00 H new ATOM 0 HB2 MET B 649 -2.903 -8.933 8.804 1.00 0.00 H new ATOM 0 HB3 MET B 649 -4.330 -9.692 9.481 1.00 0.00 H new ATOM 0 HG2 MET B 649 -3.703 -8.004 11.076 1.00 0.00 H new ATOM 0 HG3 MET B 649 -3.186 -9.519 11.790 1.00 0.00 H new ATOM 0 HE1 MET B 649 -0.707 -6.260 12.248 1.00 0.00 H new ATOM 0 HE2 MET B 649 -1.995 -5.930 11.065 1.00 0.00 H new ATOM 0 HE3 MET B 649 -2.377 -6.774 12.585 1.00 0.00 H new ATOM 1809 N ASN B 650 -2.847 -12.188 11.658 1.00 0.00 N ATOM 1810 CA ASN B 650 -3.562 -13.154 12.538 1.00 0.00 C ATOM 1811 C ASN B 650 -3.769 -14.472 11.788 1.00 0.00 C ATOM 1812 O ASN B 650 -4.804 -14.616 11.159 1.00 0.00 O ATOM 1813 CB ASN B 650 -4.921 -12.573 12.933 1.00 0.00 C ATOM 1814 CG ASN B 650 -5.532 -13.416 14.053 1.00 0.00 C ATOM 1815 OD1 ASN B 650 -4.859 -14.229 14.654 1.00 0.00 O ATOM 1816 ND2 ASN B 650 -6.790 -13.256 14.360 1.00 0.00 N ATOM 1817 OXT ASN B 650 -2.887 -15.313 11.855 1.00 0.00 O ATOM 0 H ASN B 650 -1.992 -11.795 12.050 1.00 0.00 H new ATOM 0 HA ASN B 650 -2.970 -13.336 13.435 1.00 0.00 H new ATOM 0 HB2 ASN B 650 -4.805 -11.541 13.263 1.00 0.00 H new ATOM 0 HB3 ASN B 650 -5.587 -12.559 12.070 1.00 0.00 H new ATOM 0 HD21 ASN B 650 -7.208 -13.814 15.105 1.00 0.00 H new ATOM 0 HD22 ASN B 650 -7.355 -12.573 13.855 1.00 0.00 H new