USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=11 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 -153:sc= -0.437 (180deg=-0.646) USER MOD Single : A 307 ASN : amide:sc= -0.0193 K(o=-0.019,f=-0.76) USER MOD Single : A 308 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.32) 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 -53:sc= 0.622 USER MOD Single : B 620 CYS SG : rot 180:sc= 0 USER MOD Single : B 621 SER OG : rot 180:sc= 0 USER MOD Single : B 624 MET CE :methyl 172:sc= -0.108 (180deg=-0.259) USER MOD Single : B 626 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 628 LYS NZ :NH3+ 147:sc= -0.144 (180deg=-1.02) USER MOD Single : B 630 SER OG : rot 26:sc= 1.1 USER MOD Single : B 637 ASN : amide:sc= -0.0118 K(o=-0.012,f=-1.8) USER MOD Single : B 642 GLN : amide:sc= -0.234 K(o=-0.23,f=-0.81) USER MOD Single : B 646 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.18) USER MOD Single : B 647 LYS NZ :NH3+ 148:sc= -0.797 (180deg=-2.75!) USER MOD Single : B 648 HIS : no HD1:sc= -0.123 K(o=-0.12,f=-1.4) USER MOD Single : B 649 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 650 ASN : amide:sc= -1.69 K(o=-1.7,f=-0.079) USER MOD ----------------------------------------------------------------- ATOM 338 N GLU A 301 18.707 -2.462 -1.473 1.00 0.00 N ATOM 339 CA GLU A 301 18.200 -3.659 -2.204 1.00 0.00 C ATOM 340 C GLU A 301 16.688 -3.754 -2.029 1.00 0.00 C ATOM 341 O GLU A 301 15.975 -4.221 -2.892 1.00 0.00 O ATOM 342 CB GLU A 301 18.845 -4.917 -1.617 1.00 0.00 C ATOM 343 CG GLU A 301 18.655 -4.932 -0.098 1.00 0.00 C ATOM 344 CD GLU A 301 19.342 -6.165 0.491 1.00 0.00 C ATOM 345 OE1 GLU A 301 19.057 -7.256 0.025 1.00 0.00 O ATOM 346 OE2 GLU A 301 20.140 -5.999 1.399 1.00 0.00 O ATOM 0 HA GLU A 301 18.446 -3.572 -3.262 1.00 0.00 H new ATOM 0 HB2 GLU A 301 18.397 -5.807 -2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 301 19.907 -4.941 -1.861 1.00 0.00 H new ATOM 0 HG2 GLU A 301 19.073 -4.026 0.340 1.00 0.00 H new ATOM 0 HG3 GLU A 301 17.593 -4.943 0.146 1.00 0.00 H new ATOM 353 N PHE A 302 16.193 -3.314 -0.908 1.00 0.00 N ATOM 354 CA PHE A 302 14.731 -3.380 -0.669 1.00 0.00 C ATOM 355 C PHE A 302 14.009 -2.468 -1.663 1.00 0.00 C ATOM 356 O PHE A 302 13.169 -2.903 -2.429 1.00 0.00 O ATOM 357 CB PHE A 302 14.428 -2.925 0.762 1.00 0.00 C ATOM 358 CG PHE A 302 12.956 -3.123 1.060 1.00 0.00 C ATOM 359 CD1 PHE A 302 12.418 -4.417 1.094 1.00 0.00 C ATOM 360 CD2 PHE A 302 12.131 -2.017 1.307 1.00 0.00 C ATOM 361 CE1 PHE A 302 11.058 -4.603 1.373 1.00 0.00 C ATOM 362 CE2 PHE A 302 10.772 -2.204 1.585 1.00 0.00 C ATOM 363 CZ PHE A 302 10.235 -3.497 1.618 1.00 0.00 C ATOM 0 H PHE A 302 16.740 -2.911 -0.147 1.00 0.00 H new ATOM 0 HA PHE A 302 14.385 -4.405 -0.804 1.00 0.00 H new ATOM 0 HB2 PHE A 302 15.032 -3.493 1.470 1.00 0.00 H new ATOM 0 HB3 PHE A 302 14.696 -1.876 0.885 1.00 0.00 H new ATOM 0 HD1 PHE A 302 13.052 -5.271 0.905 1.00 0.00 H new ATOM 0 HD2 PHE A 302 12.544 -1.020 1.283 1.00 0.00 H new ATOM 0 HE1 PHE A 302 10.644 -5.600 1.399 1.00 0.00 H new ATOM 0 HE2 PHE A 302 10.137 -1.351 1.774 1.00 0.00 H new ATOM 0 HZ PHE A 302 9.186 -3.641 1.832 1.00 0.00 H new ATOM 373 N CYS A 303 14.327 -1.204 -1.652 1.00 0.00 N ATOM 374 CA CYS A 303 13.659 -0.250 -2.583 1.00 0.00 C ATOM 375 C CYS A 303 14.361 -0.253 -3.945 1.00 0.00 C ATOM 376 O CYS A 303 13.725 -0.240 -4.980 1.00 0.00 O ATOM 377 CB CYS A 303 13.734 1.153 -1.985 1.00 0.00 C ATOM 378 SG CYS A 303 12.999 1.141 -0.331 1.00 0.00 S ATOM 0 H CYS A 303 15.025 -0.788 -1.035 1.00 0.00 H new ATOM 0 HA CYS A 303 12.621 -0.551 -2.721 1.00 0.00 H new ATOM 0 HB2 CYS A 303 14.772 1.483 -1.932 1.00 0.00 H new ATOM 0 HB3 CYS A 303 13.207 1.861 -2.624 1.00 0.00 H new ATOM 383 N SER A 304 15.665 -0.259 -3.953 1.00 0.00 N ATOM 384 CA SER A 304 16.408 -0.249 -5.246 1.00 0.00 C ATOM 385 C SER A 304 15.934 -1.404 -6.131 1.00 0.00 C ATOM 386 O SER A 304 15.991 -1.330 -7.347 1.00 0.00 O ATOM 387 CB SER A 304 17.905 -0.398 -4.972 1.00 0.00 C ATOM 388 OG SER A 304 18.603 -0.465 -6.209 1.00 0.00 O ATOM 0 H SER A 304 16.250 -0.270 -3.118 1.00 0.00 H new ATOM 0 HA SER A 304 16.220 0.694 -5.760 1.00 0.00 H new ATOM 0 HB2 SER A 304 18.265 0.446 -4.383 1.00 0.00 H new ATOM 0 HB3 SER A 304 18.092 -1.298 -4.386 1.00 0.00 H new ATOM 0 HG SER A 304 19.563 -0.559 -6.038 1.00 0.00 H new ATOM 394 N LYS A 305 15.414 -2.454 -5.537 1.00 0.00 N ATOM 395 CA LYS A 305 14.897 -3.597 -6.360 1.00 0.00 C ATOM 396 C LYS A 305 13.384 -3.402 -6.499 1.00 0.00 C ATOM 397 O LYS A 305 12.759 -3.841 -7.455 1.00 0.00 O ATOM 398 CB LYS A 305 15.252 -4.939 -5.689 1.00 0.00 C ATOM 399 CG LYS A 305 15.439 -6.064 -6.728 1.00 0.00 C ATOM 400 CD LYS A 305 14.085 -6.655 -7.146 1.00 0.00 C ATOM 401 CE LYS A 305 14.308 -7.996 -7.847 1.00 0.00 C ATOM 402 NZ LYS A 305 13.004 -8.518 -8.345 1.00 0.00 N ATOM 0 H LYS A 305 15.325 -2.569 -4.527 1.00 0.00 H new ATOM 0 HA LYS A 305 15.354 -3.618 -7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 305 16.167 -4.825 -5.108 1.00 0.00 H new ATOM 0 HB3 LYS A 305 14.463 -5.216 -4.990 1.00 0.00 H new ATOM 0 HG2 LYS A 305 15.956 -5.673 -7.604 1.00 0.00 H new ATOM 0 HG3 LYS A 305 16.070 -6.849 -6.310 1.00 0.00 H new ATOM 0 HD2 LYS A 305 13.450 -6.791 -6.271 1.00 0.00 H new ATOM 0 HD3 LYS A 305 13.566 -5.966 -7.812 1.00 0.00 H new ATOM 0 HE2 LYS A 305 15.004 -7.874 -8.677 1.00 0.00 H new ATOM 0 HE3 LYS A 305 14.758 -8.709 -7.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 305 13.154 -9.430 -8.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 305 12.354 -8.649 -7.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 305 12.592 -7.840 -9.017 1.00 0.00 H new ATOM 416 N MET A 306 12.798 -2.663 -5.602 1.00 0.00 N ATOM 417 CA MET A 306 11.354 -2.379 -5.738 1.00 0.00 C ATOM 418 C MET A 306 11.197 -1.436 -6.923 1.00 0.00 C ATOM 419 O MET A 306 10.137 -1.328 -7.505 1.00 0.00 O ATOM 420 CB MET A 306 10.818 -1.720 -4.461 1.00 0.00 C ATOM 421 CG MET A 306 9.294 -1.842 -4.422 1.00 0.00 C ATOM 422 SD MET A 306 8.671 -1.129 -2.879 1.00 0.00 S ATOM 423 CE MET A 306 6.991 -1.793 -2.985 1.00 0.00 C ATOM 0 H MET A 306 13.255 -2.249 -4.790 1.00 0.00 H new ATOM 0 HA MET A 306 10.791 -3.299 -5.895 1.00 0.00 H new ATOM 0 HB2 MET A 306 11.254 -2.197 -3.583 1.00 0.00 H new ATOM 0 HB3 MET A 306 11.110 -0.670 -4.431 1.00 0.00 H new ATOM 0 HG2 MET A 306 8.855 -1.327 -5.276 1.00 0.00 H new ATOM 0 HG3 MET A 306 9.000 -2.889 -4.496 1.00 0.00 H new ATOM 0 HE1 MET A 306 6.307 -1.139 -2.444 1.00 0.00 H new ATOM 0 HE2 MET A 306 6.688 -1.851 -4.030 1.00 0.00 H new ATOM 0 HE3 MET A 306 6.965 -2.789 -2.544 1.00 0.00 H new ATOM 433 N ASN A 307 12.263 -0.765 -7.311 1.00 0.00 N ATOM 434 CA ASN A 307 12.169 0.142 -8.489 1.00 0.00 C ATOM 435 C ASN A 307 12.342 -0.743 -9.718 1.00 0.00 C ATOM 436 O ASN A 307 11.693 -0.568 -10.726 1.00 0.00 O ATOM 437 CB ASN A 307 13.269 1.205 -8.436 1.00 0.00 C ATOM 438 CG ASN A 307 13.032 2.130 -7.241 1.00 0.00 C ATOM 439 OD1 ASN A 307 11.913 2.523 -6.974 1.00 0.00 O ATOM 440 ND2 ASN A 307 14.045 2.497 -6.506 1.00 0.00 N ATOM 0 H ASN A 307 13.179 -0.810 -6.864 1.00 0.00 H new ATOM 0 HA ASN A 307 11.215 0.669 -8.509 1.00 0.00 H new ATOM 0 HB2 ASN A 307 14.246 0.728 -8.352 1.00 0.00 H new ATOM 0 HB3 ASN A 307 13.275 1.783 -9.360 1.00 0.00 H new ATOM 0 HD21 ASN A 307 13.898 3.114 -5.707 1.00 0.00 H new ATOM 0 HD22 ASN A 307 14.984 2.167 -6.730 1.00 0.00 H new ATOM 447 N GLN A 308 13.231 -1.717 -9.599 1.00 0.00 N ATOM 448 CA GLN A 308 13.483 -2.688 -10.724 1.00 0.00 C ATOM 449 C GLN A 308 12.159 -2.986 -11.418 1.00 0.00 C ATOM 450 O GLN A 308 12.073 -3.044 -12.629 1.00 0.00 O ATOM 451 CB GLN A 308 14.032 -4.002 -10.165 1.00 0.00 C ATOM 452 CG GLN A 308 14.501 -4.896 -11.316 1.00 0.00 C ATOM 453 CD GLN A 308 15.774 -4.312 -11.931 1.00 0.00 C ATOM 454 OE1 GLN A 308 15.722 -3.652 -12.950 1.00 0.00 O ATOM 455 NE2 GLN A 308 16.923 -4.527 -11.352 1.00 0.00 N ATOM 0 H GLN A 308 13.794 -1.879 -8.764 1.00 0.00 H new ATOM 0 HA GLN A 308 14.201 -2.253 -11.420 1.00 0.00 H new ATOM 0 HB2 GLN A 308 14.861 -3.802 -9.486 1.00 0.00 H new ATOM 0 HB3 GLN A 308 13.262 -4.512 -9.586 1.00 0.00 H new ATOM 0 HG2 GLN A 308 14.691 -5.906 -10.952 1.00 0.00 H new ATOM 0 HG3 GLN A 308 13.720 -4.971 -12.073 1.00 0.00 H new ATOM 0 HE21 GLN A 308 16.967 -5.081 -10.497 1.00 0.00 H new ATOM 0 HE22 GLN A 308 17.777 -4.141 -11.755 1.00 0.00 H new ATOM 464 N VAL A 309 11.118 -3.153 -10.636 1.00 0.00 N ATOM 465 CA VAL A 309 9.761 -3.421 -11.220 1.00 0.00 C ATOM 466 C VAL A 309 9.539 -2.492 -12.423 1.00 0.00 C ATOM 467 O VAL A 309 8.716 -2.736 -13.283 1.00 0.00 O ATOM 468 CB VAL A 309 8.696 -3.134 -10.150 1.00 0.00 C ATOM 469 CG1 VAL A 309 9.052 -3.887 -8.873 1.00 0.00 C ATOM 470 CG2 VAL A 309 8.648 -1.631 -9.854 1.00 0.00 C ATOM 0 H VAL A 309 11.148 -3.115 -9.617 1.00 0.00 H new ATOM 0 HA VAL A 309 9.690 -4.459 -11.543 1.00 0.00 H new ATOM 0 HB VAL A 309 7.722 -3.460 -10.514 1.00 0.00 H new ATOM 0 HG11 VAL A 309 8.299 -3.687 -8.111 1.00 0.00 H new ATOM 0 HG12 VAL A 309 9.084 -4.957 -9.079 1.00 0.00 H new ATOM 0 HG13 VAL A 309 10.027 -3.557 -8.516 1.00 0.00 H new ATOM 0 HG21 VAL A 309 7.891 -1.434 -9.095 1.00 0.00 H new ATOM 0 HG22 VAL A 309 9.621 -1.300 -9.491 1.00 0.00 H new ATOM 0 HG23 VAL A 309 8.397 -1.088 -10.766 1.00 0.00 H new ATOM 480 N CYS A 310 10.291 -1.428 -12.468 1.00 0.00 N ATOM 481 CA CYS A 310 10.192 -0.437 -13.574 1.00 0.00 C ATOM 482 C CYS A 310 11.346 -0.649 -14.557 1.00 0.00 C ATOM 483 O CYS A 310 11.216 -0.413 -15.742 1.00 0.00 O ATOM 484 CB CYS A 310 10.294 0.968 -12.973 1.00 0.00 C ATOM 485 SG CYS A 310 8.979 1.207 -11.748 1.00 0.00 S ATOM 0 H CYS A 310 10.991 -1.199 -11.762 1.00 0.00 H new ATOM 0 HA CYS A 310 9.245 -0.558 -14.101 1.00 0.00 H new ATOM 0 HB2 CYS A 310 11.269 1.104 -12.505 1.00 0.00 H new ATOM 0 HB3 CYS A 310 10.211 1.717 -13.760 1.00 0.00 H new ATOM 490 N GLY A 311 12.476 -1.088 -14.075 1.00 0.00 N ATOM 491 CA GLY A 311 13.638 -1.310 -14.984 1.00 0.00 C ATOM 492 C GLY A 311 13.411 -2.577 -15.811 1.00 0.00 C ATOM 493 O GLY A 311 13.313 -3.666 -15.284 1.00 0.00 O ATOM 0 H GLY A 311 12.646 -1.303 -13.092 1.00 0.00 H new ATOM 0 HA2 GLY A 311 13.765 -0.452 -15.644 1.00 0.00 H new ATOM 0 HA3 GLY A 311 14.555 -1.403 -14.402 1.00 0.00 H new ATOM 928 N GLY B 593 -7.061 7.642 -0.386 1.00 0.00 N ATOM 929 CA GLY B 593 -5.861 6.768 -0.519 1.00 0.00 C ATOM 930 C GLY B 593 -4.705 7.586 -1.091 1.00 0.00 C ATOM 931 O GLY B 593 -4.715 7.974 -2.242 1.00 0.00 O ATOM 0 HA2 GLY B 593 -5.586 6.357 0.452 1.00 0.00 H new ATOM 0 HA3 GLY B 593 -6.082 5.923 -1.171 1.00 0.00 H new ATOM 935 N SER B 594 -3.707 7.857 -0.295 1.00 0.00 N ATOM 936 CA SER B 594 -2.553 8.655 -0.793 1.00 0.00 C ATOM 937 C SER B 594 -1.595 7.763 -1.572 1.00 0.00 C ATOM 938 O SER B 594 -1.664 6.551 -1.525 1.00 0.00 O ATOM 939 CB SER B 594 -1.794 9.283 0.372 1.00 0.00 C ATOM 940 OG SER B 594 -2.605 10.277 0.986 1.00 0.00 O ATOM 0 H SER B 594 -3.642 7.560 0.679 1.00 0.00 H new ATOM 0 HA SER B 594 -2.941 9.440 -1.442 1.00 0.00 H new ATOM 0 HB2 SER B 594 -1.525 8.517 1.100 1.00 0.00 H new ATOM 0 HB3 SER B 594 -0.863 9.726 0.017 1.00 0.00 H new ATOM 0 HG SER B 594 -2.118 10.679 1.735 1.00 0.00 H new ATOM 946 N LEU B 595 -0.695 8.373 -2.284 1.00 0.00 N ATOM 947 CA LEU B 595 0.301 7.612 -3.080 1.00 0.00 C ATOM 948 C LEU B 595 1.564 7.452 -2.238 1.00 0.00 C ATOM 949 O LEU B 595 2.110 8.423 -1.754 1.00 0.00 O ATOM 950 CB LEU B 595 0.635 8.423 -4.332 1.00 0.00 C ATOM 951 CG LEU B 595 -0.519 8.357 -5.347 1.00 0.00 C ATOM 952 CD1 LEU B 595 -0.707 6.917 -5.865 1.00 0.00 C ATOM 953 CD2 LEU B 595 -1.818 8.848 -4.687 1.00 0.00 C ATOM 0 H LEU B 595 -0.606 9.387 -2.349 1.00 0.00 H new ATOM 0 HA LEU B 595 -0.090 6.634 -3.360 1.00 0.00 H new ATOM 0 HB2 LEU B 595 0.827 9.461 -4.059 1.00 0.00 H new ATOM 0 HB3 LEU B 595 1.548 8.039 -4.787 1.00 0.00 H new ATOM 0 HG LEU B 595 -0.276 8.999 -6.193 1.00 0.00 H new ATOM 0 HD11 LEU B 595 -1.528 6.892 -6.582 1.00 0.00 H new ATOM 0 HD12 LEU B 595 0.209 6.583 -6.351 1.00 0.00 H new ATOM 0 HD13 LEU B 595 -0.935 6.256 -5.029 1.00 0.00 H new ATOM 0 HD21 LEU B 595 -2.633 8.800 -5.409 1.00 0.00 H new ATOM 0 HD22 LEU B 595 -2.053 8.215 -3.831 1.00 0.00 H new ATOM 0 HD23 LEU B 595 -1.690 9.877 -4.353 1.00 0.00 H new ATOM 965 N LEU B 596 2.033 6.239 -2.047 1.00 0.00 N ATOM 966 CA LEU B 596 3.266 6.023 -1.219 1.00 0.00 C ATOM 967 C LEU B 596 4.271 5.168 -2.004 1.00 0.00 C ATOM 968 O LEU B 596 3.907 4.426 -2.896 1.00 0.00 O ATOM 969 CB LEU B 596 2.877 5.338 0.099 1.00 0.00 C ATOM 970 CG LEU B 596 1.572 5.968 0.664 1.00 0.00 C ATOM 971 CD1 LEU B 596 0.352 5.155 0.212 1.00 0.00 C ATOM 972 CD2 LEU B 596 1.616 5.975 2.199 1.00 0.00 C ATOM 0 H LEU B 596 1.616 5.390 -2.428 1.00 0.00 H new ATOM 0 HA LEU B 596 3.734 6.980 -0.991 1.00 0.00 H new ATOM 0 HB2 LEU B 596 2.733 4.270 -0.066 1.00 0.00 H new ATOM 0 HB3 LEU B 596 3.684 5.442 0.824 1.00 0.00 H new ATOM 0 HG LEU B 596 1.493 6.988 0.289 1.00 0.00 H new ATOM 0 HD11 LEU B 596 -0.555 5.606 0.614 1.00 0.00 H new ATOM 0 HD12 LEU B 596 0.302 5.148 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU B 596 0.441 4.132 0.577 1.00 0.00 H new ATOM 0 HD21 LEU B 596 0.699 6.418 2.587 1.00 0.00 H new ATOM 0 HD22 LEU B 596 1.709 4.952 2.565 1.00 0.00 H new ATOM 0 HD23 LEU B 596 2.472 6.560 2.536 1.00 0.00 H new ATOM 984 N ARG B 597 5.542 5.301 -1.698 1.00 0.00 N ATOM 985 CA ARG B 597 6.597 4.536 -2.443 1.00 0.00 C ATOM 986 C ARG B 597 7.092 3.330 -1.633 1.00 0.00 C ATOM 987 O ARG B 597 6.335 2.663 -0.956 1.00 0.00 O ATOM 988 CB ARG B 597 7.782 5.465 -2.735 1.00 0.00 C ATOM 989 CG ARG B 597 7.277 6.785 -3.324 1.00 0.00 C ATOM 990 CD ARG B 597 8.456 7.738 -3.527 1.00 0.00 C ATOM 991 NE ARG B 597 7.952 9.068 -3.968 1.00 0.00 N ATOM 992 CZ ARG B 597 8.731 10.113 -3.910 1.00 0.00 C ATOM 993 NH1 ARG B 597 9.951 9.992 -3.461 1.00 0.00 N ATOM 994 NH2 ARG B 597 8.292 11.280 -4.298 1.00 0.00 N ATOM 0 H ARG B 597 5.896 5.910 -0.960 1.00 0.00 H new ATOM 0 HA ARG B 597 6.160 4.169 -3.372 1.00 0.00 H new ATOM 0 HB2 ARG B 597 8.340 5.656 -1.818 1.00 0.00 H new ATOM 0 HB3 ARG B 597 8.469 4.985 -3.432 1.00 0.00 H new ATOM 0 HG2 ARG B 597 6.775 6.603 -4.274 1.00 0.00 H new ATOM 0 HG3 ARG B 597 6.542 7.236 -2.657 1.00 0.00 H new ATOM 0 HD2 ARG B 597 9.018 7.840 -2.599 1.00 0.00 H new ATOM 0 HD3 ARG B 597 9.141 7.332 -4.271 1.00 0.00 H new ATOM 0 HE ARG B 597 6.998 9.162 -4.315 1.00 0.00 H new ATOM 0 HH11 ARG B 597 10.294 9.081 -3.156 1.00 0.00 H new ATOM 0 HH12 ARG B 597 10.561 10.808 -3.415 1.00 0.00 H new ATOM 0 HH21 ARG B 597 7.338 11.376 -4.647 1.00 0.00 H new ATOM 0 HH22 ARG B 597 8.903 12.096 -4.252 1.00 0.00 H new ATOM 1008 N CYS B 598 8.364 3.033 -1.736 1.00 0.00 N ATOM 1009 CA CYS B 598 8.943 1.853 -1.020 1.00 0.00 C ATOM 1010 C CYS B 598 9.122 2.144 0.475 1.00 0.00 C ATOM 1011 O CYS B 598 8.187 2.061 1.246 1.00 0.00 O ATOM 1012 CB CYS B 598 10.302 1.520 -1.641 1.00 0.00 C ATOM 1013 SG CYS B 598 11.174 0.318 -0.605 1.00 0.00 S ATOM 0 H CYS B 598 9.034 3.564 -2.292 1.00 0.00 H new ATOM 0 HA CYS B 598 8.259 1.010 -1.121 1.00 0.00 H new ATOM 0 HB2 CYS B 598 10.164 1.117 -2.644 1.00 0.00 H new ATOM 0 HB3 CYS B 598 10.898 2.427 -1.741 1.00 0.00 H new ATOM 1018 N SER B 599 10.325 2.465 0.895 1.00 0.00 N ATOM 1019 CA SER B 599 10.575 2.741 2.346 1.00 0.00 C ATOM 1020 C SER B 599 9.458 3.627 2.893 1.00 0.00 C ATOM 1021 O SER B 599 9.205 3.693 4.091 1.00 0.00 O ATOM 1022 CB SER B 599 11.917 3.456 2.506 1.00 0.00 C ATOM 1023 OG SER B 599 11.842 4.735 1.889 1.00 0.00 O ATOM 0 H SER B 599 11.145 2.548 0.294 1.00 0.00 H new ATOM 0 HA SER B 599 10.597 1.801 2.897 1.00 0.00 H new ATOM 0 HB2 SER B 599 12.162 3.563 3.563 1.00 0.00 H new ATOM 0 HB3 SER B 599 12.713 2.866 2.052 1.00 0.00 H new ATOM 0 HG SER B 599 12.700 5.198 1.991 1.00 0.00 H new ATOM 1029 N GLU B 600 8.769 4.294 2.015 1.00 0.00 N ATOM 1030 CA GLU B 600 7.651 5.163 2.446 1.00 0.00 C ATOM 1031 C GLU B 600 6.781 4.378 3.430 1.00 0.00 C ATOM 1032 O GLU B 600 6.285 4.888 4.425 1.00 0.00 O ATOM 1033 CB GLU B 600 6.822 5.526 1.202 1.00 0.00 C ATOM 1034 CG GLU B 600 6.046 6.830 1.443 1.00 0.00 C ATOM 1035 CD GLU B 600 7.022 8.005 1.553 1.00 0.00 C ATOM 1036 OE1 GLU B 600 7.843 8.154 0.663 1.00 0.00 O ATOM 1037 OE2 GLU B 600 6.930 8.737 2.525 1.00 0.00 O ATOM 0 H GLU B 600 8.936 4.272 1.009 1.00 0.00 H new ATOM 0 HA GLU B 600 8.020 6.070 2.925 1.00 0.00 H new ATOM 0 HB2 GLU B 600 7.478 5.639 0.339 1.00 0.00 H new ATOM 0 HB3 GLU B 600 6.127 4.718 0.971 1.00 0.00 H new ATOM 0 HG2 GLU B 600 5.346 7.003 0.626 1.00 0.00 H new ATOM 0 HG3 GLU B 600 5.456 6.749 2.356 1.00 0.00 H new ATOM 1044 N ILE B 601 6.580 3.117 3.132 1.00 0.00 N ATOM 1045 CA ILE B 601 5.731 2.290 4.011 1.00 0.00 C ATOM 1046 C ILE B 601 6.472 2.093 5.332 1.00 0.00 C ATOM 1047 O ILE B 601 5.872 1.983 6.378 1.00 0.00 O ATOM 1048 CB ILE B 601 5.432 0.937 3.311 1.00 0.00 C ATOM 1049 CG1 ILE B 601 4.089 1.025 2.577 1.00 0.00 C ATOM 1050 CG2 ILE B 601 5.354 -0.217 4.321 1.00 0.00 C ATOM 1051 CD1 ILE B 601 4.189 2.049 1.446 1.00 0.00 C ATOM 0 H ILE B 601 6.969 2.637 2.321 1.00 0.00 H new ATOM 0 HA ILE B 601 4.775 2.775 4.211 1.00 0.00 H new ATOM 0 HB ILE B 601 6.246 0.740 2.613 1.00 0.00 H new ATOM 0 HG12 ILE B 601 3.818 0.049 2.175 1.00 0.00 H new ATOM 0 HG13 ILE B 601 3.301 1.312 3.273 1.00 0.00 H new ATOM 0 HG21 ILE B 601 5.143 -1.148 3.794 1.00 0.00 H new ATOM 0 HG22 ILE B 601 6.305 -0.305 4.847 1.00 0.00 H new ATOM 0 HG23 ILE B 601 4.559 -0.019 5.039 1.00 0.00 H new ATOM 0 HD11 ILE B 601 3.233 2.110 0.925 1.00 0.00 H new ATOM 0 HD12 ILE B 601 4.440 3.025 1.860 1.00 0.00 H new ATOM 0 HD13 ILE B 601 4.965 1.742 0.745 1.00 0.00 H new ATOM 1063 N TRP B 602 7.791 2.052 5.279 1.00 0.00 N ATOM 1064 CA TRP B 602 8.589 1.873 6.529 1.00 0.00 C ATOM 1065 C TRP B 602 8.011 2.805 7.576 1.00 0.00 C ATOM 1066 O TRP B 602 7.847 2.450 8.727 1.00 0.00 O ATOM 1067 CB TRP B 602 10.059 2.228 6.280 1.00 0.00 C ATOM 1068 CG TRP B 602 10.889 1.748 7.429 1.00 0.00 C ATOM 1069 CD1 TRP B 602 11.358 2.531 8.429 1.00 0.00 C ATOM 1070 CD2 TRP B 602 11.356 0.398 7.714 1.00 0.00 C ATOM 1071 NE1 TRP B 602 12.082 1.747 9.308 1.00 0.00 N ATOM 1072 CE2 TRP B 602 12.109 0.424 8.911 1.00 0.00 C ATOM 1073 CE3 TRP B 602 11.199 -0.837 7.057 1.00 0.00 C ATOM 1074 CZ2 TRP B 602 12.688 -0.731 9.438 1.00 0.00 C ATOM 1075 CZ3 TRP B 602 11.780 -2.002 7.585 1.00 0.00 C ATOM 1076 CH2 TRP B 602 12.523 -1.949 8.773 1.00 0.00 C ATOM 0 H TRP B 602 8.340 2.135 4.424 1.00 0.00 H new ATOM 0 HA TRP B 602 8.542 0.836 6.860 1.00 0.00 H new ATOM 0 HB2 TRP B 602 10.403 1.770 5.353 1.00 0.00 H new ATOM 0 HB3 TRP B 602 10.169 3.306 6.163 1.00 0.00 H new ATOM 0 HD1 TRP B 602 11.193 3.594 8.524 1.00 0.00 H new ATOM 0 HE1 TRP B 602 12.540 2.102 10.147 1.00 0.00 H new ATOM 0 HE3 TRP B 602 10.628 -0.889 6.141 1.00 0.00 H new ATOM 0 HZ2 TRP B 602 13.260 -0.684 10.353 1.00 0.00 H new ATOM 0 HZ3 TRP B 602 11.654 -2.944 7.073 1.00 0.00 H new ATOM 0 HH2 TRP B 602 12.967 -2.848 9.174 1.00 0.00 H new ATOM 1087 N ASP B 603 7.650 3.988 7.166 1.00 0.00 N ATOM 1088 CA ASP B 603 7.022 4.929 8.126 1.00 0.00 C ATOM 1089 C ASP B 603 5.683 4.325 8.550 1.00 0.00 C ATOM 1090 O ASP B 603 5.327 4.325 9.711 1.00 0.00 O ATOM 1091 CB ASP B 603 6.791 6.283 7.451 1.00 0.00 C ATOM 1092 CG ASP B 603 6.351 7.308 8.497 1.00 0.00 C ATOM 1093 OD1 ASP B 603 5.172 7.339 8.808 1.00 0.00 O ATOM 1094 OD2 ASP B 603 7.201 8.045 8.971 1.00 0.00 O ATOM 0 H ASP B 603 7.762 4.340 6.215 1.00 0.00 H new ATOM 0 HA ASP B 603 7.666 5.083 8.992 1.00 0.00 H new ATOM 0 HB2 ASP B 603 7.706 6.618 6.961 1.00 0.00 H new ATOM 0 HB3 ASP B 603 6.030 6.190 6.676 1.00 0.00 H new ATOM 1099 N ARG B 604 4.944 3.782 7.612 1.00 0.00 N ATOM 1100 CA ARG B 604 3.636 3.147 7.969 1.00 0.00 C ATOM 1101 C ARG B 604 3.874 2.065 9.036 1.00 0.00 C ATOM 1102 O ARG B 604 3.152 1.966 10.007 1.00 0.00 O ATOM 1103 CB ARG B 604 3.004 2.507 6.725 1.00 0.00 C ATOM 1104 CG ARG B 604 1.517 2.149 6.992 1.00 0.00 C ATOM 1105 CD ARG B 604 0.587 3.200 6.367 1.00 0.00 C ATOM 1106 NE ARG B 604 1.037 4.568 6.748 1.00 0.00 N ATOM 1107 CZ ARG B 604 0.598 5.606 6.089 1.00 0.00 C ATOM 1108 NH1 ARG B 604 -0.234 5.445 5.098 1.00 0.00 N ATOM 1109 NH2 ARG B 604 0.990 6.805 6.424 1.00 0.00 N ATOM 0 H ARG B 604 5.188 3.751 6.622 1.00 0.00 H new ATOM 0 HA ARG B 604 2.961 3.909 8.358 1.00 0.00 H new ATOM 0 HB2 ARG B 604 3.073 3.194 5.881 1.00 0.00 H new ATOM 0 HB3 ARG B 604 3.557 1.608 6.451 1.00 0.00 H new ATOM 0 HG2 ARG B 604 1.294 1.166 6.578 1.00 0.00 H new ATOM 0 HG3 ARG B 604 1.339 2.090 8.066 1.00 0.00 H new ATOM 0 HD2 ARG B 604 0.586 3.097 5.282 1.00 0.00 H new ATOM 0 HD3 ARG B 604 -0.437 3.038 6.704 1.00 0.00 H new ATOM 0 HE ARG B 604 1.688 4.694 7.523 1.00 0.00 H new ATOM 0 HH11 ARG B 604 -0.542 4.508 4.838 1.00 0.00 H new ATOM 0 HH12 ARG B 604 -0.577 6.256 4.583 1.00 0.00 H new ATOM 0 HH21 ARG B 604 1.639 6.931 7.201 1.00 0.00 H new ATOM 0 HH22 ARG B 604 0.647 7.616 5.909 1.00 0.00 H new ATOM 1123 N ILE B 605 4.894 1.267 8.861 1.00 0.00 N ATOM 1124 CA ILE B 605 5.212 0.195 9.857 1.00 0.00 C ATOM 1125 C ILE B 605 5.458 0.811 11.239 1.00 0.00 C ATOM 1126 O ILE B 605 4.948 0.338 12.235 1.00 0.00 O ATOM 1127 CB ILE B 605 6.475 -0.555 9.416 1.00 0.00 C ATOM 1128 CG1 ILE B 605 6.360 -0.952 7.942 1.00 0.00 C ATOM 1129 CG2 ILE B 605 6.648 -1.820 10.261 1.00 0.00 C ATOM 1130 CD1 ILE B 605 5.023 -1.656 7.685 1.00 0.00 C ATOM 0 H ILE B 605 5.528 1.311 8.063 1.00 0.00 H new ATOM 0 HA ILE B 605 4.368 -0.493 9.913 1.00 0.00 H new ATOM 0 HB ILE B 605 7.336 0.099 9.551 1.00 0.00 H new ATOM 0 HG12 ILE B 605 6.439 -0.066 7.312 1.00 0.00 H new ATOM 0 HG13 ILE B 605 7.184 -1.611 7.670 1.00 0.00 H new ATOM 0 HG21 ILE B 605 7.547 -2.349 9.944 1.00 0.00 H new ATOM 0 HG22 ILE B 605 6.740 -1.546 11.312 1.00 0.00 H new ATOM 0 HG23 ILE B 605 5.781 -2.467 10.130 1.00 0.00 H new ATOM 0 HD11 ILE B 605 4.954 -1.933 6.633 1.00 0.00 H new ATOM 0 HD12 ILE B 605 4.960 -2.553 8.301 1.00 0.00 H new ATOM 0 HD13 ILE B 605 4.203 -0.984 7.938 1.00 0.00 H new ATOM 1142 N THR B 606 6.244 1.844 11.321 1.00 0.00 N ATOM 1143 CA THR B 606 6.521 2.457 12.654 1.00 0.00 C ATOM 1144 C THR B 606 5.209 2.822 13.357 1.00 0.00 C ATOM 1145 O THR B 606 5.013 2.516 14.517 1.00 0.00 O ATOM 1146 CB THR B 606 7.369 3.717 12.471 1.00 0.00 C ATOM 1147 OG1 THR B 606 6.693 4.623 11.613 1.00 0.00 O ATOM 1148 CG2 THR B 606 8.719 3.340 11.861 1.00 0.00 C ATOM 0 H THR B 606 6.706 2.291 10.530 1.00 0.00 H new ATOM 0 HA THR B 606 7.061 1.736 13.267 1.00 0.00 H new ATOM 0 HB THR B 606 7.531 4.190 13.440 1.00 0.00 H new ATOM 0 HG1 THR B 606 6.450 4.166 10.781 1.00 0.00 H new ATOM 0 HG21 THR B 606 9.323 4.238 11.731 1.00 0.00 H new ATOM 0 HG22 THR B 606 9.237 2.647 12.524 1.00 0.00 H new ATOM 0 HG23 THR B 606 8.561 2.866 10.893 1.00 0.00 H new ATOM 1267 N ILE B 614 3.233 -9.770 11.490 1.00 0.00 N ATOM 1268 CA ILE B 614 3.027 -9.631 10.014 1.00 0.00 C ATOM 1269 C ILE B 614 4.135 -10.388 9.276 1.00 0.00 C ATOM 1270 O ILE B 614 5.127 -10.777 9.860 1.00 0.00 O ATOM 1271 CB ILE B 614 3.087 -8.142 9.650 1.00 0.00 C ATOM 1272 CG1 ILE B 614 1.858 -7.434 10.226 1.00 0.00 C ATOM 1273 CG2 ILE B 614 3.108 -7.972 8.127 1.00 0.00 C ATOM 1274 CD1 ILE B 614 2.057 -5.921 10.147 1.00 0.00 C ATOM 0 HA ILE B 614 2.060 -10.043 9.727 1.00 0.00 H new ATOM 0 HB ILE B 614 3.995 -7.706 10.067 1.00 0.00 H new ATOM 0 HG12 ILE B 614 0.965 -7.723 9.671 1.00 0.00 H new ATOM 0 HG13 ILE B 614 1.702 -7.737 11.261 1.00 0.00 H new ATOM 0 HG21 ILE B 614 3.151 -6.911 7.880 1.00 0.00 H new ATOM 0 HG22 ILE B 614 3.983 -8.476 7.717 1.00 0.00 H new ATOM 0 HG23 ILE B 614 2.205 -8.408 7.700 1.00 0.00 H new ATOM 0 HD11 ILE B 614 1.182 -5.417 10.557 1.00 0.00 H new ATOM 0 HD12 ILE B 614 2.940 -5.640 10.721 1.00 0.00 H new ATOM 0 HD13 ILE B 614 2.191 -5.626 9.106 1.00 0.00 H new ATOM 1286 N ASP B 615 3.978 -10.581 7.988 1.00 0.00 N ATOM 1287 CA ASP B 615 5.013 -11.290 7.181 1.00 0.00 C ATOM 1288 C ASP B 615 5.623 -10.286 6.207 1.00 0.00 C ATOM 1289 O ASP B 615 4.943 -9.736 5.363 1.00 0.00 O ATOM 1290 CB ASP B 615 4.356 -12.428 6.397 1.00 0.00 C ATOM 1291 CG ASP B 615 3.816 -13.474 7.372 1.00 0.00 C ATOM 1292 OD1 ASP B 615 4.590 -13.959 8.180 1.00 0.00 O ATOM 1293 OD2 ASP B 615 2.635 -13.773 7.295 1.00 0.00 O ATOM 0 H ASP B 615 3.164 -10.272 7.457 1.00 0.00 H new ATOM 0 HA ASP B 615 5.784 -11.705 7.830 1.00 0.00 H new ATOM 0 HB2 ASP B 615 3.546 -12.039 5.780 1.00 0.00 H new ATOM 0 HB3 ASP B 615 5.080 -12.884 5.722 1.00 0.00 H new ATOM 1298 N VAL B 616 6.895 -10.039 6.314 1.00 0.00 N ATOM 1299 CA VAL B 616 7.534 -9.068 5.388 1.00 0.00 C ATOM 1300 C VAL B 616 7.721 -9.732 4.024 1.00 0.00 C ATOM 1301 O VAL B 616 7.901 -9.075 3.018 1.00 0.00 O ATOM 1302 CB VAL B 616 8.888 -8.634 5.952 1.00 0.00 C ATOM 1303 CG1 VAL B 616 9.555 -7.650 4.987 1.00 0.00 C ATOM 1304 CG2 VAL B 616 8.679 -7.950 7.307 1.00 0.00 C ATOM 0 H VAL B 616 7.518 -10.465 7.000 1.00 0.00 H new ATOM 0 HA VAL B 616 6.901 -8.187 5.279 1.00 0.00 H new ATOM 0 HB VAL B 616 9.525 -9.510 6.077 1.00 0.00 H new ATOM 0 HG11 VAL B 616 10.520 -7.342 5.391 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.703 -8.132 4.021 1.00 0.00 H new ATOM 0 HG13 VAL B 616 8.918 -6.775 4.862 1.00 0.00 H new ATOM 0 HG21 VAL B 616 9.643 -7.640 7.711 1.00 0.00 H new ATOM 0 HG22 VAL B 616 8.041 -7.075 7.179 1.00 0.00 H new ATOM 0 HG23 VAL B 616 8.204 -8.647 7.997 1.00 0.00 H new ATOM 1314 N ASP B 617 7.683 -11.037 3.985 1.00 0.00 N ATOM 1315 CA ASP B 617 7.868 -11.753 2.689 1.00 0.00 C ATOM 1316 C ASP B 617 6.557 -11.758 1.900 1.00 0.00 C ATOM 1317 O ASP B 617 6.544 -11.568 0.701 1.00 0.00 O ATOM 1318 CB ASP B 617 8.299 -13.195 2.963 1.00 0.00 C ATOM 1319 CG ASP B 617 9.630 -13.195 3.716 1.00 0.00 C ATOM 1320 OD1 ASP B 617 9.795 -12.358 4.588 1.00 0.00 O ATOM 1321 OD2 ASP B 617 10.462 -14.033 3.408 1.00 0.00 O ATOM 0 H ASP B 617 7.532 -11.639 4.795 1.00 0.00 H new ATOM 0 HA ASP B 617 8.634 -11.242 2.106 1.00 0.00 H new ATOM 0 HB2 ASP B 617 7.537 -13.708 3.550 1.00 0.00 H new ATOM 0 HB3 ASP B 617 8.400 -13.740 2.025 1.00 0.00 H new ATOM 1326 N GLY B 618 5.452 -11.968 2.557 1.00 0.00 N ATOM 1327 CA GLY B 618 4.154 -11.977 1.827 1.00 0.00 C ATOM 1328 C GLY B 618 3.837 -10.559 1.353 1.00 0.00 C ATOM 1329 O GLY B 618 3.518 -10.330 0.202 1.00 0.00 O ATOM 0 H GLY B 618 5.390 -12.133 3.562 1.00 0.00 H new ATOM 0 HA2 GLY B 618 4.206 -12.655 0.975 1.00 0.00 H new ATOM 0 HA3 GLY B 618 3.359 -12.343 2.477 1.00 0.00 H new ATOM 1333 N LEU B 619 3.931 -9.602 2.231 1.00 0.00 N ATOM 1334 CA LEU B 619 3.641 -8.205 1.822 1.00 0.00 C ATOM 1335 C LEU B 619 4.679 -7.765 0.784 1.00 0.00 C ATOM 1336 O LEU B 619 4.460 -6.839 0.031 1.00 0.00 O ATOM 1337 CB LEU B 619 3.644 -7.284 3.060 1.00 0.00 C ATOM 1338 CG LEU B 619 5.077 -6.826 3.426 1.00 0.00 C ATOM 1339 CD1 LEU B 619 5.557 -5.671 2.505 1.00 0.00 C ATOM 1340 CD2 LEU B 619 5.082 -6.363 4.893 1.00 0.00 C ATOM 0 H LEU B 619 4.195 -9.727 3.208 1.00 0.00 H new ATOM 0 HA LEU B 619 2.652 -8.140 1.369 1.00 0.00 H new ATOM 0 HB2 LEU B 619 3.021 -6.411 2.866 1.00 0.00 H new ATOM 0 HB3 LEU B 619 3.202 -7.810 3.906 1.00 0.00 H new ATOM 0 HG LEU B 619 5.762 -7.662 3.287 1.00 0.00 H new ATOM 0 HD11 LEU B 619 6.566 -5.374 2.790 1.00 0.00 H new ATOM 0 HD12 LEU B 619 5.557 -6.008 1.468 1.00 0.00 H new ATOM 0 HD13 LEU B 619 4.885 -4.819 2.610 1.00 0.00 H new ATOM 0 HD21 LEU B 619 6.085 -6.037 5.168 1.00 0.00 H new ATOM 0 HD22 LEU B 619 4.384 -5.535 5.015 1.00 0.00 H new ATOM 0 HD23 LEU B 619 4.780 -7.189 5.536 1.00 0.00 H new ATOM 1352 N CYS B 620 5.805 -8.433 0.726 1.00 0.00 N ATOM 1353 CA CYS B 620 6.837 -8.049 -0.279 1.00 0.00 C ATOM 1354 C CYS B 620 6.366 -8.475 -1.673 1.00 0.00 C ATOM 1355 O CYS B 620 6.468 -7.727 -2.624 1.00 0.00 O ATOM 1356 CB CYS B 620 8.164 -8.738 0.050 1.00 0.00 C ATOM 1357 SG CYS B 620 9.301 -8.563 -1.348 1.00 0.00 S ATOM 0 H CYS B 620 6.050 -9.220 1.326 1.00 0.00 H new ATOM 0 HA CYS B 620 6.983 -6.969 -0.256 1.00 0.00 H new ATOM 0 HB2 CYS B 620 8.602 -8.297 0.946 1.00 0.00 H new ATOM 0 HB3 CYS B 620 7.994 -9.793 0.264 1.00 0.00 H new ATOM 0 HG CYS B 620 10.428 -9.147 -1.066 1.00 0.00 H new ATOM 1363 N SER B 621 5.833 -9.665 -1.804 1.00 0.00 N ATOM 1364 CA SER B 621 5.342 -10.115 -3.142 1.00 0.00 C ATOM 1365 C SER B 621 3.960 -9.505 -3.387 1.00 0.00 C ATOM 1366 O SER B 621 3.363 -9.687 -4.429 1.00 0.00 O ATOM 1367 CB SER B 621 5.282 -11.642 -3.213 1.00 0.00 C ATOM 1368 OG SER B 621 6.542 -12.180 -2.832 1.00 0.00 O ATOM 0 H SER B 621 5.717 -10.340 -1.048 1.00 0.00 H new ATOM 0 HA SER B 621 6.032 -9.779 -3.916 1.00 0.00 H new ATOM 0 HB2 SER B 621 4.499 -12.018 -2.554 1.00 0.00 H new ATOM 0 HB3 SER B 621 5.028 -11.961 -4.224 1.00 0.00 H new ATOM 0 HG SER B 621 6.506 -13.158 -2.875 1.00 0.00 H new ATOM 1374 N GLU B 622 3.469 -8.749 -2.446 1.00 0.00 N ATOM 1375 CA GLU B 622 2.148 -8.076 -2.616 1.00 0.00 C ATOM 1376 C GLU B 622 2.371 -6.627 -3.077 1.00 0.00 C ATOM 1377 O GLU B 622 1.709 -6.156 -3.980 1.00 0.00 O ATOM 1378 CB GLU B 622 1.397 -8.075 -1.278 1.00 0.00 C ATOM 1379 CG GLU B 622 -0.089 -7.759 -1.508 1.00 0.00 C ATOM 1380 CD GLU B 622 -0.882 -8.068 -0.238 1.00 0.00 C ATOM 1381 OE1 GLU B 622 -0.335 -8.722 0.635 1.00 0.00 O ATOM 1382 OE2 GLU B 622 -2.025 -7.648 -0.161 1.00 0.00 O ATOM 0 H GLU B 622 3.931 -8.566 -1.555 1.00 0.00 H new ATOM 0 HA GLU B 622 1.560 -8.611 -3.362 1.00 0.00 H new ATOM 0 HB2 GLU B 622 1.500 -9.046 -0.793 1.00 0.00 H new ATOM 0 HB3 GLU B 622 1.835 -7.336 -0.607 1.00 0.00 H new ATOM 0 HG2 GLU B 622 -0.210 -6.710 -1.778 1.00 0.00 H new ATOM 0 HG3 GLU B 622 -0.472 -8.349 -2.341 1.00 0.00 H new ATOM 1389 N LEU B 623 3.285 -5.908 -2.475 1.00 0.00 N ATOM 1390 CA LEU B 623 3.516 -4.489 -2.905 1.00 0.00 C ATOM 1391 C LEU B 623 4.498 -4.455 -4.091 1.00 0.00 C ATOM 1392 O LEU B 623 4.491 -3.538 -4.889 1.00 0.00 O ATOM 1393 CB LEU B 623 4.117 -3.680 -1.732 1.00 0.00 C ATOM 1394 CG LEU B 623 3.008 -3.122 -0.822 1.00 0.00 C ATOM 1395 CD1 LEU B 623 2.337 -4.263 -0.047 1.00 0.00 C ATOM 1396 CD2 LEU B 623 3.626 -2.120 0.165 1.00 0.00 C ATOM 0 H LEU B 623 3.877 -6.235 -1.712 1.00 0.00 H new ATOM 0 HA LEU B 623 2.564 -4.052 -3.205 1.00 0.00 H new ATOM 0 HB2 LEU B 623 4.784 -4.317 -1.150 1.00 0.00 H new ATOM 0 HB3 LEU B 623 4.719 -2.860 -2.122 1.00 0.00 H new ATOM 0 HG LEU B 623 2.256 -2.623 -1.433 1.00 0.00 H new ATOM 0 HD11 LEU B 623 1.554 -3.857 0.593 1.00 0.00 H new ATOM 0 HD12 LEU B 623 1.899 -4.972 -0.750 1.00 0.00 H new ATOM 0 HD13 LEU B 623 3.080 -4.772 0.567 1.00 0.00 H new ATOM 0 HD21 LEU B 623 2.846 -1.720 0.813 1.00 0.00 H new ATOM 0 HD22 LEU B 623 4.379 -2.624 0.771 1.00 0.00 H new ATOM 0 HD23 LEU B 623 4.092 -1.304 -0.388 1.00 0.00 H new ATOM 1408 N MET B 624 5.367 -5.426 -4.182 1.00 0.00 N ATOM 1409 CA MET B 624 6.386 -5.438 -5.276 1.00 0.00 C ATOM 1410 C MET B 624 5.745 -5.562 -6.666 1.00 0.00 C ATOM 1411 O MET B 624 6.265 -5.030 -7.626 1.00 0.00 O ATOM 1412 CB MET B 624 7.335 -6.614 -5.051 1.00 0.00 C ATOM 1413 CG MET B 624 8.379 -6.661 -6.162 1.00 0.00 C ATOM 1414 SD MET B 624 9.679 -7.843 -5.720 1.00 0.00 S ATOM 1415 CE MET B 624 10.917 -6.641 -5.169 1.00 0.00 C ATOM 0 H MET B 624 5.416 -6.218 -3.541 1.00 0.00 H new ATOM 0 HA MET B 624 6.924 -4.490 -5.247 1.00 0.00 H new ATOM 0 HB2 MET B 624 7.826 -6.516 -4.083 1.00 0.00 H new ATOM 0 HB3 MET B 624 6.772 -7.547 -5.030 1.00 0.00 H new ATOM 0 HG2 MET B 624 7.912 -6.953 -7.103 1.00 0.00 H new ATOM 0 HG3 MET B 624 8.809 -5.671 -6.314 1.00 0.00 H new ATOM 0 HE1 MET B 624 11.758 -7.166 -4.716 1.00 0.00 H new ATOM 0 HE2 MET B 624 11.268 -6.063 -6.024 1.00 0.00 H new ATOM 0 HE3 MET B 624 10.471 -5.970 -4.435 1.00 0.00 H new ATOM 1425 N ALA B 625 4.634 -6.251 -6.798 1.00 0.00 N ATOM 1426 CA ALA B 625 3.988 -6.390 -8.152 1.00 0.00 C ATOM 1427 C ALA B 625 2.751 -5.494 -8.236 1.00 0.00 C ATOM 1428 O ALA B 625 2.184 -5.323 -9.296 1.00 0.00 O ATOM 1429 CB ALA B 625 3.615 -7.848 -8.424 1.00 0.00 C ATOM 0 H ALA B 625 4.147 -6.721 -6.035 1.00 0.00 H new ATOM 0 HA ALA B 625 4.701 -6.075 -8.914 1.00 0.00 H new ATOM 0 HB1 ALA B 625 3.150 -7.927 -9.407 1.00 0.00 H new ATOM 0 HB2 ALA B 625 4.513 -8.465 -8.397 1.00 0.00 H new ATOM 0 HB3 ALA B 625 2.915 -8.193 -7.663 1.00 0.00 H new ATOM 1435 N LYS B 626 2.364 -4.862 -7.166 1.00 0.00 N ATOM 1436 CA LYS B 626 1.211 -3.918 -7.254 1.00 0.00 C ATOM 1437 C LYS B 626 1.805 -2.559 -7.627 1.00 0.00 C ATOM 1438 O LYS B 626 1.115 -1.611 -7.945 1.00 0.00 O ATOM 1439 CB LYS B 626 0.492 -3.826 -5.901 1.00 0.00 C ATOM 1440 CG LYS B 626 -0.241 -5.146 -5.599 1.00 0.00 C ATOM 1441 CD LYS B 626 -1.614 -5.164 -6.284 1.00 0.00 C ATOM 1442 CE LYS B 626 -2.369 -6.430 -5.876 1.00 0.00 C ATOM 1443 NZ LYS B 626 -3.595 -6.569 -6.711 1.00 0.00 N ATOM 0 H LYS B 626 2.788 -4.954 -6.243 1.00 0.00 H new ATOM 0 HA LYS B 626 0.480 -4.252 -7.990 1.00 0.00 H new ATOM 0 HB2 LYS B 626 1.213 -3.613 -5.112 1.00 0.00 H new ATOM 0 HB3 LYS B 626 -0.220 -3.001 -5.914 1.00 0.00 H new ATOM 0 HG2 LYS B 626 0.357 -5.989 -5.946 1.00 0.00 H new ATOM 0 HG3 LYS B 626 -0.363 -5.264 -4.522 1.00 0.00 H new ATOM 0 HD2 LYS B 626 -2.185 -4.280 -6.001 1.00 0.00 H new ATOM 0 HD3 LYS B 626 -1.493 -5.133 -7.367 1.00 0.00 H new ATOM 0 HE2 LYS B 626 -1.730 -7.304 -6.002 1.00 0.00 H new ATOM 0 HE3 LYS B 626 -2.638 -6.381 -4.821 1.00 0.00 H new ATOM 0 HZ1 LYS B 626 -4.108 -7.430 -6.433 1.00 0.00 H new ATOM 0 HZ2 LYS B 626 -4.207 -5.740 -6.570 1.00 0.00 H new ATOM 0 HZ3 LYS B 626 -3.327 -6.634 -7.714 1.00 0.00 H new ATOM 1457 N ALA B 627 3.111 -2.487 -7.574 1.00 0.00 N ATOM 1458 CA ALA B 627 3.849 -1.233 -7.899 1.00 0.00 C ATOM 1459 C ALA B 627 3.314 -0.584 -9.183 1.00 0.00 C ATOM 1460 O ALA B 627 3.073 -1.244 -10.174 1.00 0.00 O ATOM 1461 CB ALA B 627 5.331 -1.582 -8.091 1.00 0.00 C ATOM 0 H ALA B 627 3.711 -3.269 -7.311 1.00 0.00 H new ATOM 0 HA ALA B 627 3.715 -0.524 -7.082 1.00 0.00 H new ATOM 0 HB1 ALA B 627 5.890 -0.677 -8.330 1.00 0.00 H new ATOM 0 HB2 ALA B 627 5.724 -2.019 -7.173 1.00 0.00 H new ATOM 0 HB3 ALA B 627 5.434 -2.298 -8.907 1.00 0.00 H new ATOM 1467 N LYS B 628 3.161 0.720 -9.167 1.00 0.00 N ATOM 1468 CA LYS B 628 2.679 1.464 -10.376 1.00 0.00 C ATOM 1469 C LYS B 628 3.811 2.381 -10.847 1.00 0.00 C ATOM 1470 O LYS B 628 3.972 3.488 -10.367 1.00 0.00 O ATOM 1471 CB LYS B 628 1.450 2.304 -10.011 1.00 0.00 C ATOM 1472 CG LYS B 628 0.300 1.388 -9.555 1.00 0.00 C ATOM 1473 CD LYS B 628 -0.471 0.860 -10.771 1.00 0.00 C ATOM 1474 CE LYS B 628 -1.666 0.030 -10.296 1.00 0.00 C ATOM 1475 NZ LYS B 628 -2.490 0.839 -9.354 1.00 0.00 N ATOM 0 H LYS B 628 3.352 1.308 -8.356 1.00 0.00 H new ATOM 0 HA LYS B 628 2.401 0.766 -11.166 1.00 0.00 H new ATOM 0 HB2 LYS B 628 1.703 3.006 -9.217 1.00 0.00 H new ATOM 0 HB3 LYS B 628 1.135 2.895 -10.871 1.00 0.00 H new ATOM 0 HG2 LYS B 628 0.697 0.554 -8.977 1.00 0.00 H new ATOM 0 HG3 LYS B 628 -0.374 1.938 -8.899 1.00 0.00 H new ATOM 0 HD2 LYS B 628 -0.814 1.691 -11.387 1.00 0.00 H new ATOM 0 HD3 LYS B 628 0.184 0.251 -11.394 1.00 0.00 H new ATOM 0 HE2 LYS B 628 -2.269 -0.280 -11.149 1.00 0.00 H new ATOM 0 HE3 LYS B 628 -1.319 -0.879 -9.804 1.00 0.00 H new ATOM 0 HZ1 LYS B 628 -3.492 0.579 -9.458 1.00 0.00 H new ATOM 0 HZ2 LYS B 628 -2.183 0.654 -8.378 1.00 0.00 H new ATOM 0 HZ3 LYS B 628 -2.371 1.850 -9.568 1.00 0.00 H new ATOM 1489 N CYS B 629 4.622 1.898 -11.744 1.00 0.00 N ATOM 1490 CA CYS B 629 5.788 2.693 -12.230 1.00 0.00 C ATOM 1491 C CYS B 629 5.374 4.070 -12.756 1.00 0.00 C ATOM 1492 O CYS B 629 4.574 4.210 -13.660 1.00 0.00 O ATOM 1493 CB CYS B 629 6.506 1.924 -13.335 1.00 0.00 C ATOM 1494 SG CYS B 629 7.311 0.473 -12.623 1.00 0.00 S ATOM 0 H CYS B 629 4.527 0.975 -12.168 1.00 0.00 H new ATOM 0 HA CYS B 629 6.453 2.850 -11.381 1.00 0.00 H new ATOM 0 HB2 CYS B 629 5.795 1.620 -14.103 1.00 0.00 H new ATOM 0 HB3 CYS B 629 7.244 2.564 -13.819 1.00 0.00 H new ATOM 1499 N SER B 630 5.978 5.082 -12.191 1.00 0.00 N ATOM 1500 CA SER B 630 5.729 6.491 -12.611 1.00 0.00 C ATOM 1501 C SER B 630 7.066 7.232 -12.522 1.00 0.00 C ATOM 1502 O SER B 630 7.965 6.791 -11.833 1.00 0.00 O ATOM 1503 CB SER B 630 4.707 7.142 -11.676 1.00 0.00 C ATOM 1504 OG SER B 630 4.512 8.496 -12.061 1.00 0.00 O ATOM 0 H SER B 630 6.654 4.986 -11.433 1.00 0.00 H new ATOM 0 HA SER B 630 5.332 6.529 -13.625 1.00 0.00 H new ATOM 0 HB2 SER B 630 3.762 6.600 -11.718 1.00 0.00 H new ATOM 0 HB3 SER B 630 5.057 7.092 -10.645 1.00 0.00 H new ATOM 0 HG SER B 630 4.724 8.599 -13.012 1.00 0.00 H new ATOM 1510 N GLU B 631 7.236 8.336 -13.199 1.00 0.00 N ATOM 1511 CA GLU B 631 8.548 9.038 -13.107 1.00 0.00 C ATOM 1512 C GLU B 631 8.775 9.501 -11.665 1.00 0.00 C ATOM 1513 O GLU B 631 9.893 9.731 -11.250 1.00 0.00 O ATOM 1514 CB GLU B 631 8.588 10.235 -14.066 1.00 0.00 C ATOM 1515 CG GLU B 631 7.360 11.132 -13.844 1.00 0.00 C ATOM 1516 CD GLU B 631 6.148 10.550 -14.581 1.00 0.00 C ATOM 1517 OE1 GLU B 631 6.063 10.741 -15.782 1.00 0.00 O ATOM 1518 OE2 GLU B 631 5.329 9.925 -13.929 1.00 0.00 O ATOM 0 H GLU B 631 6.539 8.775 -13.800 1.00 0.00 H new ATOM 0 HA GLU B 631 9.343 8.349 -13.394 1.00 0.00 H new ATOM 0 HB2 GLU B 631 9.501 10.809 -13.906 1.00 0.00 H new ATOM 0 HB3 GLU B 631 8.609 9.884 -15.098 1.00 0.00 H new ATOM 0 HG2 GLU B 631 7.145 11.211 -12.778 1.00 0.00 H new ATOM 0 HG3 GLU B 631 7.566 12.140 -14.204 1.00 0.00 H new ATOM 1525 N ARG B 632 7.736 9.598 -10.884 1.00 0.00 N ATOM 1526 CA ARG B 632 7.917 9.998 -9.460 1.00 0.00 C ATOM 1527 C ARG B 632 8.332 8.746 -8.682 1.00 0.00 C ATOM 1528 O ARG B 632 7.968 8.547 -7.541 1.00 0.00 O ATOM 1529 CB ARG B 632 6.600 10.549 -8.906 1.00 0.00 C ATOM 1530 CG ARG B 632 6.314 11.912 -9.543 1.00 0.00 C ATOM 1531 CD ARG B 632 5.121 12.570 -8.846 1.00 0.00 C ATOM 1532 NE ARG B 632 5.025 13.995 -9.272 1.00 0.00 N ATOM 1533 CZ ARG B 632 3.930 14.672 -9.048 1.00 0.00 C ATOM 1534 NH1 ARG B 632 2.918 14.103 -8.453 1.00 0.00 N ATOM 1535 NH2 ARG B 632 3.849 15.921 -9.422 1.00 0.00 N ATOM 0 H ARG B 632 6.773 9.419 -11.168 1.00 0.00 H new ATOM 0 HA ARG B 632 8.677 10.774 -9.368 1.00 0.00 H new ATOM 0 HB2 ARG B 632 5.785 9.857 -9.119 1.00 0.00 H new ATOM 0 HB3 ARG B 632 6.661 10.647 -7.822 1.00 0.00 H new ATOM 0 HG2 ARG B 632 7.192 12.553 -9.463 1.00 0.00 H new ATOM 0 HG3 ARG B 632 6.104 11.790 -10.606 1.00 0.00 H new ATOM 0 HD2 ARG B 632 4.202 12.041 -9.097 1.00 0.00 H new ATOM 0 HD3 ARG B 632 5.239 12.509 -7.764 1.00 0.00 H new ATOM 0 HE ARG B 632 5.814 14.442 -9.739 1.00 0.00 H new ATOM 0 HH11 ARG B 632 2.980 13.128 -8.161 1.00 0.00 H new ATOM 0 HH12 ARG B 632 2.064 14.634 -8.279 1.00 0.00 H new ATOM 0 HH21 ARG B 632 4.640 16.366 -9.888 1.00 0.00 H new ATOM 0 HH22 ARG B 632 2.995 16.451 -9.248 1.00 0.00 H new ATOM 1549 N GLY B 633 9.075 7.889 -9.330 1.00 0.00 N ATOM 1550 CA GLY B 633 9.509 6.619 -8.683 1.00 0.00 C ATOM 1551 C GLY B 633 8.297 5.693 -8.616 1.00 0.00 C ATOM 1552 O GLY B 633 7.275 5.974 -9.210 1.00 0.00 O ATOM 0 H GLY B 633 9.402 8.017 -10.288 1.00 0.00 H new ATOM 0 HA2 GLY B 633 10.314 6.155 -9.253 1.00 0.00 H new ATOM 0 HA3 GLY B 633 9.898 6.813 -7.683 1.00 0.00 H new ATOM 1556 N VAL B 634 8.370 4.603 -7.905 1.00 0.00 N ATOM 1557 CA VAL B 634 7.196 3.694 -7.819 1.00 0.00 C ATOM 1558 C VAL B 634 6.172 4.277 -6.849 1.00 0.00 C ATOM 1559 O VAL B 634 6.533 4.867 -5.851 1.00 0.00 O ATOM 1560 CB VAL B 634 7.666 2.343 -7.272 1.00 0.00 C ATOM 1561 CG1 VAL B 634 8.352 2.541 -5.917 1.00 0.00 C ATOM 1562 CG2 VAL B 634 6.461 1.421 -7.095 1.00 0.00 C ATOM 0 H VAL B 634 9.192 4.303 -7.380 1.00 0.00 H new ATOM 0 HA VAL B 634 6.747 3.577 -8.805 1.00 0.00 H new ATOM 0 HB VAL B 634 8.372 1.898 -7.973 1.00 0.00 H new ATOM 0 HG11 VAL B 634 8.684 1.576 -5.533 1.00 0.00 H new ATOM 0 HG12 VAL B 634 9.212 3.199 -6.037 1.00 0.00 H new ATOM 0 HG13 VAL B 634 7.648 2.988 -5.215 1.00 0.00 H new ATOM 0 HG21 VAL B 634 6.793 0.459 -6.706 1.00 0.00 H new ATOM 0 HG22 VAL B 634 5.757 1.872 -6.395 1.00 0.00 H new ATOM 0 HG23 VAL B 634 5.971 1.273 -8.058 1.00 0.00 H new ATOM 1572 N VAL B 635 4.900 4.111 -7.113 1.00 0.00 N ATOM 1573 CA VAL B 635 3.862 4.651 -6.176 1.00 0.00 C ATOM 1574 C VAL B 635 2.742 3.621 -6.010 1.00 0.00 C ATOM 1575 O VAL B 635 2.355 2.954 -6.948 1.00 0.00 O ATOM 1576 CB VAL B 635 3.293 5.957 -6.734 1.00 0.00 C ATOM 1577 CG1 VAL B 635 4.424 6.969 -6.921 1.00 0.00 C ATOM 1578 CG2 VAL B 635 2.624 5.686 -8.083 1.00 0.00 C ATOM 0 H VAL B 635 4.534 3.627 -7.933 1.00 0.00 H new ATOM 0 HA VAL B 635 4.315 4.849 -5.205 1.00 0.00 H new ATOM 0 HB VAL B 635 2.558 6.359 -6.037 1.00 0.00 H new ATOM 0 HG11 VAL B 635 4.018 7.899 -7.319 1.00 0.00 H new ATOM 0 HG12 VAL B 635 4.901 7.163 -5.960 1.00 0.00 H new ATOM 0 HG13 VAL B 635 5.160 6.567 -7.618 1.00 0.00 H new ATOM 0 HG21 VAL B 635 2.218 6.616 -8.481 1.00 0.00 H new ATOM 0 HG22 VAL B 635 3.359 5.283 -8.779 1.00 0.00 H new ATOM 0 HG23 VAL B 635 1.817 4.965 -7.951 1.00 0.00 H new ATOM 1588 N ILE B 636 2.226 3.483 -4.811 1.00 0.00 N ATOM 1589 CA ILE B 636 1.133 2.493 -4.548 1.00 0.00 C ATOM 1590 C ILE B 636 0.008 3.173 -3.770 1.00 0.00 C ATOM 1591 O ILE B 636 0.231 4.110 -3.031 1.00 0.00 O ATOM 1592 CB ILE B 636 1.685 1.335 -3.712 1.00 0.00 C ATOM 1593 CG1 ILE B 636 2.794 0.625 -4.495 1.00 0.00 C ATOM 1594 CG2 ILE B 636 0.560 0.344 -3.399 1.00 0.00 C ATOM 1595 CD1 ILE B 636 3.563 -0.312 -3.564 1.00 0.00 C ATOM 0 H ILE B 636 2.519 4.020 -3.995 1.00 0.00 H new ATOM 0 HA ILE B 636 0.752 2.116 -5.497 1.00 0.00 H new ATOM 0 HB ILE B 636 2.092 1.723 -2.778 1.00 0.00 H new ATOM 0 HG12 ILE B 636 2.364 0.060 -5.322 1.00 0.00 H new ATOM 0 HG13 ILE B 636 3.473 1.359 -4.930 1.00 0.00 H new ATOM 0 HG21 ILE B 636 0.955 -0.479 -2.804 1.00 0.00 H new ATOM 0 HG22 ILE B 636 -0.226 0.851 -2.840 1.00 0.00 H new ATOM 0 HG23 ILE B 636 0.149 -0.046 -4.330 1.00 0.00 H new ATOM 0 HD11 ILE B 636 4.351 -0.815 -4.124 1.00 0.00 H new ATOM 0 HD12 ILE B 636 4.006 0.265 -2.752 1.00 0.00 H new ATOM 0 HD13 ILE B 636 2.881 -1.055 -3.151 1.00 0.00 H new ATOM 1607 N ASN B 637 -1.202 2.709 -3.928 1.00 0.00 N ATOM 1608 CA ASN B 637 -2.342 3.329 -3.191 1.00 0.00 C ATOM 1609 C ASN B 637 -2.466 2.684 -1.807 1.00 0.00 C ATOM 1610 O ASN B 637 -2.415 1.480 -1.655 1.00 0.00 O ATOM 1611 CB ASN B 637 -3.637 3.127 -3.981 1.00 0.00 C ATOM 1612 CG ASN B 637 -3.413 3.532 -5.439 1.00 0.00 C ATOM 1613 OD1 ASN B 637 -2.661 4.445 -5.719 1.00 0.00 O ATOM 1614 ND2 ASN B 637 -4.038 2.888 -6.386 1.00 0.00 N ATOM 0 H ASN B 637 -1.451 1.928 -4.535 1.00 0.00 H new ATOM 0 HA ASN B 637 -2.162 4.398 -3.073 1.00 0.00 H new ATOM 0 HB2 ASN B 637 -3.950 2.084 -3.926 1.00 0.00 H new ATOM 0 HB3 ASN B 637 -4.438 3.724 -3.545 1.00 0.00 H new ATOM 0 HD21 ASN B 637 -3.896 3.151 -7.361 1.00 0.00 H new ATOM 0 HD22 ASN B 637 -4.669 2.122 -6.151 1.00 0.00 H new ATOM 1621 N ALA B 638 -2.612 3.498 -0.797 1.00 0.00 N ATOM 1622 CA ALA B 638 -2.724 2.988 0.600 1.00 0.00 C ATOM 1623 C ALA B 638 -3.757 1.853 0.712 1.00 0.00 C ATOM 1624 O ALA B 638 -3.847 1.201 1.733 1.00 0.00 O ATOM 1625 CB ALA B 638 -3.144 4.131 1.521 1.00 0.00 C ATOM 0 H ALA B 638 -2.659 4.513 -0.883 1.00 0.00 H new ATOM 0 HA ALA B 638 -1.750 2.594 0.891 1.00 0.00 H new ATOM 0 HB1 ALA B 638 -3.227 3.763 2.543 1.00 0.00 H new ATOM 0 HB2 ALA B 638 -2.397 4.924 1.481 1.00 0.00 H new ATOM 0 HB3 ALA B 638 -4.108 4.524 1.197 1.00 0.00 H new ATOM 1631 N GLU B 639 -4.549 1.615 -0.300 1.00 0.00 N ATOM 1632 CA GLU B 639 -5.579 0.529 -0.193 1.00 0.00 C ATOM 1633 C GLU B 639 -4.990 -0.839 -0.569 1.00 0.00 C ATOM 1634 O GLU B 639 -5.493 -1.864 -0.150 1.00 0.00 O ATOM 1635 CB GLU B 639 -6.762 0.846 -1.109 1.00 0.00 C ATOM 1636 CG GLU B 639 -6.249 1.222 -2.499 1.00 0.00 C ATOM 1637 CD GLU B 639 -7.432 1.344 -3.463 1.00 0.00 C ATOM 1638 OE1 GLU B 639 -8.022 0.324 -3.777 1.00 0.00 O ATOM 1639 OE2 GLU B 639 -7.726 2.457 -3.868 1.00 0.00 O ATOM 0 H GLU B 639 -4.532 2.117 -1.188 1.00 0.00 H new ATOM 0 HA GLU B 639 -5.915 0.483 0.843 1.00 0.00 H new ATOM 0 HB2 GLU B 639 -7.424 -0.017 -1.176 1.00 0.00 H new ATOM 0 HB3 GLU B 639 -7.348 1.666 -0.693 1.00 0.00 H new ATOM 0 HG2 GLU B 639 -5.704 2.165 -2.454 1.00 0.00 H new ATOM 0 HG3 GLU B 639 -5.550 0.466 -2.857 1.00 0.00 H new ATOM 1646 N ASP B 640 -3.917 -0.889 -1.311 1.00 0.00 N ATOM 1647 CA ASP B 640 -3.329 -2.225 -1.647 1.00 0.00 C ATOM 1648 C ASP B 640 -2.453 -2.665 -0.475 1.00 0.00 C ATOM 1649 O ASP B 640 -2.455 -3.816 -0.084 1.00 0.00 O ATOM 1650 CB ASP B 640 -2.500 -2.135 -2.929 1.00 0.00 C ATOM 1651 CG ASP B 640 -1.770 -3.460 -3.156 1.00 0.00 C ATOM 1652 OD1 ASP B 640 -2.428 -4.418 -3.526 1.00 0.00 O ATOM 1653 OD2 ASP B 640 -0.567 -3.494 -2.957 1.00 0.00 O ATOM 0 H ASP B 640 -3.427 -0.081 -1.695 1.00 0.00 H new ATOM 0 HA ASP B 640 -4.123 -2.953 -1.815 1.00 0.00 H new ATOM 0 HB2 ASP B 640 -3.146 -1.913 -3.778 1.00 0.00 H new ATOM 0 HB3 ASP B 640 -1.781 -1.319 -2.854 1.00 0.00 H new ATOM 1658 N VAL B 641 -1.745 -1.751 0.116 1.00 0.00 N ATOM 1659 CA VAL B 641 -0.910 -2.100 1.297 1.00 0.00 C ATOM 1660 C VAL B 641 -1.834 -2.359 2.486 1.00 0.00 C ATOM 1661 O VAL B 641 -1.734 -3.378 3.140 1.00 0.00 O ATOM 1662 CB VAL B 641 0.042 -0.946 1.623 1.00 0.00 C ATOM 1663 CG1 VAL B 641 -0.752 0.344 1.836 1.00 0.00 C ATOM 1664 CG2 VAL B 641 0.828 -1.284 2.892 1.00 0.00 C ATOM 0 H VAL B 641 -1.707 -0.772 -0.167 1.00 0.00 H new ATOM 0 HA VAL B 641 -0.318 -2.990 1.082 1.00 0.00 H new ATOM 0 HB VAL B 641 0.732 -0.802 0.792 1.00 0.00 H new ATOM 0 HG11 VAL B 641 -0.066 1.159 2.067 1.00 0.00 H new ATOM 0 HG12 VAL B 641 -1.307 0.583 0.929 1.00 0.00 H new ATOM 0 HG13 VAL B 641 -1.449 0.210 2.663 1.00 0.00 H new ATOM 0 HG21 VAL B 641 1.507 -0.465 3.128 1.00 0.00 H new ATOM 0 HG22 VAL B 641 0.135 -1.431 3.721 1.00 0.00 H new ATOM 0 HG23 VAL B 641 1.402 -2.197 2.732 1.00 0.00 H new ATOM 1674 N GLN B 642 -2.735 -1.458 2.785 1.00 0.00 N ATOM 1675 CA GLN B 642 -3.651 -1.697 3.941 1.00 0.00 C ATOM 1676 C GLN B 642 -4.239 -3.107 3.823 1.00 0.00 C ATOM 1677 O GLN B 642 -4.485 -3.770 4.811 1.00 0.00 O ATOM 1678 CB GLN B 642 -4.771 -0.655 3.953 1.00 0.00 C ATOM 1679 CG GLN B 642 -5.554 -0.763 5.264 1.00 0.00 C ATOM 1680 CD GLN B 642 -4.682 -0.273 6.422 1.00 0.00 C ATOM 1681 OE1 GLN B 642 -4.026 0.744 6.316 1.00 0.00 O ATOM 1682 NE2 GLN B 642 -4.646 -0.959 7.531 1.00 0.00 N ATOM 0 H GLN B 642 -2.875 -0.579 2.287 1.00 0.00 H new ATOM 0 HA GLN B 642 -3.094 -1.609 4.874 1.00 0.00 H new ATOM 0 HB2 GLN B 642 -4.352 0.346 3.848 1.00 0.00 H new ATOM 0 HB3 GLN B 642 -5.437 -0.812 3.105 1.00 0.00 H new ATOM 0 HG2 GLN B 642 -6.466 -0.169 5.205 1.00 0.00 H new ATOM 0 HG3 GLN B 642 -5.857 -1.796 5.435 1.00 0.00 H new ATOM 0 HE21 GLN B 642 -5.197 -1.813 7.621 1.00 0.00 H new ATOM 0 HE22 GLN B 642 -4.067 -0.641 8.309 1.00 0.00 H new ATOM 1691 N LEU B 643 -4.430 -3.588 2.623 1.00 0.00 N ATOM 1692 CA LEU B 643 -4.957 -4.974 2.452 1.00 0.00 C ATOM 1693 C LEU B 643 -3.786 -5.964 2.532 1.00 0.00 C ATOM 1694 O LEU B 643 -3.979 -7.139 2.764 1.00 0.00 O ATOM 1695 CB LEU B 643 -5.657 -5.106 1.096 1.00 0.00 C ATOM 1696 CG LEU B 643 -6.891 -4.192 1.047 1.00 0.00 C ATOM 1697 CD1 LEU B 643 -7.379 -4.080 -0.400 1.00 0.00 C ATOM 1698 CD2 LEU B 643 -8.020 -4.762 1.922 1.00 0.00 C ATOM 0 H LEU B 643 -4.245 -3.083 1.756 1.00 0.00 H new ATOM 0 HA LEU B 643 -5.679 -5.191 3.240 1.00 0.00 H new ATOM 0 HB2 LEU B 643 -4.967 -4.842 0.295 1.00 0.00 H new ATOM 0 HB3 LEU B 643 -5.955 -6.141 0.931 1.00 0.00 H new ATOM 0 HG LEU B 643 -6.616 -3.208 1.427 1.00 0.00 H new ATOM 0 HD11 LEU B 643 -8.255 -3.432 -0.440 1.00 0.00 H new ATOM 0 HD12 LEU B 643 -6.587 -3.658 -1.019 1.00 0.00 H new ATOM 0 HD13 LEU B 643 -7.643 -5.070 -0.773 1.00 0.00 H new ATOM 0 HD21 LEU B 643 -8.886 -4.101 1.875 1.00 0.00 H new ATOM 0 HD22 LEU B 643 -8.298 -5.751 1.558 1.00 0.00 H new ATOM 0 HD23 LEU B 643 -7.677 -4.838 2.954 1.00 0.00 H new ATOM 1710 N ALA B 644 -2.572 -5.503 2.370 1.00 0.00 N ATOM 1711 CA ALA B 644 -1.399 -6.429 2.473 1.00 0.00 C ATOM 1712 C ALA B 644 -0.947 -6.515 3.934 1.00 0.00 C ATOM 1713 O ALA B 644 -0.477 -7.540 4.386 1.00 0.00 O ATOM 1714 CB ALA B 644 -0.243 -5.914 1.610 1.00 0.00 C ATOM 0 H ALA B 644 -2.341 -4.530 2.172 1.00 0.00 H new ATOM 0 HA ALA B 644 -1.692 -7.417 2.119 1.00 0.00 H new ATOM 0 HB1 ALA B 644 0.604 -6.595 1.693 1.00 0.00 H new ATOM 0 HB2 ALA B 644 -0.563 -5.857 0.570 1.00 0.00 H new ATOM 0 HB3 ALA B 644 0.053 -4.923 1.953 1.00 0.00 H new ATOM 1720 N LEU B 645 -1.085 -5.451 4.676 1.00 0.00 N ATOM 1721 CA LEU B 645 -0.660 -5.478 6.107 1.00 0.00 C ATOM 1722 C LEU B 645 -1.807 -5.991 6.985 1.00 0.00 C ATOM 1723 O LEU B 645 -1.585 -6.500 8.065 1.00 0.00 O ATOM 1724 CB LEU B 645 -0.276 -4.065 6.553 1.00 0.00 C ATOM 1725 CG LEU B 645 0.772 -3.481 5.599 1.00 0.00 C ATOM 1726 CD1 LEU B 645 1.117 -2.058 6.046 1.00 0.00 C ATOM 1727 CD2 LEU B 645 2.041 -4.347 5.619 1.00 0.00 C ATOM 0 H LEU B 645 -1.473 -4.564 4.355 1.00 0.00 H new ATOM 0 HA LEU B 645 0.197 -6.143 6.210 1.00 0.00 H new ATOM 0 HB2 LEU B 645 -1.160 -3.427 6.570 1.00 0.00 H new ATOM 0 HB3 LEU B 645 0.119 -4.090 7.569 1.00 0.00 H new ATOM 0 HG LEU B 645 0.370 -3.464 4.586 1.00 0.00 H new ATOM 0 HD11 LEU B 645 1.862 -1.636 5.372 1.00 0.00 H new ATOM 0 HD12 LEU B 645 0.218 -1.442 6.025 1.00 0.00 H new ATOM 0 HD13 LEU B 645 1.517 -2.082 7.060 1.00 0.00 H new ATOM 0 HD21 LEU B 645 2.780 -3.925 4.938 1.00 0.00 H new ATOM 0 HD22 LEU B 645 2.450 -4.371 6.629 1.00 0.00 H new ATOM 0 HD23 LEU B 645 1.795 -5.361 5.304 1.00 0.00 H new ATOM 1739 N ASN B 646 -3.031 -5.857 6.545 1.00 0.00 N ATOM 1740 CA ASN B 646 -4.181 -6.336 7.377 1.00 0.00 C ATOM 1741 C ASN B 646 -4.525 -7.787 7.024 1.00 0.00 C ATOM 1742 O ASN B 646 -5.263 -8.443 7.732 1.00 0.00 O ATOM 1743 CB ASN B 646 -5.399 -5.447 7.125 1.00 0.00 C ATOM 1744 CG ASN B 646 -6.567 -5.925 7.989 1.00 0.00 C ATOM 1745 OD1 ASN B 646 -6.531 -5.810 9.198 1.00 0.00 O ATOM 1746 ND2 ASN B 646 -7.610 -6.461 7.416 1.00 0.00 N ATOM 0 H ASN B 646 -3.286 -5.439 5.650 1.00 0.00 H new ATOM 0 HA ASN B 646 -3.900 -6.286 8.429 1.00 0.00 H new ATOM 0 HB2 ASN B 646 -5.160 -4.410 7.359 1.00 0.00 H new ATOM 0 HB3 ASN B 646 -5.675 -5.480 6.071 1.00 0.00 H new ATOM 0 HD21 ASN B 646 -8.394 -6.783 7.983 1.00 0.00 H new ATOM 0 HD22 ASN B 646 -7.641 -6.558 6.401 1.00 0.00 H new ATOM 1753 N LYS B 647 -3.999 -8.302 5.944 1.00 0.00 N ATOM 1754 CA LYS B 647 -4.303 -9.719 5.568 1.00 0.00 C ATOM 1755 C LYS B 647 -3.274 -10.647 6.222 1.00 0.00 C ATOM 1756 O LYS B 647 -3.368 -11.855 6.128 1.00 0.00 O ATOM 1757 CB LYS B 647 -4.239 -9.871 4.040 1.00 0.00 C ATOM 1758 CG LYS B 647 -5.570 -9.436 3.416 1.00 0.00 C ATOM 1759 CD LYS B 647 -5.510 -9.629 1.899 1.00 0.00 C ATOM 1760 CE LYS B 647 -6.900 -9.404 1.301 1.00 0.00 C ATOM 1761 NZ LYS B 647 -7.495 -8.168 1.880 1.00 0.00 N ATOM 0 H LYS B 647 -3.375 -7.807 5.307 1.00 0.00 H new ATOM 0 HA LYS B 647 -5.303 -9.983 5.913 1.00 0.00 H new ATOM 0 HB2 LYS B 647 -3.425 -9.267 3.640 1.00 0.00 H new ATOM 0 HB3 LYS B 647 -4.026 -10.907 3.778 1.00 0.00 H new ATOM 0 HG2 LYS B 647 -6.389 -10.021 3.836 1.00 0.00 H new ATOM 0 HG3 LYS B 647 -5.770 -8.391 3.653 1.00 0.00 H new ATOM 0 HD2 LYS B 647 -4.797 -8.931 1.461 1.00 0.00 H new ATOM 0 HD3 LYS B 647 -5.159 -10.634 1.663 1.00 0.00 H new ATOM 0 HE2 LYS B 647 -6.831 -9.314 0.217 1.00 0.00 H new ATOM 0 HE3 LYS B 647 -7.540 -10.261 1.510 1.00 0.00 H new ATOM 0 HZ1 LYS B 647 -8.107 -7.713 1.173 1.00 0.00 H new ATOM 0 HZ2 LYS B 647 -8.058 -8.414 2.719 1.00 0.00 H new ATOM 0 HZ3 LYS B 647 -6.735 -7.512 2.153 1.00 0.00 H new ATOM 1775 N HIS B 648 -2.290 -10.087 6.883 1.00 0.00 N ATOM 1776 CA HIS B 648 -1.236 -10.919 7.550 1.00 0.00 C ATOM 1777 C HIS B 648 -1.350 -10.770 9.069 1.00 0.00 C ATOM 1778 O HIS B 648 -0.424 -11.064 9.800 1.00 0.00 O ATOM 1779 CB HIS B 648 0.143 -10.439 7.097 1.00 0.00 C ATOM 1780 CG HIS B 648 0.331 -10.757 5.639 1.00 0.00 C ATOM 1781 ND1 HIS B 648 -0.493 -11.643 4.963 1.00 0.00 N ATOM 1782 CD2 HIS B 648 1.246 -10.316 4.715 1.00 0.00 C ATOM 1783 CE1 HIS B 648 -0.062 -11.706 3.690 1.00 0.00 C ATOM 1784 NE2 HIS B 648 0.995 -10.916 3.484 1.00 0.00 N ATOM 0 H HIS B 648 -2.170 -9.080 6.991 1.00 0.00 H new ATOM 0 HA HIS B 648 -1.371 -11.966 7.278 1.00 0.00 H new ATOM 0 HB2 HIS B 648 0.238 -9.366 7.261 1.00 0.00 H new ATOM 0 HB3 HIS B 648 0.920 -10.922 7.689 1.00 0.00 H new ATOM 0 HD2 HIS B 648 2.040 -9.611 4.913 1.00 0.00 H new ATOM 0 HE1 HIS B 648 -0.516 -12.321 2.927 1.00 0.00 H new ATOM 0 HE2 HIS B 648 1.508 -10.781 2.613 1.00 0.00 H new ATOM 1792 N MET B 649 -2.478 -10.320 9.554 1.00 0.00 N ATOM 1793 CA MET B 649 -2.655 -10.156 11.030 1.00 0.00 C ATOM 1794 C MET B 649 -3.359 -11.390 11.596 1.00 0.00 C ATOM 1795 O MET B 649 -4.444 -11.745 11.181 1.00 0.00 O ATOM 1796 CB MET B 649 -3.505 -8.914 11.308 1.00 0.00 C ATOM 1797 CG MET B 649 -2.698 -7.658 10.981 1.00 0.00 C ATOM 1798 SD MET B 649 -3.629 -6.192 11.490 1.00 0.00 S ATOM 1799 CE MET B 649 -2.262 -5.009 11.390 1.00 0.00 C ATOM 0 H MET B 649 -3.287 -10.058 8.991 1.00 0.00 H new ATOM 0 HA MET B 649 -1.680 -10.042 11.503 1.00 0.00 H new ATOM 0 HB2 MET B 649 -4.414 -8.941 10.707 1.00 0.00 H new ATOM 0 HB3 MET B 649 -3.814 -8.898 12.353 1.00 0.00 H new ATOM 0 HG2 MET B 649 -1.736 -7.687 11.494 1.00 0.00 H new ATOM 0 HG3 MET B 649 -2.488 -7.616 9.912 1.00 0.00 H new ATOM 0 HE1 MET B 649 -2.618 -4.017 11.668 1.00 0.00 H new ATOM 0 HE2 MET B 649 -1.467 -5.313 12.071 1.00 0.00 H new ATOM 0 HE3 MET B 649 -1.877 -4.983 10.371 1.00 0.00 H new ATOM 1809 N ASN B 650 -2.748 -12.049 12.544 1.00 0.00 N ATOM 1810 CA ASN B 650 -3.378 -13.261 13.139 1.00 0.00 C ATOM 1811 C ASN B 650 -4.714 -12.879 13.779 1.00 0.00 C ATOM 1812 O ASN B 650 -4.721 -11.967 14.589 1.00 0.00 O ATOM 1813 CB ASN B 650 -2.449 -13.845 14.206 1.00 0.00 C ATOM 1814 CG ASN B 650 -3.092 -15.091 14.818 1.00 0.00 C ATOM 1815 OD1 ASN B 650 -2.738 -15.498 15.906 1.00 0.00 O ATOM 1816 ND2 ASN B 650 -4.029 -15.717 14.160 1.00 0.00 N ATOM 1817 OXT ASN B 650 -5.708 -13.506 13.448 1.00 0.00 O ATOM 0 H ASN B 650 -1.838 -11.799 12.932 1.00 0.00 H new ATOM 0 HA ASN B 650 -3.548 -14.003 12.359 1.00 0.00 H new ATOM 0 HB2 ASN B 650 -1.486 -14.100 13.764 1.00 0.00 H new ATOM 0 HB3 ASN B 650 -2.258 -13.104 14.982 1.00 0.00 H new ATOM 0 HD21 ASN B 650 -4.464 -16.548 14.560 1.00 0.00 H new ATOM 0 HD22 ASN B 650 -4.326 -15.375 13.246 1.00 0.00 H new