USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 564 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 ASN : amide:sc= -0.0619 K(o=0.14,f=-7.2!) USER MOD Set 1.2: A 76 THR OG1 : rot 79:sc= 0.206 USER MOD Single : A 33 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.33) USER MOD Single : A 42 ASN : amide:sc= -0.353 X(o=-0.35,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.623 K(o=-0.62,f=-4.7!) USER MOD Single : A 51 LYS NZ :NH3+ 141:sc= 1.51 (180deg=-0.262) USER MOD Single : A 54 THR OG1 : rot -124:sc= 1.26 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.45 X(o=-0.45,f=-0.057) USER MOD Single : A 73 ASN : amide:sc= -0.464 X(o=-0.46,f=-0.46) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -147:sc=-0.00552 USER MOD Single : A 85 CYS SG : rot -113:sc= -1.01 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HE2:sc= -2.01 K(o=-2,f=-2.8!) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= 0.0426 K(o=0.043,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 367 N LEU A 29 8.466 -9.372 6.303 1.00 0.00 N ATOM 368 CA LEU A 29 9.026 -8.155 6.878 1.00 0.00 C ATOM 369 C LEU A 29 9.639 -8.431 8.248 1.00 0.00 C ATOM 370 O LEU A 29 9.518 -7.622 9.168 1.00 0.00 O ATOM 371 CB LEU A 29 7.945 -7.079 6.997 1.00 0.00 C ATOM 372 CG LEU A 29 7.534 -6.424 5.677 1.00 0.00 C ATOM 373 CD1 LEU A 29 6.048 -6.104 5.678 1.00 0.00 C ATOM 374 CD2 LEU A 29 8.352 -5.164 5.432 1.00 0.00 C ATOM 0 HA LEU A 29 9.813 -7.798 6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.061 -7.523 7.455 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.300 -6.303 7.675 1.00 0.00 H new ATOM 0 HG LEU A 29 7.732 -7.127 4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.775 -5.639 4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.478 -7.024 5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.824 -5.420 6.496 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.047 -4.710 4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.185 -4.458 6.245 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.410 -5.421 5.386 1.00 0.00 H new ATOM 386 N PHE A 30 10.297 -9.578 8.376 1.00 0.00 N ATOM 387 CA PHE A 30 10.928 -9.961 9.633 1.00 0.00 C ATOM 388 C PHE A 30 12.069 -9.010 9.983 1.00 0.00 C ATOM 389 O PHE A 30 12.387 -8.813 11.157 1.00 0.00 O ATOM 390 CB PHE A 30 11.453 -11.396 9.549 1.00 0.00 C ATOM 391 CG PHE A 30 11.845 -11.970 10.880 1.00 0.00 C ATOM 392 CD1 PHE A 30 10.879 -12.329 11.806 1.00 0.00 C ATOM 393 CD2 PHE A 30 13.179 -12.150 11.206 1.00 0.00 C ATOM 394 CE1 PHE A 30 11.236 -12.856 13.032 1.00 0.00 C ATOM 395 CE2 PHE A 30 13.543 -12.677 12.431 1.00 0.00 C ATOM 396 CZ PHE A 30 12.570 -13.031 13.345 1.00 0.00 C ATOM 0 H PHE A 30 10.407 -10.259 7.624 1.00 0.00 H new ATOM 0 HA PHE A 30 10.176 -9.902 10.420 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.687 -12.029 9.101 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.316 -11.420 8.884 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.834 -12.195 11.566 1.00 0.00 H new ATOM 0 HD2 PHE A 30 13.944 -11.875 10.495 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.473 -13.131 13.745 1.00 0.00 H new ATOM 0 HE2 PHE A 30 14.587 -12.812 12.673 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.852 -13.444 14.302 1.00 0.00 H new ATOM 406 N ASP A 31 12.683 -8.424 8.960 1.00 0.00 N ATOM 407 CA ASP A 31 13.788 -7.494 9.162 1.00 0.00 C ATOM 408 C ASP A 31 13.302 -6.050 9.113 1.00 0.00 C ATOM 409 O ASP A 31 14.029 -5.154 8.680 1.00 0.00 O ATOM 410 CB ASP A 31 14.869 -7.718 8.104 1.00 0.00 C ATOM 411 CG ASP A 31 15.236 -9.182 7.951 1.00 0.00 C ATOM 412 OD1 ASP A 31 15.187 -9.914 8.961 1.00 0.00 O ATOM 413 OD2 ASP A 31 15.570 -9.595 6.821 1.00 0.00 O ATOM 0 H ASP A 31 12.434 -8.577 7.983 1.00 0.00 H new ATOM 0 HA ASP A 31 14.211 -7.681 10.149 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.521 -7.332 7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.759 -7.149 8.373 1.00 0.00 H new ATOM 418 N PHE A 32 12.069 -5.828 9.558 1.00 0.00 N ATOM 419 CA PHE A 32 11.488 -4.491 9.564 1.00 0.00 C ATOM 420 C PHE A 32 10.841 -4.186 10.911 1.00 0.00 C ATOM 421 O PHE A 32 10.092 -5.000 11.450 1.00 0.00 O ATOM 422 CB PHE A 32 10.452 -4.357 8.446 1.00 0.00 C ATOM 423 CG PHE A 32 11.028 -3.866 7.149 1.00 0.00 C ATOM 424 CD1 PHE A 32 11.761 -4.717 6.336 1.00 0.00 C ATOM 425 CD2 PHE A 32 10.837 -2.556 6.743 1.00 0.00 C ATOM 426 CE1 PHE A 32 12.292 -4.269 5.142 1.00 0.00 C ATOM 427 CE2 PHE A 32 11.366 -2.102 5.549 1.00 0.00 C ATOM 428 CZ PHE A 32 12.095 -2.960 4.747 1.00 0.00 C ATOM 0 H PHE A 32 11.454 -6.557 9.919 1.00 0.00 H new ATOM 0 HA PHE A 32 12.290 -3.773 9.395 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.980 -5.326 8.281 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.668 -3.672 8.768 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.919 -5.741 6.640 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.268 -1.881 7.366 1.00 0.00 H new ATOM 0 HE1 PHE A 32 12.861 -4.942 4.518 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.210 -1.078 5.243 1.00 0.00 H new ATOM 0 HZ PHE A 32 12.510 -2.608 3.814 1.00 0.00 H new ATOM 438 N HIS A 33 11.136 -3.007 11.450 1.00 0.00 N ATOM 439 CA HIS A 33 10.583 -2.596 12.736 1.00 0.00 C ATOM 440 C HIS A 33 9.445 -1.599 12.544 1.00 0.00 C ATOM 441 O HIS A 33 9.316 -0.985 11.484 1.00 0.00 O ATOM 442 CB HIS A 33 11.676 -1.979 13.610 1.00 0.00 C ATOM 443 CG HIS A 33 12.499 -2.993 14.341 1.00 0.00 C ATOM 444 ND1 HIS A 33 12.001 -4.180 14.829 1.00 0.00 N ATOM 445 CD2 HIS A 33 13.819 -2.980 14.664 1.00 0.00 C ATOM 446 CE1 HIS A 33 13.007 -4.836 15.422 1.00 0.00 C ATOM 447 NE2 HIS A 33 14.133 -4.151 15.349 1.00 0.00 N ATOM 0 H HIS A 33 11.754 -2.320 11.017 1.00 0.00 H new ATOM 0 HA HIS A 33 10.186 -3.481 13.234 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.332 -1.373 12.984 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.215 -1.307 14.334 1.00 0.00 H new ATOM 0 HD2 HIS A 33 14.514 -2.188 14.427 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.910 -5.800 15.898 1.00 0.00 H new ATOM 0 HE2 HIS A 33 15.044 -4.423 15.718 1.00 0.00 H new ATOM 455 N ILE A 34 8.622 -1.443 13.575 1.00 0.00 N ATOM 456 CA ILE A 34 7.494 -0.521 13.521 1.00 0.00 C ATOM 457 C ILE A 34 7.892 0.865 14.018 1.00 0.00 C ATOM 458 O ILE A 34 8.464 1.007 15.099 1.00 0.00 O ATOM 459 CB ILE A 34 6.308 -1.034 14.361 1.00 0.00 C ATOM 460 CG1 ILE A 34 6.013 -2.497 14.027 1.00 0.00 C ATOM 461 CG2 ILE A 34 5.078 -0.172 14.123 1.00 0.00 C ATOM 462 CD1 ILE A 34 5.651 -2.724 12.575 1.00 0.00 C ATOM 0 H ILE A 34 8.715 -1.944 14.459 1.00 0.00 H new ATOM 0 HA ILE A 34 7.189 -0.456 12.477 1.00 0.00 H new ATOM 0 HB ILE A 34 6.574 -0.969 15.416 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.886 -3.101 14.274 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.195 -2.847 14.656 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.249 -0.547 14.723 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.295 0.858 14.407 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.807 -0.208 13.068 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.455 -3.783 12.410 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.760 -2.147 12.328 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.477 -2.405 11.940 1.00 0.00 H new ATOM 474 N GLY A 35 7.583 1.884 13.223 1.00 0.00 N ATOM 475 CA GLY A 35 7.915 3.245 13.600 1.00 0.00 C ATOM 476 C GLY A 35 9.168 3.749 12.912 1.00 0.00 C ATOM 477 O GLY A 35 9.878 4.600 13.447 1.00 0.00 O ATOM 0 H GLY A 35 7.109 1.791 12.325 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.080 3.901 13.353 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.052 3.296 14.680 1.00 0.00 H new ATOM 481 N ASP A 36 9.440 3.222 11.722 1.00 0.00 N ATOM 482 CA ASP A 36 10.616 3.623 10.960 1.00 0.00 C ATOM 483 C ASP A 36 10.218 4.169 9.592 1.00 0.00 C ATOM 484 O ASP A 36 9.178 3.801 9.046 1.00 0.00 O ATOM 485 CB ASP A 36 11.569 2.438 10.790 1.00 0.00 C ATOM 486 CG ASP A 36 12.909 2.851 10.214 1.00 0.00 C ATOM 487 OD1 ASP A 36 13.675 3.536 10.924 1.00 0.00 O ATOM 488 OD2 ASP A 36 13.193 2.490 9.053 1.00 0.00 O ATOM 0 H ASP A 36 8.862 2.517 11.265 1.00 0.00 H new ATOM 0 HA ASP A 36 11.124 4.413 11.514 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.724 1.959 11.757 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.109 1.696 10.137 1.00 0.00 H new ATOM 493 N ARG A 37 11.051 5.048 9.045 1.00 0.00 N ATOM 494 CA ARG A 37 10.785 5.644 7.741 1.00 0.00 C ATOM 495 C ARG A 37 10.875 4.598 6.634 1.00 0.00 C ATOM 496 O ARG A 37 11.948 4.060 6.360 1.00 0.00 O ATOM 497 CB ARG A 37 11.772 6.780 7.466 1.00 0.00 C ATOM 498 CG ARG A 37 11.559 7.998 8.349 1.00 0.00 C ATOM 499 CD ARG A 37 12.443 9.159 7.920 1.00 0.00 C ATOM 500 NE ARG A 37 11.994 9.753 6.664 1.00 0.00 N ATOM 501 CZ ARG A 37 10.873 10.461 6.536 1.00 0.00 C ATOM 502 NH1 ARG A 37 10.086 10.663 7.586 1.00 0.00 N ATOM 503 NH2 ARG A 37 10.539 10.967 5.358 1.00 0.00 N ATOM 0 H ARG A 37 11.916 5.363 9.484 1.00 0.00 H new ATOM 0 HA ARG A 37 9.772 6.046 7.754 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.787 6.411 7.610 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.687 7.079 6.421 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.513 8.301 8.307 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.774 7.739 9.386 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.446 9.920 8.700 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.470 8.811 7.810 1.00 0.00 H new ATOM 0 HE ARG A 37 12.573 9.618 5.835 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.339 10.275 8.495 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.228 11.206 7.484 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.140 10.814 4.548 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.680 11.509 5.261 1.00 0.00 H new ATOM 517 N VAL A 38 9.741 4.317 6.000 1.00 0.00 N ATOM 518 CA VAL A 38 9.692 3.335 4.922 1.00 0.00 C ATOM 519 C VAL A 38 9.146 3.955 3.640 1.00 0.00 C ATOM 520 O VAL A 38 8.316 4.863 3.681 1.00 0.00 O ATOM 521 CB VAL A 38 8.821 2.124 5.303 1.00 0.00 C ATOM 522 CG1 VAL A 38 9.517 1.272 6.352 1.00 0.00 C ATOM 523 CG2 VAL A 38 7.456 2.581 5.796 1.00 0.00 C ATOM 0 H VAL A 38 8.845 4.755 6.214 1.00 0.00 H new ATOM 0 HA VAL A 38 10.715 2.998 4.755 1.00 0.00 H new ATOM 0 HB VAL A 38 8.674 1.513 4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.885 0.421 6.608 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.467 0.912 5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.699 1.870 7.245 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.855 1.711 6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.580 3.217 6.673 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.954 3.143 5.008 1.00 0.00 H new ATOM 533 N LEU A 39 9.619 3.458 2.501 1.00 0.00 N ATOM 534 CA LEU A 39 9.178 3.963 1.206 1.00 0.00 C ATOM 535 C LEU A 39 8.335 2.923 0.476 1.00 0.00 C ATOM 536 O LEU A 39 8.729 1.763 0.354 1.00 0.00 O ATOM 537 CB LEU A 39 10.385 4.350 0.348 1.00 0.00 C ATOM 538 CG LEU A 39 10.167 5.552 -0.573 1.00 0.00 C ATOM 539 CD1 LEU A 39 9.679 6.754 0.221 1.00 0.00 C ATOM 540 CD2 LEU A 39 11.450 5.887 -1.320 1.00 0.00 C ATOM 0 H LEU A 39 10.307 2.707 2.449 1.00 0.00 H new ATOM 0 HA LEU A 39 8.564 4.847 1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.226 4.565 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.668 3.492 -0.261 1.00 0.00 H new ATOM 0 HG LEU A 39 9.400 5.293 -1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.530 7.598 -0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.736 6.509 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.421 7.017 0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.279 6.744 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.236 6.127 -0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.755 5.030 -1.921 1.00 0.00 H new ATOM 552 N ILE A 40 7.169 3.344 -0.008 1.00 0.00 N ATOM 553 CA ILE A 40 6.271 2.447 -0.724 1.00 0.00 C ATOM 554 C ILE A 40 6.460 2.567 -2.232 1.00 0.00 C ATOM 555 O ILE A 40 6.083 3.571 -2.837 1.00 0.00 O ATOM 556 CB ILE A 40 4.798 2.733 -0.379 1.00 0.00 C ATOM 557 CG1 ILE A 40 4.615 2.826 1.137 1.00 0.00 C ATOM 558 CG2 ILE A 40 3.898 1.653 -0.961 1.00 0.00 C ATOM 559 CD1 ILE A 40 3.275 3.395 1.551 1.00 0.00 C ATOM 0 H ILE A 40 6.826 4.300 0.083 1.00 0.00 H new ATOM 0 HA ILE A 40 6.520 1.434 -0.409 1.00 0.00 H new ATOM 0 HB ILE A 40 4.517 3.690 -0.819 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.728 1.832 1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.408 3.447 1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.860 1.869 -0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.011 1.631 -2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.178 0.684 -0.547 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.216 3.431 2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.167 4.402 1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.476 2.762 1.165 1.00 0.00 H new ATOM 571 N GLY A 41 7.046 1.537 -2.833 1.00 0.00 N ATOM 572 CA GLY A 41 7.276 1.545 -4.265 1.00 0.00 C ATOM 573 C GLY A 41 8.194 2.669 -4.705 1.00 0.00 C ATOM 574 O GLY A 41 8.175 3.076 -5.867 1.00 0.00 O ATOM 0 H GLY A 41 7.366 0.696 -2.353 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.708 0.590 -4.565 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.321 1.639 -4.782 1.00 0.00 H new ATOM 578 N ASN A 42 9.002 3.174 -3.776 1.00 0.00 N ATOM 579 CA ASN A 42 9.932 4.256 -4.078 1.00 0.00 C ATOM 580 C ASN A 42 9.195 5.467 -4.647 1.00 0.00 C ATOM 581 O ASN A 42 9.553 5.984 -5.706 1.00 0.00 O ATOM 582 CB ASN A 42 10.999 3.780 -5.065 1.00 0.00 C ATOM 583 CG ASN A 42 12.126 3.030 -4.382 1.00 0.00 C ATOM 584 OD1 ASN A 42 13.290 3.418 -4.472 1.00 0.00 O ATOM 585 ND2 ASN A 42 11.783 1.948 -3.694 1.00 0.00 N ATOM 0 H ASN A 42 9.031 2.851 -2.809 1.00 0.00 H new ATOM 0 HA ASN A 42 10.417 4.555 -3.148 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.537 3.134 -5.812 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.408 4.640 -5.596 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.498 1.402 -3.213 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.805 1.663 -3.646 1.00 0.00 H new ATOM 592 N VAL A 43 8.164 5.912 -3.937 1.00 0.00 N ATOM 593 CA VAL A 43 7.378 7.061 -4.370 1.00 0.00 C ATOM 594 C VAL A 43 6.535 7.614 -3.226 1.00 0.00 C ATOM 595 O VAL A 43 6.446 8.828 -3.038 1.00 0.00 O ATOM 596 CB VAL A 43 6.454 6.693 -5.549 1.00 0.00 C ATOM 597 CG1 VAL A 43 5.470 5.607 -5.143 1.00 0.00 C ATOM 598 CG2 VAL A 43 5.719 7.925 -6.059 1.00 0.00 C ATOM 0 H VAL A 43 7.853 5.495 -3.060 1.00 0.00 H new ATOM 0 HA VAL A 43 8.083 7.825 -4.696 1.00 0.00 H new ATOM 0 HB VAL A 43 7.071 6.305 -6.359 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.828 5.363 -5.989 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.018 4.717 -4.834 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.858 5.962 -4.314 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.072 7.645 -6.891 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.115 8.347 -5.256 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.443 8.667 -6.396 1.00 0.00 H new ATOM 608 N GLN A 44 5.916 6.718 -2.465 1.00 0.00 N ATOM 609 CA GLN A 44 5.078 7.119 -1.340 1.00 0.00 C ATOM 610 C GLN A 44 5.815 6.928 -0.014 1.00 0.00 C ATOM 611 O GLN A 44 5.887 5.816 0.508 1.00 0.00 O ATOM 612 CB GLN A 44 3.780 6.310 -1.335 1.00 0.00 C ATOM 613 CG GLN A 44 2.649 6.972 -2.103 1.00 0.00 C ATOM 614 CD GLN A 44 1.281 6.550 -1.605 1.00 0.00 C ATOM 615 OE1 GLN A 44 1.161 5.664 -0.761 1.00 0.00 O ATOM 616 NE2 GLN A 44 0.239 7.186 -2.129 1.00 0.00 N ATOM 0 H GLN A 44 5.978 5.710 -2.606 1.00 0.00 H new ATOM 0 HA GLN A 44 4.841 8.177 -1.453 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.973 5.327 -1.764 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.464 6.152 -0.304 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.744 8.055 -2.020 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.739 6.724 -3.161 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.385 7.915 -2.827 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.707 6.945 -1.833 1.00 0.00 H new ATOM 625 N PRO A 45 6.374 8.014 0.550 1.00 0.00 N ATOM 626 CA PRO A 45 7.103 7.955 1.819 1.00 0.00 C ATOM 627 C PRO A 45 6.167 7.852 3.019 1.00 0.00 C ATOM 628 O PRO A 45 5.011 8.269 2.954 1.00 0.00 O ATOM 629 CB PRO A 45 7.863 9.279 1.845 1.00 0.00 C ATOM 630 CG PRO A 45 7.010 10.215 1.061 1.00 0.00 C ATOM 631 CD PRO A 45 6.340 9.383 -0.003 1.00 0.00 C ATOM 0 HA PRO A 45 7.745 7.076 1.885 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.007 9.634 2.866 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.853 9.177 1.400 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.271 10.697 1.701 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.610 11.008 0.615 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.318 9.715 -0.187 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.871 9.444 -0.953 1.00 0.00 H new ATOM 639 N GLY A 46 6.674 7.295 4.113 1.00 0.00 N ATOM 640 CA GLY A 46 5.869 7.149 5.312 1.00 0.00 C ATOM 641 C GLY A 46 6.575 6.358 6.394 1.00 0.00 C ATOM 642 O GLY A 46 7.784 6.131 6.318 1.00 0.00 O ATOM 0 H GLY A 46 7.628 6.942 4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.614 8.137 5.697 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.932 6.654 5.058 1.00 0.00 H new ATOM 646 N ILE A 47 5.822 5.938 7.405 1.00 0.00 N ATOM 647 CA ILE A 47 6.383 5.168 8.509 1.00 0.00 C ATOM 648 C ILE A 47 5.656 3.838 8.675 1.00 0.00 C ATOM 649 O ILE A 47 4.429 3.778 8.614 1.00 0.00 O ATOM 650 CB ILE A 47 6.309 5.950 9.834 1.00 0.00 C ATOM 651 CG1 ILE A 47 6.838 7.373 9.644 1.00 0.00 C ATOM 652 CG2 ILE A 47 7.093 5.228 10.919 1.00 0.00 C ATOM 653 CD1 ILE A 47 5.748 8.397 9.408 1.00 0.00 C ATOM 0 H ILE A 47 4.821 6.118 7.483 1.00 0.00 H new ATOM 0 HA ILE A 47 7.429 4.980 8.265 1.00 0.00 H new ATOM 0 HB ILE A 47 5.266 6.010 10.145 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.410 7.660 10.526 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.527 7.386 8.799 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.031 5.793 11.849 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.674 4.233 11.070 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.136 5.140 10.616 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.196 9.383 9.282 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.190 8.134 8.509 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.072 8.412 10.263 1.00 0.00 H new ATOM 665 N LEU A 48 6.423 2.774 8.886 1.00 0.00 N ATOM 666 CA LEU A 48 5.853 1.443 9.063 1.00 0.00 C ATOM 667 C LEU A 48 5.098 1.345 10.384 1.00 0.00 C ATOM 668 O LEU A 48 5.703 1.340 11.456 1.00 0.00 O ATOM 669 CB LEU A 48 6.954 0.382 9.010 1.00 0.00 C ATOM 670 CG LEU A 48 6.460 -1.065 9.006 1.00 0.00 C ATOM 671 CD1 LEU A 48 5.595 -1.330 7.784 1.00 0.00 C ATOM 672 CD2 LEU A 48 7.636 -2.029 9.049 1.00 0.00 C ATOM 0 H LEU A 48 7.441 2.807 8.939 1.00 0.00 H new ATOM 0 HA LEU A 48 5.149 1.266 8.250 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.554 0.547 8.115 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.614 0.522 9.866 1.00 0.00 H new ATOM 0 HG LEU A 48 5.852 -1.224 9.897 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.253 -2.365 7.798 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.733 -0.662 7.796 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.178 -1.153 6.880 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.266 -3.054 9.046 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.270 -1.869 8.177 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.216 -1.855 9.956 1.00 0.00 H new ATOM 684 N ARG A 49 3.774 1.267 10.300 1.00 0.00 N ATOM 685 CA ARG A 49 2.937 1.170 11.490 1.00 0.00 C ATOM 686 C ARG A 49 2.457 -0.263 11.703 1.00 0.00 C ATOM 687 O ARG A 49 2.259 -0.699 12.837 1.00 0.00 O ATOM 688 CB ARG A 49 1.736 2.109 11.372 1.00 0.00 C ATOM 689 CG ARG A 49 2.114 3.580 11.323 1.00 0.00 C ATOM 690 CD ARG A 49 2.821 4.016 12.598 1.00 0.00 C ATOM 691 NE ARG A 49 1.974 3.856 13.777 1.00 0.00 N ATOM 692 CZ ARG A 49 0.922 4.627 14.044 1.00 0.00 C ATOM 693 NH1 ARG A 49 0.584 5.609 13.218 1.00 0.00 N ATOM 694 NH2 ARG A 49 0.207 4.415 15.140 1.00 0.00 N ATOM 0 H ARG A 49 3.258 1.269 9.420 1.00 0.00 H new ATOM 0 HA ARG A 49 3.537 1.465 12.351 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.176 1.857 10.472 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.071 1.942 12.219 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.762 3.762 10.466 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.217 4.183 11.178 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.732 3.432 12.725 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.122 5.060 12.507 1.00 0.00 H new ATOM 0 HE ARG A 49 2.202 3.110 14.434 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.131 5.776 12.374 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.223 6.197 13.428 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.463 3.662 15.778 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.599 5.005 15.345 1.00 0.00 H new ATOM 708 N PHE A 50 2.269 -0.989 10.606 1.00 0.00 N ATOM 709 CA PHE A 50 1.811 -2.371 10.673 1.00 0.00 C ATOM 710 C PHE A 50 2.515 -3.230 9.627 1.00 0.00 C ATOM 711 O PHE A 50 3.099 -2.712 8.675 1.00 0.00 O ATOM 712 CB PHE A 50 0.296 -2.437 10.467 1.00 0.00 C ATOM 713 CG PHE A 50 -0.271 -3.820 10.607 1.00 0.00 C ATOM 714 CD1 PHE A 50 -0.457 -4.383 11.859 1.00 0.00 C ATOM 715 CD2 PHE A 50 -0.619 -4.557 9.485 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.980 -5.656 11.990 1.00 0.00 C ATOM 717 CE2 PHE A 50 -1.142 -5.829 9.610 1.00 0.00 C ATOM 718 CZ PHE A 50 -1.323 -6.380 10.864 1.00 0.00 C ATOM 0 H PHE A 50 2.427 -0.643 9.660 1.00 0.00 H new ATOM 0 HA PHE A 50 2.055 -2.761 11.661 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.189 -1.780 11.189 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.056 -2.054 9.475 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.191 -3.821 12.742 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.479 -4.131 8.502 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.120 -6.084 12.971 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.409 -6.393 8.728 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.732 -7.375 10.964 1.00 0.00 H new ATOM 728 N LYS A 51 2.457 -4.545 9.811 1.00 0.00 N ATOM 729 CA LYS A 51 3.089 -5.475 8.883 1.00 0.00 C ATOM 730 C LYS A 51 2.756 -6.919 9.250 1.00 0.00 C ATOM 731 O LYS A 51 3.355 -7.492 10.161 1.00 0.00 O ATOM 732 CB LYS A 51 4.605 -5.275 8.879 1.00 0.00 C ATOM 733 CG LYS A 51 5.225 -5.286 10.267 1.00 0.00 C ATOM 734 CD LYS A 51 6.421 -6.224 10.339 1.00 0.00 C ATOM 735 CE LYS A 51 7.342 -5.863 11.493 1.00 0.00 C ATOM 736 NZ LYS A 51 8.365 -6.917 11.737 1.00 0.00 N ATOM 0 H LYS A 51 1.979 -4.990 10.594 1.00 0.00 H new ATOM 0 HA LYS A 51 2.701 -5.273 7.885 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.065 -6.060 8.279 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.836 -4.326 8.395 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.537 -4.277 10.535 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.477 -5.593 10.998 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.073 -7.250 10.457 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.976 -6.181 9.402 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.839 -4.917 11.278 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.751 -5.715 12.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.274 -6.470 11.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.060 -7.521 12.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.477 -7.497 10.881 1.00 0.00 H new ATOM 750 N GLY A 52 1.799 -7.499 8.535 1.00 0.00 N ATOM 751 CA GLY A 52 1.403 -8.871 8.799 1.00 0.00 C ATOM 752 C GLY A 52 0.174 -9.282 8.014 1.00 0.00 C ATOM 753 O GLY A 52 -0.345 -8.506 7.211 1.00 0.00 O ATOM 0 H GLY A 52 1.290 -7.044 7.777 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.228 -9.538 8.551 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.206 -8.990 9.864 1.00 0.00 H new ATOM 757 N GLU A 53 -0.293 -10.505 8.245 1.00 0.00 N ATOM 758 CA GLU A 53 -1.469 -11.017 7.552 1.00 0.00 C ATOM 759 C GLU A 53 -2.723 -10.262 7.978 1.00 0.00 C ATOM 760 O GLU A 53 -2.805 -9.753 9.095 1.00 0.00 O ATOM 761 CB GLU A 53 -1.640 -12.511 7.831 1.00 0.00 C ATOM 762 CG GLU A 53 -0.478 -13.359 7.339 1.00 0.00 C ATOM 763 CD GLU A 53 -0.125 -14.477 8.300 1.00 0.00 C ATOM 764 OE1 GLU A 53 -1.052 -15.165 8.778 1.00 0.00 O ATOM 765 OE2 GLU A 53 1.078 -14.665 8.575 1.00 0.00 O ATOM 0 H GLU A 53 0.125 -11.159 8.907 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.323 -10.868 6.482 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.759 -12.660 8.904 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.558 -12.858 7.357 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.730 -13.785 6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.395 -12.723 7.191 1.00 0.00 H new ATOM 772 N THR A 54 -3.699 -10.191 7.078 1.00 0.00 N ATOM 773 CA THR A 54 -4.950 -9.497 7.360 1.00 0.00 C ATOM 774 C THR A 54 -6.126 -10.470 7.350 1.00 0.00 C ATOM 775 O THR A 54 -5.948 -11.670 7.147 1.00 0.00 O ATOM 776 CB THR A 54 -5.185 -8.386 6.334 1.00 0.00 C ATOM 777 OG1 THR A 54 -5.018 -8.879 5.017 1.00 0.00 O ATOM 778 CG2 THR A 54 -4.251 -7.207 6.506 1.00 0.00 C ATOM 0 H THR A 54 -3.647 -10.606 6.148 1.00 0.00 H new ATOM 0 HA THR A 54 -4.875 -9.055 8.353 1.00 0.00 H new ATOM 0 HB THR A 54 -6.207 -8.046 6.502 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.343 -8.344 4.551 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.470 -6.455 5.748 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.390 -6.774 7.497 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.219 -7.541 6.398 1.00 0.00 H new ATOM 786 N SER A 55 -7.326 -9.942 7.571 1.00 0.00 N ATOM 787 CA SER A 55 -8.530 -10.765 7.587 1.00 0.00 C ATOM 788 C SER A 55 -9.299 -10.630 6.277 1.00 0.00 C ATOM 789 O SER A 55 -9.940 -11.576 5.822 1.00 0.00 O ATOM 790 CB SER A 55 -9.427 -10.369 8.761 1.00 0.00 C ATOM 791 OG SER A 55 -10.275 -11.440 9.140 1.00 0.00 O ATOM 0 H SER A 55 -7.490 -8.950 7.741 1.00 0.00 H new ATOM 0 HA SER A 55 -8.227 -11.806 7.704 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.811 -10.072 9.609 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.030 -9.504 8.486 1.00 0.00 H new ATOM 0 HG SER A 55 -10.837 -11.162 9.893 1.00 0.00 H new ATOM 797 N PHE A 56 -9.230 -9.446 5.676 1.00 0.00 N ATOM 798 CA PHE A 56 -9.921 -9.187 4.418 1.00 0.00 C ATOM 799 C PHE A 56 -9.171 -9.815 3.247 1.00 0.00 C ATOM 800 O PHE A 56 -9.779 -10.258 2.273 1.00 0.00 O ATOM 801 CB PHE A 56 -10.069 -7.681 4.195 1.00 0.00 C ATOM 802 CG PHE A 56 -8.758 -6.948 4.155 1.00 0.00 C ATOM 803 CD1 PHE A 56 -8.069 -6.801 2.962 1.00 0.00 C ATOM 804 CD2 PHE A 56 -8.217 -6.407 5.309 1.00 0.00 C ATOM 805 CE1 PHE A 56 -6.863 -6.126 2.922 1.00 0.00 C ATOM 806 CE2 PHE A 56 -7.011 -5.732 5.275 1.00 0.00 C ATOM 807 CZ PHE A 56 -6.334 -5.592 4.080 1.00 0.00 C ATOM 0 H PHE A 56 -8.703 -8.652 6.040 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.912 -9.638 4.476 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.600 -7.511 3.258 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.686 -7.263 4.991 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.478 -7.218 2.054 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.743 -6.514 6.246 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.335 -6.017 1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.599 -5.315 6.182 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.392 -5.065 4.051 1.00 0.00 H new ATOM 817 N ALA A 57 -7.847 -9.849 3.350 1.00 0.00 N ATOM 818 CA ALA A 57 -7.013 -10.423 2.300 1.00 0.00 C ATOM 819 C ALA A 57 -5.980 -11.381 2.883 1.00 0.00 C ATOM 820 O ALA A 57 -5.957 -11.625 4.089 1.00 0.00 O ATOM 821 CB ALA A 57 -6.326 -9.317 1.511 1.00 0.00 C ATOM 0 H ALA A 57 -7.328 -9.486 4.150 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.655 -10.990 1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.706 -9.758 0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.079 -8.673 1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.700 -8.727 2.181 1.00 0.00 H new ATOM 827 N LYS A 58 -5.125 -11.920 2.019 1.00 0.00 N ATOM 828 CA LYS A 58 -4.088 -12.852 2.450 1.00 0.00 C ATOM 829 C LYS A 58 -2.700 -12.297 2.147 1.00 0.00 C ATOM 830 O LYS A 58 -2.535 -11.462 1.259 1.00 0.00 O ATOM 831 CB LYS A 58 -4.272 -14.207 1.766 1.00 0.00 C ATOM 832 CG LYS A 58 -4.351 -14.123 0.249 1.00 0.00 C ATOM 833 CD LYS A 58 -2.981 -13.887 -0.369 1.00 0.00 C ATOM 834 CE LYS A 58 -2.778 -14.735 -1.614 1.00 0.00 C ATOM 835 NZ LYS A 58 -1.344 -14.808 -2.007 1.00 0.00 N ATOM 0 H LYS A 58 -5.130 -11.728 1.017 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.179 -12.985 3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.443 -14.858 2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.182 -14.673 2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.775 -15.046 -0.146 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.024 -13.315 -0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.872 -12.833 -0.624 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.206 -14.120 0.361 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.157 -15.741 -1.434 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.359 -14.318 -2.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.247 -15.395 -2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.989 -13.851 -2.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.793 -15.230 -1.232 1.00 0.00 H new ATOM 849 N GLY A 59 -1.705 -12.768 2.892 1.00 0.00 N ATOM 850 CA GLY A 59 -0.344 -12.308 2.688 1.00 0.00 C ATOM 851 C GLY A 59 0.024 -11.162 3.611 1.00 0.00 C ATOM 852 O GLY A 59 -0.834 -10.614 4.303 1.00 0.00 O ATOM 0 H GLY A 59 -1.817 -13.460 3.633 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.345 -13.137 2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.222 -11.990 1.652 1.00 0.00 H new ATOM 856 N PHE A 60 1.302 -10.800 3.621 1.00 0.00 N ATOM 857 CA PHE A 60 1.781 -9.712 4.466 1.00 0.00 C ATOM 858 C PHE A 60 1.299 -8.363 3.941 1.00 0.00 C ATOM 859 O PHE A 60 1.393 -8.080 2.746 1.00 0.00 O ATOM 860 CB PHE A 60 3.309 -9.731 4.541 1.00 0.00 C ATOM 861 CG PHE A 60 3.840 -10.351 5.802 1.00 0.00 C ATOM 862 CD1 PHE A 60 3.762 -11.719 6.003 1.00 0.00 C ATOM 863 CD2 PHE A 60 4.416 -9.564 6.786 1.00 0.00 C ATOM 864 CE1 PHE A 60 4.249 -12.292 7.162 1.00 0.00 C ATOM 865 CE2 PHE A 60 4.905 -10.131 7.948 1.00 0.00 C ATOM 866 CZ PHE A 60 4.822 -11.498 8.135 1.00 0.00 C ATOM 0 H PHE A 60 2.025 -11.244 3.054 1.00 0.00 H new ATOM 0 HA PHE A 60 1.375 -9.856 5.467 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.700 -10.279 3.684 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.681 -8.710 4.463 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.315 -12.345 5.245 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.484 -8.496 6.644 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.181 -13.360 7.307 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.351 -9.507 8.708 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.205 -11.944 9.041 1.00 0.00 H new ATOM 876 N TRP A 61 0.783 -7.534 4.843 1.00 0.00 N ATOM 877 CA TRP A 61 0.287 -6.213 4.473 1.00 0.00 C ATOM 878 C TRP A 61 0.825 -5.147 5.421 1.00 0.00 C ATOM 879 O TRP A 61 0.399 -5.054 6.573 1.00 0.00 O ATOM 880 CB TRP A 61 -1.242 -6.197 4.484 1.00 0.00 C ATOM 881 CG TRP A 61 -1.854 -6.981 3.364 1.00 0.00 C ATOM 882 CD1 TRP A 61 -2.498 -8.181 3.460 1.00 0.00 C ATOM 883 CD2 TRP A 61 -1.879 -6.621 1.978 1.00 0.00 C ATOM 884 NE1 TRP A 61 -2.922 -8.589 2.218 1.00 0.00 N ATOM 885 CE2 TRP A 61 -2.555 -7.648 1.292 1.00 0.00 C ATOM 886 CE3 TRP A 61 -1.397 -5.530 1.251 1.00 0.00 C ATOM 887 CZ2 TRP A 61 -2.758 -7.616 -0.085 1.00 0.00 C ATOM 888 CZ3 TRP A 61 -1.600 -5.497 -0.116 1.00 0.00 C ATOM 889 CH2 TRP A 61 -2.276 -6.535 -0.772 1.00 0.00 C ATOM 0 H TRP A 61 0.697 -7.754 5.835 1.00 0.00 H new ATOM 0 HA TRP A 61 0.637 -5.989 3.465 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.595 -6.598 5.434 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.587 -5.165 4.426 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.652 -8.729 4.378 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.428 -9.452 2.018 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -0.875 -4.726 1.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.277 -8.415 -0.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -1.232 -4.658 -0.688 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -2.419 -6.481 -1.841 1.00 0.00 H new ATOM 900 N ALA A 62 1.763 -4.343 4.931 1.00 0.00 N ATOM 901 CA ALA A 62 2.359 -3.284 5.736 1.00 0.00 C ATOM 902 C ALA A 62 1.540 -2.001 5.650 1.00 0.00 C ATOM 903 O ALA A 62 1.264 -1.501 4.559 1.00 0.00 O ATOM 904 CB ALA A 62 3.792 -3.028 5.294 1.00 0.00 C ATOM 0 H ALA A 62 2.127 -4.405 3.980 1.00 0.00 H new ATOM 0 HA ALA A 62 2.364 -3.612 6.776 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.225 -2.235 5.904 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.378 -3.939 5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.801 -2.726 4.247 1.00 0.00 H new ATOM 910 N GLY A 63 1.154 -1.473 6.807 1.00 0.00 N ATOM 911 CA GLY A 63 0.371 -0.252 6.841 1.00 0.00 C ATOM 912 C GLY A 63 1.218 0.971 7.132 1.00 0.00 C ATOM 913 O GLY A 63 1.357 1.378 8.285 1.00 0.00 O ATOM 0 H GLY A 63 1.370 -1.869 7.722 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.134 -0.121 5.884 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.405 -0.342 7.601 1.00 0.00 H new ATOM 917 N VAL A 64 1.786 1.557 6.083 1.00 0.00 N ATOM 918 CA VAL A 64 2.626 2.739 6.231 1.00 0.00 C ATOM 919 C VAL A 64 1.781 4.000 6.376 1.00 0.00 C ATOM 920 O VAL A 64 0.758 4.153 5.709 1.00 0.00 O ATOM 921 CB VAL A 64 3.577 2.908 5.031 1.00 0.00 C ATOM 922 CG1 VAL A 64 4.582 4.017 5.297 1.00 0.00 C ATOM 923 CG2 VAL A 64 4.284 1.598 4.722 1.00 0.00 C ATOM 0 H VAL A 64 1.680 1.232 5.122 1.00 0.00 H new ATOM 0 HA VAL A 64 3.217 2.594 7.135 1.00 0.00 H new ATOM 0 HB VAL A 64 2.986 3.189 4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.245 4.121 4.438 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.053 4.955 5.463 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.170 3.771 6.181 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.952 1.737 3.872 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.863 1.283 5.590 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.545 0.833 4.482 1.00 0.00 H new ATOM 933 N GLU A 65 2.216 4.902 7.249 1.00 0.00 N ATOM 934 CA GLU A 65 1.500 6.151 7.479 1.00 0.00 C ATOM 935 C GLU A 65 2.157 7.300 6.722 1.00 0.00 C ATOM 936 O GLU A 65 3.162 7.855 7.166 1.00 0.00 O ATOM 937 CB GLU A 65 1.454 6.469 8.976 1.00 0.00 C ATOM 938 CG GLU A 65 0.405 7.507 9.343 1.00 0.00 C ATOM 939 CD GLU A 65 0.986 8.678 10.112 1.00 0.00 C ATOM 940 OE1 GLU A 65 1.413 9.659 9.467 1.00 0.00 O ATOM 941 OE2 GLU A 65 1.013 8.614 11.359 1.00 0.00 O ATOM 0 H GLU A 65 3.061 4.791 7.809 1.00 0.00 H new ATOM 0 HA GLU A 65 0.481 6.032 7.110 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.254 5.551 9.529 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.434 6.826 9.294 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.071 7.875 8.434 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.374 7.035 9.942 1.00 0.00 H new ATOM 948 N LEU A 66 1.581 7.652 5.578 1.00 0.00 N ATOM 949 CA LEU A 66 2.111 8.734 4.756 1.00 0.00 C ATOM 950 C LEU A 66 2.118 10.050 5.528 1.00 0.00 C ATOM 951 O LEU A 66 1.414 10.200 6.527 1.00 0.00 O ATOM 952 CB LEU A 66 1.283 8.883 3.479 1.00 0.00 C ATOM 953 CG LEU A 66 1.155 7.609 2.640 1.00 0.00 C ATOM 954 CD1 LEU A 66 -0.135 7.628 1.834 1.00 0.00 C ATOM 955 CD2 LEU A 66 2.358 7.453 1.722 1.00 0.00 C ATOM 0 H LEU A 66 0.747 7.204 5.199 1.00 0.00 H new ATOM 0 HA LEU A 66 3.138 8.485 4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.284 9.224 3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.730 9.663 2.863 1.00 0.00 H new ATOM 0 HG LEU A 66 1.125 6.753 3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.209 6.715 1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.986 7.692 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.135 8.491 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.250 6.542 1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.420 8.312 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.267 7.393 2.320 1.00 0.00 H new ATOM 967 N ASP A 67 2.918 11.001 5.057 1.00 0.00 N ATOM 968 CA ASP A 67 3.019 12.305 5.702 1.00 0.00 C ATOM 969 C ASP A 67 1.908 13.235 5.226 1.00 0.00 C ATOM 970 O ASP A 67 1.366 14.020 6.003 1.00 0.00 O ATOM 971 CB ASP A 67 4.384 12.934 5.417 1.00 0.00 C ATOM 972 CG ASP A 67 4.688 14.098 6.340 1.00 0.00 C ATOM 973 OD1 ASP A 67 4.800 13.872 7.563 1.00 0.00 O ATOM 974 OD2 ASP A 67 4.815 15.235 5.839 1.00 0.00 O ATOM 0 H ASP A 67 3.506 10.893 4.231 1.00 0.00 H new ATOM 0 HA ASP A 67 2.911 12.160 6.777 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.160 12.176 5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.414 13.276 4.383 1.00 0.00 H new ATOM 979 N LYS A 68 1.575 13.143 3.942 1.00 0.00 N ATOM 980 CA LYS A 68 0.530 13.978 3.362 1.00 0.00 C ATOM 981 C LYS A 68 -0.677 13.135 2.954 1.00 0.00 C ATOM 982 O LYS A 68 -0.549 11.939 2.691 1.00 0.00 O ATOM 983 CB LYS A 68 1.070 14.738 2.149 1.00 0.00 C ATOM 984 CG LYS A 68 1.490 16.165 2.463 1.00 0.00 C ATOM 985 CD LYS A 68 1.013 17.136 1.395 1.00 0.00 C ATOM 986 CE LYS A 68 1.580 18.529 1.616 1.00 0.00 C ATOM 987 NZ LYS A 68 2.768 18.788 0.757 1.00 0.00 N ATOM 0 H LYS A 68 2.014 12.499 3.284 1.00 0.00 H new ATOM 0 HA LYS A 68 0.211 14.695 4.118 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.925 14.197 1.743 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.306 14.756 1.372 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.085 16.460 3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.576 16.216 2.543 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.311 16.772 0.412 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.076 17.180 1.402 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.811 19.272 1.405 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.857 18.646 2.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.124 19.748 0.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.512 18.095 0.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.498 18.702 -0.244 1.00 0.00 H new ATOM 1001 N PRO A 69 -1.871 13.751 2.897 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.105 13.052 2.520 1.00 0.00 C ATOM 1003 C PRO A 69 -3.004 12.401 1.145 1.00 0.00 C ATOM 1004 O PRO A 69 -3.422 12.977 0.140 1.00 0.00 O ATOM 1005 CB PRO A 69 -4.162 14.162 2.507 1.00 0.00 C ATOM 1006 CG PRO A 69 -3.603 15.237 3.374 1.00 0.00 C ATOM 1007 CD PRO A 69 -2.112 15.174 3.197 1.00 0.00 C ATOM 0 HA PRO A 69 -3.334 12.238 3.208 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.341 14.525 1.495 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.117 13.802 2.890 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.990 16.214 3.084 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.880 15.081 4.417 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.775 15.820 2.386 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.585 15.491 4.097 1.00 0.00 H new ATOM 1015 N GLU A 70 -2.444 11.197 1.107 1.00 0.00 N ATOM 1016 CA GLU A 70 -2.286 10.466 -0.146 1.00 0.00 C ATOM 1017 C GLU A 70 -2.939 9.090 -0.062 1.00 0.00 C ATOM 1018 O GLU A 70 -3.552 8.623 -1.021 1.00 0.00 O ATOM 1019 CB GLU A 70 -0.803 10.321 -0.492 1.00 0.00 C ATOM 1020 CG GLU A 70 -0.267 11.448 -1.360 1.00 0.00 C ATOM 1021 CD GLU A 70 -0.756 11.362 -2.793 1.00 0.00 C ATOM 1022 OE1 GLU A 70 -0.483 10.337 -3.451 1.00 0.00 O ATOM 1023 OE2 GLU A 70 -1.407 12.321 -3.257 1.00 0.00 O ATOM 0 H GLU A 70 -2.092 10.706 1.929 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.782 11.034 -0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.226 10.279 0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.650 9.373 -1.007 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.568 12.405 -0.934 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.823 11.423 -1.349 1.00 0.00 H new ATOM 1030 N GLY A 71 -2.801 8.442 1.092 1.00 0.00 N ATOM 1031 CA GLY A 71 -3.382 7.126 1.279 1.00 0.00 C ATOM 1032 C GLY A 71 -4.886 7.122 1.084 1.00 0.00 C ATOM 1033 O GLY A 71 -5.480 8.151 0.761 1.00 0.00 O ATOM 0 H GLY A 71 -2.297 8.806 1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.926 6.428 0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.148 6.768 2.282 1.00 0.00 H new ATOM 1037 N ASN A 72 -5.504 5.962 1.282 1.00 0.00 N ATOM 1038 CA ASN A 72 -6.947 5.828 1.126 1.00 0.00 C ATOM 1039 C ASN A 72 -7.551 5.050 2.290 1.00 0.00 C ATOM 1040 O ASN A 72 -8.550 4.348 2.129 1.00 0.00 O ATOM 1041 CB ASN A 72 -7.276 5.129 -0.195 1.00 0.00 C ATOM 1042 CG ASN A 72 -6.631 3.762 -0.301 1.00 0.00 C ATOM 1043 OD1 ASN A 72 -7.303 2.736 -0.185 1.00 0.00 O ATOM 1044 ND2 ASN A 72 -5.322 3.740 -0.523 1.00 0.00 N ATOM 0 H ASN A 72 -5.027 5.101 1.551 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.380 6.828 1.118 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.357 5.026 -0.289 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.942 5.751 -1.025 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.833 2.848 -0.604 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.805 4.615 -0.612 1.00 0.00 H new ATOM 1051 N ASN A 73 -6.939 5.178 3.463 1.00 0.00 N ATOM 1052 CA ASN A 73 -7.417 4.488 4.654 1.00 0.00 C ATOM 1053 C ASN A 73 -7.062 5.268 5.916 1.00 0.00 C ATOM 1054 O ASN A 73 -6.455 6.337 5.845 1.00 0.00 O ATOM 1055 CB ASN A 73 -6.821 3.081 4.727 1.00 0.00 C ATOM 1056 CG ASN A 73 -7.449 2.135 3.723 1.00 0.00 C ATOM 1057 OD1 ASN A 73 -8.602 1.729 3.871 1.00 0.00 O ATOM 1058 ND2 ASN A 73 -6.691 1.776 2.693 1.00 0.00 N ATOM 0 H ASN A 73 -6.111 5.754 3.613 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.502 4.414 4.588 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.747 3.135 4.549 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.958 2.683 5.732 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.059 1.140 1.986 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.740 2.136 2.609 1.00 0.00 H new ATOM 1065 N ASN A 74 -7.443 4.728 7.069 1.00 0.00 N ATOM 1066 CA ASN A 74 -7.164 5.377 8.344 1.00 0.00 C ATOM 1067 C ASN A 74 -6.680 4.365 9.380 1.00 0.00 C ATOM 1068 O ASN A 74 -6.812 4.585 10.584 1.00 0.00 O ATOM 1069 CB ASN A 74 -8.413 6.092 8.861 1.00 0.00 C ATOM 1070 CG ASN A 74 -9.601 5.159 8.993 1.00 0.00 C ATOM 1071 OD1 ASN A 74 -9.466 4.023 9.448 1.00 0.00 O ATOM 1072 ND2 ASN A 74 -10.775 5.635 8.593 1.00 0.00 N ATOM 0 H ASN A 74 -7.945 3.844 7.146 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.373 6.110 8.182 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.197 6.540 9.831 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.668 6.907 8.184 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.610 5.053 8.657 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.841 6.583 8.222 1.00 0.00 H new ATOM 1079 N GLY A 75 -6.117 3.257 8.906 1.00 0.00 N ATOM 1080 CA GLY A 75 -5.623 2.233 9.808 1.00 0.00 C ATOM 1081 C GLY A 75 -6.641 1.139 10.066 1.00 0.00 C ATOM 1082 O GLY A 75 -6.277 -0.007 10.327 1.00 0.00 O ATOM 0 H GLY A 75 -5.994 3.051 7.915 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.719 1.791 9.389 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.343 2.694 10.755 1.00 0.00 H new ATOM 1086 N THR A 76 -7.921 1.493 9.996 1.00 0.00 N ATOM 1087 CA THR A 76 -8.993 0.531 10.226 1.00 0.00 C ATOM 1088 C THR A 76 -9.543 0.000 8.906 1.00 0.00 C ATOM 1089 O THR A 76 -10.215 0.720 8.169 1.00 0.00 O ATOM 1090 CB THR A 76 -10.118 1.176 11.038 1.00 0.00 C ATOM 1091 OG1 THR A 76 -9.610 2.198 11.876 1.00 0.00 O ATOM 1092 CG2 THR A 76 -10.863 0.191 11.914 1.00 0.00 C ATOM 0 H THR A 76 -8.240 2.438 9.782 1.00 0.00 H new ATOM 0 HA THR A 76 -8.581 -0.307 10.789 1.00 0.00 H new ATOM 0 HB THR A 76 -10.812 1.580 10.301 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.455 3.008 11.347 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.647 0.713 12.463 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.310 -0.584 11.291 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.169 -0.266 12.619 1.00 0.00 H new ATOM 1100 N TYR A 77 -9.256 -1.265 8.618 1.00 0.00 N ATOM 1101 CA TYR A 77 -9.725 -1.892 7.389 1.00 0.00 C ATOM 1102 C TYR A 77 -10.943 -2.770 7.659 1.00 0.00 C ATOM 1103 O TYR A 77 -10.821 -3.873 8.191 1.00 0.00 O ATOM 1104 CB TYR A 77 -8.610 -2.729 6.759 1.00 0.00 C ATOM 1105 CG TYR A 77 -8.771 -2.930 5.269 1.00 0.00 C ATOM 1106 CD1 TYR A 77 -9.686 -3.849 4.768 1.00 0.00 C ATOM 1107 CD2 TYR A 77 -8.010 -2.202 4.363 1.00 0.00 C ATOM 1108 CE1 TYR A 77 -9.837 -4.036 3.407 1.00 0.00 C ATOM 1109 CE2 TYR A 77 -8.156 -2.383 3.000 1.00 0.00 C ATOM 1110 CZ TYR A 77 -9.070 -3.301 2.528 1.00 0.00 C ATOM 1111 OH TYR A 77 -9.218 -3.485 1.172 1.00 0.00 O ATOM 0 H TYR A 77 -8.701 -1.875 9.219 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.013 -1.102 6.695 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.652 -2.245 6.950 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.579 -3.703 7.247 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.289 -4.426 5.454 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.292 -1.483 4.729 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.552 -4.754 3.034 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.557 -1.808 2.309 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.605 -2.890 0.692 1.00 0.00 H new ATOM 1121 N ASP A 78 -12.119 -2.271 7.290 1.00 0.00 N ATOM 1122 CA ASP A 78 -13.360 -3.008 7.494 1.00 0.00 C ATOM 1123 C ASP A 78 -13.612 -3.250 8.981 1.00 0.00 C ATOM 1124 O ASP A 78 -14.246 -4.234 9.359 1.00 0.00 O ATOM 1125 CB ASP A 78 -13.316 -4.342 6.745 1.00 0.00 C ATOM 1126 CG ASP A 78 -14.053 -4.287 5.423 1.00 0.00 C ATOM 1127 OD1 ASP A 78 -13.804 -3.343 4.642 1.00 0.00 O ATOM 1128 OD2 ASP A 78 -14.881 -5.187 5.167 1.00 0.00 O ATOM 0 H ASP A 78 -12.238 -1.359 6.848 1.00 0.00 H new ATOM 0 HA ASP A 78 -14.179 -2.407 7.100 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.278 -4.622 6.567 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.754 -5.121 7.370 1.00 0.00 H new ATOM 1133 N GLY A 79 -13.112 -2.346 9.817 1.00 0.00 N ATOM 1134 CA GLY A 79 -13.295 -2.481 11.250 1.00 0.00 C ATOM 1135 C GLY A 79 -12.015 -2.868 11.967 1.00 0.00 C ATOM 1136 O GLY A 79 -11.778 -2.445 13.098 1.00 0.00 O ATOM 0 H GLY A 79 -12.584 -1.523 9.528 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.664 -1.539 11.656 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.059 -3.234 11.446 1.00 0.00 H new ATOM 1140 N ILE A 80 -11.190 -3.674 11.307 1.00 0.00 N ATOM 1141 CA ILE A 80 -9.929 -4.116 11.889 1.00 0.00 C ATOM 1142 C ILE A 80 -8.936 -2.963 11.988 1.00 0.00 C ATOM 1143 O ILE A 80 -8.382 -2.519 10.983 1.00 0.00 O ATOM 1144 CB ILE A 80 -9.295 -5.254 11.064 1.00 0.00 C ATOM 1145 CG1 ILE A 80 -10.327 -6.349 10.788 1.00 0.00 C ATOM 1146 CG2 ILE A 80 -8.089 -5.828 11.792 1.00 0.00 C ATOM 1147 CD1 ILE A 80 -10.937 -6.935 12.043 1.00 0.00 C ATOM 0 H ILE A 80 -11.372 -4.034 10.370 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.156 -4.486 12.889 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.960 -4.847 10.110 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.122 -5.939 10.165 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.854 -7.148 10.217 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.653 -6.630 11.197 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.348 -5.043 11.943 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -8.401 -6.222 12.759 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.659 -7.705 11.771 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.152 -7.375 12.658 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.440 -6.148 12.605 1.00 0.00 H new ATOM 1159 N ALA A 81 -8.715 -2.483 13.208 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.789 -1.382 13.439 1.00 0.00 C ATOM 1161 C ALA A 81 -6.360 -1.890 13.606 1.00 0.00 C ATOM 1162 O ALA A 81 -6.026 -2.509 14.616 1.00 0.00 O ATOM 1163 CB ALA A 81 -8.214 -0.583 14.662 1.00 0.00 C ATOM 0 H ALA A 81 -9.165 -2.840 14.051 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.814 -0.730 12.566 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.513 0.236 14.823 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.214 -0.179 14.503 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.220 -1.233 15.537 1.00 0.00 H new ATOM 1169 N TYR A 82 -5.522 -1.622 12.610 1.00 0.00 N ATOM 1170 CA TYR A 82 -4.129 -2.051 12.648 1.00 0.00 C ATOM 1171 C TYR A 82 -3.245 -0.971 13.264 1.00 0.00 C ATOM 1172 O TYR A 82 -2.243 -1.270 13.912 1.00 0.00 O ATOM 1173 CB TYR A 82 -3.637 -2.385 11.239 1.00 0.00 C ATOM 1174 CG TYR A 82 -4.417 -3.495 10.570 1.00 0.00 C ATOM 1175 CD1 TYR A 82 -4.159 -4.828 10.867 1.00 0.00 C ATOM 1176 CD2 TYR A 82 -5.410 -3.210 9.643 1.00 0.00 C ATOM 1177 CE1 TYR A 82 -4.869 -5.844 10.257 1.00 0.00 C ATOM 1178 CE2 TYR A 82 -6.126 -4.220 9.029 1.00 0.00 C ATOM 1179 CZ TYR A 82 -5.851 -5.536 9.339 1.00 0.00 C ATOM 1180 OH TYR A 82 -6.560 -6.545 8.730 1.00 0.00 O ATOM 0 H TYR A 82 -5.783 -1.110 11.767 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.067 -2.945 13.268 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.695 -1.489 10.621 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.586 -2.670 11.289 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.391 -5.073 11.586 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.627 -2.181 9.397 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.656 -6.875 10.498 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.896 -3.981 8.311 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.799 -6.273 7.819 1.00 0.00 H new ATOM 1190 N PHE A 83 -3.625 0.285 13.057 1.00 0.00 N ATOM 1191 CA PHE A 83 -2.868 1.411 13.591 1.00 0.00 C ATOM 1192 C PHE A 83 -3.720 2.675 13.620 1.00 0.00 C ATOM 1193 O PHE A 83 -4.868 2.672 13.172 1.00 0.00 O ATOM 1194 CB PHE A 83 -1.610 1.649 12.755 1.00 0.00 C ATOM 1195 CG PHE A 83 -1.874 1.717 11.277 1.00 0.00 C ATOM 1196 CD1 PHE A 83 -1.990 0.557 10.527 1.00 0.00 C ATOM 1197 CD2 PHE A 83 -2.006 2.940 10.639 1.00 0.00 C ATOM 1198 CE1 PHE A 83 -2.234 0.617 9.168 1.00 0.00 C ATOM 1199 CE2 PHE A 83 -2.249 3.005 9.280 1.00 0.00 C ATOM 1200 CZ PHE A 83 -2.364 1.842 8.544 1.00 0.00 C ATOM 0 H PHE A 83 -4.453 0.549 12.523 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.576 1.168 14.613 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.142 2.580 13.075 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.896 0.849 12.952 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.889 -0.404 11.010 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.918 3.852 11.210 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.323 -0.294 8.594 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.349 3.964 8.794 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.555 1.891 7.482 1.00 0.00 H new ATOM 1210 N GLU A 84 -3.153 3.754 14.149 1.00 0.00 N ATOM 1211 CA GLU A 84 -3.862 5.026 14.236 1.00 0.00 C ATOM 1212 C GLU A 84 -3.259 6.051 13.282 1.00 0.00 C ATOM 1213 O GLU A 84 -2.039 6.153 13.154 1.00 0.00 O ATOM 1214 CB GLU A 84 -3.820 5.560 15.669 1.00 0.00 C ATOM 1215 CG GLU A 84 -4.954 6.519 15.994 1.00 0.00 C ATOM 1216 CD GLU A 84 -4.697 7.319 17.256 1.00 0.00 C ATOM 1217 OE1 GLU A 84 -4.027 8.369 17.167 1.00 0.00 O ATOM 1218 OE2 GLU A 84 -5.165 6.896 18.333 1.00 0.00 O ATOM 0 H GLU A 84 -2.205 3.773 14.524 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.900 4.855 13.949 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.856 4.720 16.362 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.869 6.067 15.831 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.098 7.203 15.158 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.880 5.956 16.108 1.00 0.00 H new ATOM 1225 N CYS A 85 -4.122 6.809 12.614 1.00 0.00 N ATOM 1226 CA CYS A 85 -3.675 7.828 11.671 1.00 0.00 C ATOM 1227 C CYS A 85 -4.851 8.656 11.167 1.00 0.00 C ATOM 1228 O CYS A 85 -5.985 8.478 11.610 1.00 0.00 O ATOM 1229 CB CYS A 85 -2.952 7.178 10.490 1.00 0.00 C ATOM 1230 SG CYS A 85 -3.970 6.020 9.547 1.00 0.00 S ATOM 0 H CYS A 85 -5.135 6.737 12.708 1.00 0.00 H new ATOM 0 HA CYS A 85 -2.984 8.490 12.192 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.596 7.961 9.820 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.072 6.652 10.861 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.513 4.813 9.704 1.00 0.00 H new ATOM 1236 N LYS A 86 -4.573 9.564 10.236 1.00 0.00 N ATOM 1237 CA LYS A 86 -5.607 10.421 9.671 1.00 0.00 C ATOM 1238 C LYS A 86 -6.679 9.593 8.969 1.00 0.00 C ATOM 1239 O LYS A 86 -6.716 8.369 9.102 1.00 0.00 O ATOM 1240 CB LYS A 86 -4.989 11.421 8.692 1.00 0.00 C ATOM 1241 CG LYS A 86 -5.065 12.863 9.166 1.00 0.00 C ATOM 1242 CD LYS A 86 -3.801 13.273 9.905 1.00 0.00 C ATOM 1243 CE LYS A 86 -3.405 14.704 9.579 1.00 0.00 C ATOM 1244 NZ LYS A 86 -4.384 15.688 10.119 1.00 0.00 N ATOM 0 H LYS A 86 -3.639 9.724 9.858 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.078 10.968 10.488 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.945 11.156 8.526 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.496 11.336 7.731 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.217 13.521 8.310 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.927 12.987 9.821 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.958 13.173 10.979 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.987 12.599 9.638 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.418 14.910 9.992 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.330 14.823 8.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.078 16.652 9.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.321 15.508 9.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.437 15.593 11.153 1.00 0.00 H new ATOM 1258 N GLU A 87 -7.547 10.267 8.223 1.00 0.00 N ATOM 1259 CA GLU A 87 -8.620 9.593 7.501 1.00 0.00 C ATOM 1260 C GLU A 87 -8.086 8.905 6.248 1.00 0.00 C ATOM 1261 O GLU A 87 -8.483 7.785 5.926 1.00 0.00 O ATOM 1262 CB GLU A 87 -9.713 10.594 7.121 1.00 0.00 C ATOM 1263 CG GLU A 87 -11.097 9.974 7.025 1.00 0.00 C ATOM 1264 CD GLU A 87 -11.930 10.214 8.269 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -11.777 11.287 8.889 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -12.737 9.328 8.623 1.00 0.00 O ATOM 0 H GLU A 87 -7.529 11.280 8.102 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.044 8.833 8.157 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.733 11.395 7.860 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.460 11.049 6.163 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.616 10.385 6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.000 8.901 6.858 1.00 0.00 H new ATOM 1273 N LYS A 88 -7.187 9.585 5.543 1.00 0.00 N ATOM 1274 CA LYS A 88 -6.602 9.038 4.325 1.00 0.00 C ATOM 1275 C LYS A 88 -5.087 9.229 4.313 1.00 0.00 C ATOM 1276 O LYS A 88 -4.524 9.755 3.352 1.00 0.00 O ATOM 1277 CB LYS A 88 -7.224 9.703 3.095 1.00 0.00 C ATOM 1278 CG LYS A 88 -8.725 9.498 2.987 1.00 0.00 C ATOM 1279 CD LYS A 88 -9.417 10.728 2.423 1.00 0.00 C ATOM 1280 CE LYS A 88 -9.072 10.939 0.958 1.00 0.00 C ATOM 1281 NZ LYS A 88 -10.136 10.420 0.055 1.00 0.00 N ATOM 0 H LYS A 88 -6.849 10.514 5.794 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.813 7.969 4.298 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.013 10.772 3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.746 9.308 2.198 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -8.931 8.639 2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.134 9.269 3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -10.496 10.622 2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.124 11.607 2.997 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.923 12.002 0.770 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.129 10.441 0.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -9.862 10.584 -0.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.261 9.400 0.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -11.030 10.913 0.252 1.00 0.00 H new ATOM 1295 N HIS A 89 -4.433 8.798 5.386 1.00 0.00 N ATOM 1296 CA HIS A 89 -2.984 8.921 5.499 1.00 0.00 C ATOM 1297 C HIS A 89 -2.319 7.547 5.494 1.00 0.00 C ATOM 1298 O HIS A 89 -1.228 7.376 4.952 1.00 0.00 O ATOM 1299 CB HIS A 89 -2.613 9.676 6.777 1.00 0.00 C ATOM 1300 CG HIS A 89 -2.433 11.148 6.571 1.00 0.00 C ATOM 1301 ND1 HIS A 89 -1.296 11.840 6.922 1.00 0.00 N ATOM 1302 CD2 HIS A 89 -3.278 12.065 6.033 1.00 0.00 C ATOM 1303 CE1 HIS A 89 -1.480 13.127 6.596 1.00 0.00 C ATOM 1304 NE2 HIS A 89 -2.667 13.316 6.054 1.00 0.00 N ATOM 0 H HIS A 89 -4.883 8.360 6.190 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.624 9.482 4.637 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.390 9.514 7.524 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.691 9.258 7.181 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -0.461 11.444 7.354 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -4.266 11.857 5.650 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -0.751 13.908 6.756 1.00 0.00 H new ATOM 1312 N GLY A 90 -2.987 6.571 6.101 1.00 0.00 N ATOM 1313 CA GLY A 90 -2.446 5.225 6.153 1.00 0.00 C ATOM 1314 C GLY A 90 -2.776 4.419 4.913 1.00 0.00 C ATOM 1315 O GLY A 90 -3.899 4.465 4.414 1.00 0.00 O ATOM 0 H GLY A 90 -3.892 6.688 6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.364 5.276 6.272 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.839 4.712 7.031 1.00 0.00 H new ATOM 1319 N ILE A 91 -1.792 3.679 4.411 1.00 0.00 N ATOM 1320 CA ILE A 91 -1.982 2.859 3.221 1.00 0.00 C ATOM 1321 C ILE A 91 -1.325 1.492 3.384 1.00 0.00 C ATOM 1322 O ILE A 91 -0.165 1.393 3.785 1.00 0.00 O ATOM 1323 CB ILE A 91 -1.410 3.552 1.966 1.00 0.00 C ATOM 1324 CG1 ILE A 91 -1.712 2.725 0.715 1.00 0.00 C ATOM 1325 CG2 ILE A 91 0.088 3.774 2.114 1.00 0.00 C ATOM 1326 CD1 ILE A 91 -1.695 3.535 -0.563 1.00 0.00 C ATOM 0 H ILE A 91 -0.855 3.631 4.811 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.056 2.726 3.094 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.890 4.525 1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.981 1.921 0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.690 2.257 0.826 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.473 4.264 1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.278 4.404 2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.587 2.814 2.246 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.917 2.885 -1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.446 4.323 -0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.710 3.982 -0.698 1.00 0.00 H new ATOM 1338 N PHE A 92 -2.074 0.440 3.071 1.00 0.00 N ATOM 1339 CA PHE A 92 -1.565 -0.921 3.184 1.00 0.00 C ATOM 1340 C PHE A 92 -0.872 -1.352 1.895 1.00 0.00 C ATOM 1341 O PHE A 92 -1.472 -1.332 0.820 1.00 0.00 O ATOM 1342 CB PHE A 92 -2.704 -1.889 3.510 1.00 0.00 C ATOM 1343 CG PHE A 92 -3.437 -1.547 4.776 1.00 0.00 C ATOM 1344 CD1 PHE A 92 -4.478 -0.633 4.764 1.00 0.00 C ATOM 1345 CD2 PHE A 92 -3.085 -2.141 5.977 1.00 0.00 C ATOM 1346 CE1 PHE A 92 -5.155 -0.317 5.927 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -3.758 -1.830 7.144 1.00 0.00 C ATOM 1348 CZ PHE A 92 -4.794 -0.916 7.119 1.00 0.00 C ATOM 0 H PHE A 92 -3.036 0.504 2.737 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.835 -0.942 3.993 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.412 -1.898 2.681 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.300 -2.898 3.595 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.764 -0.162 3.835 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.275 -2.855 6.002 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.965 0.397 5.904 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.474 -2.301 8.074 1.00 0.00 H new ATOM 0 HZ PHE A 92 -5.321 -0.670 8.029 1.00 0.00 H new ATOM 1358 N ALA A 93 0.393 -1.742 2.010 1.00 0.00 N ATOM 1359 CA ALA A 93 1.166 -2.178 0.854 1.00 0.00 C ATOM 1360 C ALA A 93 1.946 -3.454 1.165 1.00 0.00 C ATOM 1361 O ALA A 93 2.407 -3.648 2.290 1.00 0.00 O ATOM 1362 CB ALA A 93 2.112 -1.075 0.406 1.00 0.00 C ATOM 0 H ALA A 93 0.904 -1.765 2.892 1.00 0.00 H new ATOM 0 HA ALA A 93 0.471 -2.396 0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.683 -1.414 -0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.537 -0.190 0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.795 -0.829 1.219 1.00 0.00 H new ATOM 1368 N PRO A 94 2.105 -4.343 0.169 1.00 0.00 N ATOM 1369 CA PRO A 94 2.835 -5.603 0.348 1.00 0.00 C ATOM 1370 C PRO A 94 4.238 -5.384 0.906 1.00 0.00 C ATOM 1371 O PRO A 94 4.772 -4.277 0.848 1.00 0.00 O ATOM 1372 CB PRO A 94 2.908 -6.180 -1.068 1.00 0.00 C ATOM 1373 CG PRO A 94 1.759 -5.566 -1.790 1.00 0.00 C ATOM 1374 CD PRO A 94 1.589 -4.193 -1.204 1.00 0.00 C ATOM 0 HA PRO A 94 2.341 -6.260 1.064 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.855 -5.932 -1.548 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.832 -7.267 -1.056 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.955 -5.512 -2.861 1.00 0.00 H new ATOM 0 HG3 PRO A 94 0.854 -6.160 -1.661 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.149 -3.444 -1.764 1.00 0.00 H new ATOM 0 HD3 PRO A 94 0.545 -3.880 -1.209 1.00 0.00 H new ATOM 1382 N PRO A 95 4.858 -6.443 1.454 1.00 0.00 N ATOM 1383 CA PRO A 95 6.208 -6.361 2.023 1.00 0.00 C ATOM 1384 C PRO A 95 7.255 -6.003 0.973 1.00 0.00 C ATOM 1385 O PRO A 95 8.201 -5.268 1.252 1.00 0.00 O ATOM 1386 CB PRO A 95 6.460 -7.770 2.571 1.00 0.00 C ATOM 1387 CG PRO A 95 5.507 -8.647 1.834 1.00 0.00 C ATOM 1388 CD PRO A 95 4.296 -7.800 1.563 1.00 0.00 C ATOM 0 HA PRO A 95 6.281 -5.581 2.780 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.492 -8.080 2.404 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.285 -7.813 3.646 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.947 -9.008 0.905 1.00 0.00 H new ATOM 0 HG3 PRO A 95 5.246 -9.525 2.425 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.789 -8.102 0.646 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.566 -7.871 2.369 1.00 0.00 H new ATOM 1396 N GLN A 96 7.077 -6.527 -0.235 1.00 0.00 N ATOM 1397 CA GLN A 96 8.005 -6.261 -1.328 1.00 0.00 C ATOM 1398 C GLN A 96 8.083 -4.767 -1.627 1.00 0.00 C ATOM 1399 O GLN A 96 9.090 -4.279 -2.141 1.00 0.00 O ATOM 1400 CB GLN A 96 7.578 -7.023 -2.584 1.00 0.00 C ATOM 1401 CG GLN A 96 6.162 -6.705 -3.037 1.00 0.00 C ATOM 1402 CD GLN A 96 5.913 -7.084 -4.484 1.00 0.00 C ATOM 1403 OE1 GLN A 96 6.675 -7.848 -5.076 1.00 0.00 O ATOM 1404 NE2 GLN A 96 4.843 -6.551 -5.060 1.00 0.00 N ATOM 0 H GLN A 96 6.299 -7.138 -0.482 1.00 0.00 H new ATOM 0 HA GLN A 96 8.994 -6.603 -1.022 1.00 0.00 H new ATOM 0 HB2 GLN A 96 8.270 -6.790 -3.393 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.658 -8.093 -2.394 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.453 -7.234 -2.400 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.974 -5.639 -2.907 1.00 0.00 H new ATOM 0 HE21 GLN A 96 4.239 -5.922 -4.531 1.00 0.00 H new ATOM 0 HE22 GLN A 96 4.625 -6.770 -6.032 1.00 0.00 H new ATOM 1413 N LYS A 97 7.014 -4.044 -1.304 1.00 0.00 N ATOM 1414 CA LYS A 97 6.965 -2.606 -1.541 1.00 0.00 C ATOM 1415 C LYS A 97 7.326 -1.832 -0.276 1.00 0.00 C ATOM 1416 O LYS A 97 6.784 -0.757 -0.018 1.00 0.00 O ATOM 1417 CB LYS A 97 5.573 -2.194 -2.023 1.00 0.00 C ATOM 1418 CG LYS A 97 5.201 -2.777 -3.377 1.00 0.00 C ATOM 1419 CD LYS A 97 5.541 -1.818 -4.508 1.00 0.00 C ATOM 1420 CE LYS A 97 4.413 -0.831 -4.758 1.00 0.00 C ATOM 1421 NZ LYS A 97 4.204 -0.584 -6.212 1.00 0.00 N ATOM 0 H LYS A 97 6.172 -4.431 -0.878 1.00 0.00 H new ATOM 0 HA LYS A 97 7.696 -2.367 -2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.834 -2.509 -1.286 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.524 -1.107 -2.079 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.728 -3.719 -3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.135 -3.002 -3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.454 -1.275 -4.264 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.740 -2.383 -5.419 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.492 -1.213 -4.319 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.637 0.111 -4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.426 0.094 -6.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.075 -0.195 -6.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.965 -1.479 -6.685 1.00 0.00 H new ATOM 1435 N ILE A 98 8.245 -2.384 0.510 1.00 0.00 N ATOM 1436 CA ILE A 98 8.677 -1.744 1.747 1.00 0.00 C ATOM 1437 C ILE A 98 10.198 -1.663 1.820 1.00 0.00 C ATOM 1438 O ILE A 98 10.870 -2.657 2.095 1.00 0.00 O ATOM 1439 CB ILE A 98 8.154 -2.499 2.984 1.00 0.00 C ATOM 1440 CG1 ILE A 98 6.654 -2.765 2.851 1.00 0.00 C ATOM 1441 CG2 ILE A 98 8.449 -1.710 4.250 1.00 0.00 C ATOM 1442 CD1 ILE A 98 5.818 -1.504 2.824 1.00 0.00 C ATOM 0 H ILE A 98 8.705 -3.273 0.312 1.00 0.00 H new ATOM 0 HA ILE A 98 8.261 -0.737 1.744 1.00 0.00 H new ATOM 0 HB ILE A 98 8.668 -3.458 3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.473 -3.331 1.937 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.329 -3.390 3.683 1.00 0.00 H new ATOM 0 HG21 ILE A 98 8.073 -2.256 5.115 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.525 -1.570 4.349 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.960 -0.737 4.195 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.765 -1.768 2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.970 -0.947 3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.116 -0.888 1.976 1.00 0.00 H new ATOM 1454 N SER A 99 10.734 -0.472 1.572 1.00 0.00 N ATOM 1455 CA SER A 99 12.177 -0.261 1.610 1.00 0.00 C ATOM 1456 C SER A 99 12.526 0.950 2.470 1.00 0.00 C ATOM 1457 O SER A 99 11.788 1.934 2.504 1.00 0.00 O ATOM 1458 CB SER A 99 12.722 -0.071 0.195 1.00 0.00 C ATOM 1459 OG SER A 99 12.590 -1.258 -0.568 1.00 0.00 O ATOM 0 H SER A 99 10.192 0.361 1.343 1.00 0.00 H new ATOM 0 HA SER A 99 12.638 -1.144 2.053 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.188 0.742 -0.297 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.772 0.219 0.242 1.00 0.00 H new ATOM 0 HG SER A 99 12.945 -1.109 -1.469 1.00 0.00 H new ATOM 1465 N HIS A 100 13.657 0.870 3.163 1.00 0.00 N ATOM 1466 CA HIS A 100 14.106 1.960 4.021 1.00 0.00 C ATOM 1467 C HIS A 100 14.311 3.238 3.216 1.00 0.00 C ATOM 1468 O HIS A 100 15.029 3.245 2.216 1.00 0.00 O ATOM 1469 CB HIS A 100 15.406 1.576 4.731 1.00 0.00 C ATOM 1470 CG HIS A 100 15.270 0.383 5.626 1.00 0.00 C ATOM 1471 ND1 HIS A 100 15.225 -0.916 5.171 1.00 0.00 N ATOM 1472 CD2 HIS A 100 15.171 0.311 6.977 1.00 0.00 C ATOM 1473 CE1 HIS A 100 15.100 -1.720 6.236 1.00 0.00 C ATOM 1474 NE2 HIS A 100 15.064 -1.025 7.357 1.00 0.00 N ATOM 0 H HIS A 100 14.279 0.062 3.147 1.00 0.00 H new ATOM 0 HA HIS A 100 13.333 2.143 4.767 1.00 0.00 H new ATOM 0 HB2 HIS A 100 16.173 1.373 3.983 1.00 0.00 H new ATOM 0 HB3 HIS A 100 15.753 2.425 5.321 1.00 0.00 H new ATOM 0 HD2 HIS A 100 15.175 1.155 7.651 1.00 0.00 H new ATOM 0 HE1 HIS A 100 15.037 -2.797 6.183 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.976 -1.390 8.305 1.00 0.00 H new ATOM 1482 N ILE A 101 13.677 4.319 3.658 1.00 0.00 N ATOM 1483 CA ILE A 101 13.791 5.603 2.979 1.00 0.00 C ATOM 1484 C ILE A 101 15.220 6.142 3.064 1.00 0.00 C ATOM 1485 O ILE A 101 15.692 6.496 4.144 1.00 0.00 O ATOM 1486 CB ILE A 101 12.826 6.645 3.580 1.00 0.00 C ATOM 1487 CG1 ILE A 101 11.406 6.081 3.643 1.00 0.00 C ATOM 1488 CG2 ILE A 101 12.855 7.929 2.761 1.00 0.00 C ATOM 1489 CD1 ILE A 101 10.395 7.050 4.219 1.00 0.00 C ATOM 0 H ILE A 101 13.079 4.331 4.484 1.00 0.00 H new ATOM 0 HA ILE A 101 13.527 5.435 1.935 1.00 0.00 H new ATOM 0 HB ILE A 101 13.151 6.876 4.595 1.00 0.00 H new ATOM 0 HG12 ILE A 101 11.092 5.796 2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 101 11.411 5.173 4.246 1.00 0.00 H new ATOM 0 HG21 ILE A 101 12.169 8.655 3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 101 13.865 8.339 2.762 1.00 0.00 H new ATOM 0 HG23 ILE A 101 12.552 7.714 1.736 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.410 6.583 4.233 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.685 7.317 5.235 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.361 7.949 3.604 1.00 0.00 H new ATOM 1501 N PRO A 102 15.932 6.212 1.924 1.00 0.00 N ATOM 1502 CA PRO A 102 17.311 6.710 1.886 1.00 0.00 C ATOM 1503 C PRO A 102 17.461 8.055 2.590 1.00 0.00 C ATOM 1504 O PRO A 102 16.487 8.621 3.084 1.00 0.00 O ATOM 1505 CB PRO A 102 17.595 6.854 0.390 1.00 0.00 C ATOM 1506 CG PRO A 102 16.695 5.864 -0.262 1.00 0.00 C ATOM 1507 CD PRO A 102 15.454 5.812 0.586 1.00 0.00 C ATOM 0 HA PRO A 102 18.000 6.041 2.402 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.388 7.866 0.043 1.00 0.00 H new ATOM 0 HB3 PRO A 102 18.641 6.647 0.164 1.00 0.00 H new ATOM 0 HG2 PRO A 102 16.458 6.165 -1.283 1.00 0.00 H new ATOM 0 HG3 PRO A 102 17.169 4.884 -0.320 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.686 6.491 0.215 1.00 0.00 H new ATOM 0 HD3 PRO A 102 15.018 4.813 0.598 1.00 0.00 H new