USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 627 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 570 HIS : no HE2:sc= -5.6! C(o=-6.3!,f=-10!) USER MOD Set 1.2: A 574 GLN :FLIP amide:sc= -0.731 F(o=-8.3!,f=-6.3) USER MOD Set 2.1: A 535 HIS :FLIP no HE2:sc= -2.78! C(o=-3.7!,f=-2.8!) USER MOD Set 2.2: A 536 MET CE :methyl -166:sc=-0.000195 (180deg=-0.243) USER MOD Set 3.1: A 519 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 520 THR OG1 : rot 180:sc= -0.0592 USER MOD Single : A 504 THR OG1 : rot 21:sc= 0.119 USER MOD Single : A 505 GLN : amide:sc= -0.75 X(o=-0.75,f=-0.99) USER MOD Single : A 506 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.041) USER MOD Single : A 508 THR OG1 : rot 179:sc= 1.27 USER MOD Single : A 511 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 527 SER OG : rot 180:sc= 0 USER MOD Single : A 528 TYR OH : rot -3:sc= 0.562 USER MOD Single : A 530 TYR OH : rot 180:sc= 0 USER MOD Single : A 534 ASN :FLIP amide:sc= -0.121 F(o=-1.9,f=-0.12) USER MOD Single : A 537 MET CE :methyl -164:sc= -0.539 (180deg=-1.03) USER MOD Single : A 539 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 546 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 549 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.1!) USER MOD Single : A 554 CYS SG : rot 13:sc= -1.6 USER MOD Single : A 555 CYS SG : rot -103:sc= 0.543 USER MOD Single : A 556 ASN : amide:sc= -0.0179 K(o=-0.018,f=-2.8!) USER MOD Single : A 564 GLN : amide:sc= 0.227 X(o=0.23,f=0) USER MOD Single : A 565 GLN : amide:sc=-0.00178 X(o=-0.0018,f=-0.47) USER MOD Single : A 567 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.16) USER MOD Single : A 569 MET CE :methyl -134:sc=-0.00328 (180deg=-0.338) USER MOD Single : A 575 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 579 MET CE :methyl -158:sc= -0.302 (180deg=-0.978) USER MOD ----------------------------------------------------------------- ATOM 445 N THR A 504 -7.744 -7.208 8.096 1.00 0.00 N ATOM 446 CA THR A 504 -8.325 -7.802 6.899 1.00 0.00 C ATOM 447 C THR A 504 -8.272 -6.834 5.723 1.00 0.00 C ATOM 448 O THR A 504 -7.691 -7.139 4.682 1.00 0.00 O ATOM 449 CB THR A 504 -9.787 -8.226 7.135 1.00 0.00 C ATOM 450 OG1 THR A 504 -9.873 -9.066 8.291 1.00 0.00 O ATOM 451 CG2 THR A 504 -10.340 -8.962 5.924 1.00 0.00 C ATOM 0 HA THR A 504 -7.731 -8.686 6.665 1.00 0.00 H new ATOM 0 HB THR A 504 -10.381 -7.326 7.295 1.00 0.00 H new ATOM 0 HG1 THR A 504 -9.086 -8.924 8.858 1.00 0.00 H new ATOM 0 HG21 THR A 504 -11.373 -9.251 6.115 1.00 0.00 H new ATOM 0 HG22 THR A 504 -10.301 -8.309 5.052 1.00 0.00 H new ATOM 0 HG23 THR A 504 -9.742 -9.854 5.736 1.00 0.00 H new ATOM 459 N GLN A 505 -8.883 -5.666 5.896 1.00 0.00 N ATOM 460 CA GLN A 505 -8.904 -4.653 4.848 1.00 0.00 C ATOM 461 C GLN A 505 -7.489 -4.293 4.409 1.00 0.00 C ATOM 462 O GLN A 505 -7.141 -4.423 3.236 1.00 0.00 O ATOM 463 CB GLN A 505 -9.634 -3.400 5.335 1.00 0.00 C ATOM 464 CG GLN A 505 -11.145 -3.481 5.192 1.00 0.00 C ATOM 465 CD GLN A 505 -11.836 -2.179 5.545 1.00 0.00 C ATOM 466 OE1 GLN A 505 -11.272 -1.331 6.237 1.00 0.00 O ATOM 467 NE2 GLN A 505 -13.064 -2.012 5.069 1.00 0.00 N ATOM 0 H GLN A 505 -9.370 -5.398 6.752 1.00 0.00 H new ATOM 0 HA GLN A 505 -9.436 -5.065 3.991 1.00 0.00 H new ATOM 0 HB2 GLN A 505 -9.385 -3.229 6.382 1.00 0.00 H new ATOM 0 HB3 GLN A 505 -9.270 -2.538 4.776 1.00 0.00 H new ATOM 0 HG2 GLN A 505 -11.395 -3.754 4.167 1.00 0.00 H new ATOM 0 HG3 GLN A 505 -11.525 -4.275 5.835 1.00 0.00 H new ATOM 0 HE21 GLN A 505 -13.494 -2.741 4.499 1.00 0.00 H new ATOM 0 HE22 GLN A 505 -13.578 -1.155 5.273 1.00 0.00 H new ATOM 476 N GLN A 506 -6.677 -3.840 5.359 1.00 0.00 N ATOM 477 CA GLN A 506 -5.299 -3.460 5.070 1.00 0.00 C ATOM 478 C GLN A 506 -4.639 -4.475 4.143 1.00 0.00 C ATOM 479 O GLN A 506 -4.021 -4.108 3.142 1.00 0.00 O ATOM 480 CB GLN A 506 -4.498 -3.339 6.367 1.00 0.00 C ATOM 481 CG GLN A 506 -4.860 -2.116 7.194 1.00 0.00 C ATOM 482 CD GLN A 506 -4.033 -2.000 8.459 1.00 0.00 C ATOM 483 OE1 GLN A 506 -3.901 -2.961 9.218 1.00 0.00 O ATOM 484 NE2 GLN A 506 -3.469 -0.821 8.692 1.00 0.00 N ATOM 0 H GLN A 506 -6.950 -3.727 6.335 1.00 0.00 H new ATOM 0 HA GLN A 506 -5.312 -2.492 4.569 1.00 0.00 H new ATOM 0 HB2 GLN A 506 -4.658 -4.234 6.968 1.00 0.00 H new ATOM 0 HB3 GLN A 506 -3.436 -3.303 6.126 1.00 0.00 H new ATOM 0 HG2 GLN A 506 -4.720 -1.220 6.590 1.00 0.00 H new ATOM 0 HG3 GLN A 506 -5.917 -2.161 7.458 1.00 0.00 H new ATOM 0 HE21 GLN A 506 -3.605 -0.052 8.036 1.00 0.00 H new ATOM 0 HE22 GLN A 506 -2.900 -0.684 9.527 1.00 0.00 H new ATOM 493 N LEU A 507 -4.772 -5.753 4.482 1.00 0.00 N ATOM 494 CA LEU A 507 -4.187 -6.822 3.680 1.00 0.00 C ATOM 495 C LEU A 507 -4.692 -6.763 2.242 1.00 0.00 C ATOM 496 O LEU A 507 -3.911 -6.850 1.294 1.00 0.00 O ATOM 497 CB LEU A 507 -4.517 -8.185 4.293 1.00 0.00 C ATOM 498 CG LEU A 507 -3.832 -8.506 5.622 1.00 0.00 C ATOM 499 CD1 LEU A 507 -4.466 -9.729 6.266 1.00 0.00 C ATOM 500 CD2 LEU A 507 -2.340 -8.722 5.415 1.00 0.00 C ATOM 0 H LEU A 507 -5.280 -6.074 5.306 1.00 0.00 H new ATOM 0 HA LEU A 507 -3.106 -6.686 3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 507 -5.596 -8.244 4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 507 -4.250 -8.959 3.573 1.00 0.00 H new ATOM 0 HG LEU A 507 -3.965 -7.657 6.293 1.00 0.00 H new ATOM 0 HD11 LEU A 507 -3.966 -9.943 7.211 1.00 0.00 H new ATOM 0 HD12 LEU A 507 -5.523 -9.537 6.450 1.00 0.00 H new ATOM 0 HD13 LEU A 507 -4.364 -10.585 5.599 1.00 0.00 H new ATOM 0 HD21 LEU A 507 -1.869 -8.949 6.371 1.00 0.00 H new ATOM 0 HD22 LEU A 507 -2.185 -9.553 4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 507 -1.896 -7.818 4.998 1.00 0.00 H new ATOM 512 N THR A 508 -6.004 -6.612 2.087 1.00 0.00 N ATOM 513 CA THR A 508 -6.613 -6.540 0.765 1.00 0.00 C ATOM 514 C THR A 508 -5.940 -5.476 -0.094 1.00 0.00 C ATOM 515 O THR A 508 -5.569 -5.732 -1.239 1.00 0.00 O ATOM 516 CB THR A 508 -8.120 -6.231 0.857 1.00 0.00 C ATOM 517 OG1 THR A 508 -8.783 -7.249 1.615 1.00 0.00 O ATOM 518 CG2 THR A 508 -8.739 -6.139 -0.529 1.00 0.00 C ATOM 0 H THR A 508 -6.665 -6.537 2.861 1.00 0.00 H new ATOM 0 HA THR A 508 -6.477 -7.517 0.301 1.00 0.00 H new ATOM 0 HB THR A 508 -8.242 -5.270 1.356 1.00 0.00 H new ATOM 0 HG1 THR A 508 -9.737 -7.037 1.682 1.00 0.00 H new ATOM 0 HG21 THR A 508 -9.803 -5.920 -0.439 1.00 0.00 H new ATOM 0 HG22 THR A 508 -8.252 -5.344 -1.093 1.00 0.00 H new ATOM 0 HG23 THR A 508 -8.607 -7.087 -1.050 1.00 0.00 H new ATOM 526 N ALA A 509 -5.784 -4.281 0.467 1.00 0.00 N ATOM 527 CA ALA A 509 -5.151 -3.179 -0.248 1.00 0.00 C ATOM 528 C ALA A 509 -3.687 -3.485 -0.544 1.00 0.00 C ATOM 529 O ALA A 509 -3.195 -3.210 -1.639 1.00 0.00 O ATOM 530 CB ALA A 509 -5.271 -1.892 0.555 1.00 0.00 C ATOM 0 H ALA A 509 -6.087 -4.051 1.414 1.00 0.00 H new ATOM 0 HA ALA A 509 -5.667 -3.051 -1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 509 -4.794 -1.077 0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 509 -6.324 -1.657 0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 509 -4.781 -2.018 1.520 1.00 0.00 H new ATOM 536 N PHE A 510 -2.996 -4.054 0.437 1.00 0.00 N ATOM 537 CA PHE A 510 -1.587 -4.396 0.281 1.00 0.00 C ATOM 538 C PHE A 510 -1.372 -5.269 -0.952 1.00 0.00 C ATOM 539 O PHE A 510 -0.464 -5.025 -1.746 1.00 0.00 O ATOM 540 CB PHE A 510 -1.075 -5.120 1.528 1.00 0.00 C ATOM 541 CG PHE A 510 0.370 -5.521 1.438 1.00 0.00 C ATOM 542 CD1 PHE A 510 1.359 -4.564 1.279 1.00 0.00 C ATOM 543 CD2 PHE A 510 0.739 -6.854 1.512 1.00 0.00 C ATOM 544 CE1 PHE A 510 2.689 -4.930 1.195 1.00 0.00 C ATOM 545 CE2 PHE A 510 2.068 -7.226 1.429 1.00 0.00 C ATOM 546 CZ PHE A 510 3.044 -6.262 1.271 1.00 0.00 C ATOM 0 H PHE A 510 -3.388 -4.288 1.349 1.00 0.00 H new ATOM 0 HA PHE A 510 -1.027 -3.470 0.151 1.00 0.00 H new ATOM 0 HB2 PHE A 510 -1.211 -4.474 2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 510 -1.681 -6.010 1.696 1.00 0.00 H new ATOM 0 HD1 PHE A 510 1.088 -3.520 1.220 1.00 0.00 H new ATOM 0 HD2 PHE A 510 -0.020 -7.612 1.636 1.00 0.00 H new ATOM 0 HE1 PHE A 510 3.450 -4.174 1.070 1.00 0.00 H new ATOM 0 HE2 PHE A 510 2.342 -8.269 1.488 1.00 0.00 H new ATOM 0 HZ PHE A 510 4.083 -6.549 1.207 1.00 0.00 H new ATOM 556 N GLN A 511 -2.214 -6.286 -1.103 1.00 0.00 N ATOM 557 CA GLN A 511 -2.115 -7.196 -2.238 1.00 0.00 C ATOM 558 C GLN A 511 -2.375 -6.461 -3.549 1.00 0.00 C ATOM 559 O GLN A 511 -1.590 -6.558 -4.494 1.00 0.00 O ATOM 560 CB GLN A 511 -3.108 -8.350 -2.082 1.00 0.00 C ATOM 561 CG GLN A 511 -3.128 -9.300 -3.268 1.00 0.00 C ATOM 562 CD GLN A 511 -4.203 -10.362 -3.147 1.00 0.00 C ATOM 563 OE1 GLN A 511 -5.377 -10.052 -2.946 1.00 0.00 O ATOM 564 NE2 GLN A 511 -3.806 -11.623 -3.269 1.00 0.00 N ATOM 0 H GLN A 511 -2.972 -6.500 -0.455 1.00 0.00 H new ATOM 0 HA GLN A 511 -1.102 -7.598 -2.262 1.00 0.00 H new ATOM 0 HB2 GLN A 511 -2.861 -8.912 -1.181 1.00 0.00 H new ATOM 0 HB3 GLN A 511 -4.108 -7.941 -1.938 1.00 0.00 H new ATOM 0 HG2 GLN A 511 -3.288 -8.729 -4.183 1.00 0.00 H new ATOM 0 HG3 GLN A 511 -2.155 -9.782 -3.359 1.00 0.00 H new ATOM 0 HE21 GLN A 511 -2.822 -11.834 -3.435 1.00 0.00 H new ATOM 0 HE22 GLN A 511 -4.485 -12.381 -3.197 1.00 0.00 H new ATOM 573 N LEU A 512 -3.480 -5.726 -3.601 1.00 0.00 N ATOM 574 CA LEU A 512 -3.844 -4.974 -4.797 1.00 0.00 C ATOM 575 C LEU A 512 -2.677 -4.117 -5.277 1.00 0.00 C ATOM 576 O LEU A 512 -2.300 -4.162 -6.448 1.00 0.00 O ATOM 577 CB LEU A 512 -5.060 -4.090 -4.517 1.00 0.00 C ATOM 578 CG LEU A 512 -6.376 -4.823 -4.252 1.00 0.00 C ATOM 579 CD1 LEU A 512 -7.367 -3.905 -3.555 1.00 0.00 C ATOM 580 CD2 LEU A 512 -6.962 -5.354 -5.552 1.00 0.00 C ATOM 0 H LEU A 512 -4.140 -5.635 -2.829 1.00 0.00 H new ATOM 0 HA LEU A 512 -4.094 -5.687 -5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 512 -4.837 -3.462 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 512 -5.203 -3.424 -5.368 1.00 0.00 H new ATOM 0 HG LEU A 512 -6.172 -5.669 -3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 512 -8.297 -4.444 -3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 512 -6.949 -3.574 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 512 -7.566 -3.038 -4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 512 -7.898 -5.873 -5.344 1.00 0.00 H new ATOM 0 HD22 LEU A 512 -7.151 -4.523 -6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 512 -6.258 -6.047 -6.012 1.00 0.00 H new ATOM 592 N LEU A 513 -2.108 -3.337 -4.364 1.00 0.00 N ATOM 593 CA LEU A 513 -0.982 -2.470 -4.692 1.00 0.00 C ATOM 594 C LEU A 513 0.174 -3.277 -5.275 1.00 0.00 C ATOM 595 O LEU A 513 0.669 -2.977 -6.362 1.00 0.00 O ATOM 596 CB LEU A 513 -0.515 -1.714 -3.448 1.00 0.00 C ATOM 597 CG LEU A 513 -1.346 -0.493 -3.052 1.00 0.00 C ATOM 598 CD1 LEU A 513 -0.960 -0.012 -1.662 1.00 0.00 C ATOM 599 CD2 LEU A 513 -1.174 0.622 -4.072 1.00 0.00 C ATOM 0 H LEU A 513 -2.408 -3.287 -3.390 1.00 0.00 H new ATOM 0 HA LEU A 513 -1.314 -1.752 -5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -0.504 -2.409 -2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 513 0.514 -1.392 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 513 -2.397 -0.783 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -1.562 0.857 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -1.136 -0.809 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 513 0.095 0.261 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -1.772 1.483 -3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -0.124 0.910 -4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -1.502 0.273 -5.051 1.00 0.00 H new ATOM 611 N PHE A 514 0.600 -4.303 -4.546 1.00 0.00 N ATOM 612 CA PHE A 514 1.697 -5.155 -4.991 1.00 0.00 C ATOM 613 C PHE A 514 1.568 -5.475 -6.477 1.00 0.00 C ATOM 614 O PHE A 514 2.444 -5.140 -7.273 1.00 0.00 O ATOM 615 CB PHE A 514 1.726 -6.451 -4.178 1.00 0.00 C ATOM 616 CG PHE A 514 2.985 -7.249 -4.368 1.00 0.00 C ATOM 617 CD1 PHE A 514 4.205 -6.756 -3.932 1.00 0.00 C ATOM 618 CD2 PHE A 514 2.948 -8.490 -4.981 1.00 0.00 C ATOM 619 CE1 PHE A 514 5.364 -7.488 -4.105 1.00 0.00 C ATOM 620 CE2 PHE A 514 4.105 -9.227 -5.157 1.00 0.00 C ATOM 621 CZ PHE A 514 5.314 -8.725 -4.717 1.00 0.00 C ATOM 0 H PHE A 514 0.202 -4.565 -3.644 1.00 0.00 H new ATOM 0 HA PHE A 514 2.631 -4.615 -4.834 1.00 0.00 H new ATOM 0 HB2 PHE A 514 1.614 -6.210 -3.121 1.00 0.00 H new ATOM 0 HB3 PHE A 514 0.870 -7.065 -4.458 1.00 0.00 H new ATOM 0 HD1 PHE A 514 4.250 -5.790 -3.452 1.00 0.00 H new ATOM 0 HD2 PHE A 514 2.005 -8.887 -5.326 1.00 0.00 H new ATOM 0 HE1 PHE A 514 6.309 -7.093 -3.762 1.00 0.00 H new ATOM 0 HE2 PHE A 514 4.063 -10.193 -5.638 1.00 0.00 H new ATOM 0 HZ PHE A 514 6.219 -9.299 -4.851 1.00 0.00 H new ATOM 631 N ALA A 515 0.470 -6.128 -6.842 1.00 0.00 N ATOM 632 CA ALA A 515 0.225 -6.493 -8.232 1.00 0.00 C ATOM 633 C ALA A 515 0.368 -5.285 -9.151 1.00 0.00 C ATOM 634 O ALA A 515 1.042 -5.351 -10.178 1.00 0.00 O ATOM 635 CB ALA A 515 -1.158 -7.111 -8.380 1.00 0.00 C ATOM 0 H ALA A 515 -0.264 -6.415 -6.195 1.00 0.00 H new ATOM 0 HA ALA A 515 0.973 -7.229 -8.525 1.00 0.00 H new ATOM 0 HB1 ALA A 515 -1.327 -7.379 -9.423 1.00 0.00 H new ATOM 0 HB2 ALA A 515 -1.225 -8.005 -7.760 1.00 0.00 H new ATOM 0 HB3 ALA A 515 -1.914 -6.392 -8.063 1.00 0.00 H new ATOM 641 N TRP A 516 -0.272 -4.183 -8.774 1.00 0.00 N ATOM 642 CA TRP A 516 -0.216 -2.959 -9.566 1.00 0.00 C ATOM 643 C TRP A 516 1.228 -2.535 -9.811 1.00 0.00 C ATOM 644 O TRP A 516 1.642 -2.341 -10.954 1.00 0.00 O ATOM 645 CB TRP A 516 -0.978 -1.836 -8.860 1.00 0.00 C ATOM 646 CG TRP A 516 -0.720 -0.482 -9.448 1.00 0.00 C ATOM 647 CD1 TRP A 516 -1.330 0.067 -10.540 1.00 0.00 C ATOM 648 CD2 TRP A 516 0.219 0.492 -8.978 1.00 0.00 C ATOM 649 NE1 TRP A 516 -0.827 1.324 -10.776 1.00 0.00 N ATOM 650 CE2 TRP A 516 0.123 1.608 -9.831 1.00 0.00 C ATOM 651 CE3 TRP A 516 1.129 0.530 -7.918 1.00 0.00 C ATOM 652 CZ2 TRP A 516 0.904 2.747 -9.656 1.00 0.00 C ATOM 653 CZ3 TRP A 516 1.903 1.661 -7.746 1.00 0.00 C ATOM 654 CH2 TRP A 516 1.787 2.757 -8.611 1.00 0.00 C ATOM 0 H TRP A 516 -0.835 -4.112 -7.926 1.00 0.00 H new ATOM 0 HA TRP A 516 -0.685 -3.157 -10.530 1.00 0.00 H new ATOM 0 HB2 TRP A 516 -2.046 -2.047 -8.906 1.00 0.00 H new ATOM 0 HB3 TRP A 516 -0.701 -1.825 -7.806 1.00 0.00 H new ATOM 0 HD1 TRP A 516 -2.095 -0.416 -11.131 1.00 0.00 H new ATOM 0 HE1 TRP A 516 -1.115 1.945 -11.532 1.00 0.00 H new ATOM 0 HE3 TRP A 516 1.225 -0.310 -7.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 516 0.816 3.593 -10.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 516 2.610 1.701 -6.931 1.00 0.00 H new ATOM 0 HH2 TRP A 516 2.407 3.627 -8.450 1.00 0.00 H new ATOM 665 N ARG A 517 1.990 -2.392 -8.731 1.00 0.00 N ATOM 666 CA ARG A 517 3.387 -1.989 -8.830 1.00 0.00 C ATOM 667 C ARG A 517 4.134 -2.859 -9.837 1.00 0.00 C ATOM 668 O ARG A 517 4.814 -2.350 -10.728 1.00 0.00 O ATOM 669 CB ARG A 517 4.064 -2.080 -7.461 1.00 0.00 C ATOM 670 CG ARG A 517 5.521 -1.646 -7.473 1.00 0.00 C ATOM 671 CD ARG A 517 6.225 -2.025 -6.179 1.00 0.00 C ATOM 672 NE ARG A 517 6.570 -3.444 -6.140 1.00 0.00 N ATOM 673 CZ ARG A 517 7.514 -3.949 -5.353 1.00 0.00 C ATOM 674 NH1 ARG A 517 8.203 -3.155 -4.545 1.00 0.00 N ATOM 675 NH2 ARG A 517 7.770 -5.251 -5.374 1.00 0.00 N ATOM 0 H ARG A 517 1.663 -2.549 -7.778 1.00 0.00 H new ATOM 0 HA ARG A 517 3.417 -0.956 -9.175 1.00 0.00 H new ATOM 0 HB2 ARG A 517 3.515 -1.461 -6.751 1.00 0.00 H new ATOM 0 HB3 ARG A 517 4.002 -3.107 -7.102 1.00 0.00 H new ATOM 0 HG2 ARG A 517 6.033 -2.109 -8.316 1.00 0.00 H new ATOM 0 HG3 ARG A 517 5.579 -0.567 -7.618 1.00 0.00 H new ATOM 0 HD2 ARG A 517 7.131 -1.428 -6.071 1.00 0.00 H new ATOM 0 HD3 ARG A 517 5.582 -1.785 -5.332 1.00 0.00 H new ATOM 0 HE ARG A 517 6.058 -4.082 -6.750 1.00 0.00 H new ATOM 0 HH11 ARG A 517 8.009 -2.154 -4.526 1.00 0.00 H new ATOM 0 HH12 ARG A 517 8.927 -3.545 -3.942 1.00 0.00 H new ATOM 0 HH21 ARG A 517 7.242 -5.865 -5.995 1.00 0.00 H new ATOM 0 HH22 ARG A 517 8.495 -5.638 -4.770 1.00 0.00 H new ATOM 689 N ASP A 518 4.002 -4.172 -9.689 1.00 0.00 N ATOM 690 CA ASP A 518 4.663 -5.113 -10.585 1.00 0.00 C ATOM 691 C ASP A 518 4.244 -4.872 -12.032 1.00 0.00 C ATOM 692 O ASP A 518 5.074 -4.885 -12.941 1.00 0.00 O ATOM 693 CB ASP A 518 4.338 -6.552 -10.180 1.00 0.00 C ATOM 694 CG ASP A 518 5.336 -7.549 -10.733 1.00 0.00 C ATOM 695 OD1 ASP A 518 6.405 -7.116 -11.213 1.00 0.00 O ATOM 696 OD2 ASP A 518 5.049 -8.764 -10.686 1.00 0.00 O ATOM 0 H ASP A 518 3.443 -4.609 -8.956 1.00 0.00 H new ATOM 0 HA ASP A 518 5.739 -4.956 -10.506 1.00 0.00 H new ATOM 0 HB2 ASP A 518 4.321 -6.625 -9.093 1.00 0.00 H new ATOM 0 HB3 ASP A 518 3.339 -6.809 -10.533 1.00 0.00 H new ATOM 701 N LYS A 519 2.950 -4.653 -12.238 1.00 0.00 N ATOM 702 CA LYS A 519 2.418 -4.409 -13.574 1.00 0.00 C ATOM 703 C LYS A 519 3.082 -3.191 -14.210 1.00 0.00 C ATOM 704 O LYS A 519 3.771 -3.306 -15.224 1.00 0.00 O ATOM 705 CB LYS A 519 0.903 -4.202 -13.512 1.00 0.00 C ATOM 706 CG LYS A 519 0.259 -4.009 -14.874 1.00 0.00 C ATOM 707 CD LYS A 519 0.250 -2.546 -15.285 1.00 0.00 C ATOM 708 CE LYS A 519 -0.466 -1.683 -14.256 1.00 0.00 C ATOM 709 NZ LYS A 519 -0.955 -0.407 -14.847 1.00 0.00 N ATOM 0 H LYS A 519 2.250 -4.639 -11.497 1.00 0.00 H new ATOM 0 HA LYS A 519 2.635 -5.282 -14.189 1.00 0.00 H new ATOM 0 HB2 LYS A 519 0.447 -5.063 -13.023 1.00 0.00 H new ATOM 0 HB3 LYS A 519 0.689 -3.332 -12.892 1.00 0.00 H new ATOM 0 HG2 LYS A 519 0.799 -4.594 -15.619 1.00 0.00 H new ATOM 0 HG3 LYS A 519 -0.763 -4.388 -14.851 1.00 0.00 H new ATOM 0 HD2 LYS A 519 1.275 -2.195 -15.407 1.00 0.00 H new ATOM 0 HD3 LYS A 519 -0.240 -2.442 -16.253 1.00 0.00 H new ATOM 0 HE2 LYS A 519 -1.308 -2.237 -13.840 1.00 0.00 H new ATOM 0 HE3 LYS A 519 0.211 -1.465 -13.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 -1.437 0.153 -14.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 -0.149 0.133 -15.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 -1.621 -0.614 -15.618 1.00 0.00 H new ATOM 723 N THR A 520 2.873 -2.026 -13.606 1.00 0.00 N ATOM 724 CA THR A 520 3.452 -0.788 -14.113 1.00 0.00 C ATOM 725 C THR A 520 4.968 -0.896 -14.227 1.00 0.00 C ATOM 726 O THR A 520 5.552 -0.521 -15.244 1.00 0.00 O ATOM 727 CB THR A 520 3.101 0.408 -13.208 1.00 0.00 C ATOM 728 OG1 THR A 520 1.680 0.513 -13.062 1.00 0.00 O ATOM 729 CG2 THR A 520 3.654 1.703 -13.784 1.00 0.00 C ATOM 0 H THR A 520 2.307 -1.914 -12.765 1.00 0.00 H new ATOM 0 HA THR A 520 3.027 -0.623 -15.103 1.00 0.00 H new ATOM 0 HB THR A 520 3.554 0.241 -12.231 1.00 0.00 H new ATOM 0 HG1 THR A 520 1.466 1.275 -12.484 1.00 0.00 H new ATOM 0 HG21 THR A 520 3.394 2.534 -13.128 1.00 0.00 H new ATOM 0 HG22 THR A 520 4.739 1.631 -13.865 1.00 0.00 H new ATOM 0 HG23 THR A 520 3.227 1.873 -14.772 1.00 0.00 H new ATOM 737 N ALA A 521 5.601 -1.412 -13.178 1.00 0.00 N ATOM 738 CA ALA A 521 7.050 -1.572 -13.163 1.00 0.00 C ATOM 739 C ALA A 521 7.579 -1.910 -14.553 1.00 0.00 C ATOM 740 O ALA A 521 8.474 -1.239 -15.066 1.00 0.00 O ATOM 741 CB ALA A 521 7.451 -2.650 -12.167 1.00 0.00 C ATOM 0 H ALA A 521 5.133 -1.726 -12.328 1.00 0.00 H new ATOM 0 HA ALA A 521 7.493 -0.625 -12.855 1.00 0.00 H new ATOM 0 HB1 ALA A 521 8.536 -2.759 -12.166 1.00 0.00 H new ATOM 0 HB2 ALA A 521 7.114 -2.368 -11.170 1.00 0.00 H new ATOM 0 HB3 ALA A 521 6.991 -3.597 -12.451 1.00 0.00 H new ATOM 747 N ARG A 522 7.021 -2.955 -15.156 1.00 0.00 N ATOM 748 CA ARG A 522 7.439 -3.382 -16.485 1.00 0.00 C ATOM 749 C ARG A 522 7.255 -2.258 -17.501 1.00 0.00 C ATOM 750 O ARG A 522 8.215 -1.811 -18.128 1.00 0.00 O ATOM 751 CB ARG A 522 6.644 -4.614 -16.922 1.00 0.00 C ATOM 752 CG ARG A 522 7.402 -5.521 -17.878 1.00 0.00 C ATOM 753 CD ARG A 522 6.773 -6.904 -17.950 1.00 0.00 C ATOM 754 NE ARG A 522 7.410 -7.742 -18.962 1.00 0.00 N ATOM 755 CZ ARG A 522 8.625 -8.262 -18.828 1.00 0.00 C ATOM 756 NH1 ARG A 522 9.331 -8.031 -17.730 1.00 0.00 N ATOM 757 NH2 ARG A 522 9.136 -9.015 -19.794 1.00 0.00 N ATOM 0 H ARG A 522 6.279 -3.521 -14.745 1.00 0.00 H new ATOM 0 HA ARG A 522 8.498 -3.638 -16.440 1.00 0.00 H new ATOM 0 HB2 ARG A 522 6.362 -5.186 -16.038 1.00 0.00 H new ATOM 0 HB3 ARG A 522 5.720 -4.289 -17.399 1.00 0.00 H new ATOM 0 HG2 ARG A 522 7.415 -5.074 -18.872 1.00 0.00 H new ATOM 0 HG3 ARG A 522 8.439 -5.608 -17.554 1.00 0.00 H new ATOM 0 HD2 ARG A 522 6.850 -7.389 -16.977 1.00 0.00 H new ATOM 0 HD3 ARG A 522 5.711 -6.808 -18.175 1.00 0.00 H new ATOM 0 HE ARG A 522 6.893 -7.939 -19.819 1.00 0.00 H new ATOM 0 HH11 ARG A 522 8.941 -7.453 -16.985 1.00 0.00 H new ATOM 0 HH12 ARG A 522 10.264 -8.432 -17.630 1.00 0.00 H new ATOM 0 HH21 ARG A 522 8.596 -9.195 -20.640 1.00 0.00 H new ATOM 0 HH22 ARG A 522 10.069 -9.414 -19.690 1.00 0.00 H new ATOM 771 N ARG A 523 6.014 -1.808 -17.658 1.00 0.00 N ATOM 772 CA ARG A 523 5.703 -0.738 -18.599 1.00 0.00 C ATOM 773 C ARG A 523 6.696 0.412 -18.461 1.00 0.00 C ATOM 774 O ARG A 523 7.190 0.941 -19.456 1.00 0.00 O ATOM 775 CB ARG A 523 4.279 -0.228 -18.371 1.00 0.00 C ATOM 776 CG ARG A 523 3.222 -1.013 -19.129 1.00 0.00 C ATOM 777 CD ARG A 523 3.146 -0.584 -20.585 1.00 0.00 C ATOM 778 NE ARG A 523 2.519 0.727 -20.737 1.00 0.00 N ATOM 779 CZ ARG A 523 1.204 0.914 -20.760 1.00 0.00 C ATOM 780 NH1 ARG A 523 0.382 -0.119 -20.641 1.00 0.00 N ATOM 781 NH2 ARG A 523 0.710 2.137 -20.902 1.00 0.00 N ATOM 0 H ARG A 523 5.208 -2.167 -17.146 1.00 0.00 H new ATOM 0 HA ARG A 523 5.779 -1.141 -19.609 1.00 0.00 H new ATOM 0 HB2 ARG A 523 4.054 -0.268 -17.305 1.00 0.00 H new ATOM 0 HB3 ARG A 523 4.225 0.819 -18.669 1.00 0.00 H new ATOM 0 HG2 ARG A 523 3.449 -2.078 -19.074 1.00 0.00 H new ATOM 0 HG3 ARG A 523 2.251 -0.869 -18.655 1.00 0.00 H new ATOM 0 HD2 ARG A 523 4.150 -0.557 -21.008 1.00 0.00 H new ATOM 0 HD3 ARG A 523 2.581 -1.324 -21.152 1.00 0.00 H new ATOM 0 HE ARG A 523 3.124 1.543 -20.831 1.00 0.00 H new ATOM 0 HH11 ARG A 523 0.759 -1.061 -20.531 1.00 0.00 H new ATOM 0 HH12 ARG A 523 -0.627 0.028 -20.659 1.00 0.00 H new ATOM 0 HH21 ARG A 523 1.340 2.934 -20.994 1.00 0.00 H new ATOM 0 HH22 ARG A 523 -0.300 2.280 -20.920 1.00 0.00 H new ATOM 795 N GLU A 524 6.982 0.795 -17.220 1.00 0.00 N ATOM 796 CA GLU A 524 7.915 1.884 -16.953 1.00 0.00 C ATOM 797 C GLU A 524 9.354 1.439 -17.197 1.00 0.00 C ATOM 798 O GLU A 524 10.217 2.251 -17.533 1.00 0.00 O ATOM 799 CB GLU A 524 7.759 2.377 -15.513 1.00 0.00 C ATOM 800 CG GLU A 524 6.545 3.265 -15.302 1.00 0.00 C ATOM 801 CD GLU A 524 6.481 4.412 -16.293 1.00 0.00 C ATOM 802 OE1 GLU A 524 7.230 5.394 -16.112 1.00 0.00 O ATOM 803 OE2 GLU A 524 5.682 4.325 -17.249 1.00 0.00 O ATOM 0 H GLU A 524 6.582 0.368 -16.385 1.00 0.00 H new ATOM 0 HA GLU A 524 7.685 2.702 -17.636 1.00 0.00 H new ATOM 0 HB2 GLU A 524 7.688 1.516 -14.849 1.00 0.00 H new ATOM 0 HB3 GLU A 524 8.655 2.927 -15.227 1.00 0.00 H new ATOM 0 HG2 GLU A 524 5.640 2.664 -15.389 1.00 0.00 H new ATOM 0 HG3 GLU A 524 6.565 3.666 -14.289 1.00 0.00 H new ATOM 810 N ASP A 525 9.605 0.146 -17.025 1.00 0.00 N ATOM 811 CA ASP A 525 10.939 -0.407 -17.226 1.00 0.00 C ATOM 812 C ASP A 525 11.927 0.176 -16.221 1.00 0.00 C ATOM 813 O ASP A 525 13.061 0.504 -16.570 1.00 0.00 O ATOM 814 CB ASP A 525 11.420 -0.130 -18.652 1.00 0.00 C ATOM 815 CG ASP A 525 12.665 -0.919 -19.007 1.00 0.00 C ATOM 816 OD1 ASP A 525 12.548 -2.142 -19.233 1.00 0.00 O ATOM 817 OD2 ASP A 525 13.755 -0.313 -19.059 1.00 0.00 O ATOM 0 H ASP A 525 8.902 -0.539 -16.747 1.00 0.00 H new ATOM 0 HA ASP A 525 10.885 -1.485 -17.072 1.00 0.00 H new ATOM 0 HB2 ASP A 525 10.624 -0.377 -19.355 1.00 0.00 H new ATOM 0 HB3 ASP A 525 11.624 0.935 -18.763 1.00 0.00 H new ATOM 822 N GLU A 526 11.488 0.303 -14.972 1.00 0.00 N ATOM 823 CA GLU A 526 12.334 0.848 -13.917 1.00 0.00 C ATOM 824 C GLU A 526 12.357 -0.078 -12.705 1.00 0.00 C ATOM 825 O GLU A 526 11.496 -0.945 -12.556 1.00 0.00 O ATOM 826 CB GLU A 526 11.840 2.236 -13.503 1.00 0.00 C ATOM 827 CG GLU A 526 12.946 3.154 -13.011 1.00 0.00 C ATOM 828 CD GLU A 526 13.928 3.522 -14.106 1.00 0.00 C ATOM 829 OE1 GLU A 526 14.853 2.724 -14.367 1.00 0.00 O ATOM 830 OE2 GLU A 526 13.772 4.609 -14.701 1.00 0.00 O ATOM 0 H GLU A 526 10.552 0.036 -14.667 1.00 0.00 H new ATOM 0 HA GLU A 526 13.348 0.932 -14.307 1.00 0.00 H new ATOM 0 HB2 GLU A 526 11.342 2.704 -14.353 1.00 0.00 H new ATOM 0 HB3 GLU A 526 11.093 2.127 -12.717 1.00 0.00 H new ATOM 0 HG2 GLU A 526 12.504 4.063 -12.604 1.00 0.00 H new ATOM 0 HG3 GLU A 526 13.482 2.667 -12.196 1.00 0.00 H new ATOM 837 N SER A 527 13.350 0.112 -11.842 1.00 0.00 N ATOM 838 CA SER A 527 13.489 -0.709 -10.644 1.00 0.00 C ATOM 839 C SER A 527 12.295 -0.518 -9.713 1.00 0.00 C ATOM 840 O SER A 527 11.795 0.595 -9.547 1.00 0.00 O ATOM 841 CB SER A 527 14.784 -0.360 -9.909 1.00 0.00 C ATOM 842 OG SER A 527 14.796 -0.915 -8.605 1.00 0.00 O ATOM 0 H SER A 527 14.070 0.827 -11.950 1.00 0.00 H new ATOM 0 HA SER A 527 13.524 -1.754 -10.951 1.00 0.00 H new ATOM 0 HB2 SER A 527 15.638 -0.733 -10.474 1.00 0.00 H new ATOM 0 HB3 SER A 527 14.890 0.723 -9.848 1.00 0.00 H new ATOM 0 HG SER A 527 15.635 -0.679 -8.157 1.00 0.00 H new ATOM 848 N TYR A 528 11.845 -1.611 -9.108 1.00 0.00 N ATOM 849 CA TYR A 528 10.709 -1.566 -8.195 1.00 0.00 C ATOM 850 C TYR A 528 10.875 -0.446 -7.173 1.00 0.00 C ATOM 851 O TYR A 528 10.036 0.448 -7.073 1.00 0.00 O ATOM 852 CB TYR A 528 10.551 -2.908 -7.477 1.00 0.00 C ATOM 853 CG TYR A 528 10.232 -4.058 -8.405 1.00 0.00 C ATOM 854 CD1 TYR A 528 8.932 -4.286 -8.838 1.00 0.00 C ATOM 855 CD2 TYR A 528 11.231 -4.917 -8.848 1.00 0.00 C ATOM 856 CE1 TYR A 528 8.636 -5.336 -9.686 1.00 0.00 C ATOM 857 CE2 TYR A 528 10.944 -5.968 -9.697 1.00 0.00 C ATOM 858 CZ TYR A 528 9.645 -6.174 -10.113 1.00 0.00 C ATOM 859 OH TYR A 528 9.355 -7.221 -10.957 1.00 0.00 O ATOM 0 H TYR A 528 12.249 -2.539 -9.233 1.00 0.00 H new ATOM 0 HA TYR A 528 9.812 -1.368 -8.782 1.00 0.00 H new ATOM 0 HB2 TYR A 528 11.471 -3.132 -6.937 1.00 0.00 H new ATOM 0 HB3 TYR A 528 9.759 -2.822 -6.734 1.00 0.00 H new ATOM 0 HD1 TYR A 528 8.139 -3.632 -8.506 1.00 0.00 H new ATOM 0 HD2 TYR A 528 12.249 -4.760 -8.523 1.00 0.00 H new ATOM 0 HE1 TYR A 528 7.620 -5.500 -10.013 1.00 0.00 H new ATOM 0 HE2 TYR A 528 11.732 -6.625 -10.033 1.00 0.00 H new ATOM 0 HH TYR A 528 8.388 -7.256 -11.114 1.00 0.00 H new ATOM 869 N GLY A 529 11.966 -0.502 -6.416 1.00 0.00 N ATOM 870 CA GLY A 529 12.225 0.513 -5.411 1.00 0.00 C ATOM 871 C GLY A 529 11.849 1.904 -5.882 1.00 0.00 C ATOM 872 O GLY A 529 11.264 2.685 -5.131 1.00 0.00 O ATOM 0 H GLY A 529 12.675 -1.232 -6.480 1.00 0.00 H new ATOM 0 HA2 GLY A 529 11.665 0.275 -4.506 1.00 0.00 H new ATOM 0 HA3 GLY A 529 13.282 0.496 -5.146 1.00 0.00 H new ATOM 876 N TYR A 530 12.186 2.216 -7.129 1.00 0.00 N ATOM 877 CA TYR A 530 11.883 3.524 -7.698 1.00 0.00 C ATOM 878 C TYR A 530 10.377 3.720 -7.843 1.00 0.00 C ATOM 879 O TYR A 530 9.830 4.742 -7.429 1.00 0.00 O ATOM 880 CB TYR A 530 12.563 3.681 -9.059 1.00 0.00 C ATOM 881 CG TYR A 530 12.107 4.901 -9.827 1.00 0.00 C ATOM 882 CD1 TYR A 530 12.625 6.158 -9.543 1.00 0.00 C ATOM 883 CD2 TYR A 530 11.157 4.796 -10.836 1.00 0.00 C ATOM 884 CE1 TYR A 530 12.210 7.276 -10.241 1.00 0.00 C ATOM 885 CE2 TYR A 530 10.738 5.908 -11.541 1.00 0.00 C ATOM 886 CZ TYR A 530 11.267 7.146 -11.239 1.00 0.00 C ATOM 887 OH TYR A 530 10.851 8.256 -11.938 1.00 0.00 O ATOM 0 H TYR A 530 12.669 1.581 -7.765 1.00 0.00 H new ATOM 0 HA TYR A 530 12.266 4.285 -7.018 1.00 0.00 H new ATOM 0 HB2 TYR A 530 13.642 3.737 -8.912 1.00 0.00 H new ATOM 0 HB3 TYR A 530 12.368 2.791 -9.658 1.00 0.00 H new ATOM 0 HD1 TYR A 530 13.365 6.263 -8.763 1.00 0.00 H new ATOM 0 HD2 TYR A 530 10.739 3.829 -11.073 1.00 0.00 H new ATOM 0 HE1 TYR A 530 12.622 8.246 -10.006 1.00 0.00 H new ATOM 0 HE2 TYR A 530 10.001 5.809 -12.324 1.00 0.00 H new ATOM 0 HH TYR A 530 10.185 7.991 -12.606 1.00 0.00 H new ATOM 897 N VAL A 531 9.713 2.732 -8.435 1.00 0.00 N ATOM 898 CA VAL A 531 8.270 2.793 -8.634 1.00 0.00 C ATOM 899 C VAL A 531 7.538 2.954 -7.306 1.00 0.00 C ATOM 900 O VAL A 531 6.893 3.974 -7.060 1.00 0.00 O ATOM 901 CB VAL A 531 7.748 1.531 -9.346 1.00 0.00 C ATOM 902 CG1 VAL A 531 6.233 1.580 -9.476 1.00 0.00 C ATOM 903 CG2 VAL A 531 8.404 1.379 -10.710 1.00 0.00 C ATOM 0 H VAL A 531 10.151 1.880 -8.785 1.00 0.00 H new ATOM 0 HA VAL A 531 8.073 3.663 -9.261 1.00 0.00 H new ATOM 0 HB VAL A 531 8.009 0.661 -8.744 1.00 0.00 H new ATOM 0 HG11 VAL A 531 5.882 0.680 -9.981 1.00 0.00 H new ATOM 0 HG12 VAL A 531 5.784 1.638 -8.484 1.00 0.00 H new ATOM 0 HG13 VAL A 531 5.946 2.457 -10.056 1.00 0.00 H new ATOM 0 HG21 VAL A 531 8.023 0.482 -11.199 1.00 0.00 H new ATOM 0 HG22 VAL A 531 8.176 2.251 -11.323 1.00 0.00 H new ATOM 0 HG23 VAL A 531 9.484 1.295 -10.587 1.00 0.00 H new ATOM 913 N LEU A 532 7.643 1.942 -6.453 1.00 0.00 N ATOM 914 CA LEU A 532 6.991 1.970 -5.148 1.00 0.00 C ATOM 915 C LEU A 532 7.655 0.989 -4.187 1.00 0.00 C ATOM 916 O LEU A 532 7.472 -0.225 -4.275 1.00 0.00 O ATOM 917 CB LEU A 532 5.505 1.636 -5.291 1.00 0.00 C ATOM 918 CG LEU A 532 4.673 1.718 -4.011 1.00 0.00 C ATOM 919 CD1 LEU A 532 4.364 3.167 -3.667 1.00 0.00 C ATOM 920 CD2 LEU A 532 3.388 0.917 -4.158 1.00 0.00 C ATOM 0 H LEU A 532 8.173 1.091 -6.641 1.00 0.00 H new ATOM 0 HA LEU A 532 7.093 2.975 -4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 532 5.070 2.312 -6.027 1.00 0.00 H new ATOM 0 HB3 LEU A 532 5.417 0.627 -5.694 1.00 0.00 H new ATOM 0 HG LEU A 532 5.254 1.288 -3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 532 3.771 3.206 -2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 532 5.296 3.712 -3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 532 3.803 3.623 -4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 532 2.808 0.987 -3.237 1.00 0.00 H new ATOM 0 HD22 LEU A 532 2.803 1.317 -4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 532 3.631 -0.127 -4.356 1.00 0.00 H new ATOM 932 N PRO A 533 8.443 1.526 -3.243 1.00 0.00 N ATOM 933 CA PRO A 533 9.147 0.717 -2.245 1.00 0.00 C ATOM 934 C PRO A 533 8.196 0.089 -1.232 1.00 0.00 C ATOM 935 O PRO A 533 6.999 0.373 -1.232 1.00 0.00 O ATOM 936 CB PRO A 533 10.071 1.725 -1.558 1.00 0.00 C ATOM 937 CG PRO A 533 9.401 3.043 -1.747 1.00 0.00 C ATOM 938 CD PRO A 533 8.706 2.966 -3.078 1.00 0.00 C ATOM 0 HA PRO A 533 9.673 -0.123 -2.699 1.00 0.00 H new ATOM 0 HB2 PRO A 533 10.195 1.492 -0.500 1.00 0.00 H new ATOM 0 HB3 PRO A 533 11.065 1.719 -2.004 1.00 0.00 H new ATOM 0 HG2 PRO A 533 8.689 3.237 -0.945 1.00 0.00 H new ATOM 0 HG3 PRO A 533 10.127 3.856 -1.732 1.00 0.00 H new ATOM 0 HD2 PRO A 533 7.783 3.546 -3.084 1.00 0.00 H new ATOM 0 HD3 PRO A 533 9.332 3.355 -3.881 1.00 0.00 H new ATOM 946 N ASN A 534 8.737 -0.765 -0.369 1.00 0.00 N ATOM 947 CA ASN A 534 7.936 -1.433 0.650 1.00 0.00 C ATOM 948 C ASN A 534 7.332 -0.420 1.618 1.00 0.00 C ATOM 949 O ASN A 534 6.117 -0.225 1.650 1.00 0.00 O ATOM 950 CB ASN A 534 8.789 -2.444 1.418 1.00 0.00 C ATOM 951 CG ASN A 534 7.978 -3.621 1.923 1.00 0.00 C ATOM 952 OD1 ASN A 534 6.906 -3.332 2.652 1.00 0.00 O flip ATOM 953 ND2 ASN A 534 8.310 -4.777 1.660 1.00 0.00 N flip ATOM 0 H ASN A 534 9.727 -1.011 -0.355 1.00 0.00 H new ATOM 0 HA ASN A 534 7.123 -1.960 0.150 1.00 0.00 H new ATOM 0 HB2 ASN A 534 9.587 -2.808 0.771 1.00 0.00 H new ATOM 0 HB3 ASN A 534 9.265 -1.946 2.262 1.00 0.00 H new ATOM 0 HD21 ASN A 534 9.142 -4.953 1.096 1.00 0.00 H new ATOM 0 HD22 ASN A 534 7.753 -5.559 2.006 1.00 0.00 H new ATOM 960 N HIS A 535 8.190 0.222 2.405 1.00 0.00 N ATOM 961 CA HIS A 535 7.741 1.216 3.373 1.00 0.00 C ATOM 962 C HIS A 535 6.565 2.018 2.824 1.00 0.00 C ATOM 963 O HIS A 535 5.512 2.104 3.455 1.00 0.00 O ATOM 964 CB HIS A 535 8.889 2.158 3.738 1.00 0.00 C ATOM 965 CG HIS A 535 9.016 3.333 2.818 1.00 0.00 C ATOM 966 ND1 HIS A 535 8.442 4.558 2.862 1.00 0.00 N flip ATOM 967 CD2 HIS A 535 9.809 3.324 1.690 1.00 0.00 C flip ATOM 968 CE1 HIS A 535 8.895 5.260 1.773 1.00 0.00 C flip ATOM 969 NE2 HIS A 535 9.719 4.493 1.082 1.00 0.00 N flip ATOM 0 H HIS A 535 9.199 0.072 2.391 1.00 0.00 H new ATOM 0 HA HIS A 535 7.412 0.690 4.270 1.00 0.00 H new ATOM 0 HB2 HIS A 535 8.742 2.519 4.756 1.00 0.00 H new ATOM 0 HB3 HIS A 535 9.824 1.598 3.730 1.00 0.00 H new ATOM 0 HD1 HIS A 535 7.793 4.897 3.573 1.00 0.00 H new ATOM 0 HD2 HIS A 535 10.410 2.491 1.356 1.00 0.00 H new ATOM 0 HE1 HIS A 535 8.622 6.274 1.522 1.00 0.00 H new ATOM 977 N MET A 536 6.753 2.603 1.646 1.00 0.00 N ATOM 978 CA MET A 536 5.707 3.397 1.012 1.00 0.00 C ATOM 979 C MET A 536 4.439 2.571 0.817 1.00 0.00 C ATOM 980 O MET A 536 3.384 2.901 1.357 1.00 0.00 O ATOM 981 CB MET A 536 6.191 3.935 -0.336 1.00 0.00 C ATOM 982 CG MET A 536 5.285 5.003 -0.925 1.00 0.00 C ATOM 983 SD MET A 536 6.113 6.006 -2.174 1.00 0.00 S ATOM 984 CE MET A 536 7.135 7.055 -1.143 1.00 0.00 C ATOM 0 H MET A 536 7.619 2.542 1.111 1.00 0.00 H new ATOM 0 HA MET A 536 5.475 4.236 1.668 1.00 0.00 H new ATOM 0 HB2 MET A 536 7.193 4.347 -0.215 1.00 0.00 H new ATOM 0 HB3 MET A 536 6.269 3.108 -1.041 1.00 0.00 H new ATOM 0 HG2 MET A 536 4.410 4.527 -1.368 1.00 0.00 H new ATOM 0 HG3 MET A 536 4.925 5.650 -0.125 1.00 0.00 H new ATOM 0 HE1 MET A 536 7.515 7.887 -1.735 1.00 0.00 H new ATOM 0 HE2 MET A 536 6.541 7.441 -0.314 1.00 0.00 H new ATOM 0 HE3 MET A 536 7.971 6.476 -0.751 1.00 0.00 H new ATOM 994 N MET A 537 4.552 1.497 0.043 1.00 0.00 N ATOM 995 CA MET A 537 3.414 0.623 -0.221 1.00 0.00 C ATOM 996 C MET A 537 2.625 0.357 1.057 1.00 0.00 C ATOM 997 O MET A 537 1.404 0.519 1.090 1.00 0.00 O ATOM 998 CB MET A 537 3.889 -0.699 -0.827 1.00 0.00 C ATOM 999 CG MET A 537 2.758 -1.568 -1.351 1.00 0.00 C ATOM 1000 SD MET A 537 3.264 -2.606 -2.736 1.00 0.00 S ATOM 1001 CE MET A 537 4.537 -3.602 -1.966 1.00 0.00 C ATOM 0 H MET A 537 5.419 1.211 -0.412 1.00 0.00 H new ATOM 0 HA MET A 537 2.759 1.125 -0.933 1.00 0.00 H new ATOM 0 HB2 MET A 537 4.581 -0.488 -1.642 1.00 0.00 H new ATOM 0 HB3 MET A 537 4.445 -1.256 -0.073 1.00 0.00 H new ATOM 0 HG2 MET A 537 2.387 -2.201 -0.544 1.00 0.00 H new ATOM 0 HG3 MET A 537 1.930 -0.931 -1.663 1.00 0.00 H new ATOM 0 HE1 MET A 537 5.137 -4.085 -2.737 1.00 0.00 H new ATOM 0 HE2 MET A 537 5.176 -2.966 -1.354 1.00 0.00 H new ATOM 0 HE3 MET A 537 4.074 -4.362 -1.338 1.00 0.00 H new ATOM 1011 N LEU A 538 3.328 -0.053 2.106 1.00 0.00 N ATOM 1012 CA LEU A 538 2.693 -0.342 3.387 1.00 0.00 C ATOM 1013 C LEU A 538 1.965 0.886 3.924 1.00 0.00 C ATOM 1014 O LEU A 538 0.764 0.842 4.191 1.00 0.00 O ATOM 1015 CB LEU A 538 3.737 -0.814 4.401 1.00 0.00 C ATOM 1016 CG LEU A 538 4.171 -2.276 4.286 1.00 0.00 C ATOM 1017 CD1 LEU A 538 5.417 -2.529 5.120 1.00 0.00 C ATOM 1018 CD2 LEU A 538 3.043 -3.203 4.714 1.00 0.00 C ATOM 0 H LEU A 538 4.338 -0.193 2.095 1.00 0.00 H new ATOM 0 HA LEU A 538 1.962 -1.135 3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 538 4.621 -0.184 4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 538 3.341 -0.651 5.403 1.00 0.00 H new ATOM 0 HG LEU A 538 4.408 -2.484 3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 538 5.711 -3.574 5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 538 6.227 -1.891 4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 538 5.207 -2.304 6.166 1.00 0.00 H new ATOM 0 HD21 LEU A 538 3.370 -4.239 4.626 1.00 0.00 H new ATOM 0 HD22 LEU A 538 2.774 -2.995 5.749 1.00 0.00 H new ATOM 0 HD23 LEU A 538 2.176 -3.040 4.074 1.00 0.00 H new ATOM 1030 N LYS A 539 2.700 1.982 4.078 1.00 0.00 N ATOM 1031 CA LYS A 539 2.125 3.225 4.579 1.00 0.00 C ATOM 1032 C LYS A 539 0.734 3.455 3.997 1.00 0.00 C ATOM 1033 O LYS A 539 -0.244 3.582 4.734 1.00 0.00 O ATOM 1034 CB LYS A 539 3.034 4.407 4.235 1.00 0.00 C ATOM 1035 CG LYS A 539 2.621 5.707 4.903 1.00 0.00 C ATOM 1036 CD LYS A 539 3.814 6.619 5.134 1.00 0.00 C ATOM 1037 CE LYS A 539 4.286 7.258 3.837 1.00 0.00 C ATOM 1038 NZ LYS A 539 5.671 7.792 3.954 1.00 0.00 N ATOM 0 H LYS A 539 3.696 2.035 3.863 1.00 0.00 H new ATOM 0 HA LYS A 539 2.038 3.144 5.663 1.00 0.00 H new ATOM 0 HB2 LYS A 539 4.056 4.166 4.529 1.00 0.00 H new ATOM 0 HB3 LYS A 539 3.038 4.549 3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 539 1.886 6.219 4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 539 2.138 5.490 5.856 1.00 0.00 H new ATOM 0 HD2 LYS A 539 3.545 7.398 5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 539 4.630 6.048 5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 539 4.247 6.522 3.034 1.00 0.00 H new ATOM 0 HE3 LYS A 539 3.607 8.065 3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 539 5.956 8.219 3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 539 5.703 8.513 4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 539 6.323 7.017 4.191 1.00 0.00 H new ATOM 1052 N ILE A 540 0.653 3.505 2.672 1.00 0.00 N ATOM 1053 CA ILE A 540 -0.619 3.716 1.992 1.00 0.00 C ATOM 1054 C ILE A 540 -1.586 2.570 2.266 1.00 0.00 C ATOM 1055 O ILE A 540 -2.686 2.780 2.776 1.00 0.00 O ATOM 1056 CB ILE A 540 -0.428 3.858 0.470 1.00 0.00 C ATOM 1057 CG1 ILE A 540 0.484 5.047 0.158 1.00 0.00 C ATOM 1058 CG2 ILE A 540 -1.774 4.021 -0.220 1.00 0.00 C ATOM 1059 CD1 ILE A 540 1.216 4.917 -1.160 1.00 0.00 C ATOM 0 H ILE A 540 1.453 3.402 2.048 1.00 0.00 H new ATOM 0 HA ILE A 540 -1.036 4.643 2.386 1.00 0.00 H new ATOM 0 HB ILE A 540 0.045 2.952 0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -0.113 5.959 0.145 1.00 0.00 H new ATOM 0 HG13 ILE A 540 1.214 5.156 0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -1.622 4.120 -1.295 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -2.394 3.147 -0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -2.272 4.913 0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 540 1.843 5.795 -1.316 1.00 0.00 H new ATOM 0 HD12 ILE A 540 1.840 4.023 -1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 540 0.493 4.839 -1.972 1.00 0.00 H new ATOM 1071 N ALA A 541 -1.168 1.355 1.926 1.00 0.00 N ATOM 1072 CA ALA A 541 -1.995 0.174 2.139 1.00 0.00 C ATOM 1073 C ALA A 541 -2.682 0.223 3.499 1.00 0.00 C ATOM 1074 O ALA A 541 -3.849 -0.143 3.628 1.00 0.00 O ATOM 1075 CB ALA A 541 -1.154 -1.088 2.015 1.00 0.00 C ATOM 0 H ALA A 541 -0.261 1.163 1.502 1.00 0.00 H new ATOM 0 HA ALA A 541 -2.769 0.159 1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -1.784 -1.963 2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 541 -0.715 -1.136 1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 541 -0.360 -1.071 2.761 1.00 0.00 H new ATOM 1081 N GLU A 542 -1.949 0.678 4.511 1.00 0.00 N ATOM 1082 CA GLU A 542 -2.489 0.773 5.862 1.00 0.00 C ATOM 1083 C GLU A 542 -3.429 1.969 5.990 1.00 0.00 C ATOM 1084 O GLU A 542 -4.479 1.880 6.625 1.00 0.00 O ATOM 1085 CB GLU A 542 -1.355 0.892 6.882 1.00 0.00 C ATOM 1086 CG GLU A 542 -0.395 -0.286 6.863 1.00 0.00 C ATOM 1087 CD GLU A 542 0.734 -0.134 7.865 1.00 0.00 C ATOM 1088 OE1 GLU A 542 1.400 0.922 7.854 1.00 0.00 O ATOM 1089 OE2 GLU A 542 0.951 -1.073 8.660 1.00 0.00 O ATOM 0 H GLU A 542 -0.981 0.986 4.421 1.00 0.00 H new ATOM 0 HA GLU A 542 -3.055 -0.136 6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -0.797 1.808 6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -1.783 0.985 7.880 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -0.945 -1.202 7.077 1.00 0.00 H new ATOM 0 HG3 GLU A 542 0.024 -0.393 5.862 1.00 0.00 H new ATOM 1096 N GLU A 543 -3.042 3.086 5.381 1.00 0.00 N ATOM 1097 CA GLU A 543 -3.849 4.299 5.428 1.00 0.00 C ATOM 1098 C GLU A 543 -5.252 4.041 4.886 1.00 0.00 C ATOM 1099 O GLU A 543 -6.248 4.431 5.497 1.00 0.00 O ATOM 1100 CB GLU A 543 -3.178 5.416 4.626 1.00 0.00 C ATOM 1101 CG GLU A 543 -2.160 6.212 5.424 1.00 0.00 C ATOM 1102 CD GLU A 543 -1.825 7.543 4.780 1.00 0.00 C ATOM 1103 OE1 GLU A 543 -2.732 8.155 4.177 1.00 0.00 O ATOM 1104 OE2 GLU A 543 -0.657 7.973 4.879 1.00 0.00 O ATOM 0 H GLU A 543 -2.176 3.175 4.850 1.00 0.00 H new ATOM 0 HA GLU A 543 -3.932 4.609 6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -2.686 4.982 3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -3.945 6.094 4.252 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -2.547 6.386 6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -1.248 5.625 5.531 1.00 0.00 H new ATOM 1111 N LEU A 544 -5.323 3.382 3.735 1.00 0.00 N ATOM 1112 CA LEU A 544 -6.603 3.071 3.109 1.00 0.00 C ATOM 1113 C LEU A 544 -7.401 4.343 2.840 1.00 0.00 C ATOM 1114 O LEU A 544 -8.570 4.461 3.207 1.00 0.00 O ATOM 1115 CB LEU A 544 -7.412 2.126 3.998 1.00 0.00 C ATOM 1116 CG LEU A 544 -6.807 0.741 4.232 1.00 0.00 C ATOM 1117 CD1 LEU A 544 -7.791 -0.154 4.970 1.00 0.00 C ATOM 1118 CD2 LEU A 544 -6.395 0.109 2.911 1.00 0.00 C ATOM 0 H LEU A 544 -4.509 3.053 3.216 1.00 0.00 H new ATOM 0 HA LEU A 544 -6.404 2.581 2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 544 -7.557 2.605 4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 544 -8.400 1.999 3.554 1.00 0.00 H new ATOM 0 HG LEU A 544 -5.917 0.854 4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 544 -7.343 -1.135 5.127 1.00 0.00 H new ATOM 0 HD12 LEU A 544 -8.036 0.292 5.934 1.00 0.00 H new ATOM 0 HD13 LEU A 544 -8.700 -0.261 4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 544 -5.967 -0.876 3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 544 -7.269 0.009 2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 544 -5.654 0.740 2.421 1.00 0.00 H new ATOM 1130 N PRO A 545 -6.757 5.318 2.182 1.00 0.00 N ATOM 1131 CA PRO A 545 -7.388 6.598 1.847 1.00 0.00 C ATOM 1132 C PRO A 545 -8.463 6.451 0.776 1.00 0.00 C ATOM 1133 O PRO A 545 -8.171 6.102 -0.369 1.00 0.00 O ATOM 1134 CB PRO A 545 -6.223 7.442 1.323 1.00 0.00 C ATOM 1135 CG PRO A 545 -5.232 6.449 0.821 1.00 0.00 C ATOM 1136 CD PRO A 545 -5.363 5.246 1.714 1.00 0.00 C ATOM 0 HA PRO A 545 -7.899 7.037 2.704 1.00 0.00 H new ATOM 0 HB2 PRO A 545 -6.547 8.114 0.529 1.00 0.00 H new ATOM 0 HB3 PRO A 545 -5.797 8.062 2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 545 -5.433 6.188 -0.218 1.00 0.00 H new ATOM 0 HG3 PRO A 545 -4.221 6.854 0.858 1.00 0.00 H new ATOM 0 HD2 PRO A 545 -5.168 4.320 1.172 1.00 0.00 H new ATOM 0 HD3 PRO A 545 -4.658 5.283 2.544 1.00 0.00 H new ATOM 1144 N LYS A 546 -9.709 6.719 1.153 1.00 0.00 N ATOM 1145 CA LYS A 546 -10.829 6.619 0.225 1.00 0.00 C ATOM 1146 C LYS A 546 -10.594 7.488 -1.007 1.00 0.00 C ATOM 1147 O LYS A 546 -10.886 7.079 -2.130 1.00 0.00 O ATOM 1148 CB LYS A 546 -12.129 7.036 0.915 1.00 0.00 C ATOM 1149 CG LYS A 546 -12.143 8.488 1.360 1.00 0.00 C ATOM 1150 CD LYS A 546 -13.438 8.840 2.074 1.00 0.00 C ATOM 1151 CE LYS A 546 -14.501 9.318 1.097 1.00 0.00 C ATOM 1152 NZ LYS A 546 -15.674 9.909 1.799 1.00 0.00 N ATOM 0 H LYS A 546 -9.968 7.008 2.096 1.00 0.00 H new ATOM 0 HA LYS A 546 -10.912 5.580 -0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 546 -12.963 6.865 0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 546 -12.291 6.397 1.783 1.00 0.00 H new ATOM 0 HG2 LYS A 546 -11.298 8.674 2.023 1.00 0.00 H new ATOM 0 HG3 LYS A 546 -12.017 9.136 0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 546 -13.805 7.968 2.615 1.00 0.00 H new ATOM 0 HD3 LYS A 546 -13.247 9.617 2.814 1.00 0.00 H new ATOM 0 HE2 LYS A 546 -14.069 10.059 0.424 1.00 0.00 H new ATOM 0 HE3 LYS A 546 -14.830 8.481 0.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 546 -16.376 10.223 1.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 546 -16.102 9.195 2.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 546 -15.364 10.723 2.367 1.00 0.00 H new ATOM 1166 N GLU A 547 -10.063 8.687 -0.788 1.00 0.00 N ATOM 1167 CA GLU A 547 -9.789 9.612 -1.881 1.00 0.00 C ATOM 1168 C GLU A 547 -8.353 9.458 -2.376 1.00 0.00 C ATOM 1169 O GLU A 547 -7.489 8.911 -1.692 1.00 0.00 O ATOM 1170 CB GLU A 547 -10.034 11.054 -1.432 1.00 0.00 C ATOM 1171 CG GLU A 547 -11.456 11.532 -1.670 1.00 0.00 C ATOM 1172 CD GLU A 547 -11.657 12.983 -1.280 1.00 0.00 C ATOM 1173 OE1 GLU A 547 -11.004 13.435 -0.316 1.00 0.00 O ATOM 1174 OE2 GLU A 547 -12.466 13.668 -1.940 1.00 0.00 O ATOM 0 H GLU A 547 -9.814 9.040 0.136 1.00 0.00 H new ATOM 0 HA GLU A 547 -10.466 9.375 -2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 547 -9.804 11.139 -0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 547 -9.345 11.712 -1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 547 -11.706 11.405 -2.723 1.00 0.00 H new ATOM 0 HG3 GLU A 547 -12.145 10.908 -1.101 1.00 0.00 H new ATOM 1181 N PRO A 548 -8.093 9.952 -3.596 1.00 0.00 N ATOM 1182 CA PRO A 548 -6.764 9.883 -4.211 1.00 0.00 C ATOM 1183 C PRO A 548 -5.756 10.794 -3.519 1.00 0.00 C ATOM 1184 O PRO A 548 -4.548 10.578 -3.606 1.00 0.00 O ATOM 1185 CB PRO A 548 -7.012 10.353 -5.646 1.00 0.00 C ATOM 1186 CG PRO A 548 -8.227 11.210 -5.559 1.00 0.00 C ATOM 1187 CD PRO A 548 -9.075 10.618 -4.468 1.00 0.00 C ATOM 0 HA PRO A 548 -6.336 8.883 -4.143 1.00 0.00 H new ATOM 0 HB2 PRO A 548 -6.160 10.912 -6.032 1.00 0.00 H new ATOM 0 HB3 PRO A 548 -7.170 9.509 -6.317 1.00 0.00 H new ATOM 0 HG2 PRO A 548 -7.961 12.242 -5.330 1.00 0.00 H new ATOM 0 HG3 PRO A 548 -8.764 11.223 -6.507 1.00 0.00 H new ATOM 0 HD2 PRO A 548 -9.633 11.385 -3.932 1.00 0.00 H new ATOM 0 HD3 PRO A 548 -9.804 9.912 -4.865 1.00 0.00 H new ATOM 1195 N GLN A 549 -6.262 11.813 -2.831 1.00 0.00 N ATOM 1196 CA GLN A 549 -5.405 12.757 -2.124 1.00 0.00 C ATOM 1197 C GLN A 549 -4.687 12.077 -0.963 1.00 0.00 C ATOM 1198 O GLN A 549 -3.525 12.368 -0.682 1.00 0.00 O ATOM 1199 CB GLN A 549 -6.228 13.939 -1.608 1.00 0.00 C ATOM 1200 CG GLN A 549 -5.470 14.832 -0.639 1.00 0.00 C ATOM 1201 CD GLN A 549 -5.620 14.387 0.803 1.00 0.00 C ATOM 1202 OE1 GLN A 549 -6.571 13.688 1.153 1.00 0.00 O ATOM 1203 NE2 GLN A 549 -4.679 14.791 1.648 1.00 0.00 N ATOM 0 H GLN A 549 -7.260 12.006 -2.748 1.00 0.00 H new ATOM 0 HA GLN A 549 -4.656 13.124 -2.826 1.00 0.00 H new ATOM 0 HB2 GLN A 549 -6.560 14.537 -2.456 1.00 0.00 H new ATOM 0 HB3 GLN A 549 -7.123 13.560 -1.115 1.00 0.00 H new ATOM 0 HG2 GLN A 549 -4.413 14.837 -0.906 1.00 0.00 H new ATOM 0 HG3 GLN A 549 -5.829 15.857 -0.738 1.00 0.00 H new ATOM 0 HE21 GLN A 549 -3.908 15.370 1.314 1.00 0.00 H new ATOM 0 HE22 GLN A 549 -4.727 14.523 2.631 1.00 0.00 H new ATOM 1212 N GLY A 550 -5.388 11.169 -0.290 1.00 0.00 N ATOM 1213 CA GLY A 550 -4.801 10.463 0.833 1.00 0.00 C ATOM 1214 C GLY A 550 -3.573 9.666 0.439 1.00 0.00 C ATOM 1215 O GLY A 550 -2.655 9.492 1.241 1.00 0.00 O ATOM 0 H GLY A 550 -6.351 10.910 -0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 550 -4.532 11.180 1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 550 -5.543 9.791 1.264 1.00 0.00 H new ATOM 1219 N ILE A 551 -3.557 9.179 -0.797 1.00 0.00 N ATOM 1220 CA ILE A 551 -2.433 8.396 -1.294 1.00 0.00 C ATOM 1221 C ILE A 551 -1.230 9.286 -1.590 1.00 0.00 C ATOM 1222 O ILE A 551 -0.083 8.875 -1.415 1.00 0.00 O ATOM 1223 CB ILE A 551 -2.808 7.619 -2.570 1.00 0.00 C ATOM 1224 CG1 ILE A 551 -3.858 6.553 -2.254 1.00 0.00 C ATOM 1225 CG2 ILE A 551 -1.571 6.986 -3.188 1.00 0.00 C ATOM 1226 CD1 ILE A 551 -5.281 7.033 -2.434 1.00 0.00 C ATOM 0 H ILE A 551 -4.310 9.313 -1.472 1.00 0.00 H new ATOM 0 HA ILE A 551 -2.172 7.686 -0.509 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.233 8.317 -3.291 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -3.691 5.689 -2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -3.724 6.217 -1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -1.853 6.441 -4.089 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -0.853 7.765 -3.445 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -1.119 6.298 -2.474 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -5.971 6.225 -2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -5.466 7.879 -1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -5.433 7.342 -3.468 1.00 0.00 H new ATOM 1238 N ILE A 552 -1.502 10.508 -2.036 1.00 0.00 N ATOM 1239 CA ILE A 552 -0.442 11.458 -2.353 1.00 0.00 C ATOM 1240 C ILE A 552 0.172 12.039 -1.084 1.00 0.00 C ATOM 1241 O ILE A 552 1.376 12.286 -1.021 1.00 0.00 O ATOM 1242 CB ILE A 552 -0.963 12.609 -3.232 1.00 0.00 C ATOM 1243 CG1 ILE A 552 -1.705 12.055 -4.450 1.00 0.00 C ATOM 1244 CG2 ILE A 552 0.188 13.504 -3.669 1.00 0.00 C ATOM 1245 CD1 ILE A 552 -2.445 13.112 -5.240 1.00 0.00 C ATOM 0 H ILE A 552 -2.446 10.863 -2.186 1.00 0.00 H new ATOM 0 HA ILE A 552 0.321 10.908 -2.904 1.00 0.00 H new ATOM 0 HB ILE A 552 -1.661 13.207 -2.646 1.00 0.00 H new ATOM 0 HG12 ILE A 552 -0.990 11.557 -5.105 1.00 0.00 H new ATOM 0 HG13 ILE A 552 -2.415 11.297 -4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 552 -0.196 14.313 -4.290 1.00 0.00 H new ATOM 0 HG22 ILE A 552 0.678 13.922 -2.790 1.00 0.00 H new ATOM 0 HG23 ILE A 552 0.908 12.918 -4.241 1.00 0.00 H new ATOM 0 HD11 ILE A 552 -2.947 12.647 -6.088 1.00 0.00 H new ATOM 0 HD12 ILE A 552 -3.184 13.594 -4.600 1.00 0.00 H new ATOM 0 HD13 ILE A 552 -1.737 13.858 -5.602 1.00 0.00 H new ATOM 1257 N ALA A 553 -0.664 12.255 -0.073 1.00 0.00 N ATOM 1258 CA ALA A 553 -0.203 12.804 1.196 1.00 0.00 C ATOM 1259 C ALA A 553 0.909 11.948 1.793 1.00 0.00 C ATOM 1260 O ALA A 553 1.804 12.459 2.468 1.00 0.00 O ATOM 1261 CB ALA A 553 -1.364 12.920 2.173 1.00 0.00 C ATOM 0 H ALA A 553 -1.664 12.058 -0.109 1.00 0.00 H new ATOM 0 HA ALA A 553 0.201 13.799 1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 553 -1.006 13.331 3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 553 -2.126 13.579 1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 553 -1.793 11.933 2.347 1.00 0.00 H new ATOM 1267 N CYS A 554 0.847 10.645 1.540 1.00 0.00 N ATOM 1268 CA CYS A 554 1.849 9.718 2.054 1.00 0.00 C ATOM 1269 C CYS A 554 3.220 10.012 1.454 1.00 0.00 C ATOM 1270 O CYS A 554 4.172 10.315 2.175 1.00 0.00 O ATOM 1271 CB CYS A 554 1.444 8.276 1.748 1.00 0.00 C ATOM 1272 SG CYS A 554 -0.343 7.995 1.749 1.00 0.00 S ATOM 0 H CYS A 554 0.114 10.207 0.982 1.00 0.00 H new ATOM 0 HA CYS A 554 1.909 9.849 3.134 1.00 0.00 H new ATOM 0 HB2 CYS A 554 1.844 7.996 0.774 1.00 0.00 H new ATOM 0 HB3 CYS A 554 1.905 7.617 2.483 1.00 0.00 H new ATOM 0 HG CYS A 554 -0.962 9.138 1.741 1.00 0.00 H new ATOM 1278 N CYS A 555 3.314 9.919 0.133 1.00 0.00 N ATOM 1279 CA CYS A 555 4.570 10.172 -0.564 1.00 0.00 C ATOM 1280 C CYS A 555 5.024 11.614 -0.359 1.00 0.00 C ATOM 1281 O CYS A 555 4.267 12.553 -0.597 1.00 0.00 O ATOM 1282 CB CYS A 555 4.416 9.880 -2.058 1.00 0.00 C ATOM 1283 SG CYS A 555 3.692 8.264 -2.423 1.00 0.00 S ATOM 0 H CYS A 555 2.536 9.670 -0.477 1.00 0.00 H new ATOM 0 HA CYS A 555 5.328 9.509 -0.148 1.00 0.00 H new ATOM 0 HB2 CYS A 555 3.794 10.655 -2.506 1.00 0.00 H new ATOM 0 HB3 CYS A 555 5.395 9.943 -2.533 1.00 0.00 H new ATOM 0 HG CYS A 555 4.629 7.443 -2.795 1.00 0.00 H new ATOM 1289 N ASN A 556 6.266 11.780 0.085 1.00 0.00 N ATOM 1290 CA ASN A 556 6.820 13.107 0.325 1.00 0.00 C ATOM 1291 C ASN A 556 8.342 13.090 0.211 1.00 0.00 C ATOM 1292 O ASN A 556 9.050 12.609 1.096 1.00 0.00 O ATOM 1293 CB ASN A 556 6.407 13.614 1.708 1.00 0.00 C ATOM 1294 CG ASN A 556 6.423 15.128 1.798 1.00 0.00 C ATOM 1295 OD1 ASN A 556 6.944 15.808 0.914 1.00 0.00 O ATOM 1296 ND2 ASN A 556 5.850 15.662 2.870 1.00 0.00 N ATOM 0 H ASN A 556 6.907 11.012 0.286 1.00 0.00 H new ATOM 0 HA ASN A 556 6.423 13.781 -0.434 1.00 0.00 H new ATOM 0 HB2 ASN A 556 5.407 13.250 1.942 1.00 0.00 H new ATOM 0 HB3 ASN A 556 7.080 13.201 2.459 1.00 0.00 H new ATOM 0 HD21 ASN A 556 5.829 16.675 2.986 1.00 0.00 H new ATOM 0 HD22 ASN A 556 5.430 15.059 3.578 1.00 0.00 H new ATOM 1303 N PRO A 557 8.858 13.627 -0.904 1.00 0.00 N ATOM 1304 CA PRO A 557 8.025 14.201 -1.965 1.00 0.00 C ATOM 1305 C PRO A 557 7.238 13.138 -2.724 1.00 0.00 C ATOM 1306 O PRO A 557 7.450 11.941 -2.534 1.00 0.00 O ATOM 1307 CB PRO A 557 9.043 14.875 -2.890 1.00 0.00 C ATOM 1308 CG PRO A 557 10.313 14.130 -2.661 1.00 0.00 C ATOM 1309 CD PRO A 557 10.294 13.714 -1.216 1.00 0.00 C ATOM 0 HA PRO A 557 7.272 14.882 -1.568 1.00 0.00 H new ATOM 0 HB2 PRO A 557 8.731 14.815 -3.933 1.00 0.00 H new ATOM 0 HB3 PRO A 557 9.156 15.933 -2.651 1.00 0.00 H new ATOM 0 HG2 PRO A 557 10.380 13.262 -3.316 1.00 0.00 H new ATOM 0 HG3 PRO A 557 11.178 14.758 -2.875 1.00 0.00 H new ATOM 0 HD2 PRO A 557 10.796 12.758 -1.067 1.00 0.00 H new ATOM 0 HD3 PRO A 557 10.799 14.442 -0.582 1.00 0.00 H new ATOM 1317 N VAL A 558 6.329 13.584 -3.585 1.00 0.00 N ATOM 1318 CA VAL A 558 5.511 12.671 -4.374 1.00 0.00 C ATOM 1319 C VAL A 558 6.109 12.455 -5.760 1.00 0.00 C ATOM 1320 O VAL A 558 6.372 13.400 -6.504 1.00 0.00 O ATOM 1321 CB VAL A 558 4.070 13.195 -4.525 1.00 0.00 C ATOM 1322 CG1 VAL A 558 3.240 12.241 -5.371 1.00 0.00 C ATOM 1323 CG2 VAL A 558 3.433 13.400 -3.159 1.00 0.00 C ATOM 0 H VAL A 558 6.141 14.572 -3.754 1.00 0.00 H new ATOM 0 HA VAL A 558 5.490 11.722 -3.838 1.00 0.00 H new ATOM 0 HB VAL A 558 4.104 14.158 -5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 558 2.225 12.628 -5.466 1.00 0.00 H new ATOM 0 HG12 VAL A 558 3.688 12.149 -6.361 1.00 0.00 H new ATOM 0 HG13 VAL A 558 3.211 11.262 -4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 558 2.415 13.770 -3.284 1.00 0.00 H new ATOM 0 HG22 VAL A 558 3.411 12.452 -2.622 1.00 0.00 H new ATOM 0 HG23 VAL A 558 4.016 14.125 -2.591 1.00 0.00 H new ATOM 1333 N PRO A 559 6.329 11.181 -6.117 1.00 0.00 N ATOM 1334 CA PRO A 559 6.898 10.810 -7.416 1.00 0.00 C ATOM 1335 C PRO A 559 5.931 11.068 -8.567 1.00 0.00 C ATOM 1336 O PRO A 559 4.729 11.247 -8.371 1.00 0.00 O ATOM 1337 CB PRO A 559 7.167 9.310 -7.271 1.00 0.00 C ATOM 1338 CG PRO A 559 6.203 8.851 -6.232 1.00 0.00 C ATOM 1339 CD PRO A 559 6.040 10.004 -5.280 1.00 0.00 C ATOM 0 HA PRO A 559 7.786 11.395 -7.653 1.00 0.00 H new ATOM 0 HB2 PRO A 559 7.011 8.787 -8.214 1.00 0.00 H new ATOM 0 HB3 PRO A 559 8.196 9.120 -6.967 1.00 0.00 H new ATOM 0 HG2 PRO A 559 5.248 8.577 -6.680 1.00 0.00 H new ATOM 0 HG3 PRO A 559 6.578 7.968 -5.715 1.00 0.00 H new ATOM 0 HD2 PRO A 559 5.033 10.043 -4.865 1.00 0.00 H new ATOM 0 HD3 PRO A 559 6.729 9.931 -4.438 1.00 0.00 H new ATOM 1347 N PRO A 560 6.466 11.089 -9.797 1.00 0.00 N ATOM 1348 CA PRO A 560 5.668 11.324 -11.004 1.00 0.00 C ATOM 1349 C PRO A 560 4.739 10.156 -11.320 1.00 0.00 C ATOM 1350 O PRO A 560 3.896 10.245 -12.215 1.00 0.00 O ATOM 1351 CB PRO A 560 6.722 11.481 -12.102 1.00 0.00 C ATOM 1352 CG PRO A 560 7.907 10.730 -11.600 1.00 0.00 C ATOM 1353 CD PRO A 560 7.892 10.884 -10.104 1.00 0.00 C ATOM 0 HA PRO A 560 5.013 12.188 -10.898 1.00 0.00 H new ATOM 0 HB2 PRO A 560 6.369 11.076 -13.050 1.00 0.00 H new ATOM 0 HB3 PRO A 560 6.962 12.530 -12.273 1.00 0.00 H new ATOM 0 HG2 PRO A 560 7.852 9.679 -11.885 1.00 0.00 H new ATOM 0 HG3 PRO A 560 8.829 11.127 -12.024 1.00 0.00 H new ATOM 0 HD2 PRO A 560 8.287 9.999 -9.605 1.00 0.00 H new ATOM 0 HD3 PRO A 560 8.498 11.730 -9.781 1.00 0.00 H new ATOM 1361 N LEU A 561 4.898 9.063 -10.582 1.00 0.00 N ATOM 1362 CA LEU A 561 4.072 7.877 -10.784 1.00 0.00 C ATOM 1363 C LEU A 561 2.803 7.947 -9.941 1.00 0.00 C ATOM 1364 O LEU A 561 1.711 8.178 -10.462 1.00 0.00 O ATOM 1365 CB LEU A 561 4.863 6.616 -10.433 1.00 0.00 C ATOM 1366 CG LEU A 561 6.106 6.345 -11.281 1.00 0.00 C ATOM 1367 CD1 LEU A 561 6.896 5.176 -10.712 1.00 0.00 C ATOM 1368 CD2 LEU A 561 5.716 6.074 -12.727 1.00 0.00 C ATOM 0 H LEU A 561 5.591 8.973 -9.839 1.00 0.00 H new ATOM 0 HA LEU A 561 3.785 7.838 -11.835 1.00 0.00 H new ATOM 0 HB2 LEU A 561 5.168 6.682 -9.388 1.00 0.00 H new ATOM 0 HB3 LEU A 561 4.196 5.758 -10.517 1.00 0.00 H new ATOM 0 HG LEU A 561 6.740 7.231 -11.256 1.00 0.00 H new ATOM 0 HD11 LEU A 561 7.777 4.998 -11.329 1.00 0.00 H new ATOM 0 HD12 LEU A 561 7.207 5.408 -9.693 1.00 0.00 H new ATOM 0 HD13 LEU A 561 6.271 4.283 -10.706 1.00 0.00 H new ATOM 0 HD21 LEU A 561 6.613 5.883 -13.316 1.00 0.00 H new ATOM 0 HD22 LEU A 561 5.061 5.203 -12.770 1.00 0.00 H new ATOM 0 HD23 LEU A 561 5.194 6.941 -13.132 1.00 0.00 H new ATOM 1380 N VAL A 562 2.954 7.748 -8.636 1.00 0.00 N ATOM 1381 CA VAL A 562 1.821 7.792 -7.720 1.00 0.00 C ATOM 1382 C VAL A 562 0.851 8.905 -8.098 1.00 0.00 C ATOM 1383 O VAL A 562 -0.366 8.737 -8.016 1.00 0.00 O ATOM 1384 CB VAL A 562 2.283 8.001 -6.265 1.00 0.00 C ATOM 1385 CG1 VAL A 562 1.085 8.098 -5.333 1.00 0.00 C ATOM 1386 CG2 VAL A 562 3.212 6.876 -5.835 1.00 0.00 C ATOM 0 H VAL A 562 3.850 7.555 -8.189 1.00 0.00 H new ATOM 0 HA VAL A 562 1.314 6.830 -7.798 1.00 0.00 H new ATOM 0 HB VAL A 562 2.834 8.940 -6.209 1.00 0.00 H new ATOM 0 HG11 VAL A 562 1.431 8.245 -4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 562 0.460 8.941 -5.630 1.00 0.00 H new ATOM 0 HG13 VAL A 562 0.504 7.178 -5.390 1.00 0.00 H new ATOM 0 HG21 VAL A 562 3.529 7.039 -4.805 1.00 0.00 H new ATOM 0 HG22 VAL A 562 2.687 5.923 -5.906 1.00 0.00 H new ATOM 0 HG23 VAL A 562 4.087 6.858 -6.485 1.00 0.00 H new ATOM 1396 N ARG A 563 1.398 10.043 -8.513 1.00 0.00 N ATOM 1397 CA ARG A 563 0.581 11.186 -8.904 1.00 0.00 C ATOM 1398 C ARG A 563 -0.090 10.938 -10.252 1.00 0.00 C ATOM 1399 O ARG A 563 -1.267 11.249 -10.436 1.00 0.00 O ATOM 1400 CB ARG A 563 1.436 12.452 -8.973 1.00 0.00 C ATOM 1401 CG ARG A 563 0.629 13.722 -9.188 1.00 0.00 C ATOM 1402 CD ARG A 563 0.203 14.342 -7.867 1.00 0.00 C ATOM 1403 NE ARG A 563 -0.889 15.296 -8.037 1.00 0.00 N ATOM 1404 CZ ARG A 563 -2.126 14.945 -8.370 1.00 0.00 C ATOM 1405 NH1 ARG A 563 -2.427 13.669 -8.568 1.00 0.00 N ATOM 1406 NH2 ARG A 563 -3.066 15.872 -8.506 1.00 0.00 N ATOM 0 H ARG A 563 2.403 10.198 -8.587 1.00 0.00 H new ATOM 0 HA ARG A 563 -0.195 11.321 -8.150 1.00 0.00 H new ATOM 0 HB2 ARG A 563 2.006 12.546 -8.049 1.00 0.00 H new ATOM 0 HB3 ARG A 563 2.158 12.349 -9.783 1.00 0.00 H new ATOM 0 HG2 ARG A 563 1.223 14.440 -9.753 1.00 0.00 H new ATOM 0 HG3 ARG A 563 -0.254 13.497 -9.787 1.00 0.00 H new ATOM 0 HD2 ARG A 563 -0.107 13.554 -7.180 1.00 0.00 H new ATOM 0 HD3 ARG A 563 1.056 14.845 -7.411 1.00 0.00 H new ATOM 0 HE ARG A 563 -0.691 16.286 -7.892 1.00 0.00 H new ATOM 0 HH11 ARG A 563 -1.708 12.953 -8.465 1.00 0.00 H new ATOM 0 HH12 ARG A 563 -3.378 13.403 -8.824 1.00 0.00 H new ATOM 0 HH21 ARG A 563 -2.839 16.855 -8.355 1.00 0.00 H new ATOM 0 HH22 ARG A 563 -4.016 15.602 -8.762 1.00 0.00 H new ATOM 1420 N GLN A 564 0.667 10.379 -11.191 1.00 0.00 N ATOM 1421 CA GLN A 564 0.145 10.092 -12.522 1.00 0.00 C ATOM 1422 C GLN A 564 -0.888 8.971 -12.471 1.00 0.00 C ATOM 1423 O GLN A 564 -2.044 9.163 -12.847 1.00 0.00 O ATOM 1424 CB GLN A 564 1.285 9.709 -13.467 1.00 0.00 C ATOM 1425 CG GLN A 564 1.896 10.895 -14.195 1.00 0.00 C ATOM 1426 CD GLN A 564 2.699 10.482 -15.413 1.00 0.00 C ATOM 1427 OE1 GLN A 564 2.333 10.794 -16.546 1.00 0.00 O ATOM 1428 NE2 GLN A 564 3.800 9.776 -15.185 1.00 0.00 N ATOM 0 H GLN A 564 1.643 10.116 -11.055 1.00 0.00 H new ATOM 0 HA GLN A 564 -0.342 10.992 -12.897 1.00 0.00 H new ATOM 0 HB2 GLN A 564 2.064 9.203 -12.897 1.00 0.00 H new ATOM 0 HB3 GLN A 564 0.913 8.995 -14.202 1.00 0.00 H new ATOM 0 HG2 GLN A 564 1.102 11.576 -14.502 1.00 0.00 H new ATOM 0 HG3 GLN A 564 2.540 11.445 -13.509 1.00 0.00 H new ATOM 0 HE21 GLN A 564 4.066 9.540 -14.229 1.00 0.00 H new ATOM 0 HE22 GLN A 564 4.380 9.470 -15.966 1.00 0.00 H new ATOM 1437 N GLN A 565 -0.463 7.801 -12.004 1.00 0.00 N ATOM 1438 CA GLN A 565 -1.352 6.650 -11.906 1.00 0.00 C ATOM 1439 C GLN A 565 -2.149 6.686 -10.607 1.00 0.00 C ATOM 1440 O GLN A 565 -2.594 5.651 -10.111 1.00 0.00 O ATOM 1441 CB GLN A 565 -0.549 5.350 -11.990 1.00 0.00 C ATOM 1442 CG GLN A 565 0.196 5.178 -13.304 1.00 0.00 C ATOM 1443 CD GLN A 565 -0.713 4.743 -14.437 1.00 0.00 C ATOM 1444 OE1 GLN A 565 -1.500 5.535 -14.956 1.00 0.00 O ATOM 1445 NE2 GLN A 565 -0.609 3.478 -14.827 1.00 0.00 N ATOM 0 H GLN A 565 0.491 7.626 -11.688 1.00 0.00 H new ATOM 0 HA GLN A 565 -2.052 6.691 -12.741 1.00 0.00 H new ATOM 0 HB2 GLN A 565 0.168 5.322 -11.169 1.00 0.00 H new ATOM 0 HB3 GLN A 565 -1.225 4.506 -11.852 1.00 0.00 H new ATOM 0 HG2 GLN A 565 0.678 6.119 -13.570 1.00 0.00 H new ATOM 0 HG3 GLN A 565 0.988 4.440 -13.175 1.00 0.00 H new ATOM 0 HE21 GLN A 565 0.057 2.856 -14.369 1.00 0.00 H new ATOM 0 HE22 GLN A 565 -1.195 3.128 -15.585 1.00 0.00 H new ATOM 1454 N ILE A 566 -2.324 7.884 -10.059 1.00 0.00 N ATOM 1455 CA ILE A 566 -3.068 8.055 -8.818 1.00 0.00 C ATOM 1456 C ILE A 566 -4.467 7.458 -8.928 1.00 0.00 C ATOM 1457 O ILE A 566 -4.907 6.717 -8.050 1.00 0.00 O ATOM 1458 CB ILE A 566 -3.185 9.541 -8.431 1.00 0.00 C ATOM 1459 CG1 ILE A 566 -3.954 9.690 -7.117 1.00 0.00 C ATOM 1460 CG2 ILE A 566 -3.869 10.325 -9.542 1.00 0.00 C ATOM 1461 CD1 ILE A 566 -3.199 9.169 -5.914 1.00 0.00 C ATOM 0 H ILE A 566 -1.960 8.751 -10.455 1.00 0.00 H new ATOM 0 HA ILE A 566 -2.511 7.529 -8.042 1.00 0.00 H new ATOM 0 HB ILE A 566 -2.182 9.944 -8.291 1.00 0.00 H new ATOM 0 HG12 ILE A 566 -4.190 10.743 -6.960 1.00 0.00 H new ATOM 0 HG13 ILE A 566 -4.903 9.160 -7.198 1.00 0.00 H new ATOM 0 HG21 ILE A 566 -3.945 11.374 -9.254 1.00 0.00 H new ATOM 0 HG22 ILE A 566 -3.285 10.242 -10.459 1.00 0.00 H new ATOM 0 HG23 ILE A 566 -4.868 9.922 -9.710 1.00 0.00 H new ATOM 0 HD11 ILE A 566 -3.803 9.307 -5.017 1.00 0.00 H new ATOM 0 HD12 ILE A 566 -2.987 8.108 -6.049 1.00 0.00 H new ATOM 0 HD13 ILE A 566 -2.262 9.716 -5.807 1.00 0.00 H new ATOM 1473 N ASN A 567 -5.159 7.785 -10.014 1.00 0.00 N ATOM 1474 CA ASN A 567 -6.509 7.279 -10.241 1.00 0.00 C ATOM 1475 C ASN A 567 -6.582 5.781 -9.963 1.00 0.00 C ATOM 1476 O ASN A 567 -7.485 5.313 -9.271 1.00 0.00 O ATOM 1477 CB ASN A 567 -6.948 7.565 -11.679 1.00 0.00 C ATOM 1478 CG ASN A 567 -6.754 9.019 -12.064 1.00 0.00 C ATOM 1479 OD1 ASN A 567 -7.394 9.911 -11.508 1.00 0.00 O ATOM 1480 ND2 ASN A 567 -5.866 9.264 -13.021 1.00 0.00 N ATOM 0 H ASN A 567 -4.808 8.397 -10.750 1.00 0.00 H new ATOM 0 HA ASN A 567 -7.183 7.791 -9.554 1.00 0.00 H new ATOM 0 HB2 ASN A 567 -6.381 6.932 -12.362 1.00 0.00 H new ATOM 0 HB3 ASN A 567 -7.998 7.298 -11.795 1.00 0.00 H new ATOM 0 HD21 ASN A 567 -5.692 10.223 -13.322 1.00 0.00 H new ATOM 0 HD22 ASN A 567 -5.358 8.493 -13.455 1.00 0.00 H new ATOM 1487 N GLU A 568 -5.626 5.036 -10.508 1.00 0.00 N ATOM 1488 CA GLU A 568 -5.583 3.591 -10.319 1.00 0.00 C ATOM 1489 C GLU A 568 -5.407 3.240 -8.844 1.00 0.00 C ATOM 1490 O GLU A 568 -6.174 2.457 -8.285 1.00 0.00 O ATOM 1491 CB GLU A 568 -4.445 2.980 -11.139 1.00 0.00 C ATOM 1492 CG GLU A 568 -4.349 1.469 -11.016 1.00 0.00 C ATOM 1493 CD GLU A 568 -5.575 0.760 -11.560 1.00 0.00 C ATOM 1494 OE1 GLU A 568 -6.538 0.564 -10.790 1.00 0.00 O ATOM 1495 OE2 GLU A 568 -5.570 0.402 -12.756 1.00 0.00 O ATOM 0 H GLU A 568 -4.871 5.409 -11.084 1.00 0.00 H new ATOM 0 HA GLU A 568 -6.531 3.178 -10.663 1.00 0.00 H new ATOM 0 HB2 GLU A 568 -4.583 3.243 -12.188 1.00 0.00 H new ATOM 0 HB3 GLU A 568 -3.501 3.423 -10.821 1.00 0.00 H new ATOM 0 HG2 GLU A 568 -3.465 1.120 -11.550 1.00 0.00 H new ATOM 0 HG3 GLU A 568 -4.214 1.201 -9.968 1.00 0.00 H new ATOM 1502 N MET A 569 -4.390 3.826 -8.220 1.00 0.00 N ATOM 1503 CA MET A 569 -4.113 3.577 -6.810 1.00 0.00 C ATOM 1504 C MET A 569 -5.364 3.790 -5.964 1.00 0.00 C ATOM 1505 O MET A 569 -5.736 2.933 -5.162 1.00 0.00 O ATOM 1506 CB MET A 569 -2.989 4.492 -6.320 1.00 0.00 C ATOM 1507 CG MET A 569 -1.701 4.352 -7.114 1.00 0.00 C ATOM 1508 SD MET A 569 -0.316 5.219 -6.351 1.00 0.00 S ATOM 1509 CE MET A 569 0.298 3.960 -5.235 1.00 0.00 C ATOM 0 H MET A 569 -3.745 4.476 -8.668 1.00 0.00 H new ATOM 0 HA MET A 569 -3.798 2.539 -6.705 1.00 0.00 H new ATOM 0 HB2 MET A 569 -3.326 5.527 -6.371 1.00 0.00 H new ATOM 0 HB3 MET A 569 -2.785 4.274 -5.272 1.00 0.00 H new ATOM 0 HG2 MET A 569 -1.453 3.295 -7.213 1.00 0.00 H new ATOM 0 HG3 MET A 569 -1.856 4.739 -8.121 1.00 0.00 H new ATOM 0 HE1 MET A 569 0.484 4.401 -4.256 1.00 0.00 H new ATOM 0 HE2 MET A 569 -0.442 3.166 -5.140 1.00 0.00 H new ATOM 0 HE3 MET A 569 1.226 3.546 -5.629 1.00 0.00 H new ATOM 1519 N HIS A 570 -6.009 4.937 -6.148 1.00 0.00 N ATOM 1520 CA HIS A 570 -7.219 5.262 -5.401 1.00 0.00 C ATOM 1521 C HIS A 570 -8.249 4.143 -5.522 1.00 0.00 C ATOM 1522 O HIS A 570 -8.806 3.688 -4.522 1.00 0.00 O ATOM 1523 CB HIS A 570 -7.816 6.577 -5.904 1.00 0.00 C ATOM 1524 CG HIS A 570 -9.253 6.766 -5.526 1.00 0.00 C ATOM 1525 ND1 HIS A 570 -10.152 7.461 -6.306 1.00 0.00 N ATOM 1526 CD2 HIS A 570 -9.946 6.343 -4.442 1.00 0.00 C ATOM 1527 CE1 HIS A 570 -11.335 7.460 -5.719 1.00 0.00 C ATOM 1528 NE2 HIS A 570 -11.237 6.788 -4.586 1.00 0.00 N ATOM 0 H HIS A 570 -5.714 5.657 -6.808 1.00 0.00 H new ATOM 0 HA HIS A 570 -6.950 5.372 -4.351 1.00 0.00 H new ATOM 0 HB2 HIS A 570 -7.232 7.407 -5.506 1.00 0.00 H new ATOM 0 HB3 HIS A 570 -7.726 6.615 -6.990 1.00 0.00 H new ATOM 0 HD1 HIS A 570 -9.937 7.907 -7.198 1.00 0.00 H new ATOM 0 HD2 HIS A 570 -9.556 5.764 -3.618 1.00 0.00 H new ATOM 0 HE1 HIS A 570 -12.230 7.929 -6.100 1.00 0.00 H new ATOM 1536 N LEU A 571 -8.498 3.705 -6.751 1.00 0.00 N ATOM 1537 CA LEU A 571 -9.461 2.639 -7.003 1.00 0.00 C ATOM 1538 C LEU A 571 -9.170 1.424 -6.128 1.00 0.00 C ATOM 1539 O LEU A 571 -10.070 0.870 -5.495 1.00 0.00 O ATOM 1540 CB LEU A 571 -9.434 2.238 -8.478 1.00 0.00 C ATOM 1541 CG LEU A 571 -10.026 3.250 -9.460 1.00 0.00 C ATOM 1542 CD1 LEU A 571 -9.805 2.795 -10.894 1.00 0.00 C ATOM 1543 CD2 LEU A 571 -11.509 3.454 -9.186 1.00 0.00 C ATOM 0 H LEU A 571 -8.046 4.072 -7.589 1.00 0.00 H new ATOM 0 HA LEU A 571 -10.454 3.014 -6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 571 -8.399 2.048 -8.763 1.00 0.00 H new ATOM 0 HB3 LEU A 571 -9.973 1.297 -8.588 1.00 0.00 H new ATOM 0 HG LEU A 571 -9.516 4.203 -9.321 1.00 0.00 H new ATOM 0 HD11 LEU A 571 -10.233 3.528 -11.578 1.00 0.00 H new ATOM 0 HD12 LEU A 571 -8.736 2.701 -11.085 1.00 0.00 H new ATOM 0 HD13 LEU A 571 -10.287 1.830 -11.048 1.00 0.00 H new ATOM 0 HD21 LEU A 571 -11.914 4.177 -9.894 1.00 0.00 H new ATOM 0 HD22 LEU A 571 -12.033 2.505 -9.297 1.00 0.00 H new ATOM 0 HD23 LEU A 571 -11.644 3.826 -8.170 1.00 0.00 H new ATOM 1555 N LEU A 572 -7.907 1.014 -6.096 1.00 0.00 N ATOM 1556 CA LEU A 572 -7.495 -0.135 -5.297 1.00 0.00 C ATOM 1557 C LEU A 572 -7.891 0.048 -3.835 1.00 0.00 C ATOM 1558 O LEU A 572 -8.442 -0.860 -3.213 1.00 0.00 O ATOM 1559 CB LEU A 572 -5.984 -0.342 -5.406 1.00 0.00 C ATOM 1560 CG LEU A 572 -5.411 -0.376 -6.823 1.00 0.00 C ATOM 1561 CD1 LEU A 572 -3.892 -0.432 -6.784 1.00 0.00 C ATOM 1562 CD2 LEU A 572 -5.971 -1.561 -7.597 1.00 0.00 C ATOM 0 H LEU A 572 -7.150 1.460 -6.614 1.00 0.00 H new ATOM 0 HA LEU A 572 -8.005 -1.017 -5.685 1.00 0.00 H new ATOM 0 HB2 LEU A 572 -5.488 0.456 -4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 572 -5.729 -1.279 -4.910 1.00 0.00 H new ATOM 0 HG LEU A 572 -5.707 0.539 -7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 572 -3.503 -0.456 -7.802 1.00 0.00 H new ATOM 0 HD12 LEU A 572 -3.509 0.449 -6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 572 -3.575 -1.329 -6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 572 -5.552 -1.569 -8.603 1.00 0.00 H new ATOM 0 HD22 LEU A 572 -5.706 -2.487 -7.086 1.00 0.00 H new ATOM 0 HD23 LEU A 572 -7.056 -1.477 -7.656 1.00 0.00 H new ATOM 1574 N ILE A 573 -7.607 1.229 -3.295 1.00 0.00 N ATOM 1575 CA ILE A 573 -7.937 1.532 -1.908 1.00 0.00 C ATOM 1576 C ILE A 573 -9.428 1.356 -1.646 1.00 0.00 C ATOM 1577 O ILE A 573 -9.828 0.826 -0.609 1.00 0.00 O ATOM 1578 CB ILE A 573 -7.527 2.969 -1.533 1.00 0.00 C ATOM 1579 CG1 ILE A 573 -6.016 3.150 -1.695 1.00 0.00 C ATOM 1580 CG2 ILE A 573 -7.954 3.287 -0.108 1.00 0.00 C ATOM 1581 CD1 ILE A 573 -5.203 2.041 -1.065 1.00 0.00 C ATOM 0 H ILE A 573 -7.150 1.990 -3.796 1.00 0.00 H new ATOM 0 HA ILE A 573 -7.377 0.830 -1.290 1.00 0.00 H new ATOM 0 HB ILE A 573 -8.032 3.662 -2.206 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -5.777 3.206 -2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -5.723 4.101 -1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -7.657 4.306 0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -9.037 3.193 -0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -7.474 2.590 0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -4.142 2.235 -1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -5.413 1.998 0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -5.468 1.089 -1.525 1.00 0.00 H new ATOM 1593 N GLN A 574 -10.247 1.803 -2.593 1.00 0.00 N ATOM 1594 CA GLN A 574 -11.695 1.694 -2.464 1.00 0.00 C ATOM 1595 C GLN A 574 -12.136 0.234 -2.497 1.00 0.00 C ATOM 1596 O GLN A 574 -13.095 -0.149 -1.827 1.00 0.00 O ATOM 1597 CB GLN A 574 -12.388 2.473 -3.584 1.00 0.00 C ATOM 1598 CG GLN A 574 -12.009 3.944 -3.626 1.00 0.00 C ATOM 1599 CD GLN A 574 -12.876 4.796 -2.720 1.00 0.00 C ATOM 1600 OE1 GLN A 574 -12.591 4.763 -1.424 1.00 0.00 O flip ATOM 1601 NE2 GLN A 574 -13.792 5.478 -3.181 1.00 0.00 N flip ATOM 0 H GLN A 574 -9.932 2.244 -3.457 1.00 0.00 H new ATOM 0 HA GLN A 574 -11.982 2.120 -1.503 1.00 0.00 H new ATOM 0 HB2 GLN A 574 -12.140 2.015 -4.541 1.00 0.00 H new ATOM 0 HB3 GLN A 574 -13.468 2.388 -3.460 1.00 0.00 H new ATOM 0 HG2 GLN A 574 -10.965 4.055 -3.333 1.00 0.00 H new ATOM 0 HG3 GLN A 574 -12.093 4.308 -4.650 1.00 0.00 H new ATOM 0 HE21 GLN A 574 -13.976 5.474 -4.184 1.00 0.00 H new ATOM 0 HE22 GLN A 574 -14.367 6.047 -2.560 1.00 0.00 H new ATOM 1610 N GLN A 575 -11.429 -0.575 -3.279 1.00 0.00 N ATOM 1611 CA GLN A 575 -11.749 -1.993 -3.399 1.00 0.00 C ATOM 1612 C GLN A 575 -11.505 -2.719 -2.080 1.00 0.00 C ATOM 1613 O GLN A 575 -12.306 -3.556 -1.664 1.00 0.00 O ATOM 1614 CB GLN A 575 -10.915 -2.634 -4.509 1.00 0.00 C ATOM 1615 CG GLN A 575 -11.345 -2.222 -5.908 1.00 0.00 C ATOM 1616 CD GLN A 575 -11.082 -3.301 -6.940 1.00 0.00 C ATOM 1617 OE1 GLN A 575 -11.999 -3.997 -7.376 1.00 0.00 O ATOM 1618 NE2 GLN A 575 -9.823 -3.445 -7.339 1.00 0.00 N ATOM 0 H GLN A 575 -10.631 -0.273 -3.839 1.00 0.00 H new ATOM 0 HA GLN A 575 -12.806 -2.081 -3.652 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -9.868 -2.366 -4.366 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -10.982 -3.718 -4.422 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -12.408 -1.982 -5.901 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -10.815 -1.314 -6.194 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -9.094 -2.847 -6.952 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -9.586 -4.154 -8.033 1.00 0.00 H new ATOM 1627 N ALA A 576 -10.395 -2.393 -1.427 1.00 0.00 N ATOM 1628 CA ALA A 576 -10.047 -3.013 -0.154 1.00 0.00 C ATOM 1629 C ALA A 576 -11.074 -2.673 0.921 1.00 0.00 C ATOM 1630 O ALA A 576 -11.508 -3.544 1.675 1.00 0.00 O ATOM 1631 CB ALA A 576 -8.657 -2.575 0.283 1.00 0.00 C ATOM 0 H ALA A 576 -9.721 -1.703 -1.758 1.00 0.00 H new ATOM 0 HA ALA A 576 -10.049 -4.094 -0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 576 -8.410 -3.045 1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 576 -7.928 -2.874 -0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 576 -8.636 -1.491 0.398 1.00 0.00 H new ATOM 1637 N ARG A 577 -11.457 -1.402 0.986 1.00 0.00 N ATOM 1638 CA ARG A 577 -12.432 -0.948 1.970 1.00 0.00 C ATOM 1639 C ARG A 577 -13.828 -1.464 1.632 1.00 0.00 C ATOM 1640 O ARG A 577 -14.565 -1.908 2.512 1.00 0.00 O ATOM 1641 CB ARG A 577 -12.445 0.580 2.039 1.00 0.00 C ATOM 1642 CG ARG A 577 -11.175 1.174 2.626 1.00 0.00 C ATOM 1643 CD ARG A 577 -11.228 2.694 2.648 1.00 0.00 C ATOM 1644 NE ARG A 577 -12.207 3.193 3.610 1.00 0.00 N ATOM 1645 CZ ARG A 577 -13.498 3.340 3.335 1.00 0.00 C ATOM 1646 NH1 ARG A 577 -13.964 3.027 2.134 1.00 0.00 N ATOM 1647 NH2 ARG A 577 -14.327 3.801 4.263 1.00 0.00 N ATOM 0 H ARG A 577 -11.107 -0.669 0.369 1.00 0.00 H new ATOM 0 HA ARG A 577 -12.142 -1.347 2.942 1.00 0.00 H new ATOM 0 HB2 ARG A 577 -12.593 0.979 1.036 1.00 0.00 H new ATOM 0 HB3 ARG A 577 -13.297 0.901 2.638 1.00 0.00 H new ATOM 0 HG2 ARG A 577 -11.032 0.799 3.640 1.00 0.00 H new ATOM 0 HG3 ARG A 577 -10.315 0.847 2.041 1.00 0.00 H new ATOM 0 HD2 ARG A 577 -10.242 3.088 2.896 1.00 0.00 H new ATOM 0 HD3 ARG A 577 -11.477 3.063 1.653 1.00 0.00 H new ATOM 0 HE ARG A 577 -11.882 3.442 4.544 1.00 0.00 H new ATOM 0 HH11 ARG A 577 -13.330 2.672 1.418 1.00 0.00 H new ATOM 0 HH12 ARG A 577 -14.956 3.141 1.926 1.00 0.00 H new ATOM 0 HH21 ARG A 577 -13.973 4.043 5.188 1.00 0.00 H new ATOM 0 HH22 ARG A 577 -15.318 3.914 4.051 1.00 0.00 H new ATOM 1661 N GLU A 578 -14.182 -1.401 0.353 1.00 0.00 N ATOM 1662 CA GLU A 578 -15.490 -1.861 -0.100 1.00 0.00 C ATOM 1663 C GLU A 578 -15.912 -3.123 0.647 1.00 0.00 C ATOM 1664 O GLU A 578 -17.027 -3.210 1.159 1.00 0.00 O ATOM 1665 CB GLU A 578 -15.467 -2.130 -1.606 1.00 0.00 C ATOM 1666 CG GLU A 578 -15.836 -0.920 -2.447 1.00 0.00 C ATOM 1667 CD GLU A 578 -17.323 -0.622 -2.420 1.00 0.00 C ATOM 1668 OE1 GLU A 578 -18.117 -1.577 -2.293 1.00 0.00 O ATOM 1669 OE2 GLU A 578 -17.691 0.566 -2.526 1.00 0.00 O ATOM 0 H GLU A 578 -13.583 -1.037 -0.388 1.00 0.00 H new ATOM 0 HA GLU A 578 -16.216 -1.076 0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -14.471 -2.469 -1.891 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -16.157 -2.943 -1.832 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -15.288 -0.050 -2.085 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -15.522 -1.089 -3.477 1.00 0.00 H new ATOM 1676 N MET A 579 -15.011 -4.098 0.705 1.00 0.00 N ATOM 1677 CA MET A 579 -15.289 -5.356 1.389 1.00 0.00 C ATOM 1678 C MET A 579 -15.224 -5.176 2.903 1.00 0.00 C ATOM 1679 O MET A 579 -14.457 -4.367 3.424 1.00 0.00 O ATOM 1680 CB MET A 579 -14.294 -6.432 0.949 1.00 0.00 C ATOM 1681 CG MET A 579 -12.842 -5.995 1.051 1.00 0.00 C ATOM 1682 SD MET A 579 -11.702 -7.389 1.144 1.00 0.00 S ATOM 1683 CE MET A 579 -12.162 -8.098 2.723 1.00 0.00 C ATOM 0 H MET A 579 -14.082 -4.041 0.287 1.00 0.00 H new ATOM 0 HA MET A 579 -16.297 -5.672 1.120 1.00 0.00 H new ATOM 0 HB2 MET A 579 -14.441 -7.323 1.560 1.00 0.00 H new ATOM 0 HB3 MET A 579 -14.508 -6.714 -0.082 1.00 0.00 H new ATOM 0 HG2 MET A 579 -12.590 -5.381 0.186 1.00 0.00 H new ATOM 0 HG3 MET A 579 -12.716 -5.368 1.934 1.00 0.00 H new ATOM 0 HE1 MET A 579 -11.336 -8.696 3.108 1.00 0.00 H new ATOM 0 HE2 MET A 579 -12.391 -7.299 3.428 1.00 0.00 H new ATOM 0 HE3 MET A 579 -13.040 -8.732 2.595 1.00 0.00 H new