USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 677 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 55 CYS SG : rot 58:sc= -1.56 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -1.18 K(o=-2.7,f=-0.6) USER MOD Set 2.1: A 42 MET CE :methyl 165:sc= -0.248 (180deg=-0.733) USER MOD Set 2.2: A 93 ASN : amide:sc= -6.09! C(o=-6.3!,f=-5.6!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -109:sc= -0.0243 USER MOD Single : A 43 MET CE :methyl -108:sc= -3.26! (180deg=-4.45!) USER MOD Single : A 48 LYS NZ :NH3+ 157:sc= -0.103 (180deg=-0.789) USER MOD Single : A 53 ASN : amide:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 165:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -4.6! K(o=-4.6!,f=-2.9) USER MOD Single : A 67 CYS SG : rot 162:sc= -0.067 USER MOD Single : A 73 HIS : no HD1:sc= -0.751 K(o=-0.75,f=-0.13) USER MOD Single : A 76 ASN : amide:sc= -0.82 X(o=-0.82,f=-0.99) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 82 MET CE :methyl 174:sc= -4.35! (180deg=-4.45!) USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0.0883 USER MOD Single : A 108 LYS NZ :NH3+ -152:sc= -0.303 (180deg=-0.844) USER MOD Single : A 109 ASN : amide:sc= 0.461 K(o=0.46,f=-0.088) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 ASN : amide:sc= -9.48! C(o=-9.5!,f=-16!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 457 N ASN A 29 5.746 -14.393 3.176 1.00 0.00 N ATOM 458 CA ASN A 29 4.893 -13.221 3.023 1.00 0.00 C ATOM 459 C ASN A 29 4.857 -12.759 1.570 1.00 0.00 C ATOM 460 O ASN A 29 5.891 -12.683 0.905 1.00 0.00 O ATOM 461 CB ASN A 29 5.388 -12.084 3.919 1.00 0.00 C ATOM 462 CG ASN A 29 5.180 -12.377 5.393 1.00 0.00 C ATOM 463 OD1 ASN A 29 4.142 -12.040 5.964 1.00 0.00 O ATOM 464 ND2 ASN A 29 6.170 -13.006 6.016 1.00 0.00 N ATOM 0 HA ASN A 29 3.882 -13.497 3.322 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.448 -11.912 3.731 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.865 -11.164 3.657 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.088 -13.229 7.008 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.012 -13.266 5.502 1.00 0.00 H new ATOM 471 N LEU A 30 3.660 -12.450 1.082 1.00 0.00 N ATOM 472 CA LEU A 30 3.489 -11.995 -0.293 1.00 0.00 C ATOM 473 C LEU A 30 3.287 -10.484 -0.345 1.00 0.00 C ATOM 474 O LEU A 30 2.754 -9.886 0.590 1.00 0.00 O ATOM 475 CB LEU A 30 2.298 -12.703 -0.941 1.00 0.00 C ATOM 476 CG LEU A 30 2.558 -14.118 -1.458 1.00 0.00 C ATOM 477 CD1 LEU A 30 3.547 -14.090 -2.613 1.00 0.00 C ATOM 478 CD2 LEU A 30 3.070 -15.010 -0.337 1.00 0.00 C ATOM 0 H LEU A 30 2.794 -12.506 1.618 1.00 0.00 H new ATOM 0 HA LEU A 30 4.395 -12.241 -0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.487 -12.747 -0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.947 -12.093 -1.773 1.00 0.00 H new ATOM 0 HG LEU A 30 1.617 -14.530 -1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.720 -15.106 -2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.142 -13.486 -3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.489 -13.658 -2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.250 -16.013 -0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.000 -14.601 0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.327 -15.056 0.460 1.00 0.00 H new ATOM 490 N TYR A 31 3.714 -9.872 -1.444 1.00 0.00 N ATOM 491 CA TYR A 31 3.580 -8.431 -1.618 1.00 0.00 C ATOM 492 C TYR A 31 2.749 -8.106 -2.856 1.00 0.00 C ATOM 493 O TYR A 31 2.673 -8.901 -3.793 1.00 0.00 O ATOM 494 CB TYR A 31 4.960 -7.780 -1.731 1.00 0.00 C ATOM 495 CG TYR A 31 5.868 -8.078 -0.560 1.00 0.00 C ATOM 496 CD1 TYR A 31 5.570 -7.609 0.713 1.00 0.00 C ATOM 497 CD2 TYR A 31 7.025 -8.830 -0.727 1.00 0.00 C ATOM 498 CE1 TYR A 31 6.397 -7.878 1.786 1.00 0.00 C ATOM 499 CE2 TYR A 31 7.857 -9.106 0.341 1.00 0.00 C ATOM 500 CZ TYR A 31 7.539 -8.628 1.595 1.00 0.00 C ATOM 501 OH TYR A 31 8.367 -8.899 2.660 1.00 0.00 O ATOM 0 H TYR A 31 4.156 -10.352 -2.228 1.00 0.00 H new ATOM 0 HA TYR A 31 3.067 -8.031 -0.743 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.440 -8.122 -2.648 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.837 -6.701 -1.819 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.676 -7.023 0.867 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.278 -9.205 -1.708 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.151 -7.503 2.769 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.752 -9.693 0.195 1.00 0.00 H new ATOM 0 HH TYR A 31 9.126 -9.439 2.355 1.00 0.00 H new ATOM 511 N PHE A 32 2.127 -6.932 -2.851 1.00 0.00 N ATOM 512 CA PHE A 32 1.301 -6.500 -3.973 1.00 0.00 C ATOM 513 C PHE A 32 1.195 -4.979 -4.016 1.00 0.00 C ATOM 514 O PHE A 32 1.376 -4.305 -3.002 1.00 0.00 O ATOM 515 CB PHE A 32 -0.096 -7.117 -3.871 1.00 0.00 C ATOM 516 CG PHE A 32 -0.080 -8.607 -3.677 1.00 0.00 C ATOM 517 CD1 PHE A 32 0.124 -9.152 -2.420 1.00 0.00 C ATOM 518 CD2 PHE A 32 -0.270 -9.461 -4.751 1.00 0.00 C ATOM 519 CE1 PHE A 32 0.138 -10.522 -2.237 1.00 0.00 C ATOM 520 CE2 PHE A 32 -0.257 -10.831 -4.575 1.00 0.00 C ATOM 521 CZ PHE A 32 -0.052 -11.363 -3.316 1.00 0.00 C ATOM 0 H PHE A 32 2.179 -6.263 -2.083 1.00 0.00 H new ATOM 0 HA PHE A 32 1.775 -6.840 -4.894 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.628 -6.656 -3.039 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.655 -6.882 -4.777 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.274 -8.499 -1.573 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.430 -9.051 -5.737 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.297 -10.934 -1.252 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.407 -11.486 -5.421 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.040 -12.434 -3.176 1.00 0.00 H new ATOM 531 N GLN A 33 0.902 -4.446 -5.198 1.00 0.00 N ATOM 532 CA GLN A 33 0.773 -3.004 -5.374 1.00 0.00 C ATOM 533 C GLN A 33 -0.401 -2.670 -6.288 1.00 0.00 C ATOM 534 O GLN A 33 -0.611 -3.323 -7.309 1.00 0.00 O ATOM 535 CB GLN A 33 2.065 -2.422 -5.951 1.00 0.00 C ATOM 536 CG GLN A 33 2.494 -3.070 -7.257 1.00 0.00 C ATOM 537 CD GLN A 33 3.281 -2.126 -8.145 1.00 0.00 C ATOM 538 OE1 GLN A 33 2.706 -1.332 -8.891 1.00 0.00 O ATOM 539 NE2 GLN A 33 4.604 -2.208 -8.070 1.00 0.00 N ATOM 0 H GLN A 33 0.750 -4.990 -6.047 1.00 0.00 H new ATOM 0 HA GLN A 33 0.587 -2.559 -4.396 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.931 -1.352 -6.112 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.864 -2.536 -5.219 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.101 -3.949 -7.040 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.611 -3.416 -7.794 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.038 -2.881 -7.438 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.186 -1.598 -8.644 1.00 0.00 H new ATOM 548 N GLY A 34 -1.165 -1.648 -5.913 1.00 0.00 N ATOM 549 CA GLY A 34 -2.309 -1.245 -6.710 1.00 0.00 C ATOM 550 C GLY A 34 -3.385 -0.573 -5.881 1.00 0.00 C ATOM 551 O GLY A 34 -4.466 -1.129 -5.685 1.00 0.00 O ATOM 0 H GLY A 34 -1.012 -1.092 -5.072 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.980 -0.563 -7.494 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.730 -2.120 -7.205 1.00 0.00 H new ATOM 555 N SER A 35 -3.089 0.627 -5.390 1.00 0.00 N ATOM 556 CA SER A 35 -4.038 1.373 -4.572 1.00 0.00 C ATOM 557 C SER A 35 -5.188 1.904 -5.423 1.00 0.00 C ATOM 558 O SER A 35 -5.012 2.216 -6.600 1.00 0.00 O ATOM 559 CB SER A 35 -3.333 2.534 -3.867 1.00 0.00 C ATOM 560 OG SER A 35 -4.219 3.217 -2.998 1.00 0.00 O ATOM 0 H SER A 35 -2.200 1.103 -5.545 1.00 0.00 H new ATOM 0 HA SER A 35 -4.446 0.695 -3.822 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.482 2.156 -3.300 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.939 3.229 -4.609 1.00 0.00 H new ATOM 0 HG SER A 35 -3.744 3.953 -2.559 1.00 0.00 H new ATOM 566 N SER A 36 -6.367 2.002 -4.817 1.00 0.00 N ATOM 567 CA SER A 36 -7.548 2.491 -5.518 1.00 0.00 C ATOM 568 C SER A 36 -7.967 3.859 -4.989 1.00 0.00 C ATOM 569 O SER A 36 -9.151 4.192 -4.964 1.00 0.00 O ATOM 570 CB SER A 36 -8.703 1.498 -5.368 1.00 0.00 C ATOM 571 OG SER A 36 -8.439 0.299 -6.074 1.00 0.00 O ATOM 0 H SER A 36 -6.530 1.749 -3.842 1.00 0.00 H new ATOM 0 HA SER A 36 -7.298 2.591 -6.574 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.860 1.275 -4.313 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.624 1.947 -5.740 1.00 0.00 H new ATOM 0 HG SER A 36 -9.191 -0.319 -5.961 1.00 0.00 H new ATOM 577 N GLY A 37 -6.985 4.649 -4.565 1.00 0.00 N ATOM 578 CA GLY A 37 -7.270 5.972 -4.041 1.00 0.00 C ATOM 579 C GLY A 37 -6.547 6.248 -2.738 1.00 0.00 C ATOM 580 O GLY A 37 -5.366 6.594 -2.737 1.00 0.00 O ATOM 0 H GLY A 37 -5.997 4.396 -4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.982 6.721 -4.778 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.344 6.074 -3.886 1.00 0.00 H new ATOM 584 N SER A 38 -7.258 6.098 -1.625 1.00 0.00 N ATOM 585 CA SER A 38 -6.678 6.339 -0.309 1.00 0.00 C ATOM 586 C SER A 38 -6.600 5.045 0.496 1.00 0.00 C ATOM 587 O SER A 38 -7.195 4.033 0.124 1.00 0.00 O ATOM 588 CB SER A 38 -7.503 7.378 0.453 1.00 0.00 C ATOM 589 OG SER A 38 -7.090 8.694 0.128 1.00 0.00 O ATOM 0 H SER A 38 -8.237 5.811 -1.608 1.00 0.00 H new ATOM 0 HA SER A 38 -5.667 6.720 -0.450 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.559 7.255 0.214 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.398 7.215 1.526 1.00 0.00 H new ATOM 0 HG SER A 38 -7.633 9.340 0.626 1.00 0.00 H new ATOM 595 N SER A 39 -5.862 5.086 1.600 1.00 0.00 N ATOM 596 CA SER A 39 -5.702 3.917 2.457 1.00 0.00 C ATOM 597 C SER A 39 -7.059 3.350 2.861 1.00 0.00 C ATOM 598 O SER A 39 -7.182 2.167 3.176 1.00 0.00 O ATOM 599 CB SER A 39 -4.896 4.279 3.705 1.00 0.00 C ATOM 600 OG SER A 39 -4.477 3.116 4.397 1.00 0.00 O ATOM 0 H SER A 39 -5.365 5.916 1.922 1.00 0.00 H new ATOM 0 HA SER A 39 -5.163 3.156 1.894 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.025 4.870 3.421 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.501 4.900 4.365 1.00 0.00 H new ATOM 0 HG SER A 39 -4.985 3.031 5.231 1.00 0.00 H new ATOM 606 N GLY A 40 -8.078 4.204 2.849 1.00 0.00 N ATOM 607 CA GLY A 40 -9.414 3.772 3.216 1.00 0.00 C ATOM 608 C GLY A 40 -10.034 2.859 2.177 1.00 0.00 C ATOM 609 O GLY A 40 -10.443 1.741 2.488 1.00 0.00 O ATOM 0 H GLY A 40 -8.002 5.188 2.591 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.374 3.253 4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.050 4.646 3.353 1.00 0.00 H new ATOM 613 N ASP A 41 -10.105 3.337 0.939 1.00 0.00 N ATOM 614 CA ASP A 41 -10.681 2.557 -0.150 1.00 0.00 C ATOM 615 C ASP A 41 -10.194 1.112 -0.099 1.00 0.00 C ATOM 616 O ASP A 41 -10.975 0.178 -0.276 1.00 0.00 O ATOM 617 CB ASP A 41 -10.322 3.183 -1.499 1.00 0.00 C ATOM 618 CG ASP A 41 -10.981 4.533 -1.704 1.00 0.00 C ATOM 619 OD1 ASP A 41 -10.411 5.546 -1.248 1.00 0.00 O ATOM 620 OD2 ASP A 41 -12.065 4.576 -2.321 1.00 0.00 O ATOM 0 H ASP A 41 -9.771 4.261 0.665 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.765 2.560 -0.034 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.240 3.296 -1.568 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.624 2.509 -2.301 1.00 0.00 H new ATOM 625 N MET A 42 -8.899 0.938 0.142 1.00 0.00 N ATOM 626 CA MET A 42 -8.308 -0.394 0.216 1.00 0.00 C ATOM 627 C MET A 42 -9.229 -1.356 0.959 1.00 0.00 C ATOM 628 O MET A 42 -9.600 -2.406 0.433 1.00 0.00 O ATOM 629 CB MET A 42 -6.947 -0.333 0.910 1.00 0.00 C ATOM 630 CG MET A 42 -5.786 -0.112 -0.047 1.00 0.00 C ATOM 631 SD MET A 42 -5.085 -1.656 -0.658 1.00 0.00 S ATOM 632 CE MET A 42 -5.828 -1.744 -2.285 1.00 0.00 C ATOM 0 H MET A 42 -8.239 1.701 0.289 1.00 0.00 H new ATOM 0 HA MET A 42 -8.172 -0.762 -0.801 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.959 0.471 1.645 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.785 -1.262 1.456 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.126 0.487 -0.892 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.008 0.461 0.458 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.301 -2.484 -2.886 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.875 -2.032 -2.192 1.00 0.00 H new ATOM 0 HE3 MET A 42 -5.761 -0.770 -2.769 1.00 0.00 H new ATOM 642 N MET A 43 -9.593 -0.993 2.184 1.00 0.00 N ATOM 643 CA MET A 43 -10.471 -1.825 2.998 1.00 0.00 C ATOM 644 C MET A 43 -11.758 -2.154 2.248 1.00 0.00 C ATOM 645 O MET A 43 -12.093 -3.322 2.054 1.00 0.00 O ATOM 646 CB MET A 43 -10.801 -1.119 4.315 1.00 0.00 C ATOM 647 CG MET A 43 -9.574 -0.781 5.147 1.00 0.00 C ATOM 648 SD MET A 43 -9.992 -0.282 6.829 1.00 0.00 S ATOM 649 CE MET A 43 -9.733 -1.819 7.711 1.00 0.00 C ATOM 0 H MET A 43 -9.294 -0.128 2.635 1.00 0.00 H new ATOM 0 HA MET A 43 -9.949 -2.757 3.214 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.347 -0.201 4.099 1.00 0.00 H new ATOM 0 HB3 MET A 43 -11.464 -1.754 4.902 1.00 0.00 H new ATOM 0 HG2 MET A 43 -8.914 -1.648 5.183 1.00 0.00 H new ATOM 0 HG3 MET A 43 -9.020 0.022 4.661 1.00 0.00 H new ATOM 0 HE1 MET A 43 -10.696 -2.237 8.004 1.00 0.00 H new ATOM 0 HE2 MET A 43 -9.211 -2.526 7.065 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.134 -1.631 8.602 1.00 0.00 H new ATOM 659 N ARG A 44 -12.475 -1.116 1.829 1.00 0.00 N ATOM 660 CA ARG A 44 -13.726 -1.296 1.102 1.00 0.00 C ATOM 661 C ARG A 44 -13.535 -2.235 -0.085 1.00 0.00 C ATOM 662 O ARG A 44 -14.130 -3.311 -0.140 1.00 0.00 O ATOM 663 CB ARG A 44 -14.258 0.054 0.618 1.00 0.00 C ATOM 664 CG ARG A 44 -14.945 0.864 1.705 1.00 0.00 C ATOM 665 CD ARG A 44 -13.934 1.532 2.625 1.00 0.00 C ATOM 666 NE ARG A 44 -14.480 2.728 3.261 1.00 0.00 N ATOM 667 CZ ARG A 44 -13.942 3.302 4.331 1.00 0.00 C ATOM 668 NH1 ARG A 44 -12.848 2.792 4.881 1.00 0.00 N ATOM 669 NH2 ARG A 44 -14.497 4.389 4.852 1.00 0.00 N ATOM 0 H ARG A 44 -12.211 -0.142 1.980 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.452 -1.742 1.782 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -13.431 0.636 0.211 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -14.961 -0.114 -0.198 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.580 1.623 1.248 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.596 0.213 2.289 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.619 0.825 3.392 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.045 1.799 2.054 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.321 3.145 2.861 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.418 1.957 4.482 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.436 3.234 5.703 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -15.338 4.784 4.431 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -14.083 4.829 5.674 1.00 0.00 H new ATOM 683 N GLU A 45 -12.701 -1.819 -1.034 1.00 0.00 N ATOM 684 CA GLU A 45 -12.433 -2.623 -2.220 1.00 0.00 C ATOM 685 C GLU A 45 -12.095 -4.061 -1.838 1.00 0.00 C ATOM 686 O GLU A 45 -12.845 -4.988 -2.143 1.00 0.00 O ATOM 687 CB GLU A 45 -11.284 -2.015 -3.027 1.00 0.00 C ATOM 688 CG GLU A 45 -11.386 -2.272 -4.521 1.00 0.00 C ATOM 689 CD GLU A 45 -12.536 -1.522 -5.164 1.00 0.00 C ATOM 690 OE1 GLU A 45 -13.699 -1.922 -4.946 1.00 0.00 O ATOM 691 OE2 GLU A 45 -12.274 -0.537 -5.886 1.00 0.00 O ATOM 0 H GLU A 45 -12.200 -0.931 -1.004 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.334 -2.630 -2.833 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.259 -0.939 -2.853 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.340 -2.420 -2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.452 -1.979 -5.001 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.512 -3.341 -4.694 1.00 0.00 H new ATOM 698 N ILE A 46 -10.960 -4.238 -1.170 1.00 0.00 N ATOM 699 CA ILE A 46 -10.523 -5.563 -0.745 1.00 0.00 C ATOM 700 C ILE A 46 -11.704 -6.412 -0.288 1.00 0.00 C ATOM 701 O ILE A 46 -11.982 -7.466 -0.860 1.00 0.00 O ATOM 702 CB ILE A 46 -9.494 -5.476 0.398 1.00 0.00 C ATOM 703 CG1 ILE A 46 -8.265 -4.683 -0.051 1.00 0.00 C ATOM 704 CG2 ILE A 46 -9.093 -6.871 0.856 1.00 0.00 C ATOM 705 CD1 ILE A 46 -7.578 -3.945 1.076 1.00 0.00 C ATOM 0 H ILE A 46 -10.327 -3.481 -0.911 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.055 -6.033 -1.610 1.00 0.00 H new ATOM 0 HB ILE A 46 -9.951 -4.955 1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.553 -5.365 -0.516 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.565 -3.966 -0.815 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.365 -6.794 1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.974 -7.405 1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.651 -7.415 0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.716 -3.405 0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.275 -3.238 1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.247 -4.659 1.830 1.00 0.00 H new ATOM 717 N ARG A 47 -12.397 -5.944 0.744 1.00 0.00 N ATOM 718 CA ARG A 47 -13.550 -6.660 1.278 1.00 0.00 C ATOM 719 C ARG A 47 -14.476 -7.114 0.154 1.00 0.00 C ATOM 720 O ARG A 47 -14.970 -8.241 0.158 1.00 0.00 O ATOM 721 CB ARG A 47 -14.318 -5.773 2.260 1.00 0.00 C ATOM 722 CG ARG A 47 -13.548 -5.465 3.534 1.00 0.00 C ATOM 723 CD ARG A 47 -13.926 -4.105 4.098 1.00 0.00 C ATOM 724 NE ARG A 47 -15.220 -4.132 4.773 1.00 0.00 N ATOM 725 CZ ARG A 47 -15.688 -3.128 5.507 1.00 0.00 C ATOM 726 NH1 ARG A 47 -14.971 -2.024 5.659 1.00 0.00 N ATOM 727 NH2 ARG A 47 -16.875 -3.228 6.090 1.00 0.00 N ATOM 0 H ARG A 47 -12.181 -5.072 1.227 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.186 -7.542 1.804 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -14.575 -4.836 1.766 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.256 -6.263 2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.748 -6.237 4.277 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.478 -5.490 3.329 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.158 -3.778 4.799 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.954 -3.373 3.291 1.00 0.00 H new ATOM 0 HE ARG A 47 -15.797 -4.968 4.676 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.058 -1.943 5.212 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -15.332 -1.255 6.223 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -17.430 -4.076 5.975 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -17.233 -2.457 6.653 1.00 0.00 H new ATOM 741 N LYS A 48 -14.708 -6.227 -0.809 1.00 0.00 N ATOM 742 CA LYS A 48 -15.574 -6.536 -1.941 1.00 0.00 C ATOM 743 C LYS A 48 -15.174 -7.857 -2.588 1.00 0.00 C ATOM 744 O LYS A 48 -16.025 -8.686 -2.910 1.00 0.00 O ATOM 745 CB LYS A 48 -15.516 -5.410 -2.975 1.00 0.00 C ATOM 746 CG LYS A 48 -16.690 -5.407 -3.939 1.00 0.00 C ATOM 747 CD LYS A 48 -16.402 -6.250 -5.170 1.00 0.00 C ATOM 748 CE LYS A 48 -15.754 -5.425 -6.271 1.00 0.00 C ATOM 749 NZ LYS A 48 -14.271 -5.390 -6.139 1.00 0.00 N ATOM 0 H LYS A 48 -14.308 -5.289 -0.828 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.595 -6.629 -1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.481 -4.453 -2.455 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.590 -5.498 -3.544 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.577 -5.789 -3.434 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.911 -4.383 -4.241 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -15.746 -7.078 -4.900 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -17.330 -6.686 -5.539 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -16.022 -5.841 -7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.145 -4.408 -6.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.845 -5.176 -7.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.001 -4.655 -5.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.930 -6.315 -5.807 1.00 0.00 H new ATOM 763 N VAL A 49 -13.872 -8.048 -2.776 1.00 0.00 N ATOM 764 CA VAL A 49 -13.358 -9.270 -3.383 1.00 0.00 C ATOM 765 C VAL A 49 -13.779 -10.499 -2.585 1.00 0.00 C ATOM 766 O VAL A 49 -14.349 -11.444 -3.133 1.00 0.00 O ATOM 767 CB VAL A 49 -11.822 -9.242 -3.489 1.00 0.00 C ATOM 768 CG1 VAL A 49 -11.329 -10.349 -4.408 1.00 0.00 C ATOM 769 CG2 VAL A 49 -11.347 -7.881 -3.977 1.00 0.00 C ATOM 0 H VAL A 49 -13.154 -7.372 -2.517 1.00 0.00 H new ATOM 0 HA VAL A 49 -13.782 -9.328 -4.385 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.404 -9.414 -2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -10.241 -10.313 -4.470 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.638 -11.316 -4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.754 -10.213 -5.402 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.259 -7.879 -4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.774 -7.677 -4.959 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.668 -7.111 -3.276 1.00 0.00 H new ATOM 779 N LEU A 50 -13.495 -10.480 -1.287 1.00 0.00 N ATOM 780 CA LEU A 50 -13.845 -11.593 -0.411 1.00 0.00 C ATOM 781 C LEU A 50 -15.292 -12.024 -0.630 1.00 0.00 C ATOM 782 O LEU A 50 -15.559 -13.152 -1.043 1.00 0.00 O ATOM 783 CB LEU A 50 -13.633 -11.203 1.052 1.00 0.00 C ATOM 784 CG LEU A 50 -12.294 -10.541 1.383 1.00 0.00 C ATOM 785 CD1 LEU A 50 -12.208 -10.223 2.868 1.00 0.00 C ATOM 786 CD2 LEU A 50 -11.138 -11.435 0.959 1.00 0.00 C ATOM 0 H LEU A 50 -13.024 -9.706 -0.818 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.194 -12.433 -0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.434 -10.524 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.734 -12.099 1.664 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.226 -9.605 0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.249 -9.753 3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.015 -9.544 3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.298 -11.144 3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.193 -10.948 1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.202 -12.387 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.189 -11.611 -0.115 1.00 0.00 H new ATOM 798 N GLY A 51 -16.223 -11.117 -0.350 1.00 0.00 N ATOM 799 CA GLY A 51 -17.631 -11.422 -0.524 1.00 0.00 C ATOM 800 C GLY A 51 -17.920 -12.092 -1.853 1.00 0.00 C ATOM 801 O GLY A 51 -18.773 -12.974 -1.939 1.00 0.00 O ATOM 0 H GLY A 51 -16.027 -10.177 -0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.961 -12.072 0.286 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.211 -10.502 -0.451 1.00 0.00 H new ATOM 805 N ALA A 52 -17.207 -11.671 -2.893 1.00 0.00 N ATOM 806 CA ALA A 52 -17.391 -12.236 -4.224 1.00 0.00 C ATOM 807 C ALA A 52 -16.931 -13.689 -4.271 1.00 0.00 C ATOM 808 O ALA A 52 -17.557 -14.528 -4.918 1.00 0.00 O ATOM 809 CB ALA A 52 -16.641 -11.409 -5.257 1.00 0.00 C ATOM 0 H ALA A 52 -16.497 -10.941 -2.839 1.00 0.00 H new ATOM 0 HA ALA A 52 -18.455 -12.211 -4.459 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.787 -11.843 -6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.019 -10.387 -5.249 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.578 -11.404 -5.017 1.00 0.00 H new ATOM 815 N ASN A 53 -15.832 -13.980 -3.583 1.00 0.00 N ATOM 816 CA ASN A 53 -15.287 -15.332 -3.548 1.00 0.00 C ATOM 817 C ASN A 53 -15.743 -16.070 -2.293 1.00 0.00 C ATOM 818 O ASN A 53 -14.961 -16.776 -1.657 1.00 0.00 O ATOM 819 CB ASN A 53 -13.758 -15.290 -3.601 1.00 0.00 C ATOM 820 CG ASN A 53 -13.232 -15.182 -5.019 1.00 0.00 C ATOM 821 OD1 ASN A 53 -12.494 -16.050 -5.487 1.00 0.00 O ATOM 822 ND2 ASN A 53 -13.610 -14.114 -5.711 1.00 0.00 N ATOM 0 H ASN A 53 -15.301 -13.297 -3.042 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.660 -15.870 -4.420 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.400 -14.441 -3.018 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.356 -16.189 -3.135 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.288 -13.988 -6.670 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.223 -13.420 -5.283 1.00 0.00 H new ATOM 829 N ASN A 54 -17.014 -15.902 -1.944 1.00 0.00 N ATOM 830 CA ASN A 54 -17.576 -16.553 -0.765 1.00 0.00 C ATOM 831 C ASN A 54 -16.578 -16.541 0.389 1.00 0.00 C ATOM 832 O ASN A 54 -16.411 -17.541 1.089 1.00 0.00 O ATOM 833 CB ASN A 54 -17.976 -17.992 -1.093 1.00 0.00 C ATOM 834 CG ASN A 54 -19.092 -18.063 -2.118 1.00 0.00 C ATOM 835 OD1 ASN A 54 -20.199 -17.578 -1.881 1.00 0.00 O ATOM 836 ND2 ASN A 54 -18.805 -18.669 -3.264 1.00 0.00 N ATOM 0 H ASN A 54 -17.675 -15.321 -2.460 1.00 0.00 H new ATOM 0 HA ASN A 54 -18.463 -15.997 -0.461 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -17.106 -18.531 -1.469 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -18.293 -18.495 -0.180 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.516 -18.747 -3.992 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -17.874 -19.056 -3.417 1.00 0.00 H new ATOM 843 N CYS A 55 -15.919 -15.404 0.582 1.00 0.00 N ATOM 844 CA CYS A 55 -14.937 -15.262 1.652 1.00 0.00 C ATOM 845 C CYS A 55 -15.406 -14.247 2.689 1.00 0.00 C ATOM 846 O CYS A 55 -15.962 -13.204 2.344 1.00 0.00 O ATOM 847 CB CYS A 55 -13.585 -14.835 1.078 1.00 0.00 C ATOM 848 SG CYS A 55 -12.670 -16.171 0.273 1.00 0.00 S ATOM 0 H CYS A 55 -16.046 -14.568 0.012 1.00 0.00 H new ATOM 0 HA CYS A 55 -14.827 -16.230 2.141 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -13.745 -14.033 0.357 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -12.974 -14.424 1.882 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.392 -16.678 -0.682 1.00 0.00 H new ATOM 854 N ASP A 56 -15.180 -14.560 3.960 1.00 0.00 N ATOM 855 CA ASP A 56 -15.580 -13.676 5.048 1.00 0.00 C ATOM 856 C ASP A 56 -14.368 -12.975 5.653 1.00 0.00 C ATOM 857 O ASP A 56 -13.227 -13.381 5.427 1.00 0.00 O ATOM 858 CB ASP A 56 -16.321 -14.465 6.129 1.00 0.00 C ATOM 859 CG ASP A 56 -17.234 -15.526 5.548 1.00 0.00 C ATOM 860 OD1 ASP A 56 -16.746 -16.642 5.273 1.00 0.00 O ATOM 861 OD2 ASP A 56 -18.436 -15.241 5.367 1.00 0.00 O ATOM 0 H ASP A 56 -14.722 -15.420 4.262 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.249 -12.918 4.640 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.596 -14.937 6.792 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -16.909 -13.778 6.738 1.00 0.00 H new ATOM 866 N TYR A 57 -14.622 -11.922 6.421 1.00 0.00 N ATOM 867 CA TYR A 57 -13.551 -11.163 7.056 1.00 0.00 C ATOM 868 C TYR A 57 -14.000 -10.609 8.404 1.00 0.00 C ATOM 869 O TYR A 57 -15.178 -10.311 8.603 1.00 0.00 O ATOM 870 CB TYR A 57 -13.101 -10.018 6.146 1.00 0.00 C ATOM 871 CG TYR A 57 -14.243 -9.183 5.613 1.00 0.00 C ATOM 872 CD1 TYR A 57 -15.042 -9.645 4.575 1.00 0.00 C ATOM 873 CD2 TYR A 57 -14.524 -7.932 6.150 1.00 0.00 C ATOM 874 CE1 TYR A 57 -16.086 -8.885 4.085 1.00 0.00 C ATOM 875 CE2 TYR A 57 -15.567 -7.166 5.667 1.00 0.00 C ATOM 876 CZ TYR A 57 -16.345 -7.646 4.634 1.00 0.00 C ATOM 877 OH TYR A 57 -17.385 -6.887 4.149 1.00 0.00 O ATOM 0 H TYR A 57 -15.560 -11.574 6.619 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.712 -11.838 7.223 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.418 -9.373 6.699 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.541 -10.431 5.307 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -14.844 -10.615 4.144 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.917 -7.553 6.958 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -16.696 -9.259 3.276 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -15.772 -6.196 6.096 1.00 0.00 H new ATOM 0 HH TYR A 57 -17.587 -6.167 4.782 1.00 0.00 H new ATOM 887 N GLU A 58 -13.053 -10.474 9.327 1.00 0.00 N ATOM 888 CA GLU A 58 -13.351 -9.956 10.657 1.00 0.00 C ATOM 889 C GLU A 58 -12.479 -8.745 10.978 1.00 0.00 C ATOM 890 O GLU A 58 -11.296 -8.884 11.284 1.00 0.00 O ATOM 891 CB GLU A 58 -13.139 -11.045 11.711 1.00 0.00 C ATOM 892 CG GLU A 58 -13.659 -10.667 13.088 1.00 0.00 C ATOM 893 CD GLU A 58 -15.100 -11.088 13.303 1.00 0.00 C ATOM 894 OE1 GLU A 58 -15.340 -12.296 13.509 1.00 0.00 O ATOM 895 OE2 GLU A 58 -15.987 -10.210 13.265 1.00 0.00 O ATOM 0 H GLU A 58 -12.073 -10.716 9.178 1.00 0.00 H new ATOM 0 HA GLU A 58 -14.395 -9.644 10.672 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -13.635 -11.958 11.383 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.074 -11.268 11.782 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.031 -11.131 13.849 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.576 -9.588 13.220 1.00 0.00 H new ATOM 902 N GLN A 59 -13.074 -7.559 10.904 1.00 0.00 N ATOM 903 CA GLN A 59 -12.352 -6.324 11.185 1.00 0.00 C ATOM 904 C GLN A 59 -11.790 -6.333 12.602 1.00 0.00 C ATOM 905 O GLN A 59 -12.522 -6.540 13.570 1.00 0.00 O ATOM 906 CB GLN A 59 -13.272 -5.116 10.996 1.00 0.00 C ATOM 907 CG GLN A 59 -12.526 -3.799 10.857 1.00 0.00 C ATOM 908 CD GLN A 59 -12.316 -3.104 12.188 1.00 0.00 C ATOM 909 OE1 GLN A 59 -13.275 -2.740 12.869 1.00 0.00 O ATOM 910 NE2 GLN A 59 -11.057 -2.917 12.567 1.00 0.00 N ATOM 0 H GLN A 59 -14.054 -7.427 10.652 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.520 -6.251 10.484 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.885 -5.272 10.108 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.952 -5.051 11.846 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.558 -3.982 10.390 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -13.082 -3.139 10.191 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.292 -3.235 11.971 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.855 -2.456 13.454 1.00 0.00 H new ATOM 919 N ARG A 60 -10.485 -6.106 12.718 1.00 0.00 N ATOM 920 CA ARG A 60 -9.825 -6.090 14.017 1.00 0.00 C ATOM 921 C ARG A 60 -9.401 -4.673 14.393 1.00 0.00 C ATOM 922 O ARG A 60 -9.710 -4.192 15.483 1.00 0.00 O ATOM 923 CB ARG A 60 -8.605 -7.013 14.005 1.00 0.00 C ATOM 924 CG ARG A 60 -8.919 -8.432 13.560 1.00 0.00 C ATOM 925 CD ARG A 60 -9.810 -9.146 14.565 1.00 0.00 C ATOM 926 NE ARG A 60 -9.033 -9.827 15.597 1.00 0.00 N ATOM 927 CZ ARG A 60 -8.646 -9.247 16.728 1.00 0.00 C ATOM 928 NH1 ARG A 60 -8.962 -7.983 16.971 1.00 0.00 N ATOM 929 NH2 ARG A 60 -7.942 -9.933 17.620 1.00 0.00 N ATOM 0 H ARG A 60 -9.865 -5.931 11.928 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.535 -6.449 14.762 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.848 -6.593 13.342 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.172 -7.042 15.005 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.411 -8.409 12.588 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.991 -8.989 13.435 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.480 -8.424 15.032 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.435 -9.871 14.044 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.773 -10.801 15.441 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.504 -7.453 16.289 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.663 -7.541 17.840 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -7.698 -10.906 17.437 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -7.645 -9.487 18.488 1.00 0.00 H new ATOM 943 N GLU A 61 -8.691 -4.012 13.484 1.00 0.00 N ATOM 944 CA GLU A 61 -8.223 -2.652 13.722 1.00 0.00 C ATOM 945 C GLU A 61 -8.620 -1.731 12.572 1.00 0.00 C ATOM 946 O GLU A 61 -8.960 -2.193 11.482 1.00 0.00 O ATOM 947 CB GLU A 61 -6.704 -2.635 13.903 1.00 0.00 C ATOM 948 CG GLU A 61 -6.208 -3.591 14.974 1.00 0.00 C ATOM 949 CD GLU A 61 -6.293 -3.000 16.368 1.00 0.00 C ATOM 950 OE1 GLU A 61 -7.351 -3.155 17.013 1.00 0.00 O ATOM 951 OE2 GLU A 61 -5.303 -2.383 16.813 1.00 0.00 O ATOM 0 H GLU A 61 -8.428 -4.396 12.577 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.694 -2.288 14.635 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.231 -2.888 12.954 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.388 -1.623 14.157 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.794 -4.509 14.936 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.174 -3.864 14.762 1.00 0.00 H new ATOM 958 N ARG A 62 -8.575 -0.427 12.823 1.00 0.00 N ATOM 959 CA ARG A 62 -8.931 0.559 11.809 1.00 0.00 C ATOM 960 C ARG A 62 -8.377 0.160 10.445 1.00 0.00 C ATOM 961 O ARG A 62 -9.097 0.164 9.446 1.00 0.00 O ATOM 962 CB ARG A 62 -8.402 1.940 12.203 1.00 0.00 C ATOM 963 CG ARG A 62 -6.890 1.996 12.342 1.00 0.00 C ATOM 964 CD ARG A 62 -6.419 3.381 12.757 1.00 0.00 C ATOM 965 NE ARG A 62 -5.077 3.354 13.332 1.00 0.00 N ATOM 966 CZ ARG A 62 -4.270 4.408 13.364 1.00 0.00 C ATOM 967 NH1 ARG A 62 -4.667 5.567 12.857 1.00 0.00 N ATOM 968 NH2 ARG A 62 -3.063 4.305 13.905 1.00 0.00 N ATOM 0 H ARG A 62 -8.296 -0.028 13.719 1.00 0.00 H new ATOM 0 HA ARG A 62 -10.018 0.599 11.742 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.717 2.667 11.455 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.857 2.238 13.148 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.564 1.263 13.080 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.426 1.722 11.395 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.429 4.042 11.890 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.116 3.798 13.484 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.741 2.477 13.731 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.595 5.651 12.441 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.045 6.375 12.883 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.754 3.415 14.297 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.444 5.115 13.929 1.00 0.00 H new ATOM 982 N PHE A 63 -7.094 -0.183 10.410 1.00 0.00 N ATOM 983 CA PHE A 63 -6.443 -0.583 9.168 1.00 0.00 C ATOM 984 C PHE A 63 -6.015 -2.046 9.224 1.00 0.00 C ATOM 985 O PHE A 63 -4.923 -2.404 8.779 1.00 0.00 O ATOM 986 CB PHE A 63 -5.227 0.306 8.895 1.00 0.00 C ATOM 987 CG PHE A 63 -5.583 1.736 8.604 1.00 0.00 C ATOM 988 CD1 PHE A 63 -6.428 2.053 7.553 1.00 0.00 C ATOM 989 CD2 PHE A 63 -5.073 2.762 9.383 1.00 0.00 C ATOM 990 CE1 PHE A 63 -6.756 3.368 7.283 1.00 0.00 C ATOM 991 CE2 PHE A 63 -5.398 4.079 9.118 1.00 0.00 C ATOM 992 CZ PHE A 63 -6.241 4.383 8.067 1.00 0.00 C ATOM 0 H PHE A 63 -6.484 -0.192 11.228 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.161 -0.464 8.357 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.562 0.274 9.758 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.672 -0.101 8.050 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.835 1.264 6.938 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.414 2.530 10.207 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.414 3.602 6.460 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.993 4.870 9.732 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.497 5.411 7.858 1.00 0.00 H new ATOM 1002 N LEU A 64 -6.882 -2.889 9.775 1.00 0.00 N ATOM 1003 CA LEU A 64 -6.594 -4.314 9.892 1.00 0.00 C ATOM 1004 C LEU A 64 -7.869 -5.140 9.749 1.00 0.00 C ATOM 1005 O LEU A 64 -8.838 -4.937 10.481 1.00 0.00 O ATOM 1006 CB LEU A 64 -5.928 -4.612 11.236 1.00 0.00 C ATOM 1007 CG LEU A 64 -5.199 -5.952 11.342 1.00 0.00 C ATOM 1008 CD1 LEU A 64 -3.746 -5.804 10.918 1.00 0.00 C ATOM 1009 CD2 LEU A 64 -5.290 -6.499 12.759 1.00 0.00 C ATOM 0 H LEU A 64 -7.790 -2.610 10.148 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.912 -4.589 9.087 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.215 -3.816 11.450 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.691 -4.574 12.013 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.682 -6.661 10.669 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.243 -6.768 11.000 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.702 -5.458 9.885 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.250 -5.080 11.565 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.766 -7.453 12.815 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.833 -5.792 13.452 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.337 -6.644 13.026 1.00 0.00 H new ATOM 1021 N LEU A 65 -7.860 -6.073 8.803 1.00 0.00 N ATOM 1022 CA LEU A 65 -9.015 -6.932 8.565 1.00 0.00 C ATOM 1023 C LEU A 65 -8.596 -8.396 8.480 1.00 0.00 C ATOM 1024 O LEU A 65 -7.714 -8.755 7.700 1.00 0.00 O ATOM 1025 CB LEU A 65 -9.727 -6.517 7.276 1.00 0.00 C ATOM 1026 CG LEU A 65 -10.733 -5.373 7.403 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -10.862 -4.626 6.085 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -12.087 -5.901 7.854 1.00 0.00 C ATOM 0 H LEU A 65 -7.066 -6.254 8.189 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.701 -6.818 9.404 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.972 -6.231 6.544 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.246 -7.388 6.875 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.368 -4.676 8.157 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.582 -3.815 6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.893 -4.214 5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.203 -5.312 5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.791 -5.073 7.939 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.459 -6.620 7.124 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.983 -6.389 8.823 1.00 0.00 H new ATOM 1040 N PHE A 66 -9.237 -9.237 9.285 1.00 0.00 N ATOM 1041 CA PHE A 66 -8.932 -10.663 9.299 1.00 0.00 C ATOM 1042 C PHE A 66 -9.659 -11.386 8.170 1.00 0.00 C ATOM 1043 O PHE A 66 -10.819 -11.776 8.313 1.00 0.00 O ATOM 1044 CB PHE A 66 -9.321 -11.275 10.646 1.00 0.00 C ATOM 1045 CG PHE A 66 -8.790 -12.666 10.848 1.00 0.00 C ATOM 1046 CD1 PHE A 66 -9.285 -13.725 10.105 1.00 0.00 C ATOM 1047 CD2 PHE A 66 -7.797 -12.914 11.782 1.00 0.00 C ATOM 1048 CE1 PHE A 66 -8.799 -15.006 10.288 1.00 0.00 C ATOM 1049 CE2 PHE A 66 -7.306 -14.192 11.969 1.00 0.00 C ATOM 1050 CZ PHE A 66 -7.809 -15.240 11.222 1.00 0.00 C ATOM 0 H PHE A 66 -9.970 -8.956 9.936 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.859 -10.781 9.150 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.953 -10.634 11.447 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.408 -11.294 10.727 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -10.060 -13.548 9.374 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.402 -12.099 12.371 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -9.193 -15.823 9.701 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.530 -14.372 12.698 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.429 -16.240 11.368 1.00 0.00 H new ATOM 1060 N CYS A 67 -8.970 -11.562 7.048 1.00 0.00 N ATOM 1061 CA CYS A 67 -9.550 -12.237 5.892 1.00 0.00 C ATOM 1062 C CYS A 67 -9.511 -13.751 6.071 1.00 0.00 C ATOM 1063 O CYS A 67 -8.592 -14.291 6.688 1.00 0.00 O ATOM 1064 CB CYS A 67 -8.803 -11.843 4.617 1.00 0.00 C ATOM 1065 SG CYS A 67 -8.890 -10.080 4.226 1.00 0.00 S ATOM 0 H CYS A 67 -8.009 -11.247 6.914 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.591 -11.926 5.805 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.757 -12.131 4.718 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.210 -12.410 3.780 1.00 0.00 H new ATOM 0 HG CYS A 67 -7.942 -9.773 3.391 1.00 0.00 H new ATOM 1071 N VAL A 68 -10.516 -14.432 5.529 1.00 0.00 N ATOM 1072 CA VAL A 68 -10.598 -15.884 5.629 1.00 0.00 C ATOM 1073 C VAL A 68 -11.398 -16.471 4.472 1.00 0.00 C ATOM 1074 O VAL A 68 -12.443 -15.940 4.094 1.00 0.00 O ATOM 1075 CB VAL A 68 -11.243 -16.320 6.959 1.00 0.00 C ATOM 1076 CG1 VAL A 68 -12.606 -15.668 7.129 1.00 0.00 C ATOM 1077 CG2 VAL A 68 -11.355 -17.835 7.024 1.00 0.00 C ATOM 0 H VAL A 68 -11.285 -14.001 5.016 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.576 -16.262 5.588 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.605 -15.991 7.779 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -13.047 -15.987 8.073 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.493 -14.584 7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -13.257 -15.965 6.306 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.813 -18.126 7.970 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.972 -18.190 6.198 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.361 -18.277 6.951 1.00 0.00 H new ATOM 1087 N HIS A 69 -10.902 -17.570 3.914 1.00 0.00 N ATOM 1088 CA HIS A 69 -11.572 -18.231 2.799 1.00 0.00 C ATOM 1089 C HIS A 69 -12.151 -19.575 3.232 1.00 0.00 C ATOM 1090 O HIS A 69 -11.503 -20.339 3.947 1.00 0.00 O ATOM 1091 CB HIS A 69 -10.598 -18.432 1.638 1.00 0.00 C ATOM 1092 CG HIS A 69 -11.107 -19.368 0.585 1.00 0.00 C ATOM 1093 ND1 HIS A 69 -10.365 -20.420 0.091 1.00 0.00 N ATOM 1094 CD2 HIS A 69 -12.292 -19.406 -0.068 1.00 0.00 C ATOM 1095 CE1 HIS A 69 -11.071 -21.064 -0.821 1.00 0.00 C ATOM 1096 NE2 HIS A 69 -12.245 -20.469 -0.936 1.00 0.00 N ATOM 0 H HIS A 69 -10.039 -18.022 4.215 1.00 0.00 H new ATOM 0 HA HIS A 69 -12.391 -17.592 2.469 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.385 -17.465 1.181 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.655 -18.815 2.028 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -13.120 -18.727 0.068 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -10.744 -21.930 -1.378 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -12.994 -20.753 -1.567 1.00 0.00 H new ATOM 1105 N GLY A 70 -13.374 -19.856 2.795 1.00 0.00 N ATOM 1106 CA GLY A 70 -14.020 -21.107 3.148 1.00 0.00 C ATOM 1107 C GLY A 70 -14.662 -21.785 1.955 1.00 0.00 C ATOM 1108 O GLY A 70 -15.560 -21.227 1.324 1.00 0.00 O ATOM 0 H GLY A 70 -13.930 -19.239 2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.285 -21.779 3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.779 -20.919 3.907 1.00 0.00 H new ATOM 1112 N ASP A 71 -14.201 -22.991 1.643 1.00 0.00 N ATOM 1113 CA ASP A 71 -14.736 -23.747 0.516 1.00 0.00 C ATOM 1114 C ASP A 71 -15.631 -24.883 1.000 1.00 0.00 C ATOM 1115 O ASP A 71 -16.816 -24.935 0.675 1.00 0.00 O ATOM 1116 CB ASP A 71 -13.596 -24.306 -0.337 1.00 0.00 C ATOM 1117 CG ASP A 71 -14.085 -24.868 -1.658 1.00 0.00 C ATOM 1118 OD1 ASP A 71 -14.590 -24.082 -2.487 1.00 0.00 O ATOM 1119 OD2 ASP A 71 -13.960 -26.093 -1.863 1.00 0.00 O ATOM 0 H ASP A 71 -13.458 -23.467 2.155 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.336 -23.070 -0.092 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.868 -23.517 -0.528 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.080 -25.089 0.219 1.00 0.00 H new ATOM 1124 N GLY A 72 -15.054 -25.793 1.780 1.00 0.00 N ATOM 1125 CA GLY A 72 -15.814 -26.917 2.295 1.00 0.00 C ATOM 1126 C GLY A 72 -15.347 -27.351 3.670 1.00 0.00 C ATOM 1127 O GLY A 72 -16.162 -27.641 4.547 1.00 0.00 O ATOM 0 H GLY A 72 -14.075 -25.772 2.064 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.869 -26.648 2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.729 -27.756 1.604 1.00 0.00 H new ATOM 1131 N HIS A 73 -14.033 -27.398 3.860 1.00 0.00 N ATOM 1132 CA HIS A 73 -13.459 -27.801 5.139 1.00 0.00 C ATOM 1133 C HIS A 73 -12.131 -27.091 5.386 1.00 0.00 C ATOM 1134 O HIS A 73 -11.664 -26.319 4.550 1.00 0.00 O ATOM 1135 CB HIS A 73 -13.254 -29.316 5.175 1.00 0.00 C ATOM 1136 CG HIS A 73 -14.449 -30.069 5.673 1.00 0.00 C ATOM 1137 ND1 HIS A 73 -14.531 -30.596 6.945 1.00 0.00 N ATOM 1138 CD2 HIS A 73 -15.616 -30.382 5.063 1.00 0.00 C ATOM 1139 CE1 HIS A 73 -15.695 -31.202 7.094 1.00 0.00 C ATOM 1140 NE2 HIS A 73 -16.373 -31.085 5.967 1.00 0.00 N ATOM 0 H HIS A 73 -13.345 -27.162 3.145 1.00 0.00 H new ATOM 0 HA HIS A 73 -14.156 -27.517 5.928 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -13.006 -29.665 4.173 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -12.399 -29.544 5.812 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -15.899 -30.126 4.053 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -16.035 -31.707 7.986 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -17.307 -31.457 5.796 1.00 0.00 H new ATOM 1149 N ALA A 74 -11.530 -27.357 6.541 1.00 0.00 N ATOM 1150 CA ALA A 74 -10.256 -26.744 6.898 1.00 0.00 C ATOM 1151 C ALA A 74 -9.260 -26.839 5.747 1.00 0.00 C ATOM 1152 O ALA A 74 -8.695 -25.833 5.319 1.00 0.00 O ATOM 1153 CB ALA A 74 -9.686 -27.400 8.147 1.00 0.00 C ATOM 0 H ALA A 74 -11.905 -27.993 7.245 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.434 -25.689 7.104 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.735 -26.932 8.402 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.385 -27.276 8.974 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.530 -28.463 7.961 1.00 0.00 H new ATOM 1159 N GLU A 75 -9.048 -28.054 5.252 1.00 0.00 N ATOM 1160 CA GLU A 75 -8.118 -28.279 4.152 1.00 0.00 C ATOM 1161 C GLU A 75 -8.173 -27.129 3.150 1.00 0.00 C ATOM 1162 O GLU A 75 -7.140 -26.643 2.691 1.00 0.00 O ATOM 1163 CB GLU A 75 -8.437 -29.599 3.447 1.00 0.00 C ATOM 1164 CG GLU A 75 -7.249 -30.200 2.714 1.00 0.00 C ATOM 1165 CD GLU A 75 -7.665 -31.056 1.533 1.00 0.00 C ATOM 1166 OE1 GLU A 75 -8.097 -32.206 1.759 1.00 0.00 O ATOM 1167 OE2 GLU A 75 -7.557 -30.578 0.385 1.00 0.00 O ATOM 0 H GLU A 75 -9.508 -28.897 5.595 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.111 -28.330 4.566 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.800 -30.316 4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.247 -29.435 2.736 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.598 -29.398 2.365 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.666 -30.805 3.409 1.00 0.00 H new ATOM 1174 N ASN A 76 -9.385 -26.700 2.816 1.00 0.00 N ATOM 1175 CA ASN A 76 -9.576 -25.608 1.867 1.00 0.00 C ATOM 1176 C ASN A 76 -9.596 -24.262 2.585 1.00 0.00 C ATOM 1177 O ASN A 76 -9.281 -23.227 1.996 1.00 0.00 O ATOM 1178 CB ASN A 76 -10.877 -25.803 1.088 1.00 0.00 C ATOM 1179 CG ASN A 76 -11.107 -27.251 0.698 1.00 0.00 C ATOM 1180 OD1 ASN A 76 -10.160 -28.027 0.565 1.00 0.00 O ATOM 1181 ND2 ASN A 76 -12.368 -27.621 0.512 1.00 0.00 N ATOM 0 H ASN A 76 -10.250 -27.091 3.188 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.739 -25.615 1.169 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.715 -25.455 1.692 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.855 -25.187 0.189 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.584 -28.582 0.248 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.121 -26.944 0.633 1.00 0.00 H new ATOM 1188 N LEU A 77 -9.969 -24.283 3.860 1.00 0.00 N ATOM 1189 CA LEU A 77 -10.030 -23.065 4.660 1.00 0.00 C ATOM 1190 C LEU A 77 -8.648 -22.435 4.800 1.00 0.00 C ATOM 1191 O LEU A 77 -7.639 -23.137 4.871 1.00 0.00 O ATOM 1192 CB LEU A 77 -10.607 -23.368 6.043 1.00 0.00 C ATOM 1193 CG LEU A 77 -11.289 -22.199 6.757 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -12.767 -22.148 6.404 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -11.101 -22.311 8.263 1.00 0.00 C ATOM 0 H LEU A 77 -10.234 -25.131 4.362 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.682 -22.357 4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.329 -24.178 5.944 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.801 -23.735 6.678 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.824 -21.272 6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.236 -21.311 6.921 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.880 -22.019 5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.247 -23.078 6.710 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.592 -21.471 8.754 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -11.539 -23.245 8.616 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.037 -22.297 8.499 1.00 0.00 H new ATOM 1207 N VAL A 78 -8.609 -21.107 4.840 1.00 0.00 N ATOM 1208 CA VAL A 78 -7.351 -20.382 4.975 1.00 0.00 C ATOM 1209 C VAL A 78 -7.565 -19.031 5.648 1.00 0.00 C ATOM 1210 O VAL A 78 -8.374 -18.223 5.194 1.00 0.00 O ATOM 1211 CB VAL A 78 -6.681 -20.162 3.606 1.00 0.00 C ATOM 1212 CG1 VAL A 78 -5.443 -19.290 3.752 1.00 0.00 C ATOM 1213 CG2 VAL A 78 -6.331 -21.496 2.964 1.00 0.00 C ATOM 0 H VAL A 78 -9.435 -20.511 4.781 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.697 -20.994 5.596 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.386 -19.645 2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.983 -19.145 2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.726 -18.323 4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.732 -19.777 4.420 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.858 -21.322 1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.644 -22.042 3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.240 -22.082 2.823 1.00 0.00 H new ATOM 1223 N GLN A 79 -6.833 -18.794 6.732 1.00 0.00 N ATOM 1224 CA GLN A 79 -6.943 -17.540 7.467 1.00 0.00 C ATOM 1225 C GLN A 79 -5.711 -16.669 7.247 1.00 0.00 C ATOM 1226 O GLN A 79 -4.580 -17.151 7.310 1.00 0.00 O ATOM 1227 CB GLN A 79 -7.128 -17.814 8.961 1.00 0.00 C ATOM 1228 CG GLN A 79 -8.394 -18.590 9.285 1.00 0.00 C ATOM 1229 CD GLN A 79 -8.286 -19.367 10.582 1.00 0.00 C ATOM 1230 OE1 GLN A 79 -7.499 -19.021 11.463 1.00 0.00 O ATOM 1231 NE2 GLN A 79 -9.079 -20.425 10.707 1.00 0.00 N ATOM 0 H GLN A 79 -6.158 -19.453 7.120 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.815 -17.005 7.092 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.266 -18.371 9.329 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.147 -16.865 9.496 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.233 -17.898 9.349 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.612 -19.280 8.470 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.717 -20.676 9.952 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.050 -20.986 11.558 1.00 0.00 H new ATOM 1240 N TRP A 80 -5.937 -15.386 6.988 1.00 0.00 N ATOM 1241 CA TRP A 80 -4.844 -14.449 6.757 1.00 0.00 C ATOM 1242 C TRP A 80 -5.285 -13.018 7.044 1.00 0.00 C ATOM 1243 O TRP A 80 -6.415 -12.635 6.741 1.00 0.00 O ATOM 1244 CB TRP A 80 -4.343 -14.562 5.316 1.00 0.00 C ATOM 1245 CG TRP A 80 -5.248 -13.905 4.319 1.00 0.00 C ATOM 1246 CD1 TRP A 80 -5.144 -12.634 3.831 1.00 0.00 C ATOM 1247 CD2 TRP A 80 -6.396 -14.486 3.690 1.00 0.00 C ATOM 1248 NE1 TRP A 80 -6.158 -12.389 2.936 1.00 0.00 N ATOM 1249 CE2 TRP A 80 -6.939 -13.510 2.832 1.00 0.00 C ATOM 1250 CE3 TRP A 80 -7.017 -15.735 3.767 1.00 0.00 C ATOM 1251 CZ2 TRP A 80 -8.073 -13.746 2.059 1.00 0.00 C ATOM 1252 CZ3 TRP A 80 -8.142 -15.969 3.000 1.00 0.00 C ATOM 1253 CH2 TRP A 80 -8.660 -14.979 2.154 1.00 0.00 C ATOM 0 H TRP A 80 -6.867 -14.971 6.933 1.00 0.00 H new ATOM 0 HA TRP A 80 -4.031 -14.703 7.437 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.352 -14.113 5.247 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -4.234 -15.616 5.058 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -4.378 -11.925 4.108 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.305 -11.515 2.431 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.624 -16.505 4.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.475 -12.984 1.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.630 -16.931 3.053 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.540 -15.193 1.565 1.00 0.00 H new ATOM 1264 N GLU A 81 -4.386 -12.232 7.628 1.00 0.00 N ATOM 1265 CA GLU A 81 -4.685 -10.843 7.956 1.00 0.00 C ATOM 1266 C GLU A 81 -4.119 -9.900 6.897 1.00 0.00 C ATOM 1267 O GLU A 81 -3.008 -10.097 6.407 1.00 0.00 O ATOM 1268 CB GLU A 81 -4.114 -10.485 9.330 1.00 0.00 C ATOM 1269 CG GLU A 81 -4.954 -10.995 10.489 1.00 0.00 C ATOM 1270 CD GLU A 81 -4.393 -10.589 11.838 1.00 0.00 C ATOM 1271 OE1 GLU A 81 -3.620 -9.609 11.888 1.00 0.00 O ATOM 1272 OE2 GLU A 81 -4.727 -11.250 12.843 1.00 0.00 O ATOM 0 H GLU A 81 -3.446 -12.533 7.883 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.769 -10.728 7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.107 -10.895 9.414 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.025 -9.401 9.406 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.970 -10.613 10.392 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.016 -12.082 10.437 1.00 0.00 H new ATOM 1279 N MET A 82 -4.894 -8.877 6.549 1.00 0.00 N ATOM 1280 CA MET A 82 -4.470 -7.904 5.550 1.00 0.00 C ATOM 1281 C MET A 82 -4.362 -6.510 6.159 1.00 0.00 C ATOM 1282 O MET A 82 -5.371 -5.883 6.477 1.00 0.00 O ATOM 1283 CB MET A 82 -5.452 -7.886 4.377 1.00 0.00 C ATOM 1284 CG MET A 82 -5.142 -8.922 3.308 1.00 0.00 C ATOM 1285 SD MET A 82 -6.360 -8.934 1.979 1.00 0.00 S ATOM 1286 CE MET A 82 -5.927 -7.429 1.109 1.00 0.00 C ATOM 0 H MET A 82 -5.818 -8.701 6.944 1.00 0.00 H new ATOM 0 HA MET A 82 -3.486 -8.199 5.187 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.460 -8.057 4.755 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.445 -6.895 3.923 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.155 -8.723 2.890 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.100 -9.910 3.766 1.00 0.00 H new ATOM 0 HE1 MET A 82 -6.522 -7.351 0.199 1.00 0.00 H new ATOM 0 HE2 MET A 82 -6.127 -6.569 1.748 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.868 -7.450 0.850 1.00 0.00 H new ATOM 1296 N GLU A 83 -3.131 -6.033 6.320 1.00 0.00 N ATOM 1297 CA GLU A 83 -2.893 -4.714 6.893 1.00 0.00 C ATOM 1298 C GLU A 83 -2.564 -3.698 5.802 1.00 0.00 C ATOM 1299 O GLU A 83 -1.762 -3.968 4.908 1.00 0.00 O ATOM 1300 CB GLU A 83 -1.752 -4.773 7.910 1.00 0.00 C ATOM 1301 CG GLU A 83 -1.772 -3.634 8.915 1.00 0.00 C ATOM 1302 CD GLU A 83 -1.193 -2.350 8.352 1.00 0.00 C ATOM 1303 OE1 GLU A 83 -0.209 -2.429 7.587 1.00 0.00 O ATOM 1304 OE2 GLU A 83 -1.724 -1.267 8.677 1.00 0.00 O ATOM 0 H GLU A 83 -2.285 -6.540 6.062 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.805 -4.396 7.399 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.804 -5.720 8.446 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.801 -4.760 7.377 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.798 -3.455 9.236 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.207 -3.926 9.800 1.00 0.00 H new ATOM 1311 N VAL A 84 -3.190 -2.528 5.882 1.00 0.00 N ATOM 1312 CA VAL A 84 -2.964 -1.471 4.904 1.00 0.00 C ATOM 1313 C VAL A 84 -1.967 -0.443 5.426 1.00 0.00 C ATOM 1314 O VAL A 84 -2.200 0.197 6.452 1.00 0.00 O ATOM 1315 CB VAL A 84 -4.278 -0.757 4.536 1.00 0.00 C ATOM 1316 CG1 VAL A 84 -4.049 0.233 3.404 1.00 0.00 C ATOM 1317 CG2 VAL A 84 -5.348 -1.770 4.161 1.00 0.00 C ATOM 0 H VAL A 84 -3.858 -2.288 6.615 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.556 -1.947 4.012 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.626 -0.202 5.407 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.988 0.728 3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.317 0.978 3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.677 -0.297 2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.269 -1.248 3.904 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.011 -2.355 3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.531 -2.435 5.005 1.00 0.00 H new ATOM 1327 N CYS A 85 -0.857 -0.288 4.713 1.00 0.00 N ATOM 1328 CA CYS A 85 0.177 0.663 5.105 1.00 0.00 C ATOM 1329 C CYS A 85 0.931 1.179 3.884 1.00 0.00 C ATOM 1330 O CYS A 85 0.958 0.532 2.837 1.00 0.00 O ATOM 1331 CB CYS A 85 1.154 0.013 6.085 1.00 0.00 C ATOM 1332 SG CYS A 85 2.258 1.181 6.912 1.00 0.00 S ATOM 0 H CYS A 85 -0.650 -0.809 3.861 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.308 1.507 5.595 1.00 0.00 H new ATOM 0 HB2 CYS A 85 0.586 -0.531 6.840 1.00 0.00 H new ATOM 0 HB3 CYS A 85 1.755 -0.721 5.549 1.00 0.00 H new ATOM 0 HG CYS A 85 3.044 0.536 7.722 1.00 0.00 H new ATOM 1466 N ASN A 93 0.915 1.893 -1.455 1.00 0.00 N ATOM 1467 CA ASN A 93 0.256 1.055 -0.460 1.00 0.00 C ATOM 1468 C ASN A 93 0.684 -0.402 -0.605 1.00 0.00 C ATOM 1469 O ASN A 93 0.256 -1.097 -1.526 1.00 0.00 O ATOM 1470 CB ASN A 93 -1.264 1.168 -0.593 1.00 0.00 C ATOM 1471 CG ASN A 93 -1.795 0.415 -1.798 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -2.863 -0.195 -1.741 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -1.050 0.456 -2.897 1.00 0.00 N ATOM 0 HA ASN A 93 0.554 1.406 0.528 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.735 0.781 0.311 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.542 2.219 -0.673 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -1.356 -0.031 -3.739 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -0.171 0.974 -2.899 1.00 0.00 H new ATOM 1480 N GLY A 94 1.532 -0.859 0.312 1.00 0.00 N ATOM 1481 CA GLY A 94 2.004 -2.230 0.268 1.00 0.00 C ATOM 1482 C GLY A 94 1.117 -3.174 1.056 1.00 0.00 C ATOM 1483 O GLY A 94 1.076 -3.118 2.285 1.00 0.00 O ATOM 0 H GLY A 94 1.900 -0.304 1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 94 2.051 -2.562 -0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 94 3.019 -2.275 0.664 1.00 0.00 H new ATOM 1487 N VAL A 95 0.402 -4.042 0.347 1.00 0.00 N ATOM 1488 CA VAL A 95 -0.489 -5.002 0.988 1.00 0.00 C ATOM 1489 C VAL A 95 0.212 -6.336 1.217 1.00 0.00 C ATOM 1490 O VAL A 95 0.417 -7.110 0.282 1.00 0.00 O ATOM 1491 CB VAL A 95 -1.757 -5.239 0.146 1.00 0.00 C ATOM 1492 CG1 VAL A 95 -2.720 -6.160 0.879 1.00 0.00 C ATOM 1493 CG2 VAL A 95 -2.426 -3.915 -0.192 1.00 0.00 C ATOM 0 H VAL A 95 0.422 -4.100 -0.671 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.774 -4.576 1.950 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.468 -5.723 -0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.610 -6.316 0.269 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.236 -7.118 1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.006 -5.707 1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.320 -4.101 -0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.703 -3.402 0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.735 -3.293 -0.760 1.00 0.00 H new ATOM 1503 N ARG A 96 0.578 -6.599 2.467 1.00 0.00 N ATOM 1504 CA ARG A 96 1.258 -7.839 2.819 1.00 0.00 C ATOM 1505 C ARG A 96 0.252 -8.921 3.201 1.00 0.00 C ATOM 1506 O ARG A 96 -0.734 -8.652 3.888 1.00 0.00 O ATOM 1507 CB ARG A 96 2.231 -7.602 3.976 1.00 0.00 C ATOM 1508 CG ARG A 96 3.473 -6.822 3.576 1.00 0.00 C ATOM 1509 CD ARG A 96 4.165 -6.219 4.788 1.00 0.00 C ATOM 1510 NE ARG A 96 5.088 -7.160 5.417 1.00 0.00 N ATOM 1511 CZ ARG A 96 4.716 -8.065 6.315 1.00 0.00 C ATOM 1512 NH1 ARG A 96 3.447 -8.152 6.687 1.00 0.00 N ATOM 1513 NH2 ARG A 96 5.615 -8.887 6.842 1.00 0.00 N ATOM 0 H ARG A 96 0.415 -5.970 3.253 1.00 0.00 H new ATOM 0 HA ARG A 96 1.817 -8.177 1.947 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.714 -7.063 4.770 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.534 -8.565 4.388 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.165 -7.481 3.051 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.198 -6.029 2.880 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.710 -5.324 4.486 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.415 -5.906 5.515 1.00 0.00 H new ATOM 0 HE ARG A 96 6.072 -7.120 5.152 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.753 -7.523 6.283 1.00 0.00 H new ATOM 0 HH12 ARG A 96 3.164 -8.848 7.377 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.592 -8.824 6.557 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.328 -9.582 7.532 1.00 0.00 H new ATOM 1527 N PHE A 97 0.507 -10.145 2.751 1.00 0.00 N ATOM 1528 CA PHE A 97 -0.377 -11.267 3.044 1.00 0.00 C ATOM 1529 C PHE A 97 0.266 -12.218 4.049 1.00 0.00 C ATOM 1530 O PHE A 97 1.235 -12.910 3.735 1.00 0.00 O ATOM 1531 CB PHE A 97 -0.720 -12.022 1.758 1.00 0.00 C ATOM 1532 CG PHE A 97 -1.644 -11.265 0.847 1.00 0.00 C ATOM 1533 CD1 PHE A 97 -1.253 -10.059 0.290 1.00 0.00 C ATOM 1534 CD2 PHE A 97 -2.903 -11.761 0.549 1.00 0.00 C ATOM 1535 CE1 PHE A 97 -2.101 -9.360 -0.549 1.00 0.00 C ATOM 1536 CE2 PHE A 97 -3.754 -11.066 -0.290 1.00 0.00 C ATOM 1537 CZ PHE A 97 -3.353 -9.864 -0.839 1.00 0.00 C ATOM 0 H PHE A 97 1.319 -10.385 2.182 1.00 0.00 H new ATOM 0 HA PHE A 97 -1.294 -10.871 3.481 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.202 -12.248 1.222 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.179 -12.976 2.018 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.275 -9.660 0.513 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.223 -12.700 0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.784 -8.420 -0.977 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.733 -11.463 -0.516 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.017 -9.320 -1.494 1.00 0.00 H new ATOM 1547 N LYS A 98 -0.280 -12.247 5.260 1.00 0.00 N ATOM 1548 CA LYS A 98 0.238 -13.112 6.313 1.00 0.00 C ATOM 1549 C LYS A 98 -0.651 -14.338 6.497 1.00 0.00 C ATOM 1550 O LYS A 98 -1.834 -14.215 6.815 1.00 0.00 O ATOM 1551 CB LYS A 98 0.341 -12.341 7.631 1.00 0.00 C ATOM 1552 CG LYS A 98 0.969 -13.143 8.758 1.00 0.00 C ATOM 1553 CD LYS A 98 0.804 -12.446 10.098 1.00 0.00 C ATOM 1554 CE LYS A 98 -0.545 -12.759 10.727 1.00 0.00 C ATOM 1555 NZ LYS A 98 -0.664 -12.188 12.097 1.00 0.00 N ATOM 0 H LYS A 98 -1.082 -11.681 5.537 1.00 0.00 H new ATOM 0 HA LYS A 98 1.232 -13.447 6.017 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.928 -11.437 7.468 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.656 -12.023 7.935 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.511 -14.131 8.802 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.029 -13.292 8.553 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.602 -12.758 10.772 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.903 -11.369 9.964 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.341 -12.361 10.097 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.684 -13.839 10.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.597 -12.423 12.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.079 -12.587 12.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.557 -11.154 12.053 1.00 0.00 H new ATOM 1569 N ARG A 99 -0.074 -15.518 6.297 1.00 0.00 N ATOM 1570 CA ARG A 99 -0.815 -16.765 6.441 1.00 0.00 C ATOM 1571 C ARG A 99 -0.862 -17.204 7.901 1.00 0.00 C ATOM 1572 O ARG A 99 0.120 -17.717 8.438 1.00 0.00 O ATOM 1573 CB ARG A 99 -0.177 -17.863 5.588 1.00 0.00 C ATOM 1574 CG ARG A 99 -0.679 -19.259 5.918 1.00 0.00 C ATOM 1575 CD ARG A 99 0.207 -20.330 5.301 1.00 0.00 C ATOM 1576 NE ARG A 99 1.384 -20.606 6.120 1.00 0.00 N ATOM 1577 CZ ARG A 99 2.477 -21.203 5.659 1.00 0.00 C ATOM 1578 NH1 ARG A 99 2.543 -21.586 4.391 1.00 0.00 N ATOM 1579 NH2 ARG A 99 3.508 -21.419 6.467 1.00 0.00 N ATOM 0 H ARG A 99 0.905 -15.637 6.035 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.835 -16.594 6.098 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.373 -17.655 4.536 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.904 -17.834 5.722 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -0.710 -19.389 7.000 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.700 -19.375 5.554 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.368 -21.247 5.173 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.523 -20.011 4.308 1.00 0.00 H new ATOM 0 HE ARG A 99 1.366 -20.325 7.100 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.753 -21.422 3.767 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.384 -22.044 4.040 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.461 -21.126 7.443 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.347 -21.878 6.112 1.00 0.00 H new ATOM 1593 N ILE A 100 -2.010 -16.997 8.539 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.185 -17.372 9.936 1.00 0.00 C ATOM 1595 C ILE A 100 -2.297 -18.885 10.090 1.00 0.00 C ATOM 1596 O ILE A 100 -1.617 -19.486 10.922 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.437 -16.711 10.544 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.317 -15.187 10.480 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -3.635 -17.173 11.980 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -4.431 -14.463 11.205 1.00 0.00 C ATOM 0 H ILE A 100 -2.832 -16.572 8.110 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.302 -17.020 10.470 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.308 -17.013 9.963 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.361 -14.887 10.908 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.310 -14.874 9.436 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.523 -16.698 12.396 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.760 -18.256 12.000 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.764 -16.897 12.574 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.282 -13.387 11.118 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.389 -14.734 10.762 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.425 -14.747 12.257 1.00 0.00 H new ATOM 1612 N SER A 101 -3.158 -19.494 9.282 1.00 0.00 N ATOM 1613 CA SER A 101 -3.361 -20.937 9.329 1.00 0.00 C ATOM 1614 C SER A 101 -3.815 -21.467 7.972 1.00 0.00 C ATOM 1615 O SER A 101 -4.094 -20.696 7.054 1.00 0.00 O ATOM 1616 CB SER A 101 -4.393 -21.294 10.400 1.00 0.00 C ATOM 1617 OG SER A 101 -4.159 -22.590 10.923 1.00 0.00 O ATOM 0 H SER A 101 -3.727 -19.011 8.587 1.00 0.00 H new ATOM 0 HA SER A 101 -2.409 -21.404 9.582 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.354 -20.561 11.206 1.00 0.00 H new ATOM 0 HB3 SER A 101 -5.395 -21.246 9.974 1.00 0.00 H new ATOM 0 HG SER A 101 -4.831 -22.793 11.607 1.00 0.00 H new ATOM 1623 N GLY A 102 -3.888 -22.789 7.854 1.00 0.00 N ATOM 1624 CA GLY A 102 -4.308 -23.400 6.607 1.00 0.00 C ATOM 1625 C GLY A 102 -3.157 -24.041 5.857 1.00 0.00 C ATOM 1626 O GLY A 102 -2.314 -24.712 6.454 1.00 0.00 O ATOM 0 H GLY A 102 -3.664 -23.448 8.600 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.067 -24.154 6.814 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.773 -22.644 5.974 1.00 0.00 H new ATOM 1630 N THR A 103 -3.120 -23.836 4.544 1.00 0.00 N ATOM 1631 CA THR A 103 -2.066 -24.401 3.712 1.00 0.00 C ATOM 1632 C THR A 103 -1.502 -23.357 2.755 1.00 0.00 C ATOM 1633 O THR A 103 -2.189 -22.405 2.384 1.00 0.00 O ATOM 1634 CB THR A 103 -2.577 -25.604 2.897 1.00 0.00 C ATOM 1635 OG1 THR A 103 -3.812 -25.271 2.254 1.00 0.00 O ATOM 1636 CG2 THR A 103 -2.777 -26.818 3.791 1.00 0.00 C ATOM 0 H THR A 103 -3.809 -23.282 4.034 1.00 0.00 H new ATOM 0 HA THR A 103 -1.278 -24.737 4.386 1.00 0.00 H new ATOM 0 HB THR A 103 -1.829 -25.847 2.143 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.129 -26.040 1.737 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.138 -27.655 3.193 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.829 -27.087 4.256 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.508 -26.583 4.565 1.00 0.00 H new ATOM 1644 N SER A 104 -0.247 -23.540 2.359 1.00 0.00 N ATOM 1645 CA SER A 104 0.411 -22.612 1.447 1.00 0.00 C ATOM 1646 C SER A 104 -0.277 -22.607 0.086 1.00 0.00 C ATOM 1647 O SER A 104 -0.726 -21.565 -0.392 1.00 0.00 O ATOM 1648 CB SER A 104 1.886 -22.982 1.284 1.00 0.00 C ATOM 1649 OG SER A 104 2.080 -24.379 1.429 1.00 0.00 O ATOM 0 H SER A 104 0.335 -24.323 2.656 1.00 0.00 H new ATOM 0 HA SER A 104 0.340 -21.612 1.874 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.238 -22.663 0.303 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.482 -22.450 2.026 1.00 0.00 H new ATOM 0 HG SER A 104 3.031 -24.590 1.319 1.00 0.00 H new ATOM 1655 N ILE A 105 -0.357 -23.780 -0.533 1.00 0.00 N ATOM 1656 CA ILE A 105 -0.991 -23.913 -1.839 1.00 0.00 C ATOM 1657 C ILE A 105 -2.218 -23.014 -1.948 1.00 0.00 C ATOM 1658 O ILE A 105 -2.223 -22.042 -2.702 1.00 0.00 O ATOM 1659 CB ILE A 105 -1.410 -25.369 -2.116 1.00 0.00 C ATOM 1660 CG1 ILE A 105 -0.183 -26.220 -2.450 1.00 0.00 C ATOM 1661 CG2 ILE A 105 -2.422 -25.422 -3.250 1.00 0.00 C ATOM 1662 CD1 ILE A 105 0.644 -25.668 -3.590 1.00 0.00 C ATOM 0 H ILE A 105 0.009 -24.652 -0.151 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.253 -23.609 -2.581 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.877 -25.774 -1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.445 -26.301 -1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.509 -27.229 -2.704 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.708 -26.457 -3.434 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.305 -24.844 -2.977 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.979 -25.002 -4.153 1.00 0.00 H new ATOM 0 HD11 ILE A 105 1.497 -26.322 -3.771 1.00 0.00 H new ATOM 0 HD12 ILE A 105 0.032 -25.612 -4.490 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.000 -24.671 -3.332 1.00 0.00 H new ATOM 1674 N ALA A 106 -3.257 -23.345 -1.188 1.00 0.00 N ATOM 1675 CA ALA A 106 -4.489 -22.566 -1.196 1.00 0.00 C ATOM 1676 C ALA A 106 -4.221 -21.112 -0.822 1.00 0.00 C ATOM 1677 O ALA A 106 -4.838 -20.197 -1.367 1.00 0.00 O ATOM 1678 CB ALA A 106 -5.507 -23.178 -0.245 1.00 0.00 C ATOM 0 H ALA A 106 -3.270 -24.148 -0.559 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.895 -22.585 -2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.422 -22.586 -0.261 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.729 -24.198 -0.558 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -5.100 -23.189 0.766 1.00 0.00 H new ATOM 1684 N PHE A 107 -3.297 -20.906 0.110 1.00 0.00 N ATOM 1685 CA PHE A 107 -2.948 -19.563 0.558 1.00 0.00 C ATOM 1686 C PHE A 107 -2.493 -18.700 -0.615 1.00 0.00 C ATOM 1687 O PHE A 107 -2.810 -17.512 -0.688 1.00 0.00 O ATOM 1688 CB PHE A 107 -1.847 -19.625 1.618 1.00 0.00 C ATOM 1689 CG PHE A 107 -1.426 -18.276 2.126 1.00 0.00 C ATOM 1690 CD1 PHE A 107 -2.276 -17.523 2.920 1.00 0.00 C ATOM 1691 CD2 PHE A 107 -0.180 -17.759 1.808 1.00 0.00 C ATOM 1692 CE1 PHE A 107 -1.892 -16.281 3.389 1.00 0.00 C ATOM 1693 CE2 PHE A 107 0.210 -16.518 2.274 1.00 0.00 C ATOM 1694 CZ PHE A 107 -0.647 -15.778 3.065 1.00 0.00 C ATOM 0 H PHE A 107 -2.776 -21.652 0.570 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.838 -19.111 0.996 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.195 -20.228 2.457 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.979 -20.134 1.199 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.251 -17.912 3.176 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.494 -18.333 1.189 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.564 -15.705 4.008 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.184 -16.127 2.020 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.344 -14.808 3.430 1.00 0.00 H new ATOM 1704 N LYS A 108 -1.745 -19.305 -1.531 1.00 0.00 N ATOM 1705 CA LYS A 108 -1.244 -18.594 -2.702 1.00 0.00 C ATOM 1706 C LYS A 108 -2.294 -18.561 -3.808 1.00 0.00 C ATOM 1707 O LYS A 108 -2.748 -17.492 -4.214 1.00 0.00 O ATOM 1708 CB LYS A 108 0.035 -19.257 -3.218 1.00 0.00 C ATOM 1709 CG LYS A 108 1.255 -18.977 -2.357 1.00 0.00 C ATOM 1710 CD LYS A 108 2.381 -19.954 -2.651 1.00 0.00 C ATOM 1711 CE LYS A 108 2.300 -21.183 -1.759 1.00 0.00 C ATOM 1712 NZ LYS A 108 3.619 -21.862 -1.630 1.00 0.00 N ATOM 0 H LYS A 108 -1.472 -20.287 -1.485 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.021 -17.569 -2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.121 -20.334 -3.273 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.230 -18.911 -4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 108 1.600 -17.958 -2.534 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.981 -19.042 -1.304 1.00 0.00 H new ATOM 0 HD2 LYS A 108 2.336 -20.259 -3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.341 -19.459 -2.504 1.00 0.00 H new ATOM 0 HE2 LYS A 108 1.943 -20.892 -0.771 1.00 0.00 H new ATOM 0 HE3 LYS A 108 1.570 -21.882 -2.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.472 -22.876 -1.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 4.159 -21.742 -2.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 4.149 -21.444 -0.839 1.00 0.00 H new ATOM 1726 N ASN A 109 -2.676 -19.740 -4.290 1.00 0.00 N ATOM 1727 CA ASN A 109 -3.674 -19.845 -5.349 1.00 0.00 C ATOM 1728 C ASN A 109 -4.759 -18.786 -5.181 1.00 0.00 C ATOM 1729 O ASN A 109 -5.266 -18.241 -6.162 1.00 0.00 O ATOM 1730 CB ASN A 109 -4.302 -21.240 -5.350 1.00 0.00 C ATOM 1731 CG ASN A 109 -3.435 -22.264 -6.058 1.00 0.00 C ATOM 1732 OD1 ASN A 109 -3.590 -22.503 -7.255 1.00 0.00 O ATOM 1733 ND2 ASN A 109 -2.517 -22.874 -5.317 1.00 0.00 N ATOM 0 H ASN A 109 -2.310 -20.635 -3.965 1.00 0.00 H new ATOM 0 HA ASN A 109 -3.174 -19.679 -6.303 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.471 -21.560 -4.322 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.277 -21.196 -5.835 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -1.904 -23.573 -5.737 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -2.425 -22.644 -4.328 1.00 0.00 H new ATOM 1740 N ILE A 110 -5.111 -18.501 -3.932 1.00 0.00 N ATOM 1741 CA ILE A 110 -6.135 -17.506 -3.636 1.00 0.00 C ATOM 1742 C ILE A 110 -5.544 -16.101 -3.603 1.00 0.00 C ATOM 1743 O ILE A 110 -6.179 -15.139 -4.034 1.00 0.00 O ATOM 1744 CB ILE A 110 -6.824 -17.792 -2.288 1.00 0.00 C ATOM 1745 CG1 ILE A 110 -7.975 -16.811 -2.061 1.00 0.00 C ATOM 1746 CG2 ILE A 110 -5.817 -17.709 -1.150 1.00 0.00 C ATOM 1747 CD1 ILE A 110 -9.088 -16.939 -3.077 1.00 0.00 C ATOM 0 H ILE A 110 -4.703 -18.944 -3.109 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.875 -17.568 -4.434 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.232 -18.802 -2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.385 -16.969 -1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -7.585 -15.794 -2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.319 -17.913 -0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.028 -18.444 -1.308 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.382 -16.710 -1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -9.870 -16.213 -2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -8.693 -16.751 -4.075 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.505 -17.945 -3.035 1.00 0.00 H new ATOM 1759 N ALA A 111 -4.322 -15.991 -3.092 1.00 0.00 N ATOM 1760 CA ALA A 111 -3.643 -14.704 -3.008 1.00 0.00 C ATOM 1761 C ALA A 111 -3.443 -14.097 -4.392 1.00 0.00 C ATOM 1762 O ALA A 111 -3.433 -12.876 -4.550 1.00 0.00 O ATOM 1763 CB ALA A 111 -2.305 -14.858 -2.299 1.00 0.00 C ATOM 0 H ALA A 111 -3.782 -16.777 -2.730 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.272 -14.027 -2.430 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -1.809 -13.889 -2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.469 -15.240 -1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -1.677 -15.556 -2.854 1.00 0.00 H new ATOM 1769 N SER A 112 -3.282 -14.957 -5.393 1.00 0.00 N ATOM 1770 CA SER A 112 -3.077 -14.504 -6.764 1.00 0.00 C ATOM 1771 C SER A 112 -4.365 -13.929 -7.344 1.00 0.00 C ATOM 1772 O SER A 112 -4.337 -12.982 -8.131 1.00 0.00 O ATOM 1773 CB SER A 112 -2.583 -15.660 -7.636 1.00 0.00 C ATOM 1774 OG SER A 112 -2.032 -15.183 -8.851 1.00 0.00 O ATOM 0 H SER A 112 -3.290 -15.971 -5.280 1.00 0.00 H new ATOM 0 HA SER A 112 -2.322 -13.718 -6.752 1.00 0.00 H new ATOM 0 HB2 SER A 112 -1.832 -16.234 -7.093 1.00 0.00 H new ATOM 0 HB3 SER A 112 -3.410 -16.338 -7.849 1.00 0.00 H new ATOM 0 HG SER A 112 -1.722 -15.941 -9.390 1.00 0.00 H new ATOM 1780 N LYS A 113 -5.495 -14.507 -6.950 1.00 0.00 N ATOM 1781 CA LYS A 113 -6.795 -14.053 -7.428 1.00 0.00 C ATOM 1782 C LYS A 113 -7.123 -12.668 -6.881 1.00 0.00 C ATOM 1783 O LYS A 113 -7.286 -11.713 -7.641 1.00 0.00 O ATOM 1784 CB LYS A 113 -7.886 -15.046 -7.021 1.00 0.00 C ATOM 1785 CG LYS A 113 -7.530 -16.494 -7.309 1.00 0.00 C ATOM 1786 CD LYS A 113 -7.983 -16.913 -8.697 1.00 0.00 C ATOM 1787 CE LYS A 113 -6.924 -16.607 -9.746 1.00 0.00 C ATOM 1788 NZ LYS A 113 -5.985 -17.747 -9.934 1.00 0.00 N ATOM 0 H LYS A 113 -5.536 -15.292 -6.300 1.00 0.00 H new ATOM 0 HA LYS A 113 -6.754 -13.994 -8.516 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -8.087 -14.935 -5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -8.807 -14.796 -7.547 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -6.452 -16.629 -7.221 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -7.994 -17.139 -6.563 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -8.204 -17.980 -8.702 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -8.908 -16.395 -8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -7.409 -16.375 -10.694 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -6.364 -15.720 -9.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -5.279 -17.500 -10.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -5.504 -17.952 -9.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -6.516 -18.587 -10.242 1.00 0.00 H new ATOM 1802 N ILE A 114 -7.215 -12.566 -5.559 1.00 0.00 N ATOM 1803 CA ILE A 114 -7.520 -11.296 -4.911 1.00 0.00 C ATOM 1804 C ILE A 114 -6.836 -10.136 -5.626 1.00 0.00 C ATOM 1805 O ILE A 114 -7.446 -9.094 -5.863 1.00 0.00 O ATOM 1806 CB ILE A 114 -7.088 -11.301 -3.433 1.00 0.00 C ATOM 1807 CG1 ILE A 114 -7.834 -12.393 -2.664 1.00 0.00 C ATOM 1808 CG2 ILE A 114 -7.338 -9.938 -2.804 1.00 0.00 C ATOM 1809 CD1 ILE A 114 -9.336 -12.209 -2.658 1.00 0.00 C ATOM 0 H ILE A 114 -7.083 -13.347 -4.916 1.00 0.00 H new ATOM 0 HA ILE A 114 -8.601 -11.165 -4.965 1.00 0.00 H new ATOM 0 HB ILE A 114 -6.020 -11.513 -3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.596 -13.362 -3.103 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -7.474 -12.412 -1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -7.028 -9.957 -1.759 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.766 -9.180 -3.339 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.400 -9.699 -2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -9.800 -13.019 -2.095 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.584 -11.255 -2.192 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.708 -12.220 -3.682 1.00 0.00 H new ATOM 1821 N ALA A 115 -5.566 -10.325 -5.967 1.00 0.00 N ATOM 1822 CA ALA A 115 -4.799 -9.295 -6.659 1.00 0.00 C ATOM 1823 C ALA A 115 -5.461 -8.911 -7.978 1.00 0.00 C ATOM 1824 O ALA A 115 -5.669 -7.732 -8.258 1.00 0.00 O ATOM 1825 CB ALA A 115 -3.374 -9.771 -6.899 1.00 0.00 C ATOM 0 H ALA A 115 -5.046 -11.181 -5.776 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.772 -8.409 -6.025 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -2.813 -8.993 -7.416 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.897 -9.988 -5.943 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.390 -10.674 -7.510 1.00 0.00 H new ATOM 1831 N ASN A 116 -5.788 -9.915 -8.785 1.00 0.00 N ATOM 1832 CA ASN A 116 -6.425 -9.682 -10.076 1.00 0.00 C ATOM 1833 C ASN A 116 -7.600 -8.719 -9.936 1.00 0.00 C ATOM 1834 O ASN A 116 -7.712 -7.749 -10.686 1.00 0.00 O ATOM 1835 CB ASN A 116 -6.904 -11.004 -10.678 1.00 0.00 C ATOM 1836 CG ASN A 116 -8.378 -11.255 -10.424 1.00 0.00 C ATOM 1837 OD1 ASN A 116 -9.229 -10.448 -10.797 1.00 0.00 O ATOM 1838 ND2 ASN A 116 -8.685 -12.379 -9.787 1.00 0.00 N ATOM 0 H ASN A 116 -5.622 -10.898 -8.568 1.00 0.00 H new ATOM 0 HA ASN A 116 -5.687 -9.234 -10.742 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.719 -10.999 -11.752 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -6.321 -11.824 -10.258 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -9.660 -12.603 -9.588 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -7.946 -13.019 -9.496 1.00 0.00 H new ATOM 1845 N GLU A 117 -8.472 -8.993 -8.971 1.00 0.00 N ATOM 1846 CA GLU A 117 -9.638 -8.151 -8.734 1.00 0.00 C ATOM 1847 C GLU A 117 -9.218 -6.736 -8.347 1.00 0.00 C ATOM 1848 O GLU A 117 -9.750 -5.754 -8.866 1.00 0.00 O ATOM 1849 CB GLU A 117 -10.515 -8.753 -7.634 1.00 0.00 C ATOM 1850 CG GLU A 117 -10.899 -10.201 -7.887 1.00 0.00 C ATOM 1851 CD GLU A 117 -11.345 -10.446 -9.315 1.00 0.00 C ATOM 1852 OE1 GLU A 117 -11.932 -9.525 -9.920 1.00 0.00 O ATOM 1853 OE2 GLU A 117 -11.106 -11.560 -9.828 1.00 0.00 O ATOM 0 H GLU A 117 -8.393 -9.791 -8.341 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.212 -8.101 -9.659 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -9.987 -8.687 -6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.422 -8.157 -7.537 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.048 -10.843 -7.661 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.702 -10.484 -7.206 1.00 0.00 H new ATOM 1860 N LEU A 118 -8.259 -6.639 -7.432 1.00 0.00 N ATOM 1861 CA LEU A 118 -7.767 -5.345 -6.974 1.00 0.00 C ATOM 1862 C LEU A 118 -6.693 -4.807 -7.915 1.00 0.00 C ATOM 1863 O LEU A 118 -5.820 -4.041 -7.505 1.00 0.00 O ATOM 1864 CB LEU A 118 -7.205 -5.464 -5.556 1.00 0.00 C ATOM 1865 CG LEU A 118 -8.232 -5.444 -4.423 1.00 0.00 C ATOM 1866 CD1 LEU A 118 -7.738 -6.263 -3.241 1.00 0.00 C ATOM 1867 CD2 LEU A 118 -8.527 -4.013 -3.997 1.00 0.00 C ATOM 0 H LEU A 118 -7.807 -7.441 -6.993 1.00 0.00 H new ATOM 0 HA LEU A 118 -8.604 -4.646 -6.970 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.637 -6.392 -5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.501 -4.647 -5.396 1.00 0.00 H new ATOM 0 HG LEU A 118 -9.157 -5.892 -4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.482 -6.237 -2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.578 -7.295 -3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.800 -5.845 -2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.260 -4.017 -3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -7.608 -3.540 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -8.925 -3.456 -4.845 1.00 0.00 H new ATOM 1879 N LYS A 119 -6.765 -5.211 -9.178 1.00 0.00 N ATOM 1880 CA LYS A 119 -5.803 -4.767 -10.180 1.00 0.00 C ATOM 1881 C LYS A 119 -4.410 -4.630 -9.573 1.00 0.00 C ATOM 1882 O LYS A 119 -3.642 -3.744 -9.950 1.00 0.00 O ATOM 1883 CB LYS A 119 -6.242 -3.431 -10.782 1.00 0.00 C ATOM 1884 CG LYS A 119 -7.584 -3.495 -11.492 1.00 0.00 C ATOM 1885 CD LYS A 119 -7.457 -4.128 -12.867 1.00 0.00 C ATOM 1886 CE LYS A 119 -8.746 -3.993 -13.664 1.00 0.00 C ATOM 1887 NZ LYS A 119 -8.766 -4.900 -14.845 1.00 0.00 N ATOM 0 H LYS A 119 -7.480 -5.846 -9.533 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.765 -5.518 -10.969 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.295 -2.685 -9.989 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.483 -3.093 -11.487 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -8.288 -4.069 -10.890 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -7.993 -2.490 -11.590 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.640 -3.656 -13.412 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.202 -5.182 -12.761 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -9.596 -4.217 -13.020 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -8.861 -2.961 -13.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -9.660 -4.778 -15.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -7.969 -4.670 -15.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -8.682 -5.886 -14.527 1.00 0.00 H new ATOM 1901 N LEU A 120 -4.090 -5.512 -8.633 1.00 0.00 N ATOM 1902 CA LEU A 120 -2.789 -5.490 -7.975 1.00 0.00 C ATOM 1903 C LEU A 120 -1.726 -6.153 -8.846 1.00 0.00 C ATOM 1904 O LEU A 120 -2.045 -6.919 -9.756 1.00 0.00 O ATOM 1905 CB LEU A 120 -2.868 -6.198 -6.621 1.00 0.00 C ATOM 1906 CG LEU A 120 -3.736 -5.522 -5.560 1.00 0.00 C ATOM 1907 CD1 LEU A 120 -3.957 -6.452 -4.378 1.00 0.00 C ATOM 1908 CD2 LEU A 120 -3.101 -4.217 -5.103 1.00 0.00 C ATOM 0 H LEU A 120 -4.714 -6.251 -8.309 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.507 -4.449 -7.819 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.247 -7.207 -6.783 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.857 -6.297 -6.226 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.706 -5.295 -6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.577 -5.953 -3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.457 -7.359 -4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.996 -6.712 -3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.733 -3.750 -4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.118 -4.420 -4.679 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -2.997 -3.545 -5.955 1.00 0.00 H new ATOM 1920 N SER A 121 -0.463 -5.854 -8.561 1.00 0.00 N ATOM 1921 CA SER A 121 0.646 -6.420 -9.319 1.00 0.00 C ATOM 1922 C SER A 121 0.344 -7.856 -9.736 1.00 0.00 C ATOM 1923 O SER A 121 0.154 -8.145 -10.917 1.00 0.00 O ATOM 1924 CB SER A 121 1.932 -6.377 -8.491 1.00 0.00 C ATOM 1925 OG SER A 121 3.048 -6.789 -9.261 1.00 0.00 O ATOM 0 H SER A 121 -0.182 -5.223 -7.811 1.00 0.00 H new ATOM 0 HA SER A 121 0.781 -5.820 -10.219 1.00 0.00 H new ATOM 0 HB2 SER A 121 2.096 -5.365 -8.120 1.00 0.00 H new ATOM 0 HB3 SER A 121 1.829 -7.023 -7.619 1.00 0.00 H new ATOM 0 HG SER A 121 3.858 -6.751 -8.710 1.00 0.00 H new ATOM 1931 N GLY A 122 0.300 -8.753 -8.756 1.00 0.00 N ATOM 1932 CA GLY A 122 0.020 -10.149 -9.040 1.00 0.00 C ATOM 1933 C GLY A 122 1.281 -10.957 -9.275 1.00 0.00 C ATOM 1934 O GLY A 122 1.482 -11.537 -10.342 1.00 0.00 O ATOM 0 H GLY A 122 0.453 -8.538 -7.771 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.535 -10.582 -8.208 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.620 -10.216 -9.920 1.00 0.00 H new ATOM 1938 N PRO A 123 2.158 -11.001 -8.261 1.00 0.00 N ATOM 1939 CA PRO A 123 3.422 -11.740 -8.338 1.00 0.00 C ATOM 1940 C PRO A 123 3.210 -13.250 -8.350 1.00 0.00 C ATOM 1941 O PRO A 123 2.242 -13.755 -7.782 1.00 0.00 O ATOM 1942 CB PRO A 123 4.161 -11.313 -7.067 1.00 0.00 C ATOM 1943 CG PRO A 123 3.083 -10.917 -6.118 1.00 0.00 C ATOM 1944 CD PRO A 123 1.983 -10.333 -6.960 1.00 0.00 C ATOM 0 HA PRO A 123 3.966 -11.522 -9.257 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.762 -12.129 -6.665 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.840 -10.483 -7.264 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.726 -11.777 -5.552 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.449 -10.189 -5.394 1.00 0.00 H new ATOM 0 HD2 PRO A 123 1.000 -10.535 -6.534 1.00 0.00 H new ATOM 0 HD3 PRO A 123 2.076 -9.251 -7.048 1.00 0.00 H new