USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=18 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 34:sc= 0.85 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -0.376 K(o=0.47,f=1.3) USER MOD Set 2.1: A 42 MET CE :methyl -115:sc= -3.16 (180deg=0) USER MOD Set 2.2: A 93 ASN : amide:sc= -9.26! C(o=-12!,f=-15!) USER MOD Single : A 29 ASN : amide:sc= -0.379 K(o=-0.38,f=-3.9!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -56:sc= 0.00729 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0136 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 172:sc= -0.756 (180deg=-0.797) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.85! K(o=-1.9!,f=-1.1) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0883 K(o=-0.088,f=-0.86) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.405 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 76 ASN : amide:sc= -1.48 K(o=-1.5,f=-0.44) USER MOD Single : A 79 GLN : amide:sc= -0.0564 K(o=-0.056,f=-0.95) USER MOD Single : A 82 MET CE :methyl -111:sc= -3.51! (180deg=-5.37!) USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -167:sc=-0.00104 (180deg=-0.0946) 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= 0.0689 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= -2.57! K(o=-2.6!,f=-1) 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= -6.83! C(o=-6.8!,f=-9.9!) 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 4.962 -14.946 2.828 1.00 0.00 N ATOM 458 CA ASN A 29 4.116 -13.761 2.760 1.00 0.00 C ATOM 459 C ASN A 29 4.051 -13.220 1.335 1.00 0.00 C ATOM 460 O ASN A 29 5.076 -13.070 0.668 1.00 0.00 O ATOM 461 CB ASN A 29 4.642 -12.678 3.705 1.00 0.00 C ATOM 462 CG ASN A 29 4.315 -12.969 5.156 1.00 0.00 C ATOM 463 OD1 ASN A 29 3.479 -12.299 5.763 1.00 0.00 O ATOM 464 ND2 ASN A 29 4.976 -13.974 5.721 1.00 0.00 N ATOM 0 HA ASN A 29 3.110 -14.045 3.068 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.722 -12.592 3.589 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.214 -11.716 3.425 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.799 -14.217 6.696 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.660 -14.502 5.180 1.00 0.00 H new ATOM 471 N LEU A 30 2.840 -12.928 0.874 1.00 0.00 N ATOM 472 CA LEU A 30 2.640 -12.402 -0.473 1.00 0.00 C ATOM 473 C LEU A 30 2.446 -10.890 -0.444 1.00 0.00 C ATOM 474 O LEU A 30 1.628 -10.373 0.317 1.00 0.00 O ATOM 475 CB LEU A 30 1.429 -13.070 -1.127 1.00 0.00 C ATOM 476 CG LEU A 30 1.718 -14.332 -1.942 1.00 0.00 C ATOM 477 CD1 LEU A 30 2.554 -13.996 -3.167 1.00 0.00 C ATOM 478 CD2 LEU A 30 2.421 -15.372 -1.083 1.00 0.00 C ATOM 0 H LEU A 30 1.982 -13.046 1.412 1.00 0.00 H new ATOM 0 HA LEU A 30 3.532 -12.624 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.712 -13.322 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.946 -12.343 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 30 0.769 -14.750 -2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.750 -14.906 -3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.013 -13.287 -3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.499 -13.554 -2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.619 -16.263 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.363 -14.964 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.786 -15.635 -0.237 1.00 0.00 H new ATOM 490 N TYR A 31 3.203 -10.186 -1.278 1.00 0.00 N ATOM 491 CA TYR A 31 3.115 -8.732 -1.348 1.00 0.00 C ATOM 492 C TYR A 31 2.480 -8.287 -2.662 1.00 0.00 C ATOM 493 O TYR A 31 2.801 -8.811 -3.729 1.00 0.00 O ATOM 494 CB TYR A 31 4.505 -8.109 -1.203 1.00 0.00 C ATOM 495 CG TYR A 31 5.397 -8.839 -0.225 1.00 0.00 C ATOM 496 CD1 TYR A 31 4.923 -9.224 1.023 1.00 0.00 C ATOM 497 CD2 TYR A 31 6.713 -9.143 -0.548 1.00 0.00 C ATOM 498 CE1 TYR A 31 5.735 -9.890 1.921 1.00 0.00 C ATOM 499 CE2 TYR A 31 7.532 -9.810 0.342 1.00 0.00 C ATOM 500 CZ TYR A 31 7.038 -10.182 1.575 1.00 0.00 C ATOM 501 OH TYR A 31 7.851 -10.846 2.466 1.00 0.00 O ATOM 0 H TYR A 31 3.884 -10.598 -1.915 1.00 0.00 H new ATOM 0 HA TYR A 31 2.484 -8.391 -0.527 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.989 -8.091 -2.179 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.398 -7.073 -0.881 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.903 -8.999 1.296 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.103 -8.853 -1.512 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.352 -10.180 2.888 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.553 -10.039 0.074 1.00 0.00 H new ATOM 0 HH TYR A 31 8.737 -10.975 2.067 1.00 0.00 H new ATOM 511 N PHE A 32 1.577 -7.316 -2.576 1.00 0.00 N ATOM 512 CA PHE A 32 0.896 -6.799 -3.757 1.00 0.00 C ATOM 513 C PHE A 32 0.897 -5.273 -3.762 1.00 0.00 C ATOM 514 O PHE A 32 1.091 -4.640 -2.724 1.00 0.00 O ATOM 515 CB PHE A 32 -0.542 -7.320 -3.811 1.00 0.00 C ATOM 516 CG PHE A 32 -0.643 -8.815 -3.706 1.00 0.00 C ATOM 517 CD1 PHE A 32 -0.253 -9.624 -4.760 1.00 0.00 C ATOM 518 CD2 PHE A 32 -1.126 -9.410 -2.552 1.00 0.00 C ATOM 519 CE1 PHE A 32 -0.346 -11.000 -4.666 1.00 0.00 C ATOM 520 CE2 PHE A 32 -1.220 -10.785 -2.451 1.00 0.00 C ATOM 521 CZ PHE A 32 -0.829 -11.581 -3.510 1.00 0.00 C ATOM 0 H PHE A 32 1.300 -6.871 -1.701 1.00 0.00 H new ATOM 0 HA PHE A 32 1.435 -7.147 -4.638 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.114 -6.868 -3.001 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.002 -6.998 -4.745 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.128 -9.175 -5.665 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.433 -8.792 -1.721 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.041 -11.620 -5.496 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.598 -11.236 -1.546 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.901 -12.656 -3.434 1.00 0.00 H new ATOM 531 N GLN A 33 0.679 -4.691 -4.936 1.00 0.00 N ATOM 532 CA GLN A 33 0.656 -3.240 -5.076 1.00 0.00 C ATOM 533 C GLN A 33 -0.423 -2.805 -6.063 1.00 0.00 C ATOM 534 O GLN A 33 -0.713 -3.508 -7.030 1.00 0.00 O ATOM 535 CB GLN A 33 2.022 -2.729 -5.538 1.00 0.00 C ATOM 536 CG GLN A 33 3.152 -3.058 -4.575 1.00 0.00 C ATOM 537 CD GLN A 33 4.407 -2.255 -4.853 1.00 0.00 C ATOM 538 OE1 GLN A 33 4.504 -1.563 -5.867 1.00 0.00 O ATOM 539 NE2 GLN A 33 5.378 -2.344 -3.952 1.00 0.00 N ATOM 0 H GLN A 33 0.516 -5.201 -5.804 1.00 0.00 H new ATOM 0 HA GLN A 33 0.426 -2.810 -4.101 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.250 -3.158 -6.513 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.971 -1.648 -5.670 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.822 -2.867 -3.554 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.383 -4.121 -4.641 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.255 -2.930 -3.126 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.247 -1.827 -4.086 1.00 0.00 H new ATOM 548 N GLY A 34 -1.014 -1.641 -5.811 1.00 0.00 N ATOM 549 CA GLY A 34 -2.054 -1.132 -6.686 1.00 0.00 C ATOM 550 C GLY A 34 -3.141 -0.397 -5.928 1.00 0.00 C ATOM 551 O GLY A 34 -4.263 -0.888 -5.804 1.00 0.00 O ATOM 0 H GLY A 34 -0.791 -1.041 -5.016 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.610 -0.460 -7.421 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.497 -1.960 -7.239 1.00 0.00 H new ATOM 555 N SER A 35 -2.808 0.785 -5.418 1.00 0.00 N ATOM 556 CA SER A 35 -3.763 1.588 -4.662 1.00 0.00 C ATOM 557 C SER A 35 -4.856 2.134 -5.576 1.00 0.00 C ATOM 558 O SER A 35 -4.573 2.811 -6.564 1.00 0.00 O ATOM 559 CB SER A 35 -3.047 2.742 -3.958 1.00 0.00 C ATOM 560 OG SER A 35 -3.874 3.325 -2.966 1.00 0.00 O ATOM 0 H SER A 35 -1.885 1.208 -5.514 1.00 0.00 H new ATOM 0 HA SER A 35 -4.227 0.947 -3.912 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.127 2.379 -3.501 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.763 3.498 -4.690 1.00 0.00 H new ATOM 0 HG SER A 35 -3.393 4.059 -2.529 1.00 0.00 H new ATOM 566 N SER A 36 -6.106 1.835 -5.238 1.00 0.00 N ATOM 567 CA SER A 36 -7.242 2.292 -6.029 1.00 0.00 C ATOM 568 C SER A 36 -7.716 3.663 -5.556 1.00 0.00 C ATOM 569 O SER A 36 -8.899 3.990 -5.649 1.00 0.00 O ATOM 570 CB SER A 36 -8.391 1.285 -5.940 1.00 0.00 C ATOM 571 OG SER A 36 -9.244 1.385 -7.067 1.00 0.00 O ATOM 0 H SER A 36 -6.358 1.278 -4.421 1.00 0.00 H new ATOM 0 HA SER A 36 -6.920 2.375 -7.067 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.989 0.274 -5.873 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.964 1.461 -5.029 1.00 0.00 H new ATOM 0 HG SER A 36 -9.572 2.305 -7.149 1.00 0.00 H new ATOM 577 N GLY A 37 -6.783 4.463 -5.050 1.00 0.00 N ATOM 578 CA GLY A 37 -7.123 5.790 -4.570 1.00 0.00 C ATOM 579 C GLY A 37 -6.443 6.124 -3.257 1.00 0.00 C ATOM 580 O GLY A 37 -5.303 6.588 -3.241 1.00 0.00 O ATOM 0 H GLY A 37 -5.797 4.216 -4.964 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.839 6.528 -5.320 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.203 5.862 -4.445 1.00 0.00 H new ATOM 584 N SER A 38 -7.144 5.888 -2.153 1.00 0.00 N ATOM 585 CA SER A 38 -6.604 6.172 -0.829 1.00 0.00 C ATOM 586 C SER A 38 -6.395 4.884 -0.039 1.00 0.00 C ATOM 587 O SER A 38 -6.945 3.837 -0.382 1.00 0.00 O ATOM 588 CB SER A 38 -7.540 7.108 -0.062 1.00 0.00 C ATOM 589 OG SER A 38 -6.941 7.555 1.142 1.00 0.00 O ATOM 0 H SER A 38 -8.088 5.501 -2.149 1.00 0.00 H new ATOM 0 HA SER A 38 -5.638 6.661 -0.956 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.793 7.965 -0.686 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.473 6.591 0.163 1.00 0.00 H new ATOM 0 HG SER A 38 -7.559 8.153 1.612 1.00 0.00 H new ATOM 595 N SER A 39 -5.598 4.969 1.021 1.00 0.00 N ATOM 596 CA SER A 39 -5.313 3.810 1.858 1.00 0.00 C ATOM 597 C SER A 39 -6.594 3.256 2.474 1.00 0.00 C ATOM 598 O SER A 39 -6.809 2.045 2.503 1.00 0.00 O ATOM 599 CB SER A 39 -4.323 4.184 2.964 1.00 0.00 C ATOM 600 OG SER A 39 -3.101 4.650 2.418 1.00 0.00 O ATOM 0 H SER A 39 -5.138 5.829 1.321 1.00 0.00 H new ATOM 0 HA SER A 39 -4.870 3.039 1.228 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.758 4.955 3.600 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.135 3.317 3.597 1.00 0.00 H new ATOM 0 HG SER A 39 -2.486 4.884 3.144 1.00 0.00 H new ATOM 606 N GLY A 40 -7.444 4.153 2.964 1.00 0.00 N ATOM 607 CA GLY A 40 -8.694 3.737 3.573 1.00 0.00 C ATOM 608 C GLY A 40 -9.624 3.062 2.583 1.00 0.00 C ATOM 609 O GLY A 40 -10.011 1.909 2.772 1.00 0.00 O ATOM 0 H GLY A 40 -7.289 5.161 2.950 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.484 3.052 4.395 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.193 4.606 4.001 1.00 0.00 H new ATOM 613 N ASP A 41 -9.984 3.782 1.527 1.00 0.00 N ATOM 614 CA ASP A 41 -10.875 3.247 0.504 1.00 0.00 C ATOM 615 C ASP A 41 -10.595 1.767 0.260 1.00 0.00 C ATOM 616 O ASP A 41 -11.518 0.964 0.128 1.00 0.00 O ATOM 617 CB ASP A 41 -10.719 4.030 -0.800 1.00 0.00 C ATOM 618 CG ASP A 41 -11.400 5.384 -0.747 1.00 0.00 C ATOM 619 OD1 ASP A 41 -11.069 6.180 0.158 1.00 0.00 O ATOM 620 OD2 ASP A 41 -12.262 5.648 -1.611 1.00 0.00 O ATOM 0 H ASP A 41 -9.673 4.738 1.357 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.900 3.351 0.860 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.659 4.168 -1.013 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.136 3.448 -1.622 1.00 0.00 H new ATOM 625 N MET A 42 -9.315 1.415 0.201 1.00 0.00 N ATOM 626 CA MET A 42 -8.913 0.032 -0.028 1.00 0.00 C ATOM 627 C MET A 42 -9.715 -0.920 0.855 1.00 0.00 C ATOM 628 O MET A 42 -10.416 -1.800 0.357 1.00 0.00 O ATOM 629 CB MET A 42 -7.418 -0.139 0.245 1.00 0.00 C ATOM 630 CG MET A 42 -6.531 0.493 -0.816 1.00 0.00 C ATOM 631 SD MET A 42 -6.872 -0.135 -2.471 1.00 0.00 S ATOM 632 CE MET A 42 -5.726 -1.509 -2.556 1.00 0.00 C ATOM 0 H MET A 42 -8.539 2.068 0.309 1.00 0.00 H new ATOM 0 HA MET A 42 -9.114 -0.211 -1.071 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.181 0.300 1.214 1.00 0.00 H new ATOM 0 HB3 MET A 42 -7.188 -1.202 0.313 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.672 1.574 -0.806 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.486 0.306 -0.569 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.978 -1.312 -3.324 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.232 -1.631 -1.592 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.269 -2.421 -2.804 1.00 0.00 H new ATOM 642 N MET A 43 -9.606 -0.737 2.166 1.00 0.00 N ATOM 643 CA MET A 43 -10.322 -1.579 3.117 1.00 0.00 C ATOM 644 C MET A 43 -11.698 -1.959 2.579 1.00 0.00 C ATOM 645 O MET A 43 -12.117 -3.112 2.680 1.00 0.00 O ATOM 646 CB MET A 43 -10.468 -0.860 4.460 1.00 0.00 C ATOM 647 CG MET A 43 -9.140 -0.555 5.133 1.00 0.00 C ATOM 648 SD MET A 43 -9.320 -0.183 6.888 1.00 0.00 S ATOM 649 CE MET A 43 -9.342 -1.833 7.584 1.00 0.00 C ATOM 0 H MET A 43 -9.029 -0.013 2.594 1.00 0.00 H new ATOM 0 HA MET A 43 -9.743 -2.491 3.262 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.011 0.073 4.306 1.00 0.00 H new ATOM 0 HB3 MET A 43 -11.072 -1.474 5.128 1.00 0.00 H new ATOM 0 HG2 MET A 43 -8.472 -1.408 5.013 1.00 0.00 H new ATOM 0 HG3 MET A 43 -8.669 0.291 4.633 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.305 -1.770 8.672 1.00 0.00 H new ATOM 0 HE2 MET A 43 -10.256 -2.344 7.281 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.478 -2.391 7.224 1.00 0.00 H new ATOM 659 N ARG A 44 -12.395 -0.982 2.007 1.00 0.00 N ATOM 660 CA ARG A 44 -13.723 -1.215 1.454 1.00 0.00 C ATOM 661 C ARG A 44 -13.646 -2.074 0.196 1.00 0.00 C ATOM 662 O ARG A 44 -14.447 -2.989 0.008 1.00 0.00 O ATOM 663 CB ARG A 44 -14.406 0.116 1.134 1.00 0.00 C ATOM 664 CG ARG A 44 -15.085 0.756 2.334 1.00 0.00 C ATOM 665 CD ARG A 44 -14.084 1.484 3.218 1.00 0.00 C ATOM 666 NE ARG A 44 -14.736 2.434 4.116 1.00 0.00 N ATOM 667 CZ ARG A 44 -14.167 2.916 5.215 1.00 0.00 C ATOM 668 NH1 ARG A 44 -12.941 2.540 5.550 1.00 0.00 N ATOM 669 NH2 ARG A 44 -14.824 3.777 5.981 1.00 0.00 N ATOM 0 H ARG A 44 -12.062 -0.022 1.915 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.311 -1.748 2.201 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -13.665 0.808 0.735 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -15.147 -0.045 0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.847 1.457 1.992 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.596 -0.011 2.916 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.523 0.757 3.805 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.364 2.012 2.592 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.680 2.744 3.886 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.432 1.879 4.963 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.506 2.912 6.395 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -15.767 4.070 5.726 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -14.386 4.146 6.825 1.00 0.00 H new ATOM 683 N GLU A 45 -12.676 -1.772 -0.662 1.00 0.00 N ATOM 684 CA GLU A 45 -12.496 -2.517 -1.903 1.00 0.00 C ATOM 685 C GLU A 45 -12.144 -3.974 -1.617 1.00 0.00 C ATOM 686 O GLU A 45 -12.823 -4.890 -2.081 1.00 0.00 O ATOM 687 CB GLU A 45 -11.400 -1.873 -2.755 1.00 0.00 C ATOM 688 CG GLU A 45 -11.433 -2.300 -4.213 1.00 0.00 C ATOM 689 CD GLU A 45 -12.681 -1.825 -4.932 1.00 0.00 C ATOM 690 OE1 GLU A 45 -13.242 -0.786 -4.525 1.00 0.00 O ATOM 691 OE2 GLU A 45 -13.096 -2.492 -5.903 1.00 0.00 O ATOM 0 H GLU A 45 -12.004 -1.018 -0.521 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.437 -2.490 -2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.499 -0.789 -2.700 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.427 -2.126 -2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.553 -1.908 -4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.376 -3.387 -4.271 1.00 0.00 H new ATOM 698 N ILE A 46 -11.077 -4.179 -0.852 1.00 0.00 N ATOM 699 CA ILE A 46 -10.635 -5.523 -0.504 1.00 0.00 C ATOM 700 C ILE A 46 -11.818 -6.416 -0.145 1.00 0.00 C ATOM 701 O ILE A 46 -11.946 -7.528 -0.656 1.00 0.00 O ATOM 702 CB ILE A 46 -9.646 -5.502 0.677 1.00 0.00 C ATOM 703 CG1 ILE A 46 -8.383 -4.724 0.299 1.00 0.00 C ATOM 704 CG2 ILE A 46 -9.294 -6.921 1.098 1.00 0.00 C ATOM 705 CD1 ILE A 46 -7.723 -4.038 1.474 1.00 0.00 C ATOM 0 H ILE A 46 -10.503 -3.432 -0.462 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.132 -5.927 -1.383 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.120 -5.000 1.520 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.669 -5.407 -0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.638 -3.976 -0.452 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.594 -6.890 1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.200 -7.445 1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.835 -7.446 0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.835 -3.506 1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.421 -3.330 1.921 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.437 -4.783 2.217 1.00 0.00 H new ATOM 717 N ARG A 47 -12.681 -5.920 0.735 1.00 0.00 N ATOM 718 CA ARG A 47 -13.855 -6.672 1.162 1.00 0.00 C ATOM 719 C ARG A 47 -14.628 -7.201 -0.042 1.00 0.00 C ATOM 720 O ARG A 47 -15.060 -8.354 -0.059 1.00 0.00 O ATOM 721 CB ARG A 47 -14.765 -5.793 2.021 1.00 0.00 C ATOM 722 CG ARG A 47 -14.162 -5.422 3.366 1.00 0.00 C ATOM 723 CD ARG A 47 -15.047 -4.444 4.123 1.00 0.00 C ATOM 724 NE ARG A 47 -14.313 -3.740 5.171 1.00 0.00 N ATOM 725 CZ ARG A 47 -14.895 -3.179 6.225 1.00 0.00 C ATOM 726 NH1 ARG A 47 -16.211 -3.240 6.371 1.00 0.00 N ATOM 727 NH2 ARG A 47 -14.159 -2.555 7.136 1.00 0.00 N ATOM 0 H ARG A 47 -12.589 -5.000 1.167 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.516 -7.521 1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -14.997 -4.880 1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.708 -6.314 2.187 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.020 -6.323 3.963 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.177 -4.981 3.215 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.466 -3.719 3.425 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -15.885 -4.982 4.566 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.298 -3.676 5.089 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -16.780 -3.719 5.673 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -16.655 -2.808 7.182 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.146 -2.506 7.027 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -14.606 -2.124 7.945 1.00 0.00 H new ATOM 741 N LYS A 48 -14.800 -6.351 -1.048 1.00 0.00 N ATOM 742 CA LYS A 48 -15.521 -6.731 -2.257 1.00 0.00 C ATOM 743 C LYS A 48 -14.933 -8.001 -2.865 1.00 0.00 C ATOM 744 O LYS A 48 -15.665 -8.897 -3.284 1.00 0.00 O ATOM 745 CB LYS A 48 -15.476 -5.595 -3.281 1.00 0.00 C ATOM 746 CG LYS A 48 -16.146 -5.938 -4.601 1.00 0.00 C ATOM 747 CD LYS A 48 -15.165 -6.562 -5.579 1.00 0.00 C ATOM 748 CE LYS A 48 -15.848 -7.579 -6.481 1.00 0.00 C ATOM 749 NZ LYS A 48 -16.385 -6.949 -7.719 1.00 0.00 N ATOM 0 H LYS A 48 -14.450 -5.393 -1.050 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.558 -6.926 -1.985 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.959 -4.715 -2.856 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.436 -5.328 -3.470 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.971 -6.627 -4.423 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.573 -5.036 -5.039 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.711 -5.781 -6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -14.359 -7.046 -5.028 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.138 -8.361 -6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.660 -8.060 -5.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.843 -7.674 -8.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -17.082 -6.220 -7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.606 -6.512 -8.252 1.00 0.00 H new ATOM 763 N VAL A 49 -13.606 -8.071 -2.908 1.00 0.00 N ATOM 764 CA VAL A 49 -12.920 -9.232 -3.462 1.00 0.00 C ATOM 765 C VAL A 49 -13.224 -10.488 -2.653 1.00 0.00 C ATOM 766 O VAL A 49 -13.460 -11.559 -3.214 1.00 0.00 O ATOM 767 CB VAL A 49 -11.395 -9.017 -3.501 1.00 0.00 C ATOM 768 CG1 VAL A 49 -10.744 -9.981 -4.481 1.00 0.00 C ATOM 769 CG2 VAL A 49 -11.070 -7.575 -3.862 1.00 0.00 C ATOM 0 H VAL A 49 -12.985 -7.338 -2.566 1.00 0.00 H new ATOM 0 HA VAL A 49 -13.288 -9.361 -4.480 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.991 -9.219 -2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.667 -9.814 -4.495 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -10.948 -11.006 -4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.150 -9.815 -5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.989 -7.441 -3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.486 -7.343 -4.843 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.503 -6.907 -3.117 1.00 0.00 H new ATOM 779 N LEU A 50 -13.218 -10.350 -1.332 1.00 0.00 N ATOM 780 CA LEU A 50 -13.494 -11.474 -0.444 1.00 0.00 C ATOM 781 C LEU A 50 -14.900 -12.019 -0.676 1.00 0.00 C ATOM 782 O LEU A 50 -15.076 -13.193 -0.997 1.00 0.00 O ATOM 783 CB LEU A 50 -13.336 -11.046 1.017 1.00 0.00 C ATOM 784 CG LEU A 50 -12.071 -10.255 1.351 1.00 0.00 C ATOM 785 CD1 LEU A 50 -12.208 -9.578 2.706 1.00 0.00 C ATOM 786 CD2 LEU A 50 -10.852 -11.165 1.329 1.00 0.00 C ATOM 0 H LEU A 50 -13.025 -9.471 -0.852 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.777 -12.264 -0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.201 -10.443 1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.357 -11.940 1.641 1.00 0.00 H new ATOM 0 HG LEU A 50 -11.937 -9.483 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.298 -9.020 2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.057 -8.895 2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.366 -10.333 3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.961 -10.585 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.977 -11.959 2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.743 -11.604 0.337 1.00 0.00 H new ATOM 798 N GLY A 51 -15.898 -11.156 -0.514 1.00 0.00 N ATOM 799 CA GLY A 51 -17.275 -11.569 -0.713 1.00 0.00 C ATOM 800 C GLY A 51 -17.495 -12.228 -2.060 1.00 0.00 C ATOM 801 O GLY A 51 -18.290 -13.159 -2.181 1.00 0.00 O ATOM 0 H GLY A 51 -15.778 -10.179 -0.249 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.561 -12.262 0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.928 -10.700 -0.626 1.00 0.00 H new ATOM 805 N ALA A 52 -16.789 -11.742 -3.076 1.00 0.00 N ATOM 806 CA ALA A 52 -16.910 -12.290 -4.421 1.00 0.00 C ATOM 807 C ALA A 52 -16.455 -13.745 -4.465 1.00 0.00 C ATOM 808 O ALA A 52 -17.099 -14.588 -5.087 1.00 0.00 O ATOM 809 CB ALA A 52 -16.106 -11.454 -5.406 1.00 0.00 C ATOM 0 H ALA A 52 -16.128 -10.970 -2.993 1.00 0.00 H new ATOM 0 HA ALA A 52 -17.962 -12.257 -4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.206 -11.875 -6.407 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.480 -10.430 -5.404 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.056 -11.457 -5.114 1.00 0.00 H new ATOM 815 N ASN A 53 -15.340 -14.032 -3.800 1.00 0.00 N ATOM 816 CA ASN A 53 -14.798 -15.385 -3.764 1.00 0.00 C ATOM 817 C ASN A 53 -15.298 -16.139 -2.535 1.00 0.00 C ATOM 818 O ASN A 53 -14.555 -16.899 -1.916 1.00 0.00 O ATOM 819 CB ASN A 53 -13.269 -15.345 -3.764 1.00 0.00 C ATOM 820 CG ASN A 53 -12.692 -15.288 -5.165 1.00 0.00 C ATOM 821 OD1 ASN A 53 -12.163 -16.278 -5.671 1.00 0.00 O ATOM 822 ND2 ASN A 53 -12.792 -14.126 -5.799 1.00 0.00 N ATOM 0 H ASN A 53 -14.795 -13.345 -3.279 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.141 -15.910 -4.655 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.931 -14.476 -3.199 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.885 -16.227 -3.252 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.422 -14.027 -6.744 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.239 -13.332 -5.341 1.00 0.00 H new ATOM 829 N ASN A 54 -16.562 -15.921 -2.187 1.00 0.00 N ATOM 830 CA ASN A 54 -17.162 -16.579 -1.032 1.00 0.00 C ATOM 831 C ASN A 54 -16.211 -16.557 0.161 1.00 0.00 C ATOM 832 O ASN A 54 -16.042 -17.563 0.851 1.00 0.00 O ATOM 833 CB ASN A 54 -17.532 -18.023 -1.377 1.00 0.00 C ATOM 834 CG ASN A 54 -18.856 -18.121 -2.111 1.00 0.00 C ATOM 835 OD1 ASN A 54 -18.987 -17.657 -3.244 1.00 0.00 O ATOM 836 ND2 ASN A 54 -19.846 -18.727 -1.466 1.00 0.00 N ATOM 0 H ASN A 54 -17.191 -15.294 -2.688 1.00 0.00 H new ATOM 0 HA ASN A 54 -18.067 -16.033 -0.763 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -16.745 -18.460 -1.992 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -17.583 -18.611 -0.461 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -20.760 -18.823 -1.909 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -19.693 -19.097 -0.528 1.00 0.00 H new ATOM 843 N CYS A 55 -15.594 -15.405 0.397 1.00 0.00 N ATOM 844 CA CYS A 55 -14.660 -15.252 1.507 1.00 0.00 C ATOM 845 C CYS A 55 -15.240 -14.341 2.584 1.00 0.00 C ATOM 846 O CYS A 55 -16.137 -13.541 2.318 1.00 0.00 O ATOM 847 CB CYS A 55 -13.330 -14.687 1.006 1.00 0.00 C ATOM 848 SG CYS A 55 -12.479 -15.747 -0.186 1.00 0.00 S ATOM 0 H CYS A 55 -15.723 -14.564 -0.165 1.00 0.00 H new ATOM 0 HA CYS A 55 -14.488 -16.236 1.943 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -13.510 -13.715 0.547 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -12.674 -14.520 1.860 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.356 -16.372 -0.914 1.00 0.00 H new ATOM 854 N ASP A 56 -14.724 -14.470 3.801 1.00 0.00 N ATOM 855 CA ASP A 56 -15.191 -13.659 4.920 1.00 0.00 C ATOM 856 C ASP A 56 -14.086 -12.732 5.417 1.00 0.00 C ATOM 857 O ASP A 56 -12.926 -12.868 5.029 1.00 0.00 O ATOM 858 CB ASP A 56 -15.673 -14.556 6.061 1.00 0.00 C ATOM 859 CG ASP A 56 -16.956 -15.288 5.720 1.00 0.00 C ATOM 860 OD1 ASP A 56 -16.873 -16.395 5.148 1.00 0.00 O ATOM 861 OD2 ASP A 56 -18.043 -14.754 6.025 1.00 0.00 O ATOM 0 H ASP A 56 -13.982 -15.128 4.038 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.024 -13.048 4.572 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.897 -15.282 6.301 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.830 -13.951 6.954 1.00 0.00 H new ATOM 866 N TYR A 57 -14.456 -11.788 6.275 1.00 0.00 N ATOM 867 CA TYR A 57 -13.498 -10.835 6.823 1.00 0.00 C ATOM 868 C TYR A 57 -13.973 -10.296 8.168 1.00 0.00 C ATOM 869 O TYR A 57 -15.172 -10.131 8.394 1.00 0.00 O ATOM 870 CB TYR A 57 -13.281 -9.679 5.845 1.00 0.00 C ATOM 871 CG TYR A 57 -14.566 -9.102 5.296 1.00 0.00 C ATOM 872 CD1 TYR A 57 -15.255 -9.739 4.272 1.00 0.00 C ATOM 873 CD2 TYR A 57 -15.091 -7.919 5.801 1.00 0.00 C ATOM 874 CE1 TYR A 57 -16.429 -9.215 3.766 1.00 0.00 C ATOM 875 CE2 TYR A 57 -16.265 -7.388 5.303 1.00 0.00 C ATOM 876 CZ TYR A 57 -16.930 -8.039 4.286 1.00 0.00 C ATOM 877 OH TYR A 57 -18.100 -7.514 3.786 1.00 0.00 O ATOM 0 H TYR A 57 -15.413 -11.662 6.606 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.553 -11.356 6.975 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.723 -8.889 6.347 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.665 -10.026 5.016 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -14.866 -10.660 3.864 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -14.572 -7.405 6.597 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -16.951 -9.723 2.969 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -16.660 -6.468 5.708 1.00 0.00 H new ATOM 0 HH TYR A 57 -18.316 -6.684 4.261 1.00 0.00 H new ATOM 887 N GLU A 58 -13.024 -10.022 9.058 1.00 0.00 N ATOM 888 CA GLU A 58 -13.346 -9.501 10.381 1.00 0.00 C ATOM 889 C GLU A 58 -12.373 -8.397 10.783 1.00 0.00 C ATOM 890 O GLU A 58 -11.224 -8.666 11.132 1.00 0.00 O ATOM 891 CB GLU A 58 -13.314 -10.626 11.418 1.00 0.00 C ATOM 892 CG GLU A 58 -13.656 -10.167 12.825 1.00 0.00 C ATOM 893 CD GLU A 58 -15.141 -10.248 13.121 1.00 0.00 C ATOM 894 OE1 GLU A 58 -15.773 -11.244 12.710 1.00 0.00 O ATOM 895 OE2 GLU A 58 -15.671 -9.317 13.763 1.00 0.00 O ATOM 0 H GLU A 58 -12.027 -10.152 8.887 1.00 0.00 H new ATOM 0 HA GLU A 58 -14.351 -9.080 10.343 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -14.015 -11.405 11.118 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.321 -11.076 11.423 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.112 -10.779 13.545 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.318 -9.140 12.960 1.00 0.00 H new ATOM 902 N GLN A 59 -12.842 -7.154 10.729 1.00 0.00 N ATOM 903 CA GLN A 59 -12.012 -6.009 11.086 1.00 0.00 C ATOM 904 C GLN A 59 -11.572 -6.089 12.544 1.00 0.00 C ATOM 905 O GLN A 59 -12.395 -6.015 13.456 1.00 0.00 O ATOM 906 CB GLN A 59 -12.774 -4.705 10.842 1.00 0.00 C ATOM 907 CG GLN A 59 -11.877 -3.540 10.458 1.00 0.00 C ATOM 908 CD GLN A 59 -12.428 -2.204 10.917 1.00 0.00 C ATOM 909 OE1 GLN A 59 -13.621 -2.072 11.189 1.00 0.00 O ATOM 910 NE2 GLN A 59 -11.559 -1.204 11.005 1.00 0.00 N ATOM 0 H GLN A 59 -13.791 -6.914 10.442 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.123 -6.026 10.456 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.507 -4.865 10.051 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.329 -4.444 11.743 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.888 -3.689 10.892 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.751 -3.524 9.375 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.579 -1.358 10.770 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.872 -0.282 11.308 1.00 0.00 H new ATOM 919 N ARG A 60 -10.269 -6.242 12.755 1.00 0.00 N ATOM 920 CA ARG A 60 -9.719 -6.334 14.103 1.00 0.00 C ATOM 921 C ARG A 60 -9.265 -4.965 14.599 1.00 0.00 C ATOM 922 O ARG A 60 -9.534 -4.587 15.739 1.00 0.00 O ATOM 923 CB ARG A 60 -8.544 -7.314 14.131 1.00 0.00 C ATOM 924 CG ARG A 60 -8.955 -8.763 13.926 1.00 0.00 C ATOM 925 CD ARG A 60 -9.633 -9.330 15.164 1.00 0.00 C ATOM 926 NE ARG A 60 -11.019 -8.884 15.282 1.00 0.00 N ATOM 927 CZ ARG A 60 -11.677 -8.827 16.434 1.00 0.00 C ATOM 928 NH1 ARG A 60 -11.079 -9.186 17.562 1.00 0.00 N ATOM 929 NH2 ARG A 60 -12.936 -8.409 16.461 1.00 0.00 N ATOM 0 H ARG A 60 -9.574 -6.305 12.011 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.504 -6.699 14.765 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.830 -7.034 13.356 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.029 -7.223 15.087 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.632 -8.833 13.075 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.076 -9.361 13.685 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.605 -10.419 15.126 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.078 -9.027 16.052 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.508 -8.601 14.433 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.111 -9.507 17.546 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.587 -9.141 18.445 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.400 -8.131 15.596 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.440 -8.366 17.347 1.00 0.00 H new ATOM 943 N GLU A 61 -8.574 -4.227 13.735 1.00 0.00 N ATOM 944 CA GLU A 61 -8.082 -2.900 14.087 1.00 0.00 C ATOM 945 C GLU A 61 -8.563 -1.857 13.083 1.00 0.00 C ATOM 946 O GLU A 61 -9.347 -2.161 12.184 1.00 0.00 O ATOM 947 CB GLU A 61 -6.553 -2.899 14.148 1.00 0.00 C ATOM 948 CG GLU A 61 -5.994 -3.518 15.419 1.00 0.00 C ATOM 949 CD GLU A 61 -6.093 -2.588 16.613 1.00 0.00 C ATOM 950 OE1 GLU A 61 -6.998 -1.728 16.620 1.00 0.00 O ATOM 951 OE2 GLU A 61 -5.265 -2.721 17.539 1.00 0.00 O ATOM 0 H GLU A 61 -8.343 -4.525 12.787 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.478 -2.642 15.069 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.163 -3.442 13.287 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.195 -1.873 14.066 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.532 -4.441 15.636 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.950 -3.788 15.259 1.00 0.00 H new ATOM 958 N ARG A 62 -8.087 -0.626 13.243 1.00 0.00 N ATOM 959 CA ARG A 62 -8.469 0.463 12.353 1.00 0.00 C ATOM 960 C ARG A 62 -8.141 0.119 10.902 1.00 0.00 C ATOM 961 O ARG A 62 -8.966 0.304 10.008 1.00 0.00 O ATOM 962 CB ARG A 62 -7.756 1.754 12.756 1.00 0.00 C ATOM 963 CG ARG A 62 -6.241 1.667 12.664 1.00 0.00 C ATOM 964 CD ARG A 62 -5.585 2.993 13.018 1.00 0.00 C ATOM 965 NE ARG A 62 -5.291 3.094 14.445 1.00 0.00 N ATOM 966 CZ ARG A 62 -4.990 4.236 15.054 1.00 0.00 C ATOM 967 NH1 ARG A 62 -4.945 5.367 14.364 1.00 0.00 N ATOM 968 NH2 ARG A 62 -4.735 4.247 16.356 1.00 0.00 N ATOM 0 H ARG A 62 -7.436 -0.358 13.981 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.546 0.609 12.440 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.104 2.566 12.118 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.035 2.010 13.778 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.878 0.889 13.336 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.953 1.375 11.654 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.662 3.104 12.449 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.241 3.812 12.724 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.318 2.242 15.005 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.142 5.362 13.363 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.714 6.242 14.834 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.770 3.379 16.890 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.504 5.124 16.823 1.00 0.00 H new ATOM 982 N PHE A 63 -6.931 -0.382 10.678 1.00 0.00 N ATOM 983 CA PHE A 63 -6.493 -0.749 9.336 1.00 0.00 C ATOM 984 C PHE A 63 -6.082 -2.218 9.282 1.00 0.00 C ATOM 985 O PHE A 63 -4.993 -2.553 8.813 1.00 0.00 O ATOM 986 CB PHE A 63 -5.324 0.135 8.898 1.00 0.00 C ATOM 987 CG PHE A 63 -5.703 1.576 8.703 1.00 0.00 C ATOM 988 CD1 PHE A 63 -6.501 1.958 7.637 1.00 0.00 C ATOM 989 CD2 PHE A 63 -5.261 2.547 9.586 1.00 0.00 C ATOM 990 CE1 PHE A 63 -6.850 3.282 7.455 1.00 0.00 C ATOM 991 CE2 PHE A 63 -5.607 3.874 9.409 1.00 0.00 C ATOM 992 CZ PHE A 63 -6.404 4.242 8.343 1.00 0.00 C ATOM 0 H PHE A 63 -6.237 -0.543 11.408 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.329 -0.597 8.654 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.532 0.074 9.645 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.914 -0.254 7.966 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.854 1.212 6.940 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.639 2.265 10.422 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.471 3.567 6.619 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.254 4.622 10.104 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.678 5.277 8.204 1.00 0.00 H new ATOM 1002 N LEU A 64 -6.961 -3.090 9.765 1.00 0.00 N ATOM 1003 CA LEU A 64 -6.691 -4.523 9.772 1.00 0.00 C ATOM 1004 C LEU A 64 -7.972 -5.320 9.547 1.00 0.00 C ATOM 1005 O LEU A 64 -9.031 -4.974 10.071 1.00 0.00 O ATOM 1006 CB LEU A 64 -6.047 -4.934 11.098 1.00 0.00 C ATOM 1007 CG LEU A 64 -5.631 -6.401 11.216 1.00 0.00 C ATOM 1008 CD1 LEU A 64 -4.500 -6.714 10.248 1.00 0.00 C ATOM 1009 CD2 LEU A 64 -5.217 -6.724 12.644 1.00 0.00 C ATOM 0 H LEU A 64 -7.866 -2.829 10.157 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.001 -4.742 8.957 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.166 -4.313 11.259 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.746 -4.709 11.903 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.487 -7.024 10.957 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.217 -7.762 10.346 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.831 -6.521 9.227 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.641 -6.083 10.476 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.924 -7.772 12.710 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.375 -6.093 12.930 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.055 -6.539 13.316 1.00 0.00 H new ATOM 1021 N LEU A 65 -7.867 -6.390 8.766 1.00 0.00 N ATOM 1022 CA LEU A 65 -9.017 -7.238 8.473 1.00 0.00 C ATOM 1023 C LEU A 65 -8.606 -8.705 8.396 1.00 0.00 C ATOM 1024 O LEU A 65 -7.695 -9.067 7.651 1.00 0.00 O ATOM 1025 CB LEU A 65 -9.670 -6.809 7.157 1.00 0.00 C ATOM 1026 CG LEU A 65 -10.655 -5.644 7.245 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -10.663 -4.852 5.947 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -12.053 -6.150 7.572 1.00 0.00 C ATOM 0 H LEU A 65 -6.998 -6.691 8.325 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.738 -7.124 9.283 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.881 -6.540 6.454 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.192 -7.669 6.736 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.333 -4.982 8.049 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.370 -4.027 6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.665 -4.457 5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.959 -5.504 5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.741 -5.306 7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.384 -6.835 6.791 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.037 -6.672 8.529 1.00 0.00 H new ATOM 1040 N PHE A 66 -9.286 -9.546 9.168 1.00 0.00 N ATOM 1041 CA PHE A 66 -8.992 -10.974 9.187 1.00 0.00 C ATOM 1042 C PHE A 66 -9.708 -11.691 8.046 1.00 0.00 C ATOM 1043 O PHE A 66 -10.872 -12.075 8.173 1.00 0.00 O ATOM 1044 CB PHE A 66 -9.407 -11.584 10.527 1.00 0.00 C ATOM 1045 CG PHE A 66 -8.958 -13.007 10.703 1.00 0.00 C ATOM 1046 CD1 PHE A 66 -7.656 -13.295 11.079 1.00 0.00 C ATOM 1047 CD2 PHE A 66 -9.838 -14.056 10.493 1.00 0.00 C ATOM 1048 CE1 PHE A 66 -7.240 -14.603 11.240 1.00 0.00 C ATOM 1049 CE2 PHE A 66 -9.429 -15.366 10.653 1.00 0.00 C ATOM 1050 CZ PHE A 66 -8.128 -15.640 11.028 1.00 0.00 C ATOM 0 H PHE A 66 -10.044 -9.263 9.789 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.917 -11.100 9.056 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.996 -10.979 11.335 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.492 -11.540 10.616 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.958 -12.488 11.248 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -10.856 -13.847 10.201 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.222 -14.814 11.531 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -10.125 -16.174 10.485 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.806 -16.663 11.155 1.00 0.00 H new ATOM 1060 N CYS A 67 -9.005 -11.867 6.933 1.00 0.00 N ATOM 1061 CA CYS A 67 -9.573 -12.537 5.768 1.00 0.00 C ATOM 1062 C CYS A 67 -9.480 -14.052 5.912 1.00 0.00 C ATOM 1063 O CYS A 67 -8.429 -14.590 6.262 1.00 0.00 O ATOM 1064 CB CYS A 67 -8.854 -12.089 4.495 1.00 0.00 C ATOM 1065 SG CYS A 67 -8.991 -10.318 4.154 1.00 0.00 S ATOM 0 H CYS A 67 -8.041 -11.555 6.812 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.625 -12.261 5.699 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.799 -12.352 4.574 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.258 -12.644 3.648 1.00 0.00 H new ATOM 0 HG CYS A 67 -8.349 -10.036 3.059 1.00 0.00 H new ATOM 1071 N VAL A 68 -10.587 -14.737 5.643 1.00 0.00 N ATOM 1072 CA VAL A 68 -10.631 -16.191 5.744 1.00 0.00 C ATOM 1073 C VAL A 68 -11.435 -16.797 4.599 1.00 0.00 C ATOM 1074 O VAL A 68 -12.540 -16.346 4.296 1.00 0.00 O ATOM 1075 CB VAL A 68 -11.243 -16.642 7.083 1.00 0.00 C ATOM 1076 CG1 VAL A 68 -12.704 -16.227 7.169 1.00 0.00 C ATOM 1077 CG2 VAL A 68 -11.097 -18.147 7.255 1.00 0.00 C ATOM 0 H VAL A 68 -11.466 -14.308 5.353 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.601 -16.544 5.687 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.703 -16.152 7.893 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -13.120 -16.554 8.122 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.779 -15.142 7.094 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -13.261 -16.687 6.353 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.535 -18.449 8.207 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.611 -18.658 6.441 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.040 -18.414 7.241 1.00 0.00 H new ATOM 1087 N HIS A 69 -10.873 -17.822 3.967 1.00 0.00 N ATOM 1088 CA HIS A 69 -11.539 -18.492 2.855 1.00 0.00 C ATOM 1089 C HIS A 69 -12.182 -19.798 3.314 1.00 0.00 C ATOM 1090 O HIS A 69 -11.490 -20.739 3.702 1.00 0.00 O ATOM 1091 CB HIS A 69 -10.543 -18.769 1.729 1.00 0.00 C ATOM 1092 CG HIS A 69 -11.116 -19.582 0.609 1.00 0.00 C ATOM 1093 ND1 HIS A 69 -10.731 -20.881 0.349 1.00 0.00 N ATOM 1094 CD2 HIS A 69 -12.051 -19.275 -0.320 1.00 0.00 C ATOM 1095 CE1 HIS A 69 -11.404 -21.337 -0.692 1.00 0.00 C ATOM 1096 NE2 HIS A 69 -12.212 -20.382 -1.116 1.00 0.00 N ATOM 0 H HIS A 69 -9.959 -18.207 4.205 1.00 0.00 H new ATOM 0 HA HIS A 69 -12.323 -17.833 2.483 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.184 -17.820 1.331 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.678 -19.290 2.140 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -12.573 -18.335 -0.417 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -11.310 -22.323 -1.123 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -12.852 -20.455 -1.907 1.00 0.00 H new ATOM 1105 N GLY A 70 -13.510 -19.847 3.267 1.00 0.00 N ATOM 1106 CA GLY A 70 -14.223 -21.041 3.681 1.00 0.00 C ATOM 1107 C GLY A 70 -14.978 -21.691 2.539 1.00 0.00 C ATOM 1108 O GLY A 70 -15.616 -21.006 1.738 1.00 0.00 O ATOM 0 H GLY A 70 -14.104 -19.081 2.950 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.515 -21.757 4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.923 -20.785 4.476 1.00 0.00 H new ATOM 1112 N ASP A 71 -14.906 -23.015 2.462 1.00 0.00 N ATOM 1113 CA ASP A 71 -15.588 -23.758 1.408 1.00 0.00 C ATOM 1114 C ASP A 71 -16.376 -24.927 1.991 1.00 0.00 C ATOM 1115 O ASP A 71 -17.431 -25.296 1.476 1.00 0.00 O ATOM 1116 CB ASP A 71 -14.579 -24.269 0.380 1.00 0.00 C ATOM 1117 CG ASP A 71 -15.246 -24.785 -0.880 1.00 0.00 C ATOM 1118 OD1 ASP A 71 -15.729 -23.955 -1.679 1.00 0.00 O ATOM 1119 OD2 ASP A 71 -15.286 -26.019 -1.067 1.00 0.00 O ATOM 0 H ASP A 71 -14.382 -23.596 3.117 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.286 -23.082 0.914 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.891 -23.465 0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.984 -25.066 0.825 1.00 0.00 H new ATOM 1124 N GLY A 72 -15.855 -25.508 3.068 1.00 0.00 N ATOM 1125 CA GLY A 72 -16.522 -26.630 3.701 1.00 0.00 C ATOM 1126 C GLY A 72 -15.685 -27.257 4.799 1.00 0.00 C ATOM 1127 O GLY A 72 -16.190 -27.552 5.883 1.00 0.00 O ATOM 0 H GLY A 72 -14.983 -25.221 3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -17.472 -26.296 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.752 -27.384 2.948 1.00 0.00 H new ATOM 1131 N HIS A 73 -14.402 -27.463 4.519 1.00 0.00 N ATOM 1132 CA HIS A 73 -13.494 -28.061 5.491 1.00 0.00 C ATOM 1133 C HIS A 73 -12.290 -27.156 5.737 1.00 0.00 C ATOM 1134 O HIS A 73 -12.143 -26.115 5.098 1.00 0.00 O ATOM 1135 CB HIS A 73 -13.025 -29.433 5.006 1.00 0.00 C ATOM 1136 CG HIS A 73 -14.000 -30.533 5.289 1.00 0.00 C ATOM 1137 ND1 HIS A 73 -13.782 -31.506 6.242 1.00 0.00 N ATOM 1138 CD2 HIS A 73 -15.205 -30.812 4.738 1.00 0.00 C ATOM 1139 CE1 HIS A 73 -14.810 -32.335 6.264 1.00 0.00 C ATOM 1140 NE2 HIS A 73 -15.688 -31.936 5.361 1.00 0.00 N ATOM 0 H HIS A 73 -13.968 -27.225 3.627 1.00 0.00 H new ATOM 0 HA HIS A 73 -14.034 -28.182 6.430 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -12.843 -29.387 3.932 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -12.073 -29.671 5.481 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -15.695 -30.254 3.954 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -14.915 -33.194 6.911 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -16.579 -32.389 5.160 1.00 0.00 H new ATOM 1149 N ALA A 74 -11.432 -27.561 6.667 1.00 0.00 N ATOM 1150 CA ALA A 74 -10.241 -26.788 6.996 1.00 0.00 C ATOM 1151 C ALA A 74 -9.143 -27.004 5.961 1.00 0.00 C ATOM 1152 O ALA A 74 -8.298 -26.134 5.749 1.00 0.00 O ATOM 1153 CB ALA A 74 -9.739 -27.157 8.385 1.00 0.00 C ATOM 0 H ALA A 74 -11.539 -28.420 7.206 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.510 -25.732 6.987 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.849 -26.572 8.618 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.515 -26.945 9.121 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.493 -28.218 8.413 1.00 0.00 H new ATOM 1159 N GLU A 75 -9.161 -28.168 5.319 1.00 0.00 N ATOM 1160 CA GLU A 75 -8.165 -28.497 4.306 1.00 0.00 C ATOM 1161 C GLU A 75 -7.964 -27.331 3.342 1.00 0.00 C ATOM 1162 O GLU A 75 -6.845 -26.856 3.152 1.00 0.00 O ATOM 1163 CB GLU A 75 -8.586 -29.747 3.532 1.00 0.00 C ATOM 1164 CG GLU A 75 -8.845 -30.954 4.418 1.00 0.00 C ATOM 1165 CD GLU A 75 -10.289 -31.047 4.871 1.00 0.00 C ATOM 1166 OE1 GLU A 75 -11.184 -31.070 4.001 1.00 0.00 O ATOM 1167 OE2 GLU A 75 -10.523 -31.096 6.097 1.00 0.00 O ATOM 0 H GLU A 75 -9.854 -28.898 5.482 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.220 -28.694 4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.489 -29.525 2.963 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.808 -29.997 2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.579 -31.861 3.876 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.196 -30.904 5.293 1.00 0.00 H new ATOM 1174 N ASN A 76 -9.056 -26.877 2.736 1.00 0.00 N ATOM 1175 CA ASN A 76 -9.000 -25.769 1.790 1.00 0.00 C ATOM 1176 C ASN A 76 -9.087 -24.430 2.516 1.00 0.00 C ATOM 1177 O ASN A 76 -8.747 -23.385 1.959 1.00 0.00 O ATOM 1178 CB ASN A 76 -10.135 -25.883 0.771 1.00 0.00 C ATOM 1179 CG ASN A 76 -11.362 -26.566 1.345 1.00 0.00 C ATOM 1180 OD1 ASN A 76 -11.726 -27.665 0.927 1.00 0.00 O ATOM 1181 ND2 ASN A 76 -12.004 -25.916 2.308 1.00 0.00 N ATOM 0 H ASN A 76 -9.990 -27.259 2.883 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.045 -25.818 1.267 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.407 -24.887 0.422 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.785 -26.441 -0.098 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.836 -26.326 2.733 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.666 -25.007 2.623 1.00 0.00 H new ATOM 1188 N LEU A 77 -9.543 -24.468 3.763 1.00 0.00 N ATOM 1189 CA LEU A 77 -9.675 -23.257 4.567 1.00 0.00 C ATOM 1190 C LEU A 77 -8.317 -22.595 4.780 1.00 0.00 C ATOM 1191 O LEU A 77 -7.314 -23.271 5.009 1.00 0.00 O ATOM 1192 CB LEU A 77 -10.312 -23.586 5.918 1.00 0.00 C ATOM 1193 CG LEU A 77 -10.926 -22.407 6.675 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -12.396 -22.251 6.318 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -10.756 -22.591 8.176 1.00 0.00 C ATOM 0 H LEU A 77 -9.828 -25.324 4.240 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.318 -22.561 4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.089 -24.334 5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.554 -24.044 6.553 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.403 -21.497 6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.816 -21.408 6.866 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.493 -22.073 5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.934 -23.161 6.585 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.198 -21.743 8.699 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -11.253 -23.510 8.489 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.695 -22.652 8.417 1.00 0.00 H new ATOM 1207 N VAL A 78 -8.293 -21.268 4.705 1.00 0.00 N ATOM 1208 CA VAL A 78 -7.059 -20.514 4.893 1.00 0.00 C ATOM 1209 C VAL A 78 -7.332 -19.173 5.564 1.00 0.00 C ATOM 1210 O VAL A 78 -8.205 -18.420 5.134 1.00 0.00 O ATOM 1211 CB VAL A 78 -6.342 -20.269 3.552 1.00 0.00 C ATOM 1212 CG1 VAL A 78 -5.166 -19.323 3.741 1.00 0.00 C ATOM 1213 CG2 VAL A 78 -5.885 -21.586 2.944 1.00 0.00 C ATOM 0 H VAL A 78 -9.114 -20.693 4.515 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.415 -21.114 5.536 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.046 -19.802 2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.671 -19.161 2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.525 -18.370 4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.458 -19.759 4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.380 -21.394 1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.197 -22.083 3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.750 -22.226 2.771 1.00 0.00 H new ATOM 1223 N GLN A 79 -6.579 -18.882 6.620 1.00 0.00 N ATOM 1224 CA GLN A 79 -6.740 -17.630 7.350 1.00 0.00 C ATOM 1225 C GLN A 79 -5.536 -16.718 7.141 1.00 0.00 C ATOM 1226 O GLN A 79 -4.401 -17.095 7.434 1.00 0.00 O ATOM 1227 CB GLN A 79 -6.931 -17.907 8.843 1.00 0.00 C ATOM 1228 CG GLN A 79 -8.249 -18.590 9.171 1.00 0.00 C ATOM 1229 CD GLN A 79 -8.180 -19.414 10.441 1.00 0.00 C ATOM 1230 OE1 GLN A 79 -7.537 -19.021 11.415 1.00 0.00 O ATOM 1231 NE2 GLN A 79 -8.843 -20.564 10.438 1.00 0.00 N ATOM 0 H GLN A 79 -5.852 -19.495 6.989 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.626 -17.126 6.964 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.110 -18.531 9.196 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.873 -16.965 9.389 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.029 -17.835 9.274 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.537 -19.234 8.340 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.363 -20.851 9.609 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.833 -21.161 11.265 1.00 0.00 H new ATOM 1240 N TRP A 80 -5.791 -15.518 6.632 1.00 0.00 N ATOM 1241 CA TRP A 80 -4.726 -14.552 6.383 1.00 0.00 C ATOM 1242 C TRP A 80 -5.182 -13.139 6.728 1.00 0.00 C ATOM 1243 O TRP A 80 -6.358 -12.805 6.586 1.00 0.00 O ATOM 1244 CB TRP A 80 -4.284 -14.616 4.920 1.00 0.00 C ATOM 1245 CG TRP A 80 -5.238 -13.941 3.981 1.00 0.00 C ATOM 1246 CD1 TRP A 80 -5.154 -12.664 3.505 1.00 0.00 C ATOM 1247 CD2 TRP A 80 -6.421 -14.509 3.407 1.00 0.00 C ATOM 1248 NE1 TRP A 80 -6.213 -12.403 2.669 1.00 0.00 N ATOM 1249 CE2 TRP A 80 -7.004 -13.519 2.592 1.00 0.00 C ATOM 1250 CE3 TRP A 80 -7.042 -15.757 3.500 1.00 0.00 C ATOM 1251 CZ2 TRP A 80 -8.179 -13.740 1.877 1.00 0.00 C ATOM 1252 CZ3 TRP A 80 -8.208 -15.975 2.790 1.00 0.00 C ATOM 1253 CH2 TRP A 80 -8.766 -14.972 1.987 1.00 0.00 C ATOM 0 H TRP A 80 -6.725 -15.191 6.384 1.00 0.00 H new ATOM 0 HA TRP A 80 -3.881 -14.807 7.022 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.302 -14.153 4.824 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -4.174 -15.660 4.626 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -4.370 -11.962 3.750 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.383 -11.522 2.185 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.619 -16.537 4.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.611 -12.967 1.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.697 -16.936 2.856 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.677 -15.175 1.444 1.00 0.00 H new ATOM 1264 N GLU A 81 -4.244 -12.313 7.181 1.00 0.00 N ATOM 1265 CA GLU A 81 -4.552 -10.936 7.547 1.00 0.00 C ATOM 1266 C GLU A 81 -3.998 -9.961 6.511 1.00 0.00 C ATOM 1267 O GLU A 81 -2.859 -10.094 6.065 1.00 0.00 O ATOM 1268 CB GLU A 81 -3.978 -10.610 8.927 1.00 0.00 C ATOM 1269 CG GLU A 81 -4.824 -11.132 10.076 1.00 0.00 C ATOM 1270 CD GLU A 81 -4.718 -10.268 11.318 1.00 0.00 C ATOM 1271 OE1 GLU A 81 -3.619 -10.209 11.907 1.00 0.00 O ATOM 1272 OE2 GLU A 81 -5.734 -9.650 11.700 1.00 0.00 O ATOM 0 H GLU A 81 -3.265 -12.573 7.303 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.636 -10.830 7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.976 -11.032 9.004 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.877 -9.529 9.023 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.866 -11.183 9.761 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.514 -12.149 10.318 1.00 0.00 H new ATOM 1279 N MET A 82 -4.814 -8.982 6.132 1.00 0.00 N ATOM 1280 CA MET A 82 -4.406 -7.985 5.150 1.00 0.00 C ATOM 1281 C MET A 82 -4.442 -6.584 5.751 1.00 0.00 C ATOM 1282 O MET A 82 -5.512 -6.003 5.928 1.00 0.00 O ATOM 1283 CB MET A 82 -5.313 -8.049 3.920 1.00 0.00 C ATOM 1284 CG MET A 82 -4.937 -9.152 2.944 1.00 0.00 C ATOM 1285 SD MET A 82 -6.006 -9.190 1.492 1.00 0.00 S ATOM 1286 CE MET A 82 -5.477 -7.704 0.644 1.00 0.00 C ATOM 0 H MET A 82 -5.761 -8.858 6.490 1.00 0.00 H new ATOM 0 HA MET A 82 -3.382 -8.205 4.849 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.343 -8.198 4.245 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.278 -7.090 3.403 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.904 -9.013 2.626 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.988 -10.115 3.453 1.00 0.00 H new ATOM 0 HE1 MET A 82 -6.275 -6.962 0.678 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.588 -7.303 1.132 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.245 -7.941 -0.394 1.00 0.00 H new ATOM 1296 N GLU A 83 -3.266 -6.047 6.062 1.00 0.00 N ATOM 1297 CA GLU A 83 -3.165 -4.714 6.644 1.00 0.00 C ATOM 1298 C GLU A 83 -2.796 -3.683 5.581 1.00 0.00 C ATOM 1299 O GLU A 83 -1.930 -3.924 4.740 1.00 0.00 O ATOM 1300 CB GLU A 83 -2.125 -4.701 7.766 1.00 0.00 C ATOM 1301 CG GLU A 83 -1.872 -3.319 8.345 1.00 0.00 C ATOM 1302 CD GLU A 83 -0.832 -3.330 9.448 1.00 0.00 C ATOM 1303 OE1 GLU A 83 0.360 -3.537 9.138 1.00 0.00 O ATOM 1304 OE2 GLU A 83 -1.210 -3.131 10.622 1.00 0.00 O ATOM 0 H GLU A 83 -2.371 -6.515 5.921 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.138 -4.451 7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.456 -5.365 8.564 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.186 -5.103 7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.545 -2.650 7.549 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.806 -2.916 8.736 1.00 0.00 H new ATOM 1311 N VAL A 84 -3.461 -2.533 5.625 1.00 0.00 N ATOM 1312 CA VAL A 84 -3.204 -1.464 4.668 1.00 0.00 C ATOM 1313 C VAL A 84 -2.187 -0.469 5.214 1.00 0.00 C ATOM 1314 O VAL A 84 -2.540 0.457 5.946 1.00 0.00 O ATOM 1315 CB VAL A 84 -4.499 -0.711 4.306 1.00 0.00 C ATOM 1316 CG1 VAL A 84 -4.219 0.363 3.266 1.00 0.00 C ATOM 1317 CG2 VAL A 84 -5.559 -1.683 3.810 1.00 0.00 C ATOM 0 H VAL A 84 -4.182 -2.318 6.314 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.802 -1.934 3.770 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.879 -0.223 5.204 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.145 0.884 3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.496 1.075 3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.815 -0.099 2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.467 -1.134 3.559 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.192 -2.201 2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.779 -2.411 4.591 1.00 0.00 H new ATOM 1327 N CYS A 85 -0.923 -0.666 4.854 1.00 0.00 N ATOM 1328 CA CYS A 85 0.147 0.215 5.309 1.00 0.00 C ATOM 1329 C CYS A 85 -0.137 1.662 4.920 1.00 0.00 C ATOM 1330 O CYS A 85 -1.067 1.942 4.163 1.00 0.00 O ATOM 1331 CB CYS A 85 1.486 -0.231 4.720 1.00 0.00 C ATOM 1332 SG CYS A 85 2.919 0.197 5.737 1.00 0.00 S ATOM 0 H CYS A 85 -0.614 -1.427 4.249 1.00 0.00 H new ATOM 0 HA CYS A 85 0.197 0.154 6.396 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.466 -1.311 4.576 1.00 0.00 H new ATOM 0 HB3 CYS A 85 1.606 0.220 3.735 1.00 0.00 H new ATOM 0 HG CYS A 85 4.004 -0.223 5.157 1.00 0.00 H new ATOM 1466 N ASN A 93 -0.794 1.972 -1.169 1.00 0.00 N ATOM 1467 CA ASN A 93 -1.142 1.329 0.094 1.00 0.00 C ATOM 1468 C ASN A 93 -0.474 -0.037 0.211 1.00 0.00 C ATOM 1469 O ASN A 93 -0.798 -0.964 -0.531 1.00 0.00 O ATOM 1470 CB ASN A 93 -2.660 1.179 0.213 1.00 0.00 C ATOM 1471 CG ASN A 93 -3.177 -0.054 -0.503 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -3.545 -1.044 0.130 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -3.207 0.001 -1.829 1.00 0.00 N ATOM 0 HA ASN A 93 -0.782 1.961 0.906 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.936 1.127 1.266 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.143 2.065 -0.199 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.545 -0.798 -2.365 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.892 0.843 -2.312 1.00 0.00 H new ATOM 1480 N GLY A 94 0.461 -0.155 1.149 1.00 0.00 N ATOM 1481 CA GLY A 94 1.160 -1.411 1.347 1.00 0.00 C ATOM 1482 C GLY A 94 0.224 -2.541 1.731 1.00 0.00 C ATOM 1483 O GLY A 94 -0.376 -2.521 2.805 1.00 0.00 O ATOM 0 H GLY A 94 0.747 0.597 1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.689 -1.677 0.432 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.912 -1.286 2.126 1.00 0.00 H new ATOM 1487 N VAL A 95 0.098 -3.528 0.849 1.00 0.00 N ATOM 1488 CA VAL A 95 -0.772 -4.671 1.101 1.00 0.00 C ATOM 1489 C VAL A 95 0.031 -5.964 1.184 1.00 0.00 C ATOM 1490 O VAL A 95 0.558 -6.445 0.181 1.00 0.00 O ATOM 1491 CB VAL A 95 -1.843 -4.813 0.004 1.00 0.00 C ATOM 1492 CG1 VAL A 95 -2.774 -5.976 0.313 1.00 0.00 C ATOM 1493 CG2 VAL A 95 -2.626 -3.518 -0.147 1.00 0.00 C ATOM 0 H VAL A 95 0.587 -3.559 -0.046 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.264 -4.491 2.057 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.343 -5.021 -0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.524 -6.060 -0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.197 -6.900 0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.268 -5.802 1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.379 -3.637 -0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.116 -3.277 0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.946 -2.711 -0.419 1.00 0.00 H new ATOM 1503 N ARG A 96 0.119 -6.523 2.386 1.00 0.00 N ATOM 1504 CA ARG A 96 0.858 -7.762 2.601 1.00 0.00 C ATOM 1505 C ARG A 96 -0.094 -8.922 2.875 1.00 0.00 C ATOM 1506 O ARG A 96 -1.259 -8.716 3.215 1.00 0.00 O ATOM 1507 CB ARG A 96 1.834 -7.602 3.767 1.00 0.00 C ATOM 1508 CG ARG A 96 2.805 -6.445 3.595 1.00 0.00 C ATOM 1509 CD ARG A 96 4.057 -6.875 2.847 1.00 0.00 C ATOM 1510 NE ARG A 96 5.119 -5.876 2.936 1.00 0.00 N ATOM 1511 CZ ARG A 96 5.223 -4.840 2.112 1.00 0.00 C ATOM 1512 NH1 ARG A 96 4.335 -4.667 1.142 1.00 0.00 N ATOM 1513 NH2 ARG A 96 6.217 -3.973 2.257 1.00 0.00 N ATOM 0 H ARG A 96 -0.312 -6.138 3.226 1.00 0.00 H new ATOM 0 HA ARG A 96 1.420 -7.983 1.694 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.267 -7.456 4.687 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.400 -8.526 3.885 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.316 -5.636 3.053 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.081 -6.052 4.573 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.415 -7.821 3.253 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.811 -7.050 1.800 1.00 0.00 H new ATOM 0 HE ARG A 96 5.819 -5.980 3.671 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.569 -5.331 1.027 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.418 -3.870 0.511 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.902 -4.102 3.002 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.296 -3.177 1.624 1.00 0.00 H new ATOM 1527 N PHE A 97 0.410 -10.143 2.723 1.00 0.00 N ATOM 1528 CA PHE A 97 -0.395 -11.336 2.953 1.00 0.00 C ATOM 1529 C PHE A 97 0.307 -12.289 3.917 1.00 0.00 C ATOM 1530 O PHE A 97 1.345 -12.865 3.593 1.00 0.00 O ATOM 1531 CB PHE A 97 -0.678 -12.049 1.629 1.00 0.00 C ATOM 1532 CG PHE A 97 -1.892 -11.528 0.915 1.00 0.00 C ATOM 1533 CD1 PHE A 97 -1.967 -10.201 0.525 1.00 0.00 C ATOM 1534 CD2 PHE A 97 -2.959 -12.366 0.634 1.00 0.00 C ATOM 1535 CE1 PHE A 97 -3.082 -9.718 -0.132 1.00 0.00 C ATOM 1536 CE2 PHE A 97 -4.077 -11.889 -0.024 1.00 0.00 C ATOM 1537 CZ PHE A 97 -4.140 -10.564 -0.406 1.00 0.00 C ATOM 0 H PHE A 97 1.372 -10.331 2.442 1.00 0.00 H new ATOM 0 HA PHE A 97 -1.339 -11.026 3.400 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.189 -11.945 0.977 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.808 -13.114 1.820 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.143 -9.536 0.737 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.917 -13.403 0.932 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.127 -8.681 -0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.901 -12.553 -0.239 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.014 -10.189 -0.918 1.00 0.00 H new ATOM 1547 N LYS A 98 -0.268 -12.449 5.104 1.00 0.00 N ATOM 1548 CA LYS A 98 0.300 -13.331 6.117 1.00 0.00 C ATOM 1549 C LYS A 98 -0.560 -14.578 6.296 1.00 0.00 C ATOM 1550 O LYS A 98 -1.786 -14.494 6.357 1.00 0.00 O ATOM 1551 CB LYS A 98 0.430 -12.592 7.451 1.00 0.00 C ATOM 1552 CG LYS A 98 1.590 -13.077 8.304 1.00 0.00 C ATOM 1553 CD LYS A 98 1.238 -14.351 9.052 1.00 0.00 C ATOM 1554 CE LYS A 98 0.506 -14.050 10.352 1.00 0.00 C ATOM 1555 NZ LYS A 98 1.425 -13.516 11.395 1.00 0.00 N ATOM 0 H LYS A 98 -1.128 -11.979 5.388 1.00 0.00 H new ATOM 0 HA LYS A 98 1.290 -13.639 5.781 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.554 -11.527 7.256 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.497 -12.708 8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.459 -13.254 7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.868 -12.301 9.017 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.615 -14.985 8.421 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.148 -14.911 9.267 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.288 -13.327 10.163 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.029 -14.959 10.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.948 -13.531 12.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.281 -14.105 11.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.689 -12.539 11.157 1.00 0.00 H new ATOM 1569 N ARG A 99 0.092 -15.733 6.380 1.00 0.00 N ATOM 1570 CA ARG A 99 -0.613 -16.997 6.553 1.00 0.00 C ATOM 1571 C ARG A 99 -0.802 -17.317 8.033 1.00 0.00 C ATOM 1572 O ARG A 99 0.061 -17.932 8.660 1.00 0.00 O ATOM 1573 CB ARG A 99 0.154 -18.131 5.869 1.00 0.00 C ATOM 1574 CG ARG A 99 -0.457 -19.504 6.098 1.00 0.00 C ATOM 1575 CD ARG A 99 0.310 -20.586 5.353 1.00 0.00 C ATOM 1576 NE ARG A 99 1.634 -20.812 5.927 1.00 0.00 N ATOM 1577 CZ ARG A 99 1.860 -21.620 6.957 1.00 0.00 C ATOM 1578 NH1 ARG A 99 0.855 -22.275 7.523 1.00 0.00 N ATOM 1579 NH2 ARG A 99 3.093 -21.774 7.422 1.00 0.00 N ATOM 0 H ARG A 99 1.107 -15.819 6.331 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.596 -16.902 6.092 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.196 -17.935 4.798 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.181 -18.135 6.233 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -0.461 -19.728 7.165 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.496 -19.501 5.769 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.259 -21.515 5.377 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.413 -20.302 4.306 1.00 0.00 H new ATOM 0 HE ARG A 99 2.428 -20.323 5.515 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.094 -22.159 7.168 1.00 0.00 H new ATOM 0 HH12 ARG A 99 1.031 -22.895 8.314 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.868 -21.272 6.989 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.266 -22.394 8.213 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.935 -16.896 8.584 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.237 -17.138 9.989 1.00 0.00 C ATOM 1595 C ILE A 100 -2.567 -18.606 10.235 1.00 0.00 C ATOM 1596 O ILE A 100 -2.212 -19.168 11.271 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.415 -16.271 10.469 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -2.993 -14.803 10.559 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -3.922 -16.765 11.816 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -3.209 -14.033 9.275 1.00 0.00 C ATOM 0 H ILE A 100 -2.659 -16.385 8.079 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.345 -16.869 10.555 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.226 -16.353 9.745 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.552 -14.321 11.361 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.939 -14.752 10.831 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.755 -16.142 12.142 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.257 -17.798 11.722 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.118 -16.709 12.550 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.888 -13.000 9.412 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.628 -14.491 8.474 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.267 -14.052 9.013 1.00 0.00 H new ATOM 1612 N SER A 101 -3.248 -19.223 9.275 1.00 0.00 N ATOM 1613 CA SER A 101 -3.628 -20.627 9.388 1.00 0.00 C ATOM 1614 C SER A 101 -4.033 -21.191 8.029 1.00 0.00 C ATOM 1615 O SER A 101 -4.324 -20.444 7.096 1.00 0.00 O ATOM 1616 CB SER A 101 -4.779 -20.786 10.383 1.00 0.00 C ATOM 1617 OG SER A 101 -4.733 -22.053 11.017 1.00 0.00 O ATOM 0 H SER A 101 -3.548 -18.773 8.410 1.00 0.00 H new ATOM 0 HA SER A 101 -2.764 -21.185 9.750 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.726 -19.998 11.134 1.00 0.00 H new ATOM 0 HB3 SER A 101 -5.731 -20.669 9.865 1.00 0.00 H new ATOM 0 HG SER A 101 -5.478 -22.130 11.649 1.00 0.00 H new ATOM 1623 N GLY A 102 -4.050 -22.516 7.927 1.00 0.00 N ATOM 1624 CA GLY A 102 -4.420 -23.160 6.680 1.00 0.00 C ATOM 1625 C GLY A 102 -3.232 -23.781 5.973 1.00 0.00 C ATOM 1626 O GLY A 102 -2.296 -24.257 6.616 1.00 0.00 O ATOM 0 H GLY A 102 -3.814 -23.156 8.686 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.164 -23.931 6.880 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.889 -22.428 6.022 1.00 0.00 H new ATOM 1630 N THR A 103 -3.268 -23.780 4.644 1.00 0.00 N ATOM 1631 CA THR A 103 -2.188 -24.350 3.849 1.00 0.00 C ATOM 1632 C THR A 103 -1.524 -23.288 2.980 1.00 0.00 C ATOM 1633 O THR A 103 -2.139 -22.277 2.641 1.00 0.00 O ATOM 1634 CB THR A 103 -2.697 -25.491 2.947 1.00 0.00 C ATOM 1635 OG1 THR A 103 -3.867 -25.069 2.237 1.00 0.00 O ATOM 1636 CG2 THR A 103 -3.014 -26.730 3.769 1.00 0.00 C ATOM 0 H THR A 103 -4.035 -23.390 4.095 1.00 0.00 H new ATOM 0 HA THR A 103 -1.456 -24.750 4.551 1.00 0.00 H new ATOM 0 HB THR A 103 -1.911 -25.740 2.234 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.183 -25.799 1.665 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.371 -27.522 3.111 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.114 -27.065 4.284 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.784 -26.493 4.503 1.00 0.00 H new ATOM 1644 N SER A 104 -0.266 -23.523 2.624 1.00 0.00 N ATOM 1645 CA SER A 104 0.483 -22.584 1.796 1.00 0.00 C ATOM 1646 C SER A 104 -0.083 -22.537 0.381 1.00 0.00 C ATOM 1647 O SER A 104 -0.472 -21.475 -0.109 1.00 0.00 O ATOM 1648 CB SER A 104 1.961 -22.976 1.754 1.00 0.00 C ATOM 1649 OG SER A 104 2.123 -24.375 1.908 1.00 0.00 O ATOM 0 H SER A 104 0.257 -24.356 2.896 1.00 0.00 H new ATOM 0 HA SER A 104 0.390 -21.592 2.239 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.398 -22.658 0.807 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.501 -22.455 2.545 1.00 0.00 H new ATOM 0 HG SER A 104 3.076 -24.599 1.876 1.00 0.00 H new ATOM 1655 N ILE A 105 -0.127 -23.693 -0.272 1.00 0.00 N ATOM 1656 CA ILE A 105 -0.646 -23.784 -1.631 1.00 0.00 C ATOM 1657 C ILE A 105 -1.851 -22.869 -1.821 1.00 0.00 C ATOM 1658 O ILE A 105 -1.802 -21.917 -2.600 1.00 0.00 O ATOM 1659 CB ILE A 105 -1.052 -25.228 -1.983 1.00 0.00 C ATOM 1660 CG1 ILE A 105 0.192 -26.092 -2.199 1.00 0.00 C ATOM 1661 CG2 ILE A 105 -1.935 -25.242 -3.221 1.00 0.00 C ATOM 1662 CD1 ILE A 105 1.143 -25.534 -3.234 1.00 0.00 C ATOM 0 H ILE A 105 0.191 -24.580 0.118 1.00 0.00 H new ATOM 0 HA ILE A 105 0.157 -23.468 -2.297 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.620 -25.644 -1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.720 -26.197 -1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.118 -27.091 -2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.214 -26.269 -3.457 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.835 -24.656 -3.033 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.390 -24.811 -4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 105 2.002 -26.198 -3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 105 0.631 -25.455 -4.193 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.483 -24.547 -2.921 1.00 0.00 H new ATOM 1674 N ALA A 106 -2.930 -23.163 -1.104 1.00 0.00 N ATOM 1675 CA ALA A 106 -4.146 -22.364 -1.191 1.00 0.00 C ATOM 1676 C ALA A 106 -3.877 -20.911 -0.812 1.00 0.00 C ATOM 1677 O ALA A 106 -4.323 -19.988 -1.495 1.00 0.00 O ATOM 1678 CB ALA A 106 -5.229 -22.952 -0.299 1.00 0.00 C ATOM 0 H ALA A 106 -2.987 -23.949 -0.456 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.491 -22.385 -2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.131 -22.345 -0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.449 -23.971 -0.618 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.883 -22.962 0.735 1.00 0.00 H new ATOM 1684 N PHE A 107 -3.145 -20.715 0.280 1.00 0.00 N ATOM 1685 CA PHE A 107 -2.818 -19.374 0.750 1.00 0.00 C ATOM 1686 C PHE A 107 -2.381 -18.483 -0.409 1.00 0.00 C ATOM 1687 O PHE A 107 -2.732 -17.305 -0.468 1.00 0.00 O ATOM 1688 CB PHE A 107 -1.713 -19.437 1.806 1.00 0.00 C ATOM 1689 CG PHE A 107 -1.281 -18.086 2.303 1.00 0.00 C ATOM 1690 CD1 PHE A 107 -1.979 -17.452 3.318 1.00 0.00 C ATOM 1691 CD2 PHE A 107 -0.179 -17.452 1.754 1.00 0.00 C ATOM 1692 CE1 PHE A 107 -1.584 -16.209 3.778 1.00 0.00 C ATOM 1693 CE2 PHE A 107 0.221 -16.209 2.210 1.00 0.00 C ATOM 1694 CZ PHE A 107 -0.483 -15.587 3.222 1.00 0.00 C ATOM 0 H PHE A 107 -2.767 -21.468 0.856 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.714 -18.944 1.197 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.062 -20.031 2.650 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.850 -19.954 1.387 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.841 -17.934 3.755 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.374 -17.933 0.961 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.135 -15.725 4.571 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.083 -15.725 1.775 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.173 -14.616 3.578 1.00 0.00 H new ATOM 1704 N LYS A 108 -1.610 -19.054 -1.328 1.00 0.00 N ATOM 1705 CA LYS A 108 -1.123 -18.314 -2.486 1.00 0.00 C ATOM 1706 C LYS A 108 -2.117 -18.396 -3.641 1.00 0.00 C ATOM 1707 O LYS A 108 -2.510 -17.377 -4.206 1.00 0.00 O ATOM 1708 CB LYS A 108 0.237 -18.858 -2.930 1.00 0.00 C ATOM 1709 CG LYS A 108 1.353 -18.591 -1.935 1.00 0.00 C ATOM 1710 CD LYS A 108 2.439 -19.650 -2.019 1.00 0.00 C ATOM 1711 CE LYS A 108 3.232 -19.534 -3.311 1.00 0.00 C ATOM 1712 NZ LYS A 108 4.485 -20.337 -3.267 1.00 0.00 N ATOM 0 H LYS A 108 -1.309 -20.028 -1.293 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.013 -17.269 -2.198 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.154 -19.933 -3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.502 -18.412 -3.889 1.00 0.00 H new ATOM 0 HG2 LYS A 108 1.785 -17.609 -2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.944 -18.568 -0.925 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.112 -19.551 -1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.988 -20.640 -1.955 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.616 -19.868 -4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 108 3.477 -18.488 -3.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 4.997 -20.231 -4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 5.085 -20.002 -2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 4.250 -21.339 -3.118 1.00 0.00 H new ATOM 1726 N ASN A 109 -2.519 -19.615 -3.984 1.00 0.00 N ATOM 1727 CA ASN A 109 -3.468 -19.829 -5.071 1.00 0.00 C ATOM 1728 C ASN A 109 -4.638 -18.856 -4.971 1.00 0.00 C ATOM 1729 O ASN A 109 -5.182 -18.417 -5.985 1.00 0.00 O ATOM 1730 CB ASN A 109 -3.984 -21.269 -5.049 1.00 0.00 C ATOM 1731 CG ASN A 109 -3.068 -22.224 -5.790 1.00 0.00 C ATOM 1732 OD1 ASN A 109 -3.105 -22.309 -7.018 1.00 0.00 O ATOM 1733 ND2 ASN A 109 -2.240 -22.948 -5.045 1.00 0.00 N ATOM 0 H ASN A 109 -2.203 -20.470 -3.526 1.00 0.00 H new ATOM 0 HA ASN A 109 -2.950 -19.650 -6.013 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.088 -21.599 -4.015 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -4.978 -21.303 -5.496 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -1.600 -23.608 -5.488 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -2.244 -22.844 -4.030 1.00 0.00 H new ATOM 1740 N ILE A 110 -5.019 -18.522 -3.743 1.00 0.00 N ATOM 1741 CA ILE A 110 -6.124 -17.599 -3.511 1.00 0.00 C ATOM 1742 C ILE A 110 -5.634 -16.155 -3.471 1.00 0.00 C ATOM 1743 O ILE A 110 -6.372 -15.230 -3.810 1.00 0.00 O ATOM 1744 CB ILE A 110 -6.856 -17.917 -2.194 1.00 0.00 C ATOM 1745 CG1 ILE A 110 -8.070 -17.001 -2.026 1.00 0.00 C ATOM 1746 CG2 ILE A 110 -5.909 -17.772 -1.013 1.00 0.00 C ATOM 1747 CD1 ILE A 110 -9.189 -17.297 -2.999 1.00 0.00 C ATOM 0 H ILE A 110 -4.579 -18.876 -2.893 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.818 -17.722 -4.342 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.205 -18.949 -2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.449 -17.097 -1.009 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -7.754 -15.965 -2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.441 -18.000 -0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.073 -18.462 -1.130 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.533 -16.750 -0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.016 -16.610 -2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -8.826 -17.173 -4.019 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.532 -18.322 -2.858 1.00 0.00 H new ATOM 1759 N ALA A 111 -4.385 -15.971 -3.057 1.00 0.00 N ATOM 1760 CA ALA A 111 -3.796 -14.640 -2.977 1.00 0.00 C ATOM 1761 C ALA A 111 -3.657 -14.017 -4.362 1.00 0.00 C ATOM 1762 O ALA A 111 -3.929 -12.831 -4.550 1.00 0.00 O ATOM 1763 CB ALA A 111 -2.441 -14.704 -2.287 1.00 0.00 C ATOM 0 H ALA A 111 -3.762 -16.726 -2.772 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.462 -14.009 -2.389 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.012 -13.703 -2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.564 -15.100 -1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -1.775 -15.355 -2.853 1.00 0.00 H new ATOM 1769 N SER A 112 -3.231 -14.824 -5.329 1.00 0.00 N ATOM 1770 CA SER A 112 -3.051 -14.350 -6.696 1.00 0.00 C ATOM 1771 C SER A 112 -4.364 -13.821 -7.265 1.00 0.00 C ATOM 1772 O SER A 112 -4.379 -12.864 -8.039 1.00 0.00 O ATOM 1773 CB SER A 112 -2.516 -15.476 -7.583 1.00 0.00 C ATOM 1774 OG SER A 112 -1.916 -14.959 -8.758 1.00 0.00 O ATOM 0 H SER A 112 -3.004 -15.809 -5.191 1.00 0.00 H new ATOM 0 HA SER A 112 -2.327 -13.535 -6.679 1.00 0.00 H new ATOM 0 HB2 SER A 112 -1.786 -16.065 -7.027 1.00 0.00 H new ATOM 0 HB3 SER A 112 -3.330 -16.149 -7.853 1.00 0.00 H new ATOM 0 HG SER A 112 -1.581 -15.699 -9.307 1.00 0.00 H new ATOM 1780 N LYS A 113 -5.467 -14.452 -6.875 1.00 0.00 N ATOM 1781 CA LYS A 113 -6.787 -14.046 -7.343 1.00 0.00 C ATOM 1782 C LYS A 113 -7.184 -12.698 -6.750 1.00 0.00 C ATOM 1783 O LYS A 113 -7.363 -11.719 -7.475 1.00 0.00 O ATOM 1784 CB LYS A 113 -7.829 -15.104 -6.974 1.00 0.00 C ATOM 1785 CG LYS A 113 -7.500 -16.491 -7.498 1.00 0.00 C ATOM 1786 CD LYS A 113 -7.791 -16.609 -8.985 1.00 0.00 C ATOM 1787 CE LYS A 113 -7.399 -17.977 -9.523 1.00 0.00 C ATOM 1788 NZ LYS A 113 -8.482 -18.980 -9.329 1.00 0.00 N ATOM 0 H LYS A 113 -5.473 -15.247 -6.236 1.00 0.00 H new ATOM 0 HA LYS A 113 -6.746 -13.948 -8.428 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -7.922 -15.147 -5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -8.799 -14.798 -7.365 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -6.448 -16.711 -7.314 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -8.081 -17.234 -6.952 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -8.852 -16.437 -9.164 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -7.247 -15.835 -9.526 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -7.165 -17.896 -10.584 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -6.493 -18.319 -9.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -8.176 -19.899 -9.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -8.689 -19.076 -8.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -9.339 -18.667 -9.829 1.00 0.00 H new ATOM 1802 N ILE A 114 -7.319 -12.654 -5.429 1.00 0.00 N ATOM 1803 CA ILE A 114 -7.692 -11.425 -4.740 1.00 0.00 C ATOM 1804 C ILE A 114 -7.033 -10.211 -5.386 1.00 0.00 C ATOM 1805 O ILE A 114 -7.665 -9.169 -5.561 1.00 0.00 O ATOM 1806 CB ILE A 114 -7.303 -11.474 -3.251 1.00 0.00 C ATOM 1807 CG1 ILE A 114 -7.995 -12.650 -2.559 1.00 0.00 C ATOM 1808 CG2 ILE A 114 -7.661 -10.164 -2.566 1.00 0.00 C ATOM 1809 CD1 ILE A 114 -9.499 -12.644 -2.717 1.00 0.00 C ATOM 0 H ILE A 114 -7.176 -13.455 -4.814 1.00 0.00 H new ATOM 0 HA ILE A 114 -8.775 -11.334 -4.821 1.00 0.00 H new ATOM 0 HB ILE A 114 -6.225 -11.617 -3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.599 -13.582 -2.962 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -7.749 -12.632 -1.497 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -7.380 -10.215 -1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -7.126 -9.344 -3.046 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.734 -9.993 -2.647 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -9.922 -13.506 -2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.906 -11.728 -2.288 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.754 -12.693 -3.776 1.00 0.00 H new ATOM 1821 N ALA A 115 -5.761 -10.354 -5.741 1.00 0.00 N ATOM 1822 CA ALA A 115 -5.017 -9.270 -6.371 1.00 0.00 C ATOM 1823 C ALA A 115 -5.651 -8.870 -7.699 1.00 0.00 C ATOM 1824 O ALA A 115 -5.917 -7.693 -7.940 1.00 0.00 O ATOM 1825 CB ALA A 115 -3.566 -9.677 -6.579 1.00 0.00 C ATOM 0 H ALA A 115 -5.224 -11.210 -5.603 1.00 0.00 H new ATOM 0 HA ALA A 115 -5.049 -8.406 -5.707 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -3.022 -8.858 -7.050 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -3.111 -9.908 -5.616 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.523 -10.557 -7.220 1.00 0.00 H new ATOM 1831 N ASN A 116 -5.890 -9.856 -8.557 1.00 0.00 N ATOM 1832 CA ASN A 116 -6.492 -9.605 -9.862 1.00 0.00 C ATOM 1833 C ASN A 116 -7.692 -8.672 -9.737 1.00 0.00 C ATOM 1834 O ASN A 116 -7.814 -7.700 -10.481 1.00 0.00 O ATOM 1835 CB ASN A 116 -6.922 -10.923 -10.510 1.00 0.00 C ATOM 1836 CG ASN A 116 -8.394 -11.219 -10.296 1.00 0.00 C ATOM 1837 OD1 ASN A 116 -9.258 -10.415 -10.647 1.00 0.00 O ATOM 1838 ND2 ASN A 116 -8.687 -12.377 -9.717 1.00 0.00 N ATOM 0 H ASN A 116 -5.676 -10.836 -8.373 1.00 0.00 H new ATOM 0 HA ASN A 116 -5.745 -9.124 -10.493 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.714 -10.884 -11.579 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -6.327 -11.738 -10.099 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -9.660 -12.630 -9.547 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -7.939 -13.014 -9.442 1.00 0.00 H new ATOM 1845 N GLU A 117 -8.574 -8.974 -8.790 1.00 0.00 N ATOM 1846 CA GLU A 117 -9.764 -8.161 -8.568 1.00 0.00 C ATOM 1847 C GLU A 117 -9.387 -6.762 -8.089 1.00 0.00 C ATOM 1848 O GLU A 117 -9.989 -5.770 -8.500 1.00 0.00 O ATOM 1849 CB GLU A 117 -10.683 -8.832 -7.544 1.00 0.00 C ATOM 1850 CG GLU A 117 -10.838 -10.328 -7.753 1.00 0.00 C ATOM 1851 CD GLU A 117 -12.224 -10.827 -7.392 1.00 0.00 C ATOM 1852 OE1 GLU A 117 -13.191 -10.052 -7.540 1.00 0.00 O ATOM 1853 OE2 GLU A 117 -12.340 -11.994 -6.963 1.00 0.00 O ATOM 0 H GLU A 117 -8.487 -9.775 -8.165 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.293 -8.071 -9.517 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.290 -8.652 -6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.666 -8.364 -7.589 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.629 -10.569 -8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.098 -10.854 -7.150 1.00 0.00 H new ATOM 1860 N LEU A 118 -8.386 -6.692 -7.219 1.00 0.00 N ATOM 1861 CA LEU A 118 -7.926 -5.415 -6.683 1.00 0.00 C ATOM 1862 C LEU A 118 -6.983 -4.721 -7.661 1.00 0.00 C ATOM 1863 O LEU A 118 -6.276 -3.781 -7.298 1.00 0.00 O ATOM 1864 CB LEU A 118 -7.223 -5.626 -5.341 1.00 0.00 C ATOM 1865 CG LEU A 118 -8.126 -5.658 -4.108 1.00 0.00 C ATOM 1866 CD1 LEU A 118 -7.446 -6.398 -2.967 1.00 0.00 C ATOM 1867 CD2 LEU A 118 -8.499 -4.245 -3.683 1.00 0.00 C ATOM 0 H LEU A 118 -7.877 -7.504 -6.869 1.00 0.00 H new ATOM 0 HA LEU A 118 -8.797 -4.777 -6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.671 -6.565 -5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.489 -4.831 -5.209 1.00 0.00 H new ATOM 0 HG LEU A 118 -9.041 -6.192 -4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.104 -6.410 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.231 -7.422 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.515 -5.893 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.142 -4.287 -2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -7.594 -3.686 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -9.028 -3.748 -4.496 1.00 0.00 H new ATOM 1879 N LYS A 119 -6.980 -5.190 -8.904 1.00 0.00 N ATOM 1880 CA LYS A 119 -6.127 -4.614 -9.937 1.00 0.00 C ATOM 1881 C LYS A 119 -4.730 -4.331 -9.394 1.00 0.00 C ATOM 1882 O LYS A 119 -4.138 -3.290 -9.685 1.00 0.00 O ATOM 1883 CB LYS A 119 -6.746 -3.323 -10.478 1.00 0.00 C ATOM 1884 CG LYS A 119 -8.150 -3.507 -11.029 1.00 0.00 C ATOM 1885 CD LYS A 119 -8.143 -4.314 -12.316 1.00 0.00 C ATOM 1886 CE LYS A 119 -7.976 -3.419 -13.534 1.00 0.00 C ATOM 1887 NZ LYS A 119 -8.069 -4.189 -14.805 1.00 0.00 N ATOM 0 H LYS A 119 -7.559 -5.968 -9.221 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.043 -5.337 -10.748 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.772 -2.580 -9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -6.105 -2.924 -11.264 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -8.770 -4.010 -10.287 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -8.600 -2.532 -11.213 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -7.333 -5.043 -12.285 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -9.074 -4.875 -12.400 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -8.742 -2.643 -13.522 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -7.011 -2.915 -13.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -7.950 -3.543 -15.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -7.322 -4.913 -14.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -9.000 -4.650 -14.865 1.00 0.00 H new ATOM 1901 N LEU A 120 -4.207 -5.263 -8.605 1.00 0.00 N ATOM 1902 CA LEU A 120 -2.878 -5.114 -8.022 1.00 0.00 C ATOM 1903 C LEU A 120 -1.805 -5.641 -8.969 1.00 0.00 C ATOM 1904 O LEU A 120 -2.110 -6.122 -10.061 1.00 0.00 O ATOM 1905 CB LEU A 120 -2.801 -5.853 -6.684 1.00 0.00 C ATOM 1906 CG LEU A 120 -3.695 -5.313 -5.567 1.00 0.00 C ATOM 1907 CD1 LEU A 120 -3.765 -6.304 -4.415 1.00 0.00 C ATOM 1908 CD2 LEU A 120 -3.186 -3.964 -5.082 1.00 0.00 C ATOM 0 H LEU A 120 -4.683 -6.130 -8.354 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.699 -4.052 -7.855 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.057 -6.899 -6.854 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.768 -5.830 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.701 -5.177 -5.965 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.405 -5.904 -3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.176 -7.248 -4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.764 -6.471 -4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.834 -3.595 -4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.171 -4.074 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.188 -3.255 -5.910 1.00 0.00 H new ATOM 1920 N SER A 121 -0.550 -5.550 -8.543 1.00 0.00 N ATOM 1921 CA SER A 121 0.569 -6.016 -9.355 1.00 0.00 C ATOM 1922 C SER A 121 0.288 -7.405 -9.920 1.00 0.00 C ATOM 1923 O SER A 121 0.375 -7.626 -11.127 1.00 0.00 O ATOM 1924 CB SER A 121 1.853 -6.041 -8.524 1.00 0.00 C ATOM 1925 OG SER A 121 2.994 -5.857 -9.344 1.00 0.00 O ATOM 0 H SER A 121 -0.282 -5.158 -7.640 1.00 0.00 H new ATOM 0 HA SER A 121 0.696 -5.323 -10.187 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.815 -5.258 -7.767 1.00 0.00 H new ATOM 0 HB3 SER A 121 1.930 -6.992 -7.996 1.00 0.00 H new ATOM 0 HG SER A 121 3.802 -5.875 -8.789 1.00 0.00 H new ATOM 1931 N GLY A 122 -0.050 -8.340 -9.036 1.00 0.00 N ATOM 1932 CA GLY A 122 -0.339 -9.696 -9.464 1.00 0.00 C ATOM 1933 C GLY A 122 0.891 -10.413 -9.986 1.00 0.00 C ATOM 1934 O GLY A 122 1.073 -10.579 -11.192 1.00 0.00 O ATOM 0 H GLY A 122 -0.129 -8.182 -8.031 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.755 -10.257 -8.627 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -1.101 -9.673 -10.243 1.00 0.00 H new ATOM 1938 N PRO A 123 1.761 -10.850 -9.064 1.00 0.00 N ATOM 1939 CA PRO A 123 2.996 -11.559 -9.414 1.00 0.00 C ATOM 1940 C PRO A 123 2.726 -12.956 -9.964 1.00 0.00 C ATOM 1941 O PRO A 123 1.633 -13.498 -9.799 1.00 0.00 O ATOM 1942 CB PRO A 123 3.746 -11.644 -8.083 1.00 0.00 C ATOM 1943 CG PRO A 123 2.681 -11.574 -7.043 1.00 0.00 C ATOM 1944 CD PRO A 123 1.608 -10.686 -7.609 1.00 0.00 C ATOM 0 HA PRO A 123 3.552 -11.047 -10.199 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.313 -12.572 -8.007 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.458 -10.825 -7.977 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.289 -12.566 -6.819 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.072 -11.168 -6.110 1.00 0.00 H new ATOM 0 HD2 PRO A 123 0.617 -10.989 -7.273 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.744 -9.648 -7.305 1.00 0.00 H new